USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=13 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 Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 GLN : amide:sc= -0.323 X(o=-0.32,f=0) USER MOD Single : A 246 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0422) USER MOD Single : A 250 ASN :FLIP amide:sc= -2.78 F(o=-4.7!,f=-2.8) 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 20:sc= 1.05 USER MOD Single : A 266 LYS NZ :NH3+ -175:sc= 1.21 (180deg=1.1) USER MOD Single : A 268 THR OG1 : rot -11:sc= 0.588 USER MOD Single : A 269 LYS NZ :NH3+ 148:sc= -0.161 (180deg=-0.983) USER MOD Single : A 280 CYS SG : rot -45:sc= -21.5! USER MOD Single : A 281 ASN :FLIP amide:sc= -0.045 F(o=-2.5!,f=-0.045) USER MOD Single : A 283 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 HIS : no HE2:sc= -0.858 K(o=-0.86,f=-2) USER MOD Single : A 290 THR OG1 : rot -151:sc= -1.44! USER MOD Single : A 291 HIS : no HD1:sc= -2.99 X(o=-3,f=-2.5) USER MOD Single : A 297 GLN :FLIP amide:sc= -0.161 F(o=-1.9!,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 262 N PRO A 238 6.172 -2.235 -8.710 1.00 0.40 N ATOM 263 CA PRO A 238 5.497 -2.360 -7.416 1.00 0.28 C ATOM 264 C PRO A 238 5.129 -3.744 -7.050 1.00 0.28 C ATOM 265 O PRO A 238 4.861 -4.605 -7.883 1.00 0.41 O ATOM 266 CB PRO A 238 4.272 -1.476 -7.563 1.00 0.25 C ATOM 267 CG PRO A 238 3.947 -1.561 -9.003 1.00 0.59 C ATOM 268 CD PRO A 238 5.278 -1.626 -9.710 1.00 0.43 C ATOM 0 HA PRO A 238 6.158 -2.062 -6.602 1.00 0.28 H new ATOM 0 HB2 PRO A 238 3.447 -1.830 -6.945 1.00 0.25 H new ATOM 0 HB3 PRO A 238 4.480 -0.450 -7.260 1.00 0.25 H new ATOM 0 HG2 PRO A 238 3.344 -2.443 -9.218 1.00 0.59 H new ATOM 0 HG3 PRO A 238 3.371 -0.694 -9.328 1.00 0.59 H new ATOM 0 HD2 PRO A 238 5.221 -2.228 -10.617 1.00 0.43 H new ATOM 0 HD3 PRO A 238 5.623 -0.636 -10.006 1.00 0.43 H new ATOM 276 N PHE A 239 5.141 -3.919 -5.761 1.00 0.24 N ATOM 277 CA PHE A 239 5.017 -5.205 -5.178 1.00 0.26 C ATOM 278 C PHE A 239 3.622 -5.374 -4.629 1.00 0.22 C ATOM 279 O PHE A 239 2.959 -4.384 -4.312 1.00 0.26 O ATOM 280 CB PHE A 239 6.077 -5.403 -4.085 1.00 0.38 C ATOM 281 CG PHE A 239 7.493 -5.608 -4.582 1.00 0.48 C ATOM 282 CD1 PHE A 239 7.732 -6.031 -5.876 1.00 0.56 C ATOM 283 CD2 PHE A 239 8.582 -5.416 -3.738 1.00 0.66 C ATOM 284 CE1 PHE A 239 9.017 -6.260 -6.326 1.00 0.71 C ATOM 285 CE2 PHE A 239 9.871 -5.637 -4.184 1.00 0.79 C ATOM 286 CZ PHE A 239 10.089 -6.062 -5.478 1.00 0.78 C ATOM 0 H PHE A 239 5.238 -3.160 -5.086 1.00 0.24 H new ATOM 0 HA PHE A 239 5.185 -5.968 -5.938 1.00 0.26 H new ATOM 0 HB2 PHE A 239 6.063 -4.534 -3.428 1.00 0.38 H new ATOM 0 HB3 PHE A 239 5.794 -6.265 -3.480 1.00 0.38 H new ATOM 0 HD1 PHE A 239 6.899 -6.185 -6.546 1.00 0.56 H new ATOM 0 HD2 PHE A 239 8.418 -5.090 -2.721 1.00 0.66 H new ATOM 0 HE1 PHE A 239 9.184 -6.593 -7.340 1.00 0.71 H new ATOM 0 HE2 PHE A 239 10.707 -5.477 -3.520 1.00 0.79 H new ATOM 0 HZ PHE A 239 11.095 -6.239 -5.827 1.00 0.78 H new ATOM 296 N TYR A 240 3.180 -6.611 -4.488 1.00 0.22 N ATOM 297 CA TYR A 240 1.851 -6.862 -4.069 1.00 0.21 C ATOM 298 C TYR A 240 1.900 -6.858 -2.582 1.00 0.19 C ATOM 299 O TYR A 240 2.988 -6.851 -2.013 1.00 0.23 O ATOM 300 CB TYR A 240 1.362 -8.207 -4.590 1.00 0.24 C ATOM 301 CG TYR A 240 0.584 -8.147 -5.878 1.00 0.36 C ATOM 302 CD1 TYR A 240 -0.389 -7.181 -6.071 1.00 0.43 C ATOM 303 CD2 TYR A 240 0.784 -9.087 -6.880 1.00 0.64 C ATOM 304 CE1 TYR A 240 -1.143 -7.150 -7.222 1.00 0.57 C ATOM 305 CE2 TYR A 240 0.041 -9.057 -8.045 1.00 0.79 C ATOM 306 CZ TYR A 240 -0.923 -8.087 -8.210 1.00 0.69 C ATOM 307 OH TYR A 240 -1.674 -8.055 -9.365 1.00 0.88 O ATOM 0 H TYR A 240 3.739 -7.446 -4.663 1.00 0.22 H new ATOM 0 HA TYR A 240 1.158 -6.113 -4.454 1.00 0.21 H new ATOM 0 HB2 TYR A 240 2.224 -8.859 -4.734 1.00 0.24 H new ATOM 0 HB3 TYR A 240 0.736 -8.670 -3.827 1.00 0.24 H new ATOM 0 HD1 TYR A 240 -0.559 -6.439 -5.305 1.00 0.43 H new ATOM 0 HD2 TYR A 240 1.532 -9.854 -6.747 1.00 0.64 H new ATOM 0 HE1 TYR A 240 -1.904 -6.395 -7.351 1.00 0.57 H new ATOM 0 HE2 TYR A 240 0.215 -9.789 -8.820 1.00 0.79 H new ATOM 0 HH TYR A 240 -1.393 -8.783 -9.958 1.00 0.88 H new ATOM 317 N ALA A 241 0.779 -6.805 -1.937 1.00 0.14 N ATOM 318 CA ALA A 241 0.798 -6.885 -0.524 1.00 0.15 C ATOM 319 C ALA A 241 -0.500 -7.354 0.044 1.00 0.11 C ATOM 320 O ALA A 241 -1.546 -6.794 -0.224 1.00 0.12 O ATOM 321 CB ALA A 241 1.208 -5.554 0.070 1.00 0.24 C ATOM 0 H ALA A 241 -0.143 -6.708 -2.363 1.00 0.14 H new ATOM 0 HA ALA A 241 1.539 -7.637 -0.251 1.00 0.15 H new ATOM 0 HB1 ALA A 241 1.219 -5.629 1.157 1.00 0.24 H new ATOM 0 HB2 ALA A 241 2.204 -5.288 -0.285 1.00 0.24 H new ATOM 0 HB3 ALA A 241 0.497 -4.786 -0.234 1.00 0.24 H new ATOM 327 N ARG A 242 -0.420 -8.377 0.861 1.00 0.10 N ATOM 328 CA ARG A 242 -1.586 -8.943 1.442 1.00 0.08 C ATOM 329 C ARG A 242 -2.018 -8.062 2.585 1.00 0.08 C ATOM 330 O ARG A 242 -1.387 -8.038 3.642 1.00 0.11 O ATOM 331 CB ARG A 242 -1.272 -10.324 1.954 1.00 0.10 C ATOM 332 CG ARG A 242 -2.424 -11.001 2.718 1.00 0.10 C ATOM 333 CD ARG A 242 -3.455 -11.642 1.810 1.00 0.11 C ATOM 334 NE ARG A 242 -2.869 -12.580 0.860 1.00 0.18 N ATOM 335 CZ ARG A 242 -3.577 -13.236 -0.058 1.00 0.35 C ATOM 336 NH1 ARG A 242 -4.894 -13.083 -0.115 1.00 0.51 N ATOM 337 NH2 ARG A 242 -2.972 -14.062 -0.899 1.00 0.43 N ATOM 0 H ARG A 242 0.454 -8.828 1.132 1.00 0.10 H new ATOM 0 HA ARG A 242 -2.383 -9.014 0.702 1.00 0.08 H new ATOM 0 HB2 ARG A 242 -0.992 -10.955 1.110 1.00 0.10 H new ATOM 0 HB3 ARG A 242 -0.403 -10.265 2.610 1.00 0.10 H new ATOM 0 HG2 ARG A 242 -2.012 -11.762 3.382 1.00 0.10 H new ATOM 0 HG3 ARG A 242 -2.916 -10.261 3.348 1.00 0.10 H new ATOM 0 HD2 ARG A 242 -4.194 -12.163 2.419 1.00 0.11 H new ATOM 0 HD3 ARG A 242 -3.985 -10.862 1.263 1.00 0.11 H new ATOM 0 HE ARG A 242 -1.863 -12.743 0.901 1.00 0.18 H new ATOM 0 HH11 ARG A 242 -5.364 -12.463 0.544 1.00 0.51 H new ATOM 0 HH12 ARG A 242 -5.436 -13.585 -0.818 1.00 0.51 H new ATOM 0 HH21 ARG A 242 -1.962 -14.196 -0.844 1.00 0.43 H new ATOM 0 HH22 ARG A 242 -3.516 -14.563 -1.601 1.00 0.43 H new ATOM 351 N VAL A 243 -3.052 -7.306 2.357 1.00 0.07 N ATOM 352 CA VAL A 243 -3.565 -6.429 3.353 1.00 0.08 C ATOM 353 C VAL A 243 -4.042 -7.245 4.539 1.00 0.11 C ATOM 354 O VAL A 243 -4.601 -8.317 4.365 1.00 0.14 O ATOM 355 CB VAL A 243 -4.714 -5.590 2.780 1.00 0.10 C ATOM 356 CG1 VAL A 243 -5.782 -6.465 2.180 1.00 0.14 C ATOM 357 CG2 VAL A 243 -5.303 -4.750 3.870 1.00 0.18 C ATOM 0 H VAL A 243 -3.560 -7.284 1.473 1.00 0.07 H new ATOM 0 HA VAL A 243 -2.778 -5.749 3.679 1.00 0.08 H new ATOM 0 HB VAL A 243 -4.317 -4.953 1.990 1.00 0.10 H new ATOM 0 HG11 VAL A 243 -6.583 -5.841 1.782 1.00 0.14 H new ATOM 0 HG12 VAL A 243 -5.353 -7.062 1.375 1.00 0.14 H new ATOM 0 HG13 VAL A 243 -6.184 -7.126 2.948 1.00 0.14 H new ATOM 0 HG21 VAL A 243 -6.120 -4.152 3.467 1.00 0.18 H new ATOM 0 HG22 VAL A 243 -5.682 -5.396 4.662 1.00 0.18 H new ATOM 0 HG23 VAL A 243 -4.536 -4.090 4.276 1.00 0.18 H new ATOM 367 N ILE A 244 -3.790 -6.770 5.739 1.00 0.12 N ATOM 368 CA ILE A 244 -4.247 -7.499 6.914 1.00 0.16 C ATOM 369 C ILE A 244 -5.083 -6.634 7.808 1.00 0.13 C ATOM 370 O ILE A 244 -5.507 -7.075 8.863 1.00 0.17 O ATOM 371 CB ILE A 244 -3.126 -8.073 7.782 1.00 0.30 C ATOM 372 CG1 ILE A 244 -2.066 -7.008 8.033 1.00 0.43 C ATOM 373 CG2 ILE A 244 -2.564 -9.313 7.140 1.00 0.37 C ATOM 374 CD1 ILE A 244 -1.338 -7.158 9.350 1.00 0.61 C ATOM 0 H ILE A 244 -3.285 -5.905 5.931 1.00 0.12 H new ATOM 0 HA ILE A 244 -4.822 -8.325 6.494 1.00 0.16 H new ATOM 0 HB ILE A 244 -3.520 -8.367 8.755 1.00 0.30 H new ATOM 0 HG12 ILE A 244 -1.338 -7.038 7.222 1.00 0.43 H new ATOM 0 HG13 ILE A 244 -2.538 -6.026 8.001 1.00 0.43 H new ATOM 0 HG21 ILE A 244 -1.766 -9.716 7.764 1.00 0.37 H new ATOM 0 HG22 ILE A 244 -3.353 -10.057 7.034 1.00 0.37 H new ATOM 0 HG23 ILE A 244 -2.165 -9.065 6.156 1.00 0.37 H new ATOM 0 HD11 ILE A 244 -0.601 -6.361 9.451 1.00 0.61 H new ATOM 0 HD12 ILE A 244 -2.053 -7.097 10.170 1.00 0.61 H new ATOM 0 HD13 ILE A 244 -0.834 -8.124 9.379 1.00 0.61 H new ATOM 386 N GLN A 245 -5.274 -5.401 7.392 1.00 0.11 N ATOM 387 CA GLN A 245 -6.145 -4.466 8.085 1.00 0.12 C ATOM 388 C GLN A 245 -6.336 -3.246 7.220 1.00 0.11 C ATOM 389 O GLN A 245 -5.498 -2.353 7.160 1.00 0.12 O ATOM 390 CB GLN A 245 -5.600 -4.063 9.468 1.00 0.15 C ATOM 391 CG GLN A 245 -6.021 -4.989 10.597 1.00 0.21 C ATOM 392 CD GLN A 245 -5.834 -4.386 11.977 1.00 0.33 C ATOM 393 OE1 GLN A 245 -6.579 -4.695 12.906 1.00 1.05 O ATOM 394 NE2 GLN A 245 -4.831 -3.534 12.130 1.00 1.20 N ATOM 0 H GLN A 245 -4.829 -5.013 6.560 1.00 0.11 H new ATOM 0 HA GLN A 245 -7.100 -4.960 8.261 1.00 0.12 H new ATOM 0 HB2 GLN A 245 -4.511 -4.035 9.423 1.00 0.15 H new ATOM 0 HB3 GLN A 245 -5.936 -3.052 9.698 1.00 0.15 H new ATOM 0 HG2 GLN A 245 -7.069 -5.256 10.465 1.00 0.21 H new ATOM 0 HG3 GLN A 245 -5.446 -5.913 10.532 1.00 0.21 H new ATOM 0 HE21 GLN A 245 -4.234 -3.301 11.336 1.00 1.20 H new ATOM 0 HE22 GLN A 245 -4.656 -3.111 13.041 1.00 1.20 H new ATOM 403 N LYS A 246 -7.414 -3.265 6.491 1.00 0.12 N ATOM 404 CA LYS A 246 -7.818 -2.149 5.685 1.00 0.12 C ATOM 405 C LYS A 246 -9.308 -2.009 5.853 1.00 0.15 C ATOM 406 O LYS A 246 -9.986 -2.956 6.256 1.00 0.19 O ATOM 407 CB LYS A 246 -7.392 -2.418 4.249 1.00 0.12 C ATOM 408 CG LYS A 246 -7.075 -1.211 3.349 1.00 0.13 C ATOM 409 CD LYS A 246 -5.716 -1.386 2.694 1.00 0.14 C ATOM 410 CE LYS A 246 -4.620 -0.869 3.567 1.00 0.16 C ATOM 411 NZ LYS A 246 -3.302 -0.928 2.877 1.00 0.21 N ATOM 0 H LYS A 246 -8.045 -4.065 6.439 1.00 0.12 H new ATOM 0 HA LYS A 246 -7.351 -1.209 5.980 1.00 0.12 H new ATOM 0 HB2 LYS A 246 -6.507 -3.054 4.277 1.00 0.12 H new ATOM 0 HB3 LYS A 246 -8.183 -2.993 3.769 1.00 0.12 H new ATOM 0 HG2 LYS A 246 -7.844 -1.107 2.584 1.00 0.13 H new ATOM 0 HG3 LYS A 246 -7.087 -0.295 3.940 1.00 0.13 H new ATOM 0 HD2 LYS A 246 -5.546 -2.441 2.481 1.00 0.14 H new ATOM 0 HD3 LYS A 246 -5.701 -0.861 1.739 1.00 0.14 H new ATOM 0 HE2 LYS A 246 -4.836 0.160 3.854 1.00 0.16 H new ATOM 0 HE3 LYS A 246 -4.578 -1.454 4.486 1.00 0.16 H new ATOM 0 HZ1 LYS A 246 -2.551 -0.642 3.538 1.00 0.21 H new ATOM 0 HZ2 LYS A 246 -3.124 -1.899 2.550 1.00 0.21 H new ATOM 0 HZ3 LYS A 246 -3.308 -0.284 2.061 1.00 0.21 H new ATOM 425 N ARG A 247 -9.805 -0.848 5.580 1.00 0.16 N ATOM 426 CA ARG A 247 -11.201 -0.576 5.708 1.00 0.16 C ATOM 427 C ARG A 247 -11.801 -0.732 4.336 1.00 0.14 C ATOM 428 O ARG A 247 -11.054 -0.901 3.377 1.00 0.14 O ATOM 429 CB ARG A 247 -11.395 0.843 6.228 1.00 0.17 C ATOM 430 CG ARG A 247 -10.777 1.892 5.323 1.00 0.18 C ATOM 431 CD ARG A 247 -11.103 3.305 5.775 1.00 0.23 C ATOM 432 NE ARG A 247 -12.543 3.559 5.743 1.00 0.49 N ATOM 433 CZ ARG A 247 -13.114 4.699 6.128 1.00 0.63 C ATOM 434 NH1 ARG A 247 -12.391 5.655 6.691 1.00 1.63 N ATOM 435 NH2 ARG A 247 -14.422 4.861 5.984 1.00 0.63 N ATOM 0 H ARG A 247 -9.251 -0.054 5.259 1.00 0.16 H new ATOM 0 HA ARG A 247 -11.683 -1.255 6.411 1.00 0.16 H new ATOM 0 HB2 ARG A 247 -12.461 1.044 6.333 1.00 0.17 H new ATOM 0 HB3 ARG A 247 -10.956 0.924 7.222 1.00 0.17 H new ATOM 0 HG2 ARG A 247 -9.695 1.760 5.302 1.00 0.18 H new ATOM 0 HG3 ARG A 247 -11.135 1.747 4.304 1.00 0.18 H new ATOM 0 HD2 ARG A 247 -10.727 3.460 6.786 1.00 0.23 H new ATOM 0 HD3 ARG A 247 -10.592 4.021 5.132 1.00 0.23 H new ATOM 0 HE ARG A 247 -13.150 2.813 5.403 1.00 0.49 H new ATOM 0 HH11 ARG A 247 -11.390 5.521 6.832 1.00 1.63 H new ATOM 0 HH12 ARG A 247 -12.835 6.525 6.983 1.00 1.63 H new ATOM 0 HH21 ARG A 247 -14.987 4.114 5.580 1.00 0.63 H new ATOM 0 HH22 ARG A 247 -14.863 5.732 6.278 1.00 0.63 H new ATOM 449 N VAL A 248 -13.111 -0.761 4.221 1.00 0.15 N ATOM 450 CA VAL A 248 -13.713 -0.571 2.931 1.00 0.15 C ATOM 451 C VAL A 248 -14.060 0.902 2.756 1.00 0.14 C ATOM 452 O VAL A 248 -15.111 1.377 3.198 1.00 0.16 O ATOM 453 CB VAL A 248 -14.944 -1.470 2.711 1.00 0.19 C ATOM 454 CG1 VAL A 248 -15.781 -0.956 1.557 1.00 0.21 C ATOM 455 CG2 VAL A 248 -14.498 -2.893 2.428 1.00 0.21 C ATOM 0 H VAL A 248 -13.763 -0.911 4.991 1.00 0.15 H new ATOM 0 HA VAL A 248 -12.991 -0.869 2.170 1.00 0.15 H new ATOM 0 HB VAL A 248 -15.552 -1.454 3.616 1.00 0.19 H new ATOM 0 HG11 VAL A 248 -16.646 -1.605 1.418 1.00 0.21 H new ATOM 0 HG12 VAL A 248 -16.119 0.057 1.775 1.00 0.21 H new ATOM 0 HG13 VAL A 248 -15.181 -0.950 0.647 1.00 0.21 H new ATOM 0 HG21 VAL A 248 -15.373 -3.525 2.273 1.00 0.21 H new ATOM 0 HG22 VAL A 248 -13.876 -2.908 1.533 1.00 0.21 H new ATOM 0 HG23 VAL A 248 -13.924 -3.270 3.275 1.00 0.21 H new ATOM 465 N PRO A 249 -13.121 1.664 2.188 1.00 0.13 N ATOM 466 CA PRO A 249 -13.310 3.017 1.802 1.00 0.15 C ATOM 467 C PRO A 249 -13.589 3.074 0.314 1.00 0.16 C ATOM 468 O PRO A 249 -14.221 2.181 -0.247 1.00 0.17 O ATOM 469 CB PRO A 249 -11.940 3.633 2.135 1.00 0.16 C ATOM 470 CG PRO A 249 -10.960 2.506 2.042 1.00 0.14 C ATOM 471 CD PRO A 249 -11.767 1.265 1.855 1.00 0.13 C ATOM 0 HA PRO A 249 -14.140 3.527 2.291 1.00 0.15 H new ATOM 0 HB2 PRO A 