USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 458 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 240 TYR OH : rot -33:sc= 0.239 USER MOD Set 1.2: A 281 ASN :FLIP amide:sc= 0.204 F(o=-0.13,f=0.44) 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= -1.74 K(o=-1.7,f=-8.9!) 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 52:sc= 0.537 USER MOD Single : A 266 LYS NZ :NH3+ 167:sc= 1.13 (180deg=1.06) USER MOD Single : A 268 THR OG1 : rot -21:sc= 0.976 USER MOD Single : A 269 LYS NZ :NH3+ -157:sc= -0.0232 (180deg=-0.184) USER MOD Single : A 280 CYS SG : rot -44:sc= -21! USER MOD Single : A 283 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 HIS : no HD1:sc= -0.631 K(o=-0.62,f=-2.3!) USER MOD Single : A 290 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 291 HIS :FLIP no HE2:sc= -0.652 F(o=-1.3,f=-0.65) USER MOD Single : A 297 GLN : amide:sc= 0.0947 X(o=0.095,f=0) USER MOD ----------------------------------------------------------------- ATOM 262 N PRO A 238 6.397 -2.091 -8.150 1.00 0.40 N ATOM 263 CA PRO A 238 5.555 -2.212 -6.961 1.00 0.28 C ATOM 264 C PRO A 238 5.203 -3.608 -6.614 1.00 0.28 C ATOM 265 O PRO A 238 5.048 -4.489 -7.460 1.00 0.41 O ATOM 266 CB PRO A 238 4.334 -1.379 -7.292 1.00 0.25 C ATOM 267 CG PRO A 238 4.233 -1.449 -8.766 1.00 0.59 C ATOM 268 CD PRO A 238 5.654 -1.502 -9.271 1.00 0.43 C ATOM 0 HA PRO A 238 6.078 -1.866 -6.070 1.00 0.28 H new ATOM 0 HB2 PRO A 238 3.439 -1.776 -6.813 1.00 0.25 H new ATOM 0 HB3 PRO A 238 4.449 -0.351 -6.949 1.00 0.25 H new ATOM 0 HG2 PRO A 238 3.673 -2.331 -9.079 1.00 0.59 H new ATOM 0 HG3 PRO A 238 3.708 -0.581 -9.164 1.00 0.59 H new ATOM 0 HD2 PRO A 238 5.737 -2.111 -10.171 1.00 0.43 H new ATOM 0 HD3 PRO A 238 6.028 -0.509 -9.522 1.00 0.43 H new ATOM 276 N PHE A 239 5.121 -3.778 -5.329 1.00 0.24 N ATOM 277 CA PHE A 239 5.007 -5.069 -4.750 1.00 0.26 C ATOM 278 C PHE A 239 3.567 -5.373 -4.438 1.00 0.22 C ATOM 279 O PHE A 239 2.768 -4.462 -4.233 1.00 0.26 O ATOM 280 CB PHE A 239 5.854 -5.164 -3.483 1.00 0.38 C ATOM 281 CG PHE A 239 7.346 -5.157 -3.698 1.00 0.48 C ATOM 282 CD1 PHE A 239 7.912 -5.716 -4.831 1.00 0.56 C ATOM 283 CD2 PHE A 239 8.183 -4.616 -2.739 1.00 0.66 C ATOM 284 CE1 PHE A 239 9.281 -5.733 -5.004 1.00 0.71 C ATOM 285 CE2 PHE A 239 9.554 -4.626 -2.906 1.00 0.79 C ATOM 286 CZ PHE A 239 10.104 -5.188 -4.039 1.00 0.78 C ATOM 0 H PHE A 239 5.132 -3.014 -4.653 1.00 0.24 H new ATOM 0 HA PHE A 239 5.374 -5.804 -5.467 1.00 0.26 H new ATOM 0 HB2 PHE A 239 5.595 -4.331 -2.830 1.00 0.38 H new ATOM 0 HB3 PHE A 239 5.585 -6.079 -2.955 1.00 0.38 H new ATOM 0 HD1 PHE A 239 7.274 -6.144 -5.590 1.00 0.56 H new ATOM 0 HD2 PHE A 239 7.759 -4.180 -1.847 1.00 0.66 H new ATOM 0 HE1 PHE A 239 9.708 -6.172 -5.893 1.00 0.71 H new ATOM 0 HE2 PHE A 239 10.194 -4.195 -2.151 1.00 0.79 H new ATOM 0 HZ PHE A 239 11.176 -5.202 -4.171 1.00 0.78 H new ATOM 296 N TYR A 240 3.245 -6.644 -4.348 1.00 0.22 N ATOM 297 CA TYR A 240 1.909 -7.037 -4.077 1.00 0.21 C ATOM 298 C TYR A 240 1.863 -7.112 -2.609 1.00 0.19 C ATOM 299 O TYR A 240 2.886 -7.317 -1.980 1.00 0.23 O ATOM 300 CB TYR A 240 1.581 -8.389 -4.715 1.00 0.24 C ATOM 301 CG TYR A 240 0.436 -8.380 -5.711 1.00 0.36 C ATOM 302 CD1 TYR A 240 -0.143 -7.197 -6.160 1.00 0.43 C ATOM 303 CD2 TYR A 240 -0.085 -9.578 -6.185 1.00 0.64 C ATOM 304 CE1 TYR A 240 -1.199 -7.211 -7.047 1.00 0.57 C ATOM 305 CE2 TYR A 240 -1.139 -9.598 -7.079 1.00 0.79 C ATOM 306 CZ TYR A 240 -1.693 -8.411 -7.504 1.00 0.69 C ATOM 307 OH TYR A 240 -2.749 -8.424 -8.386 1.00 0.88 O ATOM 0 H TYR A 240 3.903 -7.415 -4.461 1.00 0.22 H new ATOM 0 HA TYR A 240 1.175 -6.344 -4.489 1.00 0.21 H new ATOM 0 HB2 TYR A 240 2.474 -8.760 -5.218 1.00 0.24 H new ATOM 0 HB3 TYR A 240 1.344 -9.098 -3.922 1.00 0.24 H new ATOM 0 HD1 TYR A 240 0.241 -6.251 -5.808 1.00 0.43 H new ATOM 0 HD2 TYR A 240 0.342 -10.511 -5.848 1.00 0.64 H new ATOM 0 HE1 TYR A 240 -1.637 -6.282 -7.382 1.00 0.57 H new ATOM 0 HE2 TYR A 240 -1.526 -10.539 -7.442 1.00 0.79 H new ATOM 0 HH TYR A 240 -3.343 -7.668 -8.197 1.00 0.88 H new ATOM 317 N ALA A 241 0.749 -6.868 -2.043 1.00 0.14 N ATOM 318 CA ALA A 241 0.722 -6.762 -0.650 1.00 0.15 C ATOM 319 C ALA A 241 -0.536 -7.344 -0.074 1.00 0.11 C ATOM 320 O ALA A 241 -1.616 -6.847 -0.301 1.00 0.12 O ATOM 321 CB ALA A 241 0.880 -5.302 -0.331 1.00 0.24 C ATOM 0 H ALA A 241 -0.144 -6.740 -2.519 1.00 0.14 