249 -11.688 4.430 1.436 1.00 0.16 H new ATOM 0 HB3 PRO A 249 -11.939 4.072 3.133 1.00 0.16 H new ATOM 0 HG2 PRO A 249 -10.275 2.654 1.207 1.00 0.14 H new ATOM 0 HG3 PRO A 249 -10.353 2.443 2.945 1.00 0.14 H new ATOM 0 HD2 PRO A 249 -11.701 0.898 0.831 1.00 0.13 H new ATOM 0 HD3 PRO A 249 -11.418 0.462 2.504 1.00 0.13 H new ATOM 479 N ASN A 250 -13.111 4.117 -0.310 1.00 0.17 N ATOM 480 CA ASN A 250 -13.112 4.218 -1.754 1.00 0.20 C ATOM 481 C ASN A 250 -12.216 5.353 -2.168 1.00 0.21 C ATOM 482 O ASN A 250 -11.594 6.002 -1.326 1.00 0.19 O ATOM 483 CB ASN A 250 -14.512 4.404 -2.367 1.00 0.24 C ATOM 484 CG ASN A 250 -15.303 5.596 -1.838 1.00 0.69 C ATOM 485 OD1 ASN A 250 -15.189 5.898 -0.556 1.00 1.18 O flip ATOM 486 ND2 ASN A 250 -16.044 6.222 -2.586 1.00 1.28 N flip ATOM 0 H ASN A 250 -12.708 4.925 0.165 1.00 0.17 H new ATOM 0 HA ASN A 250 -12.742 3.267 -2.137 1.00 0.20 H new ATOM 0 HB2 ASN A 250 -14.407 4.510 -3.447 1.00 0.24 H new ATOM 0 HB3 ASN A 250 -15.091 3.498 -2.190 1.00 0.24 H new ATOM 0 HD21 ASN A 250 -16.110 5.965 -3.571 1.00 1.28 H new ATOM 0 HD22 ASN A 250 -16.595 7.001 -2.224 1.00 1.28 H new ATOM 493 N ALA A 251 -12.146 5.596 -3.455 1.00 0.26 N ATOM 494 CA ALA A 251 -11.278 6.628 -3.974 1.00 0.31 C ATOM 495 C ALA A 251 -11.816 8.021 -3.672 1.00 0.37 C ATOM 496 O ALA A 251 -11.119 9.017 -3.852 1.00 0.42 O ATOM 497 CB ALA A 251 -11.081 6.440 -5.465 1.00 0.39 C ATOM 0 H ALA A 251 -12.680 5.093 -4.164 1.00 0.26 H new ATOM 0 HA ALA A 251 -10.313 6.539 -3.475 1.00 0.31 H new ATOM 0 HB1 ALA A 251 -10.425 7.223 -5.847 1.00 0.39 H new ATOM 0 HB2 ALA A 251 -10.630 5.465 -5.652 1.00 0.39 H new ATOM 0 HB3 ALA A 251 -12.046 6.497 -5.969 1.00 0.39 H new ATOM 503 N TYR A 252 -13.057 8.088 -3.225 1.00 0.39 N ATOM 504 CA TYR A 252 -13.643 9.342 -2.788 1.00 0.47 C ATOM 505 C TYR A 252 -13.181 9.656 -1.386 1.00 0.46 C ATOM 506 O TYR A 252 -13.022 10.811 -0.999 1.00 0.56 O ATOM 507 CB TYR A 252 -15.158 9.248 -2.803 1.00 0.57 C ATOM 508 CG TYR A 252 -15.742 9.006 -4.169 1.00 0.95 C ATOM 509 CD1 TYR A 252 -14.998 9.216 -5.323 1.00 1.30 C ATOM 510 CD2 TYR A 252 -17.045 8.571 -4.297 1.00 1.27 C ATOM 511 CE1 TYR A 252 -15.545 8.993 -6.569 1.00 1.80 C ATOM 512 CE2 TYR A 252 -17.603 8.342 -5.540 1.00 1.76 C ATOM 513 CZ TYR A 252 -16.849 8.559 -6.673 1.00 1.98 C ATOM 514 OH TYR A 252 -17.398 8.333 -7.915 1.00 2.53 O ATOM 0 H TYR A 252 -13.681 7.284 -3.155 1.00 0.39 H new ATOM 0 HA TYR A 252 -13.326 10.132 -3.468 1.00 0.47 H new ATOM 0 HB2 TYR A 252 -15.469 8.442 -2.138 1.00 0.57 H new ATOM 0 HB3 TYR A 252 -15.573 10.172 -2.400 1.00 0.57 H new ATOM 0 HD1 TYR A 252 -13.977 9.559 -5.243 1.00 1.30 H new ATOM 0 HD2 TYR A 252 -17.639 8.407 -3.410 1.00 1.27 H new ATOM 0 HE1 TYR A 252 -14.955 9.158 -7.458 1.00 1.80 H new ATOM 0 HE2 TYR A 252 -18.623 7.996 -5.623 1.00 1.76 H new ATOM 0 HH TYR A 252 -18.324 8.030 -7.813 1.00 2.53 H new ATOM 524 N ASP A 253 -12.953 8.596 -0.646 1.00 0.40 N ATOM 525 CA ASP A 253 -12.534 8.677 0.719 1.00 0.43 C ATOM 526 C ASP A 253 -11.074 8.949 0.762 1.00 0.38 C ATOM 527 O ASP A 253 -10.290 8.031 1.021 1.00 0.34 O ATOM 528 CB ASP A 253 -12.701 7.321 1.337 1.00 0.44 C ATOM 529 CG ASP A 253 -13.349 7.323 2.702 1.00 0.56 C ATOM 530 OD1 ASP A 253 -12.625 7.467 3.703 1.00 0.88 O ATOM 531 OD2 ASP A 253 -14.588 7.210 2.780 1.00 0.80 O ATOM 0 H ASP A 253 -13.057 7.641 -0.989 1.00 0.40 H new ATOM 0 HA ASP A 253 -13.109 9.450 1.229 1.00 0.43 H new ATOM 0 HB2 ASP A 253 -13.299 6.703 0.667 1.00 0.44 H new ATOM 0 HB3 ASP A 253 -11.721 6.850 1.416 1.00 0.44 H new ATOM 536 N LYS A 254 -10.692 10.183 0.517 1.00 0.43 N ATOM 537 CA LYS A 254 -9.314 10.572 0.683 1.00 0.41 C ATOM 538 C LYS A 254 -8.408 9.744 -0.211 1.00 0.31 C ATOM 539 O LYS A 254 -7.196 9.765 -0.060 1.00 0.28 O ATOM 540 CB LYS A 254 -8.986 10.355 2.149 1.00 0.45 C ATOM 541 CG LYS A 254 -9.980 11.083 3.014 1.00 0.60 C ATOM 542 CD LYS A 254 -9.905 10.696 4.478 1.00 0.74 C ATOM 543 CE LYS A 254 -10.846 9.540 4.771 1.00 0.79 C ATOM 544 NZ LYS A 254 -11.102 9.383 6.223 1.00 1.32 N ATOM 0 H LYS A 254 -11.314 10.928 0.204 1.00 0.43 H new ATOM 0 HA LYS A 254 -9.158 11.613 0.399 1.00 0.41 H new ATOM 0 HB2 LYS A 254 -9.003 9.290 2.380 1.00 0.45 H new ATOM 0 HB3 LYS A 254 -7.978 10.711 2.361 1.00 0.45 H new ATOM 0 HG2 LYS A 254 -9.813 12.156 2.921 1.00 0.60 H new ATOM 0 HG3 LYS A 254 -10.986 10.883 2.645 1.00 0.60 H new ATOM 0 HD2 LYS A 254 -8.883 10.415 4.734 1.00 0.74 H new ATOM 0 HD3 LYS A 254 -10.166 11.552 5.100 1.00 0.74 H new ATOM 0 HE2 LYS A 254 -11.791 9.702 4.252 1.00 0.79 H new ATOM 0 HE3 LYS A 254 -10.420 8.617 4.377 1.00 0.79 H new ATOM 0 HZ1 LYS A 254 -11.749 8.583 6.377 1.00 1.32 H new ATOM 0 HZ2 LYS A 254 -10.204 9.202 6.716 1.00 1.32 H new ATOM 0 HZ3 LYS A 254 -11.533 10.253 6.596 1.00 1.32 H new ATOM 558 N THR A 255 -9.040 9.023 -1.135 1.00 0.28 N ATOM 559 CA THR A 255 -8.420 7.991 -1.929 1.00 0.22 C ATOM 560 C THR A 255 -7.870 6.940 -1.002 1.00 0.15 C ATOM 561 O THR A 255 -6.748 7.038 -0.505 1.00 0.14 O ATOM 562 CB THR A 255 -7.352 8.482 -2.949 1.00 0.27 C ATOM 563 OG1 THR A 255 -6.352 9.300 -2.331 1.00 0.41 O ATOM 564 CG2 THR A 255 -8.009 9.258 -4.076 1.00 0.55 C ATOM 0 H THR A 255 -10.028 9.153 -1.350 1.00 0.28 H new ATOM 0 HA THR A 255 -9.198 7.574 -2.568 1.00 0.22 H new ATOM 0 HB THR A 255 -6.864 7.593 -3.348 1.00 0.27 H new ATOM 0 HG1 THR A 255 -6.349 9.139 -1.364 1.00 0.41 H new ATOM 0 HG21 THR A 255 -7.247 9.593 -4.779 1.00 0.55 H new ATOM 0 HG22 THR A 255 -8.722 8.616 -4.593 1.00 0.55 H new ATOM 0 HG23 THR A 255 -8.530 10.123 -3.666 1.00 0.55 H new ATOM 572 N ALA A 256 -8.751 6.033 -0.638 1.00 0.13 N ATOM 573 CA ALA A 256 -8.393 4.894 0.157 1.00 0.11 C ATOM 574 C ALA A 256 -8.761 3.580 -0.517 1.00 0.10 C ATOM 575 O ALA A 256 -9.574 3.524 -1.439 1.00 0.12 O ATOM 576 CB ALA A 256 -9.000 5.029 1.533 1.00 0.13 C ATOM 0 H ALA A 256 -9.739 6.072 -0.890 1.00 0.13 H new ATOM 0 HA ALA A 256 -7.308 4.870 0.261 1.00 0.11 H new ATOM 0 HB1 ALA A 256 -8.728 4.163 2.137 1.00 0.13 H new ATOM 0 HB2 ALA A 256 -8.626 5.936 2.008 1.00 0.13 H new ATOM 0 HB3 ALA A 256 -10.085 5.086 1.448 1.00 0.13 H new ATOM 582 N LEU A 257 -8.162 2.529 -0.001 1.00 0.10 N ATOM 583 CA LEU A 257 -8.206 1.198 -0.592 1.00 0.09 C ATOM 584 C LEU A 257 -9.333 0.355 -0.056 1.00 0.09 C ATOM 585 O LEU A 257 -9.349 0.043 1.132 1.00 0.11 O ATOM 586 CB LEU A 257 -6.922 0.473 -0.240 1.00 0.11 C ATOM 587 CG LEU A 257 -5.676 0.837 -0.987 1.00 0.19 C ATOM 588 CD1 LEU A 257 -5.991 1.261 -2.390 1.00 0.27 C ATOM 589 CD2 LEU A 257 -4.910 1.910 -0.263 1.00 0.21 C ATOM 0 H LEU A 257 -7.617 2.571 0.860 1.00 0.10 H new ATOM 0 HA LEU A 257 -8.345 1.332 -1.665 1.00 0.09 H new ATOM 0 HB2 LEU A 257 -6.731 0.630 0.822 1.00 0.11 H new ATOM 0 HB3 LEU A 257 -7.094 -0.594 -0.379 1.00 0.11 H new ATOM 0 HG LEU A 257 -5.047 -0.052 -1.039 1.00 0.19 H new ATOM 0 HD11 LEU A 257 -5.067 1.519 -2.908 1.00 0.27 H new ATOM 0 HD12 LEU A 257 -6.485 0.443 -2.915 1.00 0.27 H new ATOM 0 HD13 LEU A 257 -6.650 2.129 -2.369 1.00 0.27 H new ATOM 0 HD21 LEU A 257 -4.010 2.157 -0.826 1.00 0.21 H new ATOM 0 HD22 LEU A 257 -5.533 2.799 -0.166 1.00 0.21 H new ATOM 0 HD23 LEU A 257 -4.632 1.552 0.728 1.00 0.21 H new ATOM 601 N ALA A 258 -10.226 -0.090 -0.928 1.00 0.10 N ATOM 602 CA ALA A 258 -11.339 -0.903 -0.482 1.00 0.11 C ATOM 603 C ALA A 258 -10.986 -2.359 -0.495 1.00 0.11 C ATOM 604 O ALA A 258 -11.091 -3.042 -1.514 1.00 0.14 O ATOM 605 CB ALA A 258 -12.545 -0.666 -1.339 1.00 0.14 C ATOM 0 H ALA A 258 -10.201 0.096 -1.931 1.00 0.10 H new ATOM 0 HA ALA A 258 -11.569 -0.612 0.543 1.00 0.11 H new ATOM 0 HB1 ALA A 258 -13.369 -1.286 -0.987 1.00 0.14 H new ATOM 0 HB2 ALA A 258 -12.831 0.384 -1.282 1.00 0.14 H new ATOM 0 HB3 ALA A 258 -12.313 -0.923 -2.373 1.00 0.14 H new ATOM 611 N LEU A 259 -10.568 -2.823 0.649 1.00 0.10 N ATOM 612 CA LEU A 259 -10.266 -4.219 0.826 1.00 0.12 C ATOM 613 C LEU A 259 -10.374 -4.618 2.284 1.00 0.12 C ATOM 614 O LEU A 259 -10.455 -3.764 3.165 1.00 0.12 O ATOM 615 CB LEU A 259 -8.871 -4.524 0.304 1.00 0.14 C ATOM 616 CG LEU A 259 -7.989 -3.297 0.131 1.00 0.11 C ATOM 617 CD1 LEU A 259 -6.622 -3.544 0.697 1.00 0.49 C ATOM 618 CD2 LEU A 259 -7.884 -2.933 -1.320 1.00 0.55 C ATOM 0 H LEU A 259 -10.427 -2.250 1.481 1.00 0.10 H new ATOM 0 HA LEU A 259 -10.994 -4.798 0.259 1.00 0.12 H new ATOM 0 HB2 LEU A 259 -8.382 -5.216 0.990 1.00 0.14 H new ATOM 0 HB3 LEU A 259 -8.957 -5.034 -0.655 1.00 0.14 H new ATOM 0 HG LEU A 259 -8.445 -2.469 0.673 1.00 0.11 H new ATOM 0 HD11 LEU A 259 -6.007 -2.654 0.563 1.00 0.49 H new ATOM 0 HD12 LEU A 259 -6.704 -3.772 1.760 1.00 0.49 H new ATOM 0 HD13 LEU A 259 -6.161 -4.385 0.180 1.00 0.49 H new ATOM 0 HD21 LEU A 259 -7.250 -2.053 -1.429 1.00 0.55 H new ATOM 0 HD22 LEU A 259 -7.449 -3.765 -1.873 1.00 0.55 H new ATOM 0 HD23 LEU A 259 -8.877 -2.716 -1.713 1.00 0.55 H new ATOM 630 N GLU A 260 -10.366 -5.913 2.535 1.00 0.15 N ATOM 631 CA GLU A 260 -10.489 -6.421 3.890 1.00 0.16 C ATOM 632 C GLU A 260 -9.154 -6.969 4.363 1.00 0.15 C ATOM 633 O GLU A 260 -8.218 -7.106 3.593 1.00 0.16 O ATOM 634 CB GLU A 260 -11.574 -7.511 3.945 1.00 0.21 C ATOM 635 CG GLU A 260 -11.480 -8.472 5.126 1.00 0.23 C ATOM 636 CD GLU A 260 -12.789 -8.614 5.871 1.00 0.47 C ATOM 637 OE1 GLU A 260 -13.851 -8.352 5.270 1.00 0.75 O ATOM 638 OE2 GLU A 260 -12.763 -8.986 7.063 1.00 0.92 O ATOM 0 H GLU A 260 -10.276 -6.634 1.819 1.00 0.15 H new ATOM 0 HA GLU A 260 -10.782 -5.607 4.553 1.00 0.16 H new ATOM 0 HB2 GLU A 260 -12.550 -7.027 3.970 1.00 0.21 H new ATOM 0 HB3 GLU A 260 -11.529 -8.091 3.023 1.00 0.21 H new ATOM 0 HG2 GLU A 260 -11.163 -9.451 4.767 1.00 0.23 H new ATOM 0 HG3 GLU A 260 -10.711 -8.121 5.814 1.00 0.23 H new ATOM 645 N VAL A 261 -9.053 -7.209 5.640 1.00 0.16 N ATOM 646 CA VAL A 261 -8.014 -8.046 6.175 1.00 0.16 C ATOM 647 C VAL A 261 -7.901 -9.368 5.415 1.00 0.17 C ATOM 648 O VAL A 261 -8.880 -10.102 5.264 1.00 0.21 O ATOM 649 CB VAL A 261 -8.323 -8.375 7.626 1.00 0.19 C ATOM 650 CG1 VAL A 261 -7.288 -9.343 8.176 1.00 0.21 C ATOM 651 CG2 VAL A 261 -8.415 -7.096 8.420 1.00 0.18 C ATOM 0 H VAL A 261 -9.689 -6.830 6.341 1.00 0.16 H new ATOM 0 HA VAL A 261 -7.077 -7.497 6.081 1.00 0.16 H new ATOM 0 HB VAL A 261 -9.288 -8.876 7.704 1.00 0.19 H new ATOM 0 HG11 VAL A 261 -7.520 -9.571 9.216 1.00 0.21 H new ATOM 0 HG12 VAL A 261 -7.303 -10.262 7.591 1.00 0.21 H new ATOM 0 HG13 VAL A 261 -6.298 -8.890 8.116 1.00 0.21 H new ATOM 0 HG21 VAL A 261 -8.637 -7.329 9.461 1.00 0.18 H new ATOM 0 HG22 VAL A 261 -7.466 -6.562 8.362 1.00 0.18 H new ATOM 0 HG23 VAL A 261 -9.209 -6.470 8.012 1.00 0.18 H new ATOM 661 N GLY A 262 -6.714 -9.655 4.934 1.00 0.17 N ATOM 662 CA GLY A 262 -6.452 -10.926 4.301 1.00 0.18 C ATOM 663 C GLY A 262 -6.650 -10.851 2.820 1.00 0.17 C ATOM 664 O GLY A 262 -6.483 -11.829 2.090 1.00 0.19 O ATOM 0 H GLY A 262 -5.913 -9.024 4.969 1.00 0.17 H new ATOM 0 HA2 GLY A 262 -5.430 -11.238 4.517 1.00 0.18 H new ATOM 0 HA3 GLY A 262 -7.112 -11.685 4.720 1.00 0.18 H new ATOM 668 N GLU A 263 -7.029 -9.680 2.391 1.00 0.16 N ATOM 669 CA GLU A 263 -7.171 -9.376 1.000 1.00 0.17 C ATOM 670 C GLU A 263 -5.821 -8.945 0.459 1.00 0.13 C ATOM 671 O GLU A 263 -4.793 -9.234 1.059 1.00 0.11 O ATOM 672 CB GLU A 263 -8.235 -8.302 0.906 1.00 0.18 C ATOM 673 CG GLU A 263 -9.507 -8.761 1.591 1.00 0.21 C ATOM 674 CD GLU A 263 -10.612 -9.134 0.631 1.00 0.51 C ATOM 675 OE1 GLU A 263 -10.619 -10.287 0.148 1.00 0.75 O ATOM 676 OE2 GLU A 263 -11.474 -8.275 0.347 1.00 0.84 O ATOM 0 H GLU A 263 -7.251 -8.900 3.010 1.00 0.16 H new ATOM 0 HA GLU A 263 -7.484 -10.228 0.396 1.00 0.17 H new ATOM 0 HB2 GLU A 263 -7.876 -7.383 1.369 1.00 0.18 H new ATOM 0 HB3 GLU A 263 -8.439 -8.073 -0.140 1.00 0.18 H new ATOM 0 HG2 GLU A 263 -9.280 -9.621 2.222 1.00 0.21 H new ATOM 0 HG3 GLU A 263 -9.862 -7.968 2.249 1.00 0.21 H new ATOM 683 N LEU A 264 -5.801 -8.252 -0.635 1.00 0.17 N ATOM 684 CA LEU A 264 -4.538 -7.903 -1.256 1.00 0.18 C ATOM 685 C LEU A 264 -4.596 -6.485 -1.784 1.00 0.17 C ATOM 686 O LEU A 264 -5.660 -5.955 -2.106 1.00 0.31 O ATOM 687 CB LEU A 264 -4.311 -8.918 -2.361 1.00 0.48 C ATOM 688 CG LEU A 264 -2.930 -9.081 -3.029 1.00 0.31 C ATOM 689 CD1 LEU A 264 -2.556 -7.894 -3.864 1.00 0.36 C ATOM 690 CD2 LEU A 264 -1.839 -9.357 -2.030 1.00 0.83 C ATOM 0 H LEU A 264 -6.631 -7.913 -1.123 1.00 0.17 H new ATOM 0 HA LEU A 264 -3.709 -7.932 -0.549 1.00 0.18 H new ATOM 0 HB2 LEU A 264 -4.586 -9.893 -1.958 1.00 0.48 H new ATOM 0 HB3 LEU A 264 -5.022 -8.688 -3.154 1.00 0.48 H new ATOM 0 HG LEU A 264 -3.026 -9.947 -3.684 1.00 0.31 H new ATOM 0 HD11 LEU A 264 -1.576 -8.059 -4.312 1.00 0.36 H new ATOM 0 HD12 LEU A 264 -3.297 -7.755 -4.652 1.00 0.36 H new ATOM 0 HD13 LEU A 264 -2.523 -7.003 -3.236 1.00 0.36 H new ATOM 0 HD21 LEU A 264 -0.887 -9.464 -2.551 1.00 0.83 H new ATOM 0 HD22 LEU A 264 -1.775 -8.530 -1.323 1.00 0.83 H new ATOM 0 HD23 LEU A 264 -2.063 -10.278 -1.492 1.00 0.83 H new ATOM 702 N VAL A 265 -3.440 -5.899 -1.854 1.00 0.19 N ATOM 703 CA VAL A 265 -3.265 -4.536 -2.264 1.00 0.19 C ATOM 704 C VAL A 265 -1.944 -4.437 -2.998 1.00 0.24 C ATOM 705 O VAL A 265 -1.153 -5.355 -2.943 1.00 0.47 O ATOM 706 CB VAL A 265 -3.276 -3.623 -1.015 1.00 0.16 C ATOM 707 CG1 VAL A 265 -1.915 -3.535 -0.357 1.00 0.25 C ATOM 708 CG2 VAL A 265 -3.732 -2.236 -1.280 1.00 0.27 C ATOM 0 H VAL A 265 -2.565 -6.369 -1.621 1.00 0.19 H new ATOM 0 HA VAL A 265 -4.071 -4.216 -2.924 1.00 0.19 H new ATOM 0 HB VAL A 265 -3.995 -4.106 -0.353 1.00 0.16 H new ATOM 0 HG11 VAL A 265 -1.974 -2.883 0.515 1.00 0.25 H new ATOM 0 HG12 VAL A 265 -1.597 -4.530 -0.045 1.00 0.25 H new ATOM 0 HG13 VAL A 265 -1.194 -3.129 -1.066 1.00 0.25 H new ATOM 0 HG21 VAL A 265 -3.710 -1.662 -0.353 1.00 0.27 H new ATOM 0 HG22 VAL A 265 -3.072 -1.769 -2.011 1.00 0.27 H new ATOM 0 HG23 VAL A 265 -4.749 -2.256 -1.670 1.00 0.27 H new ATOM 718 N LYS A 266 -1.716 -3.380 -3.723 1.00 0.14 N ATOM 719 CA LYS A 266 -0.395 -3.137 -4.241 1.00 0.15 C ATOM 720 C LYS A 266 0.034 -1.763 -3.859 1.00 0.32 C ATOM 721 O LYS A 266 -0.797 -0.899 -3.657 1.00 0.74 O ATOM 722 CB LYS A 266 -0.319 -3.318 -5.756 1.00 0.26 C ATOM 723 CG LYS A 266 1.114 -3.145 -6.246 1.00 0.42 C ATOM 724 CD LYS A 266 1.305 -3.318 -7.748 1.00 0.57 C ATOM 725 CE LYS A 266 0.315 -4.294 -8.359 1.00 0.96 C ATOM 726 NZ LYS A 266 0.848 -4.923 -9.595 1.00 1.84 N ATOM 0 H LYS A 266 -2.415 -2.679 -3.968 1.00 0.14 H new ATOM 0 HA LYS A 266 0.278 -3.875 -3.805 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.685 -4.308 -6.028 1.00 0.26 H new ATOM 0 HB3 LYS A 266 -0.967 -2.592 -6.247 1.00 0.26 H new ATOM 0 HG2 LYS A 266 1.462 -2.152 -5.963 1.00 0.42 H new ATOM 0 HG3 LYS A 266 1.749 -3.865 -5.729 1.00 0.42 H new ATOM 0 HD2 LYS A 266 1.202 -2.349 -8.237 1.00 0.57 H new ATOM 0 HD3 LYS A 266 2.319 -3.667 -7.943 1.00 0.57 H new ATOM 0 HE2 LYS A 266 0.074 -5.069 -7.632 1.00 0.96 H new ATOM 0 HE3 LYS A 266 -0.614 -3.773 -8.589 1.00 0.96 H new ATOM 0 HZ1 LYS A 266 0.112 -5.517 -10.027 1.00 1.84 H new ATOM 0 HZ2 LYS A 266 1.134 -4.182 -10.266 1.00 1.84 H new ATOM 0 HZ3 LYS A 266 1.672 -5.511 -9.358 1.00 1.84 H new ATOM 740 N VAL A 267 1.315 -1.564 -3.686 1.00 0.14 N ATOM 741 CA VAL A 267 1.777 -0.241 -3.462 1.00 0.16 C ATOM 742 C VAL A 267 2.667 0.180 -4.620 1.00 0.20 C ATOM 743 O VAL A 267 3.764 -0.338 -4.852 1.00 0.23 O ATOM 744 CB VAL A 267 2.428 -0.074 -2.080 1.00 0.20 C ATOM 745 CG1 VAL A 267 3.671 -0.920 -1.916 1.00 0.31 C ATOM 746 CG2 VAL A 267 2.699 1.381 -1.817 1.00 0.22 C ATOM 0 H VAL A 267 2.033 -2.289 -3.697 1.00 0.14 H new ATOM 0 HA VAL A 267 0.926 0.440 -3.437 1.00 0.16 H new ATOM 0 HB VAL A 267 1.725 -0.439 -1.331 1.00 0.20 H new ATOM 0 HG11 VAL A 267 4.090 -0.763 -0.922 1.00 0.31 H new ATOM 0 HG12 VAL A 267 3.414 -1.972 -2.039 1.00 0.31 H new ATOM 0 HG13 VAL A 267 4.407 -0.636 -2.668 1.00 0.31 H new ATOM 0 HG21 VAL A 267 3.160 1.494 -0.836 1.00 0.22 H new ATOM 0 HG22 VAL A 267 3.372 1.770 -2.581 1.00 0.22 H new ATOM 0 HG23 VAL A 267 1.761 1.936 -1.843 1.00 0.22 H new ATOM 756 N THR A 268 2.094 1.095 -5.365 1.00 0.21 N ATOM 757 CA THR A 268 2.592 1.566 -6.631 1.00 0.24 C ATOM 758 C THR A 268 2.941 3.051 -6.617 1.00 0.24 C ATOM 759 O THR A 268 3.550 3.545 -7.562 1.00 0.35 O ATOM 760 CB THR A 268 1.496 1.326 -7.690 1.00 0.26 C ATOM 761 OG1 THR A 268 1.822 1.959 -8.935 1.00 0.31 O ATOM 762 CG2 THR A 268 0.153 1.843 -7.169 1.00 0.24 C ATOM 0 H THR A 268 1.225 1.552 -5.089 1.00 0.21 H new ATOM 0 HA THR A 268 3.510 1.022 -6.855 1.00 0.24 H new ATOM 0 HB THR A 268 1.427 0.254 -7.872 1.00 0.26 H new ATOM 0 HG1 THR A 268 2.589 2.556 -8.808 1.00 0.31 H new ATOM 0 HG21 THR A 268 -0.619 1.672 -7.920 1.00 0.24 H new ATOM 0 HG22 THR A 268 -0.109 1.315 -6.252 1.00 0.24 H new ATOM 0 HG23 THR A 268 0.229 2.911 -6.964 1.00 0.24 H new ATOM 770 N LYS A 269 2.560 3.780 -5.582 1.00 0.20 N ATOM 771 CA LYS A 269 2.789 5.211 -5.609 1.00 0.23 C ATOM 772 C LYS A 269 3.693 5.628 -4.477 1.00 0.28 C ATOM 773 O LYS A 269 3.258 5.820 -3.358 1.00 0.45 O ATOM 774 CB LYS A 269 1.482 5.991 -5.499 1.00 0.25 C ATOM 775 CG LYS A 269 1.465 7.307 -6.275 1.00 0.49 C ATOM 776 CD LYS A 269 2.455 8.316 -5.730 1.00 0.59 C ATOM 777 CE LYS A 269 3.651 8.500 -6.644 1.00 0.49 C ATOM 778 NZ LYS A 269 3.258 8.862 -8.033 1.00 1.40 N ATOM 0 H LYS A 269 2.107 3.420 -4.742 1.00 0.20 H new ATOM 0 HA LYS A 269 3.260 5.438 -6.565 1.00 0.23 H new ATOM 0 HB2 LYS A 269 0.667 5.362 -5.856 1.00 0.25 H new ATOM 0 HB3 LYS A 269 1.286 6.201 -4.448 1.00 0.25 H new ATOM 0 HG2 LYS A 269 1.692 7.110 -7.323 1.00 0.49 H new ATOM 0 HG3 LYS A 269 0.462 7.732 -6.241 1.00 0.49 H new ATOM 0 HD2 LYS A 269 1.955 9.275 -5.592 1.00 0.59 H new ATOM 0 HD3 LYS A 269 2.798 7.991 -4.748 1.00 0.59 H new ATOM 0 HE2 LYS A 269 4.297 9.278 -6.238 1.00 0.49 H new ATOM 0 HE3 LYS A 269 4.234 7.579 -6.663 1.00 0.49 H new ATOM 0 HZ1 LYS A 269 3.986 9.475 -8.451 1.00 1.40 H new ATOM 0 HZ2 LYS A 269 3.164 7.998 -8.604 1.00 1.40 H new ATOM 0 HZ3 LYS A 269 2.349 9.366 -8.016 1.00 1.40 H new ATOM 792 N ILE A 270 4.943 5.796 -4.779 1.00 0.31 N ATOM 793 CA ILE A 270 5.864 6.380 -3.834 1.00 0.34 C ATOM 794 C ILE A 270 5.630 7.886 -3.743 1.00 0.38 C ATOM 795 O ILE A 270 6.034 8.643 -4.625 1.00 0.42 O ATOM 796 CB ILE A 270 7.332 6.113 -4.216 1.00 0.39 C ATOM 797 CG1 ILE A 270 7.459 5.446 -5.603 1.00 0.57 C ATOM 798 CG2 ILE A 270 7.988 5.249 -3.156 1.00 0.61 C ATOM 799 CD1 ILE A 270 6.949 6.281 -6.768 1.00 1.44 C ATOM 0 H ILE A 270 5.357 5.538 -5.675 1.00 0.31 H new ATOM 0 HA ILE A 270 5.679 5.912 -2.867 1.00 0.34 H new ATOM 0 HB ILE A 270 7.841 7.075 -4.273 1.00 0.39 H new ATOM 0 HG12 ILE A 270 8.508 5.206 -5.779 1.00 0.57 H new ATOM 0 HG13 ILE A 270 6.914 4.502 -5.587 1.00 0.57 H new ATOM 0 HG21 ILE A 270 9.026 5.062 -3.430 1.00 0.61 H new ATOM 0 HG22 ILE A 270 7.953 5.762 -2.195 1.00 0.61 H new ATOM 0 HG23 ILE A 270 7.457 4.300 -3.080 1.00 0.61 H new ATOM 0 HD11 ILE A 270 7.081 5.728 -7.698 1.00 1.44 H new ATOM 0 HD12 ILE A 270 5.891 6.500 -6.623 1.00 1.44 H new ATOM 0 HD13 ILE A 270 7.509 7.215 -6.819 1.00 1.44 H new ATOM 877 N TRP A 276 2.508 5.612 1.571 1.00 0.41 N ATOM 878 CA TRP A 276 2.320 5.746 0.148 1.00 0.33 C ATOM 879 C TRP A 276 0.928 5.330 -0.272 1.00 0.23 C ATOM 880 O TRP A 276 0.092 4.963 0.557 1.00 0.22 O ATOM 881 CB TRP A 276 3.354 4.918 -0.618 1.00 0.41 C ATOM 882 CG TRP A 276 4.598 4.603 0.167 1.00 0.62 C ATOM 883 CD1 TRP A 276 4.801 3.517 0.970 1.00 0.98 C ATOM 884 CD2 TRP A 276 5.806 5.372 0.231 1.00 0.58 C ATOM 885 NE1 TRP