H new ATOM 0 HA ALA A 241 1.529 -7.337 -0.196 1.00 0.15 H new ATOM 0 HB1 ALA A 241 0.866 -5.162 0.750 1.00 0.24 H new ATOM 0 HB2 ALA A 241 1.828 -4.943 -0.731 1.00 0.24 H new ATOM 0 HB3 ALA A 241 0.061 -4.741 -0.780 1.00 0.24 H new ATOM 327 N ARG A 242 -0.396 -8.379 0.718 1.00 0.10 N ATOM 328 CA ARG A 242 -1.552 -8.972 1.333 1.00 0.08 C ATOM 329 C ARG A 242 -1.950 -8.114 2.507 1.00 0.08 C ATOM 330 O ARG A 242 -1.336 -8.165 3.569 1.00 0.11 O ATOM 331 CB ARG A 242 -1.262 -10.388 1.801 1.00 0.10 C ATOM 332 CG ARG A 242 -2.392 -11.041 2.599 1.00 0.10 C ATOM 333 CD ARG A 242 -3.524 -11.527 1.716 1.00 0.11 C ATOM 334 NE ARG A 242 -3.082 -12.388 0.619 1.00 0.18 N ATOM 335 CZ ARG A 242 -3.893 -12.796 -0.357 1.00 0.35 C ATOM 336 NH1 ARG A 242 -5.183 -12.480 -0.320 1.00 0.51 N ATOM 337 NH2 ARG A 242 -3.429 -13.539 -1.353 1.00 0.43 N ATOM 0 H ARG A 242 0.494 -8.821 0.948 1.00 0.10 H new ATOM 0 HA ARG A 242 -2.361 -9.027 0.604 1.00 0.08 H new ATOM 0 HB2 ARG A 242 -1.046 -11.007 0.930 1.00 0.10 H new ATOM 0 HB3 ARG A 242 -0.362 -10.376 2.415 1.00 0.10 H new ATOM 0 HG2 ARG A 242 -1.992 -11.881 3.167 1.00 0.10 H new ATOM 0 HG3 ARG A 242 -2.782 -10.325 3.322 1.00 0.10 H new ATOM 0 HD2 ARG A 242 -4.243 -12.072 2.328 1.00 0.11 H new ATOM 0 HD3 ARG A 242 -4.047 -10.665 1.302 1.00 0.11 H new ATOM 0 HE ARG A 242 -2.108 -12.690 0.600 1.00 0.18 H new ATOM 0 HH11 ARG A 242 -5.550 -11.926 0.454 1.00 0.51 H new ATOM 0 HH12 ARG A 242 -5.806 -12.791 -1.066 1.00 0.51 H new ATOM 0 HH21 ARG A 242 -2.444 -13.803 -1.376 1.00 0.43 H new ATOM 0 HH22 ARG A 242 -4.057 -13.847 -2.095 1.00 0.43 H new ATOM 351 N VAL A 243 -2.963 -7.319 2.307 1.00 0.07 N ATOM 352 CA VAL A 243 -3.434 -6.440 3.321 1.00 0.08 C ATOM 353 C VAL A 243 -3.963 -7.249 4.480 1.00 0.11 C ATOM 354 O VAL A 243 -4.476 -8.343 4.291 1.00 0.14 O ATOM 355 CB VAL A 243 -4.524 -5.520 2.767 1.00 0.10 C ATOM 356 CG1 VAL A 243 -5.726 -6.311 2.292 1.00 0.14 C ATOM 357 CG2 VAL A 243 -4.926 -4.555 3.831 1.00 0.18 C ATOM 0 H VAL A 243 -3.482 -7.268 1.431 1.00 0.07 H new ATOM 0 HA VAL A 243 -2.609 -5.817 3.667 1.00 0.08 H new ATOM 0 HB VAL A 243 -4.128 -4.982 1.906 1.00 0.10 H new ATOM 0 HG11 VAL A 243 -6.481 -5.627 1.905 1.00 0.14 H new ATOM 0 HG12 VAL A 243 -5.420 -6.999 1.504 1.00 0.14 H new ATOM 0 HG13 VAL A 243 -6.142 -6.877 3.126 1.00 0.14 H new ATOM 0 HG21 VAL A 243 -5.703 -3.894 3.448 1.00 0.18 H new ATOM 0 HG22 VAL A 243 -5.308 -5.102 4.693 1.00 0.18 H new ATOM 0 HG23 VAL A 243 -4.061 -3.963 4.131 1.00 0.18 H new ATOM 367 N ILE A 244 -3.810 -6.736 5.681 1.00 0.12 N ATOM 368 CA ILE A 244 -4.300 -7.456 6.843 1.00 0.16 C ATOM 369 C ILE A 244 -5.100 -6.565 7.738 1.00 0.13 C ATOM 370 O ILE A 244 -5.489 -6.973 8.821 1.00 0.17 O ATOM 371 CB ILE A 244 -3.200 -8.064 7.708 1.00 0.30 C ATOM 372 CG1 ILE A 244 -2.133 -7.014 8.000 1.00 0.43 C ATOM 373 CG2 ILE A 244 -2.647 -9.288 7.040 1.00 0.37 C ATOM 374 CD1 ILE A 244 -1.413 -7.209 9.315 1.00 0.61 C ATOM 0 H ILE A 244 -3.361 -5.842 5.880 1.00 0.12 H new ATOM 0 HA ILE A 244 -4.905 -8.258 6.420 1.00 0.16 H new ATOM 0 HB ILE A 244 -3.606 -8.381 8.668 1.00 0.30 H new ATOM 0 HG12 ILE A 244 -1.400 -7.023 7.193 1.00 0.43 H new ATOM 0 HG13 ILE A 244 -2.599 -6.029 7.997 1.00 0.43 H new ATOM 0 HG21 ILE A 244 -1.862 -9.718 7.662 1.00 0.37 H new ATOM 0 HG22 ILE A 244 -3.444 -10.019 6.903 1.00 0.37 H new ATOM 0 HG23 ILE A 244 -2.233 -9.017 6.069 1.00 0.37 H new ATOM 0 HD11 ILE A 244 -0.672 -6.420 9.444 1.00 0.61 H new ATOM 0 HD12 ILE A 244 -2.132 -7.169 10.133 1.00 0.61 H new ATOM 0 HD13 ILE A 244 -0.915 -8.179 9.317 1.00 0.61 H new ATOM 386 N GLN A 245 -5.299 -5.346 7.297 1.00 0.11 N ATOM 387 CA GLN A 245 -6.129 -4.393 8.010 1.00 0.12 C ATOM 388 C GLN A 245 -6.339 -3.178 7.148 1.00 0.11 C ATOM 389 O GLN A 245 -5.477 -2.311 7.029 1.00 0.12 O ATOM 390 CB GLN A 245 -5.520 -3.992 9.362 1.00 0.15 C ATOM 391 CG GLN A 245 -5.995 -4.827 10.533 1.00 0.21 C ATOM 392 CD GLN A 245 -5.704 -4.168 11.866 1.00 0.33 C ATOM 393 OE1 GLN A 245 -6.507 -3.389 12.379 1.00 1.05 O ATOM 394 NE2 GLN A 245 -4.552 -4.480 12.436 1.00 1.20 N ATOM 0 H GLN A 245 -4.892 -4.983 6.435 1.00 0.11 H new ATOM 0 HA GLN A 245 -7.086 -4.869 8.223 1.00 0.12 H new ATOM 0 HB2 GLN A 245 -4.435 -4.067 9.295 1.00 0.15 H new ATOM 0 HB3 GLN A 245 -5.756 -2.946 9.557 1.00 0.15 H new ATOM 0 HG2 GLN A 245 -7.067 -4.999 10.442 1.00 0.21 H new ATOM 0 HG3 GLN A 245 -5.511 -5.803 10.500 1.00 0.21 H new ATOM 0 HE21 GLN A 245 -3.915 -5.131 11.976 1.00 1.20 H new ATOM 0 HE22 GLN A 245 -4.301 -4.070 13.335 1.00 1.20 H new ATOM 403 N LYS A 246 -7.459 -3.177 6.482 1.00 0.12 N ATOM 404 CA LYS A 246 -7.863 -2.069 5.665 1.00 0.12 C ATOM 405 C LYS A 246 -9.342 -1.839 5.887 1.00 0.15 C ATOM 406 O LYS A 246 -10.028 -2.695 6.447 1.00 0.19 O ATOM 407 CB LYS A 246 -7.532 -2.388 4.220 1.00 0.12 C ATOM 408 CG LYS A 246 -7.183 -1.193 3.316 1.00 0.13 C ATOM 409 CD LYS A 246 -5.793 -1.328 2.720 1.00 0.14 C ATOM 410 CE LYS A 246 -4.747 -0.910 3.696 1.00 0.16 C ATOM 411 NZ LYS A 246 -3.384 -1.006 3.104 1.00 0.21 N ATOM 0 H LYS A 246 -8.122 -3.952 6.491 1.00 0.12 H new ATOM 0 HA LYS A 246 -7.336 -1.152 5.926 1.00 0.12 H new ATOM 0 HB2 LYS A 246 -6.692 -3.082 4.208 1.00 0.12 H new ATOM 0 HB3 LYS A 246 -8.383 -2.910 3.782 1.00 0.12 H new ATOM 0 HG2 LYS A 246 -7.917 -1.117 2.514 1.00 0.13 H new ATOM 0 HG3 LYS A 246 -7.244 -0.270 3.893 1.00 0.13 H new ATOM 0 HD2 LYS A 246 -5.622 -2.362 2.419 1.00 0.14 H new ATOM 0 HD3 LYS A 246 -5.719 -0.718 1.820 1.00 0.14 H new ATOM 0 HE2 LYS A 246 -4.935 0.115 4.017 1.00 0.16 H new ATOM 0 HE3 LYS A 246 -4.805 -1.538 4.585 1.00 0.16 H new ATOM 0 HZ1 LYS A 246 -2.678 -0.708 3.808 1.00 0.21 H new ATOM 0 HZ2 LYS A 246 -3.197 -1.989 2.820 1.00 0.21 H new ATOM 0 HZ3 LYS A 246 -3.323 -0.388 2.270 1.00 0.21 H new ATOM 425 N ARG A 247 -9.830 -0.710 5.467 1.00 0.16 N ATOM 426 CA ARG A 247 -11.218 -0.394 5.603 1.00 0.16 C ATOM 427 C ARG A 247 -11.864 -0.605 4.253 1.00 0.14 C ATOM 428 O ARG A 247 -11.157 -0.844 3.276 1.00 0.14 O ATOM 429 CB ARG A 247 -11.375 1.052 6.058 1.00 0.17 C ATOM 430 CG ARG A 247 -11.111 2.072 4.962 1.00 0.18 C ATOM 431 CD ARG A 247 -11.179 3.492 5.486 1.00 0.23 C ATOM 432 NE ARG A 247 -12.555 3.913 5.732 1.00 0.49 N ATOM 433 CZ ARG A 247 -13.051 5.085 5.347 1.00 0.63 C ATOM 434 NH1 ARG A 247 -12.271 5.968 4.733 1.00 1.63 N ATOM 435 NH2 ARG A 247 -14.322 5.381 5.586 1.00 0.63 N ATOM 0 H ARG A 247 -9.274 0.019 5.019 1.00 0.16 H new ATOM 0 HA ARG A 247 -11.694 -1.030 6.349 1.00 0.16 H new ATOM 0 HB2 ARG A 247 -12.386 1.195 6.439 1.00 0.17 H new ATOM 0 HB3 ARG A 247 -10.692 1.238 6.887 1.00 0.17 H new ATOM 0 HG2 ARG A 247 -10.128 1.892 4.527 1.00 0.18 H new ATOM 0 HG3 ARG A 247 -11.841 1.944 4.163 1.00 0.18 H new ATOM 0 HD2 ARG A 247 -10.605 3.567 6.410 1.00 0.23 H new ATOM 0 HD3 ARG A 247 -10.715 4.167 4.767 1.00 0.23 H new ATOM 0 HE ARG A 247 -13.172 3.270 6.228 1.00 0.49 H new ATOM 0 HH11 ARG A 247 -11.291 5.747 4.557 1.00 1.63 H new ATOM 0 HH12 ARG A 247 -12.652 6.867 4.438 1.00 1.63 H new ATOM 0 HH21 ARG A 247 -14.921 4.709 6.066 1.00 0.63 H new ATOM 0 HH22 ARG A 247 -14.701 6.281 5.290 1.00 0.63 H new ATOM 449 N VAL A 248 -13.177 -0.604 4.188 1.00 0.15 N ATOM 450 CA VAL A 248 -13.830 -0.464 2.916 1.00 0.15 C ATOM 451 C VAL A 248 -14.191 1.000 2.704 1.00 0.14 C ATOM 452 O VAL A 248 -15.213 1.493 3.192 1.00 0.16 O ATOM 453 CB VAL A 248 -15.062 -1.378 2.775 1.00 0.19 C ATOM 454 CG1 VAL A 248 -15.967 -0.885 1.663 1.00 0.21 C ATOM 455 CG2 VAL A 248 -14.615 -2.798 2.484 1.00 0.21 C ATOM 0 H VAL A 248 -13.801 -0.697 4.990 1.00 0.15 H new ATOM 0 HA VAL A 248 -13.138 -0.786 2.138 1.00 0.15 H new ATOM 0 HB VAL A 248 -15.620 -1.358 3.711 1.00 0.19 H new ATOM 0 HG11 VAL A 248 -16.832 -1.543 1.579 1.00 0.21 H new ATOM 0 HG12 VAL A 248 -16.302 0.127 1.889 1.00 0.21 H new ATOM 0 HG13 VAL A 248 -15.419 -0.884 0.721 1.00 0.21 H new ATOM 0 HG21 VAL A 248 -15.489 -3.442 2.385 1.00 0.21 H new ATOM 0 HG22 VAL A 248 -14.044 -2.817 1.556 1.00 0.21 H new ATOM 0 HG23 VAL A 248 -13.991 -3.158 3.302 1.00 0.21 H new ATOM 465 N PRO A 249 -13.283 1.736 2.062 1.00 0.13 N ATOM 466 CA PRO A 249 -13.505 3.067 1.625 1.00 0.15 C ATOM 467 C PRO A 249 -13.827 3.072 0.143 1.00 0.16 C ATOM 468 O PRO A 249 -14.443 2.143 -0.385 1.00 0.17 O ATOM 469 CB PRO A 249 -12.138 3.721 1.884 1.00 0.16 C ATOM 470 CG PRO A 249 -11.141 2.597 1.830 1.00 0.14 C ATOM 471 CD PRO A 249 -11.935 1.339 1.712 1.00 0.13 C ATOM 0 HA PRO A 249 -14.333 3.573 2.122 1.00 0.15 H new ATOM 0 HB2 PRO A 249 -11.917 4.479 1.133 1.00 0.16 H new ATOM 0 HB3 PRO A 249 -12.118 4.218 2.854 1.00 0.16 H new ATOM 0 HG2 PRO A 249 -10.469 2.714 0.980 1.00 0.14 H new ATOM 0 HG3 PRO A 249 -10.521 2.583 2.727 1.00 0.14 H new ATOM 0 HD2 PRO A 249 -11.889 0.932 0.702 1.00 0.13 H new ATOM 0 HD3 PRO A 249 -11.560 0.567 2.384 1.00 0.13 H new ATOM 479 N ASN A 250 -13.393 4.110 -0.510 1.00 0.17 N ATOM 480 CA ASN A 250 -13.393 4.178 -1.947 1.00 0.20 C ATOM 481 C ASN A 250 -12.404 5.235 -2.369 1.00 0.21 C ATOM 482 O ASN A 250 -11.760 5.864 -1.526 1.00 0.19 O ATOM 483 CB ASN A 250 -14.781 4.488 -2.527 1.00 0.24 C ATOM 484 CG ASN A 250 -15.502 5.613 -1.805 1.00 0.69 C ATOM 485 OD1 ASN A 250 -14.882 6.529 -1.278 1.00 1.18 O ATOM 486 ND2 ASN A 250 -16.823 5.546 -1.773 1.00 1.28 N ATOM 0 H ASN A 250 -13.024 4.945 -0.056 1.00 0.17 H new ATOM 0 HA ASN A 250 -13.110 3.200 -2.337 1.00 0.20 H new ATOM 0 HB2 ASN A 250 -14.676 4.751 -3.579 1.00 0.24 H new ATOM 0 HB3 ASN A 250 -15.394 3.588 -2.483 1.00 0.24 H new ATOM 0 HD21 ASN A 250 -17.359 6.272 -1.298 1.00 1.28 H new ATOM 0 HD22 ASN A 250 -17.305 4.768 -2.223 1.00 1.28 H new ATOM 493 N ALA A 251 -12.276 5.438 -3.657 1.00 0.26 N ATOM 494 CA ALA A 251 -11.370 6.440 -4.161 1.00 0.31 C ATOM 495 C ALA A 251 -11.918 7.841 -3.936 1.00 0.37 C ATOM 496 O ALA A 251 -11.211 8.832 -4.106 1.00 0.42 O ATOM 497 CB ALA A 251 -11.091 6.194 -5.633 1.00 0.39 C ATOM 0 H ALA A 251 -12.787 4.924 -4.374 1.00 0.26 H new ATOM 0 HA ALA A 251 -10.432 6.365 -3.611 1.00 0.31 H new ATOM 0 HB1 ALA A 251 -10.406 6.955 -6.006 1.00 0.39 H new ATOM 0 HB2 ALA A 251 -10.642 5.209 -5.758 1.00 0.39 H new ATOM 0 HB3 ALA A 251 -12.025 6.241 -6.193 1.00 0.39 H new ATOM 503 N TYR A 252 -13.177 7.917 -3.549 1.00 0.39 N ATOM 504 CA TYR A 252 -13.806 9.190 -3.248 1.00 0.47 C ATOM 505 C TYR A 252 -13.329 9.671 -1.895 1.00 0.46 C ATOM 506 O TYR A 252 -13.187 10.868 -1.639 1.00 0.56 O ATOM 507 CB TYR A 252 -15.320 9.031 -3.217 1.00 0.57 C ATOM 508 CG TYR A 252 -15.916 8.482 -4.494 1.00 0.95 C ATOM 509 CD1 TYR A 252 -15.225 8.529 -5.700 1.00 1.30 C ATOM 510 CD2 TYR A 252 -17.183 7.923 -4.484 1.00 1.27 C ATOM 511 CE1 TYR A 252 -15.788 8.035 -6.861 1.00 1.80 C ATOM 512 CE2 TYR A 252 -17.752 7.424 -5.639 1.00 1.76 C ATOM 513 CZ TYR A 252 -17.051 7.482 -6.825 1.00 1.98 C ATOM 514 OH TYR A 252 -17.621 6.989 -7.978 1.00 2.53 O ATOM 0 H TYR A 252 -13.788 7.108 -3.435 1.00 0.39 H new ATOM 0 HA TYR A 252 -13.538 9.913 -4.019 1.00 0.47 H new ATOM 0 HB2 TYR A 252 -15.587 8.370 -2.392 1.00 0.57 H new ATOM 0 HB3 TYR A 252 -15.771 10.001 -3.007 1.00 0.57 H new ATOM 0 HD1 TYR A 252 -14.234 8.958 -5.729 1.00 1.30 H new ATOM 0 HD2 TYR A 252 -17.735 7.877 -3.557 1.00 1.27 H new ATOM 0 HE1 TYR A 252 -15.242 8.082 -7.792 1.00 1.80 H new ATOM 0 HE2 TYR A 252 -18.741 6.991 -5.614 1.00 1.76 H new ATOM 0 HH TYR A 252 -18.512 6.634 -7.777 1.00 2.53 H new ATOM 524 N ASP A 253 -13.058 8.700 -1.050 1.00 0.40 N ATOM 525 CA ASP A 253 -12.681 8.915 0.309 1.00 0.43 C ATOM 526 C ASP A 253 -11.213 9.124 0.397 1.00 0.38 C ATOM 527 O ASP A 253 -10.480 8.185 0.726 1.00 0.34 O ATOM 528 CB ASP A 253 -12.955 7.653 1.074 1.00 0.44 C ATOM 529 CG ASP A 253 -13.712 7.874 2.370 1.00 0.56 C ATOM 530 OD1 ASP A 253 -14.960 7.840 2.345 1.00 0.80 O ATOM 531 OD2 ASP A 253 -13.069 8.058 3.420 1.00 0.88 O ATOM 0 H ASP A 253 -13.098 7.714 -1.308 1.00 0.40 H new ATOM 0 HA ASP A 253 -13.228 9.774 0.697 1.00 0.43 H new ATOM 0 HB2 ASP A 253 -13.526 6.973 0.442 1.00 0.44 H new ATOM 0 HB3 ASP A 253 -12.008 7.161 1.297 1.00 0.44 H new ATOM 536 N LYS A 254 -10.772 10.322 0.089 1.00 0.43 N ATOM 537 CA LYS A 254 -9.385 10.674 0.283 1.00 0.41 C ATOM 538 C LYS A 254 -8.496 9.814 -0.594 1.00 0.31 C ATOM 539 O LYS A 254 -7.273 9.868 -0.493 1.00 0.28 O ATOM 540 CB LYS A 254 -9.060 10.449 1.752 1.00 0.45 C ATOM 541 CG LYS A 254 -10.043 11.154 2.651 1.00 0.60 C ATOM 542 CD LYS A 254 -9.910 10.732 4.103 1.00 0.74 C ATOM 543 CE LYS A 254 -10.610 9.407 4.356 1.00 0.79 C ATOM 544 NZ LYS A 254 -10.640 9.063 5.800 1.00 1.32 N ATOM 0 H LYS A 254 -11.352 11.067 -0.296 1.00 0.43 H new ATOM 0 HA LYS A 254 -9.211 11.714 0.009 1.00 0.41 H new ATOM 0 HB2 LYS A 254 -9.070 9.381 1.968 1.00 0.45 H new ATOM 0 HB3 LYS A 254 -8.052 10.808 1.962 1.00 0.45 H new ATOM 0 HG2 LYS A 254 -9.893 12.231 2.574 1.00 0.60 H new ATOM 0 HG3 LYS A 254 -11.057 10.948 2.308 1.00 0.60 H new ATOM 0 HD2 LYS A 254 -8.855 10.645 4.364 1.00 0.74 H new ATOM 0 HD3 LYS A 254 -10.336 11.500 4.748 1.00 0.74 H new ATOM 0 HE2 LYS A 254 -11.629 9.456 3.973 1.00 0.79 H new ATOM 0 HE3 LYS A 254 -10.101 8.616 3.805 1.00 0.79 H new ATOM 0 HZ1 LYS A 254 -11.126 8.153 5.930 1.00 1.32 H new ATOM 0 HZ2 LYS A 254 -9.667 8.991 6.160 1.00 1.32 H new ATOM 0 HZ3 LYS A 254 -11.148 9.804 6.323 1.00 1.32 H new ATOM 558 N THR A 255 -9.147 9.031 -1.446 1.00 0.28 N ATOM 559 CA THR A 255 -8.542 7.951 -2.175 1.00 0.22 C ATOM 560 C THR A 255 -7.990 6.964 -1.178 1.00 0.15 C ATOM 561 O THR A 255 -6.883 7.116 -0.662 1.00 0.14 O ATOM 562 CB THR A 255 -7.479 8.373 -3.229 1.00 0.27 C ATOM 563 OG1 THR A 255 -6.997 9.699 -2.991 1.00 0.41 O ATOM 564 CG2 THR A 255 -8.068 8.294 -4.630 1.00 0.55 C ATOM 0 H THR A 255 -10.141 9.143 -1.646 1.00 0.28 H new ATOM 0 HA THR A 255 -9.322 7.494 -2.784 1.00 0.22 H new ATOM 0 HB THR A 255 -6.640 7.683 -3.141 1.00 0.27 H new ATOM 0 HG1 THR A 255 -6.705 9.779 -2.059 1.00 0.41 H new ATOM 0 HG21 THR A 255 -7.314 8.592 -5.359 1.00 0.55 H new ATOM 0 HG22 THR A 255 -8.386 7.272 -4.834 1.00 0.55 H new ATOM 0 HG23 THR A 255 -8.926 8.962 -4.702 1.00 0.55 H new ATOM 572 N ALA A 256 -8.863 6.060 -0.786 1.00 0.13 N ATOM 573 CA ALA A 256 -8.507 4.961 0.076 1.00 0.11 C ATOM 574 C ALA A 256 -8.832 3.610 -0.552 1.00 0.10 C ATOM 575 O ALA A 256 -9.603 3.509 -1.505 1.00 0.12 O ATOM 576 CB ALA A 256 -9.156 5.134 1.433 1.00 0.13 C ATOM 0 H ALA A 256 -9.845 6.070 -1.060 1.00 0.13 H new ATOM 0 HA ALA A 256 -7.426 4.972 0.214 1.00 0.11 H new ATOM 0 HB1 ALA A 256 -8.881 4.299 2.077 1.00 0.13 H new ATOM 0 HB2 ALA A 256 -8.815 6.067 1.883 1.00 0.13 H new ATOM 0 HB3 ALA A 256 -10.239 5.161 1.317 1.00 0.13 H new ATOM 582 N LEU A 257 -8.241 2.584 0.030 1.00 0.10 N ATOM 583 CA LEU A 257 -8.258 1.232 -0.512 1.00 0.09 C ATOM 584 C LEU A 257 -9.385 0.399 0.027 1.00 0.09 C ATOM 585 O LEU A 257 -9.418 0.103 1.219 1.00 0.11 O ATOM 586 CB LEU A 257 -6.965 0.535 -0.122 1.00 0.11 C ATOM 587 CG LEU A 257 -5.745 0.917 -0.890 1.00 0.19 C ATOM 588 CD1 LEU A 257 -6.145 1.426 -2.235 1.00 0.27 C ATOM 589 CD2 LEU A 257 -4.942 1.955 -0.152 1.00 0.21 C ATOM 0 H LEU A 257 -7.726 2.664 0.907 1.00 0.10 H new ATOM 0 HA LEU A 257 -8.380 1.325 -1.591 1.00 0.09 H new ATOM 0 HB2 LEU A 257 -6.778 0.729 0.934 1.00 0.11 H new ATOM 0 HB3 LEU A 257 -7.112 -0.540 -0.227 1.00 0.11 H new ATOM 0 HG LEU A 257 -5.115 0.035 -1.009 1.00 0.19 H new ATOM 0 HD11 LEU A 257 -5.254 1.706 -2.798 1.00 0.27 H new ATOM 0 HD12 LEU A 257 -6.685 0.647 -2.773 1.00 0.27 H new ATOM 0 HD13 LEU A 257 -6.789 2.298 -2.117 1.00 0.27 H new ATOM 0 HD21 LEU A 257 -4.059 2.214 -0.736 1.00 0.21 H new ATOM 0 HD22 LEU A 257 -5.551 2.846 -0.000 1.00 0.21 H new ATOM 0 HD23 LEU A 257 -4.634 1.557 0.815 1.00 0.21 H new ATOM 601 N ALA A 258 -10.270 -0.034 -0.851 1.00 0.10 N ATOM 602 CA ALA A 258 -11.378 -0.862 -0.427 1.00 0.11 C ATOM 603 C ALA A 258 -11.009 -2.304 -0.446 1.00 0.11 C ATOM 604 O ALA A 258 -11.113 -2.986 -1.460 1.00 0.14 O ATOM 605 CB ALA A 258 -12.569 -0.636 -1.303 1.00 0.14 C ATOM 0 H ALA A 258 -10.243 0.172 -1.850 1.00 0.10 H new ATOM 0 HA ALA A 258 -11.628 -0.581 0.596 1.00 0.11 H new ATOM 0 HB1 ALA A 258 -13.392 -1.268 -0.968 1.00 0.14 H new ATOM 0 HB2 ALA A 258 -12.869 0.410 -1.247 1.00 0.14 H new ATOM 0 HB3 ALA A 258 -12.316 -0.886 -2.333 1.00 0.14 H new ATOM 611 N LEU A 259 -10.599 -2.767 0.694 1.00 0.10 N ATOM 612 CA LEU A 259 -10.278 -4.161 0.857 1.00 0.12 C ATOM 613 C LEU A 259 -10.415 -4.582 2.306 1.00 0.12 C ATOM 614 O LEU A 259 -10.548 -3.747 3.200 1.00 0.12 O ATOM 615 CB LEU A 259 -8.864 -4.455 0.360 1.00 0.14 C ATOM 616 CG LEU A 259 -8.000 -3.223 0.131 1.00 0.11 C ATOM 617 CD1 LEU A 259 -6.605 -3.465 0.630 1.00 0.49 C ATOM 618 CD2 LEU A 259 -7.962 -2.867 -1.331 1.00 0.55 C ATOM 0 H LEU A 259 -10.476 -2.200 1.533 1.00 0.10 H new ATOM 0 HA LEU A 259 -10.985 -4.736 0.259 1.00 0.12 H new ATOM 0 HB2 LEU A 259 -8.367 -5.101 1.083 1.00 0.14 H new ATOM 0 HB3 LEU A 259 -8.931 -5.014 -0.574 1.00 0.14 H new ATOM 0 HG LEU A 259 -8.438 -2.392 0.684 1.00 0.11 H new ATOM 0 HD11 LEU A 259 -5.998 -2.576 0.460 1.00 0.49 H new ATOM 0 HD12 LEU A 259 -6.633 -3.686 1.697 1.00 0.49 H new ATOM 0 HD13 LEU A 259 -6.169 -4.309 0.096 1.00 0.49 H new ATOM 0 HD21 LEU A 259 -7.339 -1.984 -1.474 1.00 0.55 H new ATOM 0 HD22 LEU A 259 -7.546 -3.700 -1.898 1.00 0.55 H new ATOM 0 HD23 LEU A 259 -8.973 -2.659 -1.681 1.00 0.55 H new ATOM 630 N GLU A 260 -10.386 -5.876 2.538 1.00 0.15 N ATOM 631 CA GLU A 260 -10.517 -6.400 3.885 1.00 0.16 C ATOM 632 C GLU A 260 -9.178 -6.921 4.362 1.00 0.15 C ATOM 633 O GLU A 260 -8.240 -7.049 3.593 1.00 0.16 O ATOM 634 CB GLU A 260 -11.578 -7.516 3.925 1.00 0.21 C ATOM 635 CG GLU A 260 -11.505 -8.429 5.142 1.00 0.23 C ATOM 636 CD GLU A 260 -12.817 -8.516 5.894 1.00 0.47 C ATOM 637 OE1 GLU A 260 -13.670 -9.349 5.526 1.00 0.92 O ATOM 638 OE2 GLU A 260 -13.003 -7.743 6.860 1.00 0.75 O ATOM 0 H GLU A 260 -10.273 -6.586 1.814 1.00 0.15 H new ATOM 0 HA GLU A 260 -10.841 -5.599 4.550 1.00 0.16 H new ATOM 0 HB2 GLU A 260 -12.567 -7.058 3.891 1.00 0.21 H new ATOM 0 HB3 GLU A 260 -11.478 -8.125 3.026 1.00 0.21 H new ATOM 0 HG2 GLU A 260 -11.208 -9.428 4.823 1.00 0.23 H new ATOM 0 HG3 GLU A 260 -10.729 -8.066 5.816 1.00 0.23 H new ATOM 645 N VAL A 261 -9.076 -7.149 5.638 1.00 0.16 N ATOM 646 CA VAL A 261 -8.018 -7.950 6.179 1.00 0.16 C ATOM 647 C VAL A 261 -7.877 -9.273 5.426 1.00 0.17 C ATOM 648 O VAL A 261 -8.837 -10.032 5.298 1.00 0.21 O ATOM 649 CB VAL A 261 -8.323 -8.270 7.632 1.00 0.19 C ATOM 650 CG1 VAL A 261 -7.295 -9.242 8.187 1.00 0.21 C ATOM 651 CG2 VAL A 261 -8.406 -6.985 8.411 1.00 0.18 C ATOM 0 H VAL A 261 -9.726 -6.784 6.335 1.00 0.16 H new ATOM 0 HA VAL A 261 -7.091 -7.384 6.084 1.00 0.16 H new ATOM 0 HB VAL A 261 -9.288 -8.769 7.719 1.00 0.19 H new ATOM 0 HG11 VAL A 261 -7.527 -9.461 9.229 1.00 0.21 H new ATOM 0 HG12 VAL A 261 -7.317 -10.165 7.608 1.00 0.21 H new ATOM 0 HG13 VAL A 261 -6.302 -8.797 8.122 1.00 0.21 H new ATOM 0 HG21 VAL A 261 -8.625 -7.206 9.456 1.00 0.18 H new ATOM 0 HG22 VAL A 261 -7.455 -6.457 8.343 1.00 0.18 H new ATOM 0 HG23 VAL A 261 -9.198 -6.360 7.999 1.00 0.18 H new ATOM 661 N GLY A 262 -6.687 -9.537 4.922 1.00 0.17 N ATOM 662 CA GLY A 262 -6.420 -10.805 4.289 1.00 0.18 C ATOM 663 C GLY A 262 -6.604 -10.726 2.809 1.00 0.17 C ATOM 664 O GLY A 262 -6.461 -11.710 2.082 1.00 0.19 O ATOM 0 H GLY A 262 -5.897 -8.892 4.940 1.00 0.17 H new ATOM 0 HA2 GLY A 262 -5.400 -11.118 4.514 1.00 0.18 H new ATOM 0 HA3 GLY A 262 -7.085 -11.565 4.700 1.00 0.18 H new ATOM 668 N GLU A 263 -6.970 -9.554 2.376 1.00 0.16 N ATOM 669 CA GLU A 263 -7.090 -9.247 0.989 1.00 0.17 C ATOM 670 C GLU A 263 -5.747 -8.812 0.447 1.00 0.13 C ATOM 671 O GLU A 263 -4.722 -9.097 1.036 1.00 0.11 O ATOM 672 CB GLU A 263 -8.154 -8.187 0.901 1.00 0.18 C ATOM 673 CG GLU A 263 -9.438 -8.726 1.481 1.00 0.21 C ATOM 674 CD GLU A 263 -10.377 -9.247 0.419 1.00 0.51 C ATOM 675 OE1 GLU A 263 -10.182 -10.391 -0.046 1.00 0.75 O ATOM 676 OE2 GLU A 263 -11.329 -8.526 0.057 1.00 0.84 O ATOM 0 H GLU A 263 -7.197 -8.774 2.993 1.00 0.16 H new ATOM 0 HA GLU A 263 -7.381 -10.101 0.378 1.00 0.17 H new ATOM 0 HB2 GLU A 263 -7.842 -7.295 1.444 1.00 0.18 H new ATOM 0 HB3 GLU A 263 -8.305 -7.892 -0.137 1.00 0.18 H new ATOM 0 HG2 GLU A 263 -9.208 -9.527 2.183 1.00 0.21 H new ATOM 0 HG3 GLU A 263 -9.936 -7.939 2.048 1.00 0.21 H new ATOM 683 N LEU A 264 -5.740 -8.122 -0.648 1.00 0.17 N ATOM 684 CA LEU A 264 -4.491 -7.784 -1.300 1.00 0.18 C ATOM 685 C LEU A 264 -4.564 -6.361 -1.811 1.00 0.17 C ATOM 686 O LEU A 264 -5.627 -5.844 -2.162 1.00 0.31 O ATOM 687 CB LEU A 264 -4.295 -8.788 -2.428 1.00 0.48 C ATOM 688 CG LEU A 264 -2.923 -8.956 -3.126 1.00 0.31 C ATOM 689 CD1 LEU A 264 -2.495 -7.719 -3.871 1.00 0.36 C ATOM 690 CD2 LEU A 264 -1.836 -9.370 -2.164 1.00 0.83 C ATOM 0 H LEU A 264 -6.577 -7.777 -1.118 1.00 0.17 H new ATOM 0 HA LEU A 264 -3.642 -7.836 -0.618 1.00 0.18 H new ATOM 0 HB2 LEU A 264 -4.573 -9.766 -2.035 1.00 0.48 H new ATOM 0 HB3 LEU A 264 -5.018 -8.539 -3.205 1.00 0.48 H new ATOM 0 HG LEU A 264 -3.068 -9.757 -3.851 1.00 0.31 H new ATOM 0 HD11 LEU A 264 -1.527 -7.894 -4.340 1.00 0.36 H new ATOM 0 HD12 LEU A 264 -3.233 -7.483 -4.638 1.00 0.36 H new ATOM 0 HD13 LEU A 264 -2.415 -6.884 -3.175 1.00 0.36 H new ATOM 0 HD21 LEU A 264 -0.894 -9.474 -2.702 1.00 0.83 H new ATOM 0 HD22 LEU A 264 -1.729 -8.612 -1.388 1.00 0.83 H new ATOM 0 HD23 LEU A 264 -2.099 -10.323 -1.706 1.00 0.83 H new ATOM 702 N VAL A 265 -3.421 -5.759 -1.824 1.00 0.19 N ATOM 703 CA VAL A 265 -3.234 -4.396 -2.196 1.00 0.19 C ATOM 704 C VAL A 265 -1.897 -4.315 -2.894 1.00 0.24 C ATOM 705 O VAL A 265 -1.103 -5.216 -2.764 1.00 0.47 O ATOM 706 CB VAL A 265 -3.261 -3.498 -0.932 1.00 0.16 C ATOM 707 CG1 VAL A 265 -1.920 -3.455 -0.225 1.00 0.25 C ATOM 708 CG2 VAL A 265 -3.671 -2.098 -1.218 1.00 0.27 C ATOM 0 H VAL A 265 -2.552 -6.226 -1.564 1.00 0.19 H new ATOM 0 HA VAL A 265 -4.027 -4.047 -2.857 1.00 0.19 H new ATOM 0 HB VAL A 265 -4.006 -3.964 -0.287 1.00 0.16 H new ATOM 0 HG11 