A 276 6.050 3.571 1.529 1.00 1.10 N ATOM 886 CE2 TRP A 276 6.688 4.695 1.087 1.00 0.86 C ATOM 887 CE3 TRP A 276 6.227 6.557 -0.354 1.00 0.52 C ATOM 888 CZ2 TRP A 276 7.965 5.173 1.376 1.00 0.93 C ATOM 889 CZ3 TRP A 276 7.492 7.035 -0.071 1.00 0.69 C ATOM 890 CH2 TRP A 276 8.349 6.343 0.785 1.00 0.82 C ATOM 0 HA TRP A 276 2.453 6.800 -0.094 1.00 0.33 H new ATOM 0 HB2 TRP A 276 2.892 3.983 -0.935 1.00 0.41 H new ATOM 0 HB3 TRP A 276 3.636 5.457 -1.523 1.00 0.41 H new ATOM 0 HD1 TRP A 276 4.081 2.730 1.139 1.00 0.98 H new ATOM 0 HE1 TRP A 276 6.441 2.883 2.172 1.00 1.10 H new ATOM 0 HE3 TRP A 276 5.574 7.099 -1.022 1.00 0.52 H new ATOM 0 HZ2 TRP A 276 8.626 4.638 2.042 1.00 0.93 H new ATOM 0 HZ3 TRP A 276 7.823 7.960 -0.520 1.00 0.69 H new ATOM 0 HH2 TRP A 276 9.334 6.739 0.984 1.00 0.82 H new ATOM 901 N GLU A 277 0.700 5.403 -1.567 1.00 0.19 N ATOM 902 CA GLU A 277 -0.549 5.040 -2.160 1.00 0.16 C ATOM 903 C GLU A 277 -0.419 3.704 -2.813 1.00 0.19 C ATOM 904 O GLU A 277 0.672 3.186 -2.946 1.00 0.48 O ATOM 905 CB GLU A 277 -0.991 6.110 -3.142 1.00 0.15 C ATOM 906 CG GLU A 277 -1.765 7.208 -2.461 1.00 0.23 C ATOM 907 CD GLU A 277 -1.993 8.423 -3.334 1.00 0.27 C ATOM 908 OE1 GLU A 277 -2.253 8.252 -4.543 1.00 1.03 O ATOM 909 OE2 GLU A 277 -1.912 9.555 -2.813 1.00 0.92 O ATOM 0 H GLU A 277 1.396 5.723 -2.240 1.00 0.19 H new ATOM 0 HA GLU A 277 -1.318 4.967 -1.391 1.00 0.16 H new ATOM 0 HB2 GLU A 277 -0.117 6.534 -3.636 1.00 0.15 H new ATOM 0 HB3 GLU A 277 -1.608 5.658 -3.919 1.00 0.15 H new ATOM 0 HG2 GLU A 277 -2.730 6.815 -2.141 1.00 0.23 H new ATOM 0 HG3 GLU A 277 -1.231 7.513 -1.561 1.00 0.23 H new ATOM 916 N GLY A 278 -1.531 3.154 -3.188 1.00 0.39 N ATOM 917 CA GLY A 278 -1.574 1.829 -3.688 1.00 0.34 C ATOM 918 C GLY A 278 -2.677 1.681 -4.687 1.00 0.28 C ATOM 919 O GLY A 278 -3.442 2.617 -4.912 1.00 0.32 O ATOM 0 H GLY A 278 -2.437 3.621 -3.153 1.00 0.39 H new ATOM 0 HA2 GLY A 278 -0.620 1.578 -4.151 1.00 0.34 H new ATOM 0 HA3 GLY A 278 -1.723 1.129 -2.866 1.00 0.34 H new ATOM 923 N GLU A 279 -2.771 0.515 -5.264 1.00 0.22 N ATOM 924 CA GLU A 279 -3.828 0.199 -6.159 1.00 0.18 C ATOM 925 C GLU A 279 -4.045 -1.285 -6.094 1.00 0.13 C ATOM 926 O GLU A 279 -3.152 -2.080 -6.378 1.00 0.14 O ATOM 927 CB GLU A 279 -3.546 0.630 -7.579 1.00 0.25 C ATOM 928 CG GLU A 279 -4.827 0.688 -8.369 1.00 0.27 C ATOM 929 CD GLU A 279 -4.912 -0.354 -9.461 1.00 0.66 C ATOM 930 OE1 GLU A 279 -5.161 -1.536 -9.143 1.00 0.99 O ATOM 931 OE2 GLU A 279 -4.732 0.008 -10.641 1.00 1.08 O ATOM 0 H GLU A 279 -2.105 -0.244 -5.119 1.00 0.22 H new ATOM 0 HA GLU A 279 -4.721 0.745 -5.856 1.00 0.18 H new ATOM 0 HB2 GLU A 279 -3.064 1.608 -7.581 1.00 0.25 H new ATOM 0 HB3 GLU A 279 -2.852 -0.068 -8.048 1.00 0.25 H new ATOM 0 HG2 GLU A 279 -5.669 0.560 -7.689 1.00 0.27 H new ATOM 0 HG3 GLU A 279 -4.925 1.678 -8.814 1.00 0.27 H new ATOM 938 N CYS A 280 -5.195 -1.635 -5.621 1.00 0.10 N ATOM 939 CA CYS A 280 -5.566 -3.000 -5.456 1.00 0.12 C ATOM 940 C CYS A 280 -6.617 -3.382 -6.466 1.00 0.15 C ATOM 941 O CYS A 280 -7.804 -3.247 -6.193 1.00 0.19 O ATOM 942 CB CYS A 280 -6.138 -3.097 -4.086 1.00 0.17 C ATOM 943 SG CYS A 280 -6.009 -1.549 -3.212 1.00 1.52 S ATOM 0 H CYS A 280 -5.914 -0.970 -5.334 1.00 0.10 H new ATOM 0 HA CYS A 280 -4.713 -3.664 -5.596 1.00 0.12 H new ATOM 0 HB2 CYS A 280 -7.185 -3.395 -4.148 1.00 0.17 H new ATOM 0 HB3 CYS A 280 -5.618 -3.875 -3.528 1.00 0.17 H new ATOM 0 HG CYS A 280 -4.819 -1.053 -3.381 1.00 1.52 H new ATOM 949 N ASN A 281 -6.178 -3.853 -7.617 1.00 0.18 N ATOM 950 CA ASN A 281 -7.085 -4.278 -8.675 1.00 0.25 C ATOM 951 C ASN A 281 -8.234 -3.277 -8.854 1.00 0.23 C ATOM 952 O ASN A 281 -9.386 -3.663 -9.067 1.00 0.32 O ATOM 953 CB ASN A 281 -7.625 -5.681 -8.379 1.00 0.33 C ATOM 954 CG ASN A 281 -6.589 -6.782 -8.587 1.00 0.48 C ATOM 955 OD1 ASN A 281 -5.308 -6.460 -8.430 1.00 1.04 O flip ATOM 956 ND2 ASN A 281 -6.939 -7.920 -8.901 1.00 0.69 N flip ATOM 0 H ASN A 281 -5.190 -3.953 -7.848 1.00 0.18 H new ATOM 0 HA ASN A 281 -6.527 -4.311 -9.611 1.00 0.25 H new ATOM 0 HB2 ASN A 281 -7.981 -5.716 -7.349 1.00 0.33 H new ATOM 0 HB3 ASN A 281 -8.485 -5.875 -9.020 1.00 0.33 H new ATOM 0 HD21 ASN A 281 -7.929 -8.136 -9.014 1.00 0.69 H new ATOM 0 HD22 ASN A 281 -6.238 -8.647 -9.048 1.00 0.69 H new ATOM 963 N GLY A 282 -7.900 -1.987 -8.791 1.00 0.17 N ATOM 964 CA GLY A 282 -8.876 -0.949 -9.022 1.00 0.18 C ATOM 965 C GLY A 282 -9.304 -0.177 -7.780 1.00 0.16 C ATOM 966 O GLY A 282 -10.142 0.714 -7.880 1.00 0.28 O ATOM 0 H GLY A 282 -6.961 -1.648 -8.582 1.00 0.17 H new ATOM 0 HA2 GLY A 282 -8.469 -0.244 -9.747 1.00 0.18 H new ATOM 0 HA3 GLY A 282 -9.760 -1.397 -9.475 1.00 0.18 H new ATOM 970 N LYS A 283 -8.745 -0.485 -6.614 1.00 0.10 N ATOM 971 CA LYS A 283 -8.854 0.442 -5.489 1.00 0.10 C ATOM 972 C LYS A 283 -7.552 1.176 -5.376 1.00 0.09 C ATOM 973 O LYS A 283 -6.502 0.594 -5.597 1.00 0.12 O ATOM 974 CB LYS A 283 -9.120 -0.193 -4.119 1.00 0.11 C ATOM 975 CG LYS A 283 -10.336 -1.101 -4.034 1.00 0.15 C ATOM 976 CD LYS A 283 -10.089 -2.454 -4.672 1.00 0.14 C ATOM 977 CE LYS A 283 -11.258 -3.383 -4.492 1.00 0.24 C ATOM 978 NZ LYS A 283 -11.058 -4.669 -5.210 1.00 0.38 N ATOM 0 H LYS A 283 -8.226 -1.342 -6.424 1.00 0.10 H new ATOM 0 HA LYS A 283 -9.717 1.069 -5.713 1.00 0.10 H new ATOM 0 HB2 LYS A 283 -8.240 -0.768 -3.829 1.00 0.11 H new ATOM 0 HB3 LYS A 283 -9.235 0.605 -3.386 1.00 0.11 H new ATOM 0 HG2 LYS A 283 -10.611 -1.240 -2.988 1.00 0.15 H new ATOM 0 HG3 LYS A 283 -11.182 -0.619 -4.525 1.00 0.15 H new ATOM 0 HD2 LYS A 283 -9.891 -2.323 -5.736 1.00 0.14 H new ATOM 0 HD3 LYS A 283 -9.198 -2.904 -4.235 1.00 0.14 H new ATOM 0 HE2 LYS A 283 -11.406 -3.579 -3.430 1.00 0.24 H new ATOM 0 HE3 LYS A 283 -12.165 -2.901 -4.857 1.00 0.24 H new ATOM 0 HZ1 LYS A 283 -11.885 -5.282 -5.061 1.00 0.38 H new ATOM 0 HZ2 LYS A 283 -10.942 -4.484 -6.227 1.00 0.38 H new ATOM 0 HZ3 LYS A 283 -10.207 -5.142 -4.845 1.00 0.38 H new ATOM 992 N ARG A 284 -7.612 2.430 -5.018 1.00 0.07 N ATOM 993 CA ARG A 284 -6.410 3.225 -4.877 1.00 0.09 C ATOM 994 C ARG A 284 -6.509 4.112 -3.660 1.00 0.11 C ATOM 995 O ARG A 284 -7.601 4.525 -3.278 1.00 0.13 O ATOM 996 CB ARG A 284 -6.166 4.074 -6.093 1.00 0.11 C ATOM 997 CG ARG A 284 -6.390 3.304 -7.360 1.00 0.20 C ATOM 998 CD ARG A 284 -5.703 3.964 -8.528 1.00 0.35 C ATOM 999 NE ARG A 284 -6.196 3.473 -9.810 1.00 0.68 N ATOM 1000 CZ ARG A 284 -5.646 3.778 -10.984 1.00 1.10 C ATOM 1001 NH1 ARG A 284 -4.562 4.546 -11.036 1.00 1.42 N ATOM 1002 NH2 ARG A 284 -6.181 3.317 -12.106 1.00 1.46 N ATOM 0 H ARG A 284 -8.479 2.929 -4.817 1.00 0.07 H new ATOM 0 HA ARG A 284 -5.573 2.536 -4.763 1.00 0.09 H new ATOM 0 HB2 ARG A 284 -6.828 4.940 -6.071 1.00 0.11 H new ATOM 0 HB3 ARG A 284 -5.144 4.453 -6.073 1.00 0.11 H new ATOM 0 HG2 ARG A 284 -6.015 2.287 -7.242 1.00 0.20 H new ATOM 0 HG3 ARG A 284 -7.459 3.229 -7.559 1.00 0.20 H new ATOM 0 HD2 ARG A 284 -5.853 5.042 -8.473 1.00 0.35 H new ATOM 0 HD3 ARG A 284 -4.629 3.787 -8.462 1.00 0.35 H new ATOM 0 HE ARG A 284 -7.011 2.859 -9.807 1.00 0.68 H new ATOM 0 HH11 ARG A 284 -4.149 4.904 -10.175 1.00 1.42 H new ATOM 0 HH12 ARG A 284 -4.144 4.777 -11.937 1.00 1.42 H new ATOM 0 HH21 ARG A 284 -7.014 2.729 -12.070 1.00 1.46 H new ATOM 0 HH22 ARG A 284 -5.760 3.550 -13.005 1.00 1.46 H new ATOM 1016 N GLY A 285 -5.378 4.417 -3.069 1.00 0.13 N ATOM 1017 CA GLY A 285 -5.389 5.161 -1.843 1.00 0.14 C ATOM 1018 C GLY A 285 -4.140 4.987 -1.027 1.00 0.15 C ATOM 1019 O GLY A 285 -3.264 4.240 -1.403 1.00 0.24 O ATOM 0 H GLY A 285 -4.453 4.163 -3.415 1.00 0.13 H new ATOM 0 HA2 GLY A 285 -5.521 6.219 -2.070 1.00 0.14 H new ATOM 0 HA3 GLY A 285 -6.249 4.853 -1.248 1.00 0.14 H new ATOM 1023 N HIS A 286 -4.078 5.634 0.117 1.00 0.11 N ATOM 1024 CA HIS A 286 -2.882 5.632 0.922 1.00 0.12 C ATOM 1025 C HIS A 286 -3.176 5.084 2.282 1.00 0.12 C ATOM 1026 O HIS A 286 -4.266 5.290 2.812 1.00 0.15 O ATOM 1027 CB HIS A 286 -2.307 7.042 1.046 1.00 0.14 C ATOM 1028 CG HIS A 286 -3.337 8.136 1.115 1.00 0.15 C ATOM 1029 ND1 HIS A 286 -4.281 8.236 2.119 1.00 0.21 N ATOM 1030 CD2 HIS A 286 -3.571 9.172 0.280 1.00 0.19 C ATOM 1031 CE1 HIS A 286 -5.054 9.284 1.892 1.00 0.25 C ATOM 1032 NE2 HIS A 286 -4.639 9.868 0.784 1.00 0.23 N ATOM 0 H HIS A 286 -4.850 6.171 0.510 1.00 0.11 H new ATOM 0 HA HIS A 286 -2.144 4.998 0.431 1.00 0.12 H new ATOM 0 HB2 HIS A 286 -1.686 7.089 1.940 1.00 0.14 H new ATOM 0 HB3 HIS A 286 -1.654 7.230 0.194 1.00 0.14 H new ATOM 0 HD1 HIS A 286 -4.368 7.600 2.912 1.00 0.21 H new ATOM 0 HD2 HIS A 286 -3.019 9.408 -0.618 1.00 0.19 H new ATOM 0 HE1 HIS A 286 -5.881 9.606 2.507 1.00 0.25 H new ATOM 1041 N PHE A 287 -2.188 4.422 2.853 1.00 0.10 N ATOM 1042 CA PHE A 287 -2.402 3.636 4.051 1.00 0.11 C ATOM 1043 C PHE A 287 -1.070 3.137 4.588 1.00 0.15 C ATOM 1044 O PHE A 287 -0.240 2.637 3.827 1.00 0.23 O ATOM 1045 CB PHE A 287 -3.300 2.424 3.749 1.00 0.12 C ATOM 1046 CG PHE A 287 -4.798 2.628 3.868 1.00 0.10 C ATOM 1047 CD1 PHE A 287 -5.361 3.422 4.861 1.00 0.12 C ATOM 1048 CD2 PHE A 287 -5.646 2.010 2.965 1.00 0.09 C ATOM 1049 CE1 PHE A 287 -6.730 3.590 4.941 1.00 0.13 C ATOM 1050 CE2 PHE A 287 -7.012 2.175 3.039 1.00 0.09 C ATOM 1051 CZ PHE A 287 -7.556 2.967 4.028 1.00 0.12 C ATOM 0 H PHE A 287 -1.229 4.413 2.506 1.00 0.10 H new ATOM 0 HA PHE A 287 -2.889 4.270 4.792 1.00 0.11 H new ATOM 0 HB2 PHE A 287 -3.084 2.087 2.735 1.00 0.12 H new ATOM 0 HB3 PHE A 287 -3.014 1.615 4.421 1.00 0.12 H new ATOM 0 HD1 PHE A 287 -4.720 3.913 5.578 1.00 0.12 H new ATOM 0 HD2 PHE A 287 -5.229 1.387 2.188 1.00 0.09 H new ATOM 0 HE1 PHE A 287 -7.154 4.209 5.718 1.00 0.13 H new ATOM 0 HE2 PHE A 287 -7.656 1.685 2.324 1.00 0.09 H new ATOM 0 HZ PHE A 287 -8.626 3.099 4.088 1.00 0.12 H new ATOM 1061 N PRO A 288 -0.844 3.284 5.899 1.00 0.17 N ATOM 1062 CA PRO A 288 0.334 2.759 6.583 1.00 0.23 C ATOM 1063 C PRO A 288 0.614 1.287 6.295 1.00 0.18 C ATOM 1064 O PRO A 288 -0.288 0.494 6.005 1.00 0.16 O ATOM 1065 CB PRO A 288 0.008 2.961 8.073 1.00 0.35 C ATOM 1066 CG PRO A 288 -1.438 3.306 8.110 1.00 0.33 C ATOM 1067 CD PRO A 288 -1.683 4.031 6.830 1.00 0.23 C ATOM 0 HA PRO A 288 1.236 3.271 6.247 1.00 0.23 H new ATOM 0 HB2 PRO A 288 0.212 2.057 8.647 1.00 0.35 H new ATOM 0 HB3 PRO A 288 0.614 3.757 8.505 1.00 0.35 H new ATOM 0 HG2 PRO A 288 -2.057 2.412 8.184 1.00 0.33 H new ATOM 0 HG3 PRO A 288 -1.675 3.931 8.971 1.00 0.33 H new ATOM 0 HD2 PRO A 288 -2.734 4.008 6.542 1.00 0.23 H new ATOM 0 HD3 PRO A 288 -1.392 5.080 6.892 1.00 0.23 H new ATOM 1075 N PHE A 289 1.885 0.939 6.373 1.00 0.23 N ATOM 1076 CA PHE A 289 2.329 -0.443 6.201 1.00 0.26 C ATOM 1077 C PHE A 289 1.982 -1.270 7.428 1.00 0.23 C ATOM 1078 O PHE A 289 2.058 -2.497 7.406 1.00 0.26 O ATOM 1079 CB PHE A 289 3.833 -0.504 5.932 1.00 0.38 C ATOM 1080 CG PHE A 289 4.427 -1.887 6.015 1.00 0.29 C ATOM 1081 CD1 PHE A 289 4.347 -2.748 4.939 1.00 0.26 C ATOM 1082 CD2 PHE A 289 5.055 -2.324 7.169 1.00 0.32 C ATOM 1083 CE1 PHE A 289 4.886 -4.020 5.005 1.00 0.26 C ATOM 1084 CE2 PHE A 289 5.594 -3.595 7.244 1.00 0.31 C ATOM 1085 CZ PHE A 289 5.507 -4.445 6.160 1.00 0.26 C ATOM 0 H PHE A 289 2.641 1.599 6.556 1.00 0.23 H new ATOM 0 HA PHE A 289 1.809 -0.859 5.338 1.00 0.26 H new ATOM 0 HB2 PHE A 289 4.029 -0.097 4.940 1.00 0.38 H new ATOM 0 HB3 PHE A 289 4.344 0.141 6.647 1.00 0.38 H new ATOM 0 HD1 PHE A 289 3.857 -2.424 4.033 1.00 0.26 H new ATOM 0 HD2 PHE A 289 5.125 -1.664 8.021 1.00 0.32 H new ATOM 0 HE1 PHE A 289 4.820 -4.680 4.152 1.00 0.26 H new ATOM 0 HE2 PHE A 289 6.083 -3.922 8.150 1.00 0.31 H new ATOM 0 HZ PHE A 289 5.924 -5.440 6.217 1.00 0.26 H new ATOM 1095 N THR A 290 1.553 -0.584 8.474 1.00 0.24 N ATOM 1096 CA THR A 290 1.237 -1.191 9.752 1.00 0.27 C ATOM 1097 C THR A 290 0.162 -2.277 9.645 1.00 0.23 C ATOM 1098 O THR A 290 -0.252 -2.844 10.657 1.00 0.28 O ATOM 1099 CB THR A 290 0.766 -0.106 10.730 1.00 0.36 C ATOM 1100 OG1 THR A 290 -0.331 0.612 10.153 1.00 0.62 O ATOM 1101 CG2 THR A 290 1.896 0.862 11.049 1.00 0.44 C ATOM 0 H THR A 290 1.413 0.426 8.457 1.00 0.24 H new ATOM 0 HA THR A 290 2.147 -1.670 10.113 1.00 0.27 H new ATOM 0 HB THR A 290 0.450 -0.586 11.656 1.00 0.36 H new ATOM 0 HG1 THR A 290 -0.340 1.529 10.499 1.00 0.62 H new ATOM 0 HG21 THR A 290 1.539 1.622 11.744 1.00 0.44 H new ATOM 0 HG22 THR A 290 2.725 0.317 11.502 1.00 0.44 H new ATOM 0 HG23 THR A 290 2.235 1.341 10.130 1.00 0.44 H new ATOM 1109 N HIS A 291 -0.301 -2.567 8.428 1.00 0.17 N ATOM 1110 CA HIS A 291 -1.363 -3.525 8.248 1.00 0.16 C ATOM 1111 C HIS A 291 -1.348 -4.089 6.846 1.00 0.14 C ATOM 1112 O HIS A 291 -2.397 -4.403 6.277 1.00 0.13 O ATOM 1113 CB HIS A 291 -2.736 -2.942 8.591 1.00 0.20 C ATOM 1114 CG HIS A 291 -2.986 -1.513 8.192 1.00 0.30 C ATOM 1115 ND1 HIS A 291 -2.590 -0.979 6.988 1.00 0.40 N ATOM 1116 CD2 HIS A 291 -3.688 -0.537 8.816 1.00 0.94 C ATOM 1117 CE1 HIS A 291 -3.048 0.256 6.886 1.00 0.19 C ATOM 1118 NE2 HIS A 291 -3.721 0.552 7.978 1.00 0.77 N ATOM 0 H HIS A 291 0.048 -2.149 