VAL A 265 -1.992 -2.813 0.653 1.00 0.25 H new ATOM 0 HG12 VAL A 265 -1.639 -4.462 0.084 1.00 0.25 H new ATOM 0 HG13 VAL A 265 -1.164 -3.059 -0.903 1.00 0.25 H new ATOM 0 HG21 VAL A 265 -3.670 -1.522 -0.293 1.00 0.27 H new ATOM 0 HG22 VAL A 265 -2.972 -1.651 -1.924 1.00 0.27 H new ATOM 0 HG23 VAL A 265 -4.673 -2.093 -1.647 1.00 0.27 H new ATOM 718 N LYS A 266 -1.655 -3.306 -3.671 1.00 0.14 N ATOM 719 CA LYS A 266 -0.321 -3.095 -4.170 1.00 0.15 C ATOM 720 C LYS A 266 0.128 -1.739 -3.756 1.00 0.32 C ATOM 721 O LYS A 266 -0.689 -0.856 -3.590 1.00 0.74 O ATOM 722 CB LYS A 266 -0.239 -3.241 -5.689 1.00 0.26 C ATOM 723 CG LYS A 266 1.184 -3.019 -6.183 1.00 0.42 C ATOM 724 CD LYS A 266 1.304 -2.821 -7.686 1.00 0.57 C ATOM 725 CE LYS A 266 0.440 -3.787 -8.489 1.00 0.96 C ATOM 726 NZ LYS A 266 1.164 -5.048 -8.815 1.00 1.84 N ATOM 0 H LYS A 266 -2.348 -2.621 -3.973 1.00 0.14 H new ATOM 0 HA LYS A 266 0.331 -3.860 -3.748 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.578 -4.235 -5.981 1.00 0.26 H new ATOM 0 HB3 LYS A 266 -0.908 -2.523 -6.163 1.00 0.26 H new ATOM 0 HG2 LYS A 266 1.598 -2.145 -5.680 1.00 0.42 H new ATOM 0 HG3 LYS A 266 1.794 -3.874 -5.892 1.00 0.42 H new ATOM 0 HD2 LYS A 266 1.022 -1.798 -7.935 1.00 0.57 H new ATOM 0 HD3 LYS A 266 2.346 -2.945 -7.980 1.00 0.57 H new ATOM 0 HE2 LYS A 266 -0.461 -4.023 -7.923 1.00 0.96 H new ATOM 0 HE3 LYS A 266 0.119 -3.304 -9.412 1.00 0.96 H new ATOM 0 HZ1 LYS A 266 0.487 -5.757 -9.162 1.00 1.84 H new ATOM 0 HZ2 LYS A 266 1.875 -4.860 -9.550 1.00 1.84 H new ATOM 0 HZ3 LYS A 266 1.636 -5.408 -7.961 1.00 1.84 H new ATOM 740 N VAL A 267 1.402 -1.565 -3.516 1.00 0.14 N ATOM 741 CA VAL A 267 1.867 -0.240 -3.314 1.00 0.16 C ATOM 742 C VAL A 267 2.678 0.214 -4.519 1.00 0.20 C ATOM 743 O VAL A 267 3.807 -0.206 -4.763 1.00 0.23 O ATOM 744 CB VAL A 267 2.633 -0.083 -1.999 1.00 0.20 C ATOM 745 CG1 VAL A 267 3.898 -0.926 -1.974 1.00 0.31 C ATOM 746 CG2 VAL A 267 2.901 1.384 -1.766 1.00 0.22 C ATOM 0 H VAL A 267 2.105 -2.302 -3.459 1.00 0.14 H new ATOM 0 HA VAL A 267 1.000 0.415 -3.222 1.00 0.16 H new ATOM 0 HB VAL A 267 2.025 -0.459 -1.176 1.00 0.20 H new ATOM 0 HG11 VAL A 267 4.411 -0.784 -1.023 1.00 0.31 H new ATOM 0 HG12 VAL A 267 3.637 -1.978 -2.092 1.00 0.31 H new ATOM 0 HG13 VAL A 267 4.555 -0.621 -2.789 1.00 0.31 H new ATOM 0 HG21 VAL A 267 3.447 1.510 -0.831 1.00 0.22 H new ATOM 0 HG22 VAL A 267 3.495 1.781 -2.589 1.00 0.22 H new ATOM 0 HG23 VAL A 267 1.955 1.922 -1.709 1.00 0.22 H new ATOM 756 N THR A 268 2.046 1.096 -5.252 1.00 0.21 N ATOM 757 CA THR A 268 2.512 1.581 -6.528 1.00 0.24 C ATOM 758 C THR A 268 2.720 3.086 -6.537 1.00 0.24 C ATOM 759 O THR A 268 3.139 3.655 -7.543 1.00 0.35 O ATOM 760 CB THR A 268 1.445 1.244 -7.576 1.00 0.26 C ATOM 761 OG1 THR A 268 1.784 1.790 -8.858 1.00 0.31 O ATOM 762 CG2 THR A 268 0.092 1.782 -7.104 1.00 0.24 C ATOM 0 H THR A 268 1.160 1.512 -4.966 1.00 0.21 H new ATOM 0 HA THR A 268 3.471 1.109 -6.740 1.00 0.24 H new ATOM 0 HB THR A 268 1.390 0.161 -7.687 1.00 0.26 H new ATOM 0 HG1 THR A 268 2.421 2.526 -8.742 1.00 0.31 H new ATOM 0 HG21 THR A 268 -0.672 1.546 -7.845 1.00 0.24 H new ATOM 0 HG22 THR A 268 -0.171 1.321 -6.152 1.00 0.24 H new ATOM 0 HG23 THR A 268 0.154 2.863 -6.979 1.00 0.24 H new ATOM 770 N LYS A 269 2.425 3.750 -5.448 1.00 0.20 N ATOM 771 CA LYS A 269 2.439 5.177 -5.468 1.00 0.23 C ATOM 772 C LYS A 269 3.361 5.688 -4.391 1.00 0.28 C ATOM 773 O LYS A 269 3.064 5.613 -3.219 1.00 0.45 O ATOM 774 CB LYS A 269 1.029 5.701 -5.249 1.00 0.25 C ATOM 775 CG LYS A 269 0.863 7.192 -5.482 1.00 0.49 C ATOM 776 CD LYS A 269 1.346 7.607 -6.862 1.00 0.59 C ATOM 777 CE LYS A 269 2.550 8.519 -6.747 1.00 0.49 C ATOM 778 NZ LYS A 269 2.181 9.825 -6.140 1.00 1.40 N ATOM 0 H LYS A 269 2.177 3.327 -4.554 1.00 0.20 H new ATOM 0 HA LYS A 269 2.800 5.527 -6.435 1.00 0.23 H new ATOM 0 HB2 LYS A 269 0.350 5.166 -5.912 1.00 0.25 H new ATOM 0 HB3 LYS A 269 0.725 5.471 -4.228 1.00 0.25 H new ATOM 0 HG2 LYS A 269 -0.187 7.463 -5.368 1.00 0.49 H new ATOM 0 HG3 LYS A 269 1.418 7.742 -4.722 1.00 0.49 H new ATOM 0 HD2 LYS A 269 1.606 6.723 -7.445 1.00 0.59 H new ATOM 0 HD3 LYS A 269 0.545 8.117 -7.397 1.00 0.59 H new ATOM 0 HE2 LYS A 269 3.317 8.037 -6.141 1.00 0.49 H new ATOM 0 HE3 LYS A 269 2.981 8.683 -7.735 1.00 0.49 H new ATOM 0 HZ1 LYS A 269 2.878 10.546 -6.417 1.00 1.40 H new ATOM 0 HZ2 LYS A 269 1.238 10.109 -6.474 1.00 1.40 H new ATOM 0 HZ3 LYS A 269 2.169 9.735 -5.104 1.00 1.40 H new ATOM 792 N ILE A 270 4.503 6.162 -4.777 1.00 0.31 N ATOM 793 CA ILE A 270 5.368 6.796 -3.820 1.00 0.34 C ATOM 794 C ILE A 270 5.101 8.302 -3.804 1.00 0.38 C ATOM 795 O ILE A 270 5.497 9.028 -4.712 1.00 0.42 O ATOM 796 CB ILE A 270 6.865 6.492 -4.072 1.00 0.39 C ATOM 797 CG1 ILE A 270 7.098 5.785 -5.415 1.00 0.57 C ATOM 798 CG2 ILE A 270 7.396 5.608 -2.954 1.00 0.61 C ATOM 799 CD1 ILE A 270 6.732 6.581 -6.654 1.00 1.44 C ATOM 0 H ILE A 270 4.859 6.126 -5.732 1.00 0.31 H new ATOM 0 HA ILE A 270 5.139 6.380 -2.839 1.00 0.34 H new ATOM 0 HB ILE A 270 7.391 7.446 -4.098 1.00 0.39 H new ATOM 0 HG12 ILE A 270 8.151 5.510 -5.481 1.00 0.57 H new ATOM 0 HG13 ILE A 270 6.525 4.858 -5.420 1.00 0.57 H new ATOM 0 HG21 ILE A 270 8.450 5.393 -3.130 1.00 0.61 H new ATOM 0 HG22 ILE A 270 7.285 6.122 -1.999 1.00 0.61 H new ATOM 0 HG23 ILE A 270 6.834 4.674 -2.930 1.00 0.61 H new ATOM 0 HD11 ILE A 270 6.938 5.985 -7.543 1.00 1.44 H new ATOM 0 HD12 ILE A 270 5.672 6.834 -6.624 1.00 1.44 H new ATOM 0 HD13 ILE A 270 7.323 7.496 -6.686 1.00 1.44 H new ATOM 877 N TRP A 276 2.060 6.366 1.969 1.00 0.41 N ATOM 878 CA TRP A 276 2.069 6.311 0.524 1.00 0.33 C ATOM 879 C TRP A 276 0.801 5.630 0.024 1.00 0.23 C ATOM 880 O TRP A 276 -0.036 5.209 0.823 1.00 0.22 O ATOM 881 CB TRP A 276 3.310 5.582 0.003 1.00 0.41 C ATOM 882 CG TRP A 276 4.582 5.835 0.786 1.00 0.62 C ATOM 883 CD1 TRP A 276 4.909 5.319 2.004 1.00 0.98 C ATOM 884 CD2 TRP A 276 5.699 6.644 0.398 1.00 0.58 C ATOM 885 NE1 TRP A 276 6.156 5.738 2.382 1.00 1.10 N ATOM 886 CE2 TRP A 276 6.660 6.561 1.415 1.00 0.86 C ATOM 887 CE3 TRP A 276 5.979 7.427 -0.706 1.00 0.52 C ATOM 888 CZ2 TRP A 276 7.880 7.232 1.347 1.00 0.93 C ATOM 889 CZ3 TRP A 276 7.186 8.098 -0.776 1.00 0.69 C ATOM 890 CH2 TRP A 276 8.125 7.995 0.246 1.00 0.82 C ATOM 0 HA TRP A 276 2.101 7.332 0.143 1.00 0.33 H new ATOM 0 HB2 TRP A 276 3.109 4.511 0.003 1.00 0.41 H new ATOM 0 HB3 TRP A 276 3.476 5.875 -1.034 1.00 0.41 H new ATOM 0 HD1 TRP A 276 4.274 4.671 2.589 1.00 0.98 H new ATOM 0 HE1 TRP A 276 6.632 5.478 3.246 1.00 1.10 H new ATOM 0 HE3 TRP A 276 5.261 7.514 -1.508 1.00 0.52 H new ATOM 0 HZ2 TRP A 276 8.607 7.149 2.141 1.00 0.93 H new ATOM 0 HZ3 TRP A 276 7.404 8.712 -1.638 1.00 0.69 H new ATOM 0 HH2 TRP A 276 9.061 8.528 0.165 1.00 0.82 H new ATOM 901 N GLU A 277 0.680 5.506 -1.288 1.00 0.19 N ATOM 902 CA GLU A 277 -0.530 5.050 -1.914 1.00 0.16 C ATOM 903 C GLU A 277 -0.330 3.721 -2.568 1.00 0.19 C ATOM 904 O GLU A 277 0.774 3.210 -2.639 1.00 0.48 O ATOM 905 CB GLU A 277 -1.029 6.085 -2.915 1.00 0.15 C ATOM 906 CG GLU A 277 -1.904 7.129 -2.283 1.00 0.23 C ATOM 907 CD GLU A 277 -2.345 8.199 -3.253 1.00 0.27 C ATOM 908 OE1 GLU A 277 -1.500 8.696 -4.022 1.00 1.03 O ATOM 909 OE2 GLU A 277 -3.542 8.538 -3.255 1.00 0.92 O ATOM 0 H GLU A 277 1.430 5.723 -1.945 1.00 0.19 H new ATOM 0 HA GLU A 277 -1.290 4.924 -1.143 1.00 0.16 H new ATOM 0 HB2 GLU A 277 -0.174 6.570 -3.386 1.00 0.15 H new ATOM 0 HB3 GLU A 277 -1.585 5.581 -3.706 1.00 0.15 H new ATOM 0 HG2 GLU A 277 -2.784 6.647 -1.858 1.00 0.23 H new ATOM 0 HG3 GLU A 277 -1.365 7.595 -1.458 1.00 0.23 H new ATOM 916 N GLY A 278 -1.423 3.183 -3.027 1.00 0.39 N ATOM 917 CA GLY A 278 -1.459 1.869 -3.561 1.00 0.34 C ATOM 918 C GLY A 278 -2.577 1.742 -4.553 1.00 0.28 C ATOM 919 O GLY A 278 -3.341 2.685 -4.766 1.00 0.32 O ATOM 0 H GLY A 278 -2.325 3.660 -3.037 1.00 0.39 H new ATOM 0 HA2 GLY A 278 -0.509 1.638 -4.042 1.00 0.34 H new ATOM 0 HA3 GLY A 278 -1.593 1.146 -2.757 1.00 0.34 H new ATOM 923 N GLU A 279 -2.684 0.581 -5.138 1.00 0.22 N ATOM 924 CA GLU A 279 -3.723 0.286 -6.073 1.00 0.18 C ATOM 925 C GLU A 279 -3.969 -1.193 -6.011 1.00 0.13 C ATOM 926 O GLU A 279 -3.094 -2.002 -6.318 1.00 0.14 O ATOM 927 CB GLU A 279 -3.365 0.678 -7.485 1.00 0.25 C ATOM 928 CG GLU A 279 -4.616 0.868 -8.293 1.00 0.27 C ATOM 929 CD GLU A 279 -4.610 0.144 -9.619 1.00 0.66 C ATOM 930 OE1 GLU A 279 -4.186 -1.030 -9.659 1.00 0.99 O ATOM 931 OE2 GLU A 279 -5.059 0.745 -10.616 1.00 1.08 O ATOM 0 H GLU A 279 -2.041 -0.194 -4.974 1.00 0.22 H new ATOM 0 HA GLU A 279 -4.610 0.861 -5.807 1.00 0.18 H new ATOM 0 HB2 GLU A 279 -2.781 1.599 -7.480 1.00 0.25 H new ATOM 0 HB3 GLU A 279 -2.741 -0.092 -7.939 1.00 0.25 H new ATOM 0 HG2 GLU A 279 -5.469 0.525 -7.708 1.00 0.27 H new ATOM 0 HG