7.565 1.00 0.17 H new ATOM 0 HA HIS A 291 -1.181 -4.339 8.949 1.00 0.16 H new ATOM 0 HB2 HIS A 291 -3.497 -3.564 8.119 1.00 0.20 H new ATOM 0 HB3 HIS A 291 -2.880 -3.024 9.668 1.00 0.20 H new ATOM 0 HD2 HIS A 291 -4.140 -0.603 9.795 1.00 0.94 H new ATOM 0 HE1 HIS A 291 -2.895 0.915 6.044 1.00 0.19 H new ATOM 0 HE2 HIS A 291 -4.188 1.439 8.170 1.00 0.77 H new ATOM 1127 N VAL A 292 -0.159 -4.195 6.277 1.00 0.16 N ATOM 1128 CA VAL A 292 0.026 -4.994 5.086 1.00 0.15 C ATOM 1129 C VAL A 292 1.219 -5.877 5.220 1.00 0.19 C ATOM 1130 O VAL A 292 2.254 -5.517 5.778 1.00 0.22 O ATOM 1131 CB VAL A 292 0.162 -4.145 3.807 1.00 0.14 C ATOM 1132 CG1 VAL A 292 -1.086 -3.341 3.572 1.00 0.17 C ATOM 1133 CG2 VAL A 292 1.367 -3.233 3.884 1.00 0.31 C ATOM 0 H VAL A 292 0.686 -3.739 6.621 1.00 0.16 H new ATOM 0 HA VAL A 292 -0.875 -5.599 4.987 1.00 0.15 H new ATOM 0 HB VAL A 292 0.304 -4.825 2.967 1.00 0.14 H new ATOM 0 HG11 VAL A 292 -0.971 -2.748 2.665 1.00 0.17 H new ATOM 0 HG12 VAL A 292 -1.937 -4.014 3.461 1.00 0.17 H new ATOM 0 HG13 VAL A 292 -1.256 -2.678 4.420 1.00 0.17 H new ATOM 0 HG21 VAL A 292 1.438 -2.646 2.968 1.00 0.31 H new ATOM 0 HG22 VAL A 292 1.262 -2.563 4.737 1.00 0.31 H new ATOM 0 HG23 VAL A 292 2.270 -3.832 4.002 1.00 0.31 H new ATOM 1143 N ARG A 293 1.004 -7.063 4.753 1.00 0.22 N ATOM 1144 CA ARG A 293 2.051 -7.976 4.472 1.00 0.21 C ATOM 1145 C ARG A 293 2.330 -7.718 3.030 1.00 0.32 C ATOM 1146 O ARG A 293 1.491 -7.129 2.388 1.00 0.70 O ATOM 1147 CB ARG A 293 1.567 -9.399 4.638 1.00 0.19 C ATOM 1148 CG ARG A 293 0.440 -9.562 5.629 1.00 0.17 C ATOM 1149 CD ARG A 293 -0.349 -10.806 5.307 1.00 0.26 C ATOM 1150 NE ARG A 293 0.307 -12.032 5.764 1.00 0.27 N ATOM 1151 CZ ARG A 293 -0.232 -13.249 5.666 1.00 0.52 C ATOM 1152 NH1 ARG A 293 -1.453 -13.402 5.172 1.00 1.09 N ATOM 1153 NH2 ARG A 293 0.446 -14.308 6.086 1.00 0.60 N ATOM 0 H ARG A 293 0.073 -7.428 4.553 1.00 0.22 H new ATOM 0 HA ARG A 293 2.915 -7.853 5.125 1.00 0.21 H new ATOM 0 HB2 ARG A 293 1.239 -9.774 3.668 1.00 0.19 H new ATOM 0 HB3 ARG A 293 2.405 -10.021 4.954 1.00 0.19 H new ATOM 0 HG2 ARG A 293 0.840 -9.626 6.641 1.00 0.17 H new ATOM 0 HG3 ARG A 293 -0.212 -8.689 5.599 1.00 0.17 H new ATOM 0 HD2 ARG A 293 -1.334 -10.734 5.767 1.00 0.26 H new ATOM 0 HD3 ARG A 293 -0.504 -10.863 4.230 1.00 0.26 H new ATOM 0 HE ARG A 293 1.233 -11.951 6.183 1.00 0.27 H new ATOM 0 HH11 ARG A 293 -1.985 -12.587 4.865 1.00 1.09 H new ATOM 0 HH12 ARG A 293 -1.861 -14.334 5.099 1.00 1.09 H new ATOM 0 HH21 ARG A 293 1.378 -14.192 6.483 1.00 0.60 H new ATOM 0 HH22 ARG A 293 0.035 -15.239 6.012 1.00 0.60 H new ATOM 1167 N LEU A 294 3.461 -8.058 2.509 1.00 0.18 N ATOM 1168 CA LEU A 294 3.593 -7.955 1.074 1.00 0.18 C ATOM 1169 C LEU A 294 3.583 -9.301 0.365 1.00 0.21 C ATOM 1170 O LEU A 294 3.507 -10.361 0.984 1.00 0.30 O ATOM 1171 CB LEU A 294 4.830 -7.199 0.623 1.00 0.22 C ATOM 1172 CG LEU A 294 5.212 -5.926 1.378 1.00 0.30 C ATOM 1173 CD1 LEU A 294 6.275 -5.185 0.594 1.00 0.66 C ATOM 1174 CD2 LEU A 294 4.016 -5.022 1.627 1.00 0.58 C ATOM 0 H LEU A 294 4.279 -8.396 3.016 1.00 0.18 H new ATOM 0 HA LEU A 294 2.706 -7.388 0.789 1.00 0.18 H new ATOM 0 HB2 LEU A 294 5.676 -7.884 0.675 1.00 0.22 H new ATOM 0 HB3 LEU A 294 4.696 -6.937 -0.426 1.00 0.22 H new ATOM 0 HG LEU A 294 5.598 -6.216 2.355 1.00 0.30 H new ATOM 0 HD11 LEU A 294 6.552 -4.275 1.127 1.00 0.66 H new ATOM 0 HD12 LEU A 294 7.153 -5.821 0.480 1.00 0.66 H new ATOM 0 HD13 LEU A 294 5.886 -4.924 -0.390 1.00 0.66 H new ATOM 0 HD21 LEU A 294 4.339 -4.131 2.166 1.00 0.58 H new ATOM 0 HD22 LEU A 294 3.576 -4.729 0.674 1.00 0.58 H new ATOM 0 HD23 LEU A 294 3.274 -5.556 2.220 1.00 0.58 H new ATOM 1186 N LEU A 295 3.660 -9.203 -0.956 1.00 0.20 N ATOM 1187 CA LEU A 295 3.647 -10.312 -1.859 1.00 0.22 C ATOM 1188 C LEU A 295 4.656 -10.059 -2.973 1.00 0.28 C ATOM 1189 O LEU A 295 5.606 -9.299 -2.793 1.00 0.31 O ATOM 1190 CB LEU A 295 2.273 -10.404 -2.476 1.00 0.23 C ATOM 1191 CG LEU A 295 1.583 -11.744 -2.351 1.00 0.25 C ATOM 1192 CD1 LEU A 295 1.016 -11.853 -0.962 1.00 0.29 C ATOM 1193 CD2 LEU A 295 0.494 -11.897 -3.402 1.00 0.28 C ATOM 0 H LEU A 295 3.736 -8.304 -1.432 1.00 0.20 H new ATOM 0 HA LEU A 295 3.897 -11.231 -1.328 1.00 0.22 H new ATOM 0 HB2 LEU A 295 1.638 -9.646 -2.018 1.00 0.23 H new ATOM 0 HB3 LEU A 295 2.353 -10.155 -3.534 1.00 0.23 H new ATOM 0 HG LEU A 295 2.300 -12.547 -2.520 1.00 0.25 H new ATOM 0 HD11 LEU A 295 0.513 -12.813 -0.849 1.00 0.29 H new ATOM 0 HD12 LEU A 295 1.823 -11.778 -0.233 1.00 0.29 H new ATOM 0 HD13 LEU A 295 0.301 -11.047 -0.797 1.00 0.29 H new ATOM 0 HD21 LEU A 295 0.014 -12.869 -3.290 1.00 0.28 H new ATOM 0 HD22 LEU A 295 -0.248 -11.109 -3.274 1.00 0.28 H new ATOM 0 HD23 LEU A 295 0.935 -11.823 -4.396 1.00 0.28 H new ATOM 1205 N ASP A 296 4.408 -10.653 -4.139 1.00 0.39 N ATOM 1206 CA ASP A 296 5.293 -10.508 -5.281 1.00 0.50 C ATOM 1207 C ASP A 296 5.178 -9.117 -5.919 1.00 0.73 C ATOM 1208 O ASP A 296 5.723 -8.161 -5.388 1.00 1.81 O ATOM 1209 CB ASP A 296 5.039 -11.623 -6.305 1.00 0.84 C ATOM 1210 CG ASP A 296 3.572 -11.814 -6.633 1.00 1.76 C ATOM 1211 OD1 ASP A 296 2.838 -12.350 -5.789 1.00 2.44 O ATOM 1212 OD2 ASP A 296 3.145 -11.413 -7.737 1.00 2.42 O ATOM 0 H ASP A 296 3.594 -11.242 -4.313 1.00 0.39 H new ATOM 0 HA ASP A 296 6.318 -10.605 -4.924 1.00 0.50 H new ATOM 0 HB2 ASP A 296 5.582 -11.395 -7.222 1.00 0.84 H new ATOM 0 HB3 ASP A 296 5.443 -12.559 -5.920 1.00 0.84 H new ATOM 1217 N GLN A 297 4.455 -8.986 -7.030 1.00 0.53 N ATOM 1218 CA GLN A 297 4.444 -7.733 -7.786 1.00 0.41 C ATOM 1219 C GLN A 297 3.305 -7.702 -8.804 1.00 0.64 C ATOM 1220 O GLN A 297 3.324 -8.505 -9.757 1.00 1.25 O ATOM 1221 CB GLN A 297 5.797 -7.574 -8.475 1.00 0.51 C ATOM 1222 CG GLN A 297 6.195 -8.757 -9.340 1.00 0.88 C ATOM 1223 CD GLN A 297 7.669 -8.747 -9.690 1.00 0.87 C ATOM 1224 OE1 GLN A 297 8.497 -8.294 -8.761 1.00 1.02 O flip ATOM 1225 NE2 GLN A 297 8.066 -9.168 -10.779 1.00 1.02 N flip ATOM 1226 OXT GLN A 297 2.393 -6.864 -8.651 1.00 1.41 O ATOM 0 H GLN A 297 3.873 -9.725 -7.425 1.00 0.53 H new ATOM 0 HA GLN A 297 4.275 -6.901 -7.103 1.00 0.41 H new ATOM 0 HB2 GLN A 297 5.775 -6.677 -9.093 1.00 0.51 H new ATOM 0 HB3 GLN A 297 6.563 -7.419 -7.716 1.00 0.51 H new ATOM 0 HG2 GLN A 297 5.955 -9.683 -8.817 1.00 0.88 H new ATOM 0 HG3 GLN A 297 5.606 -8.747 -10.257 1.00 0.88 H new ATOM 0 HE21 GLN A 297 7.396 -9.509 -11.469 1.00 1.02 H new ATOM 0 HE22 GLN A 297 9.064 -9.175 -10.990 1.00 1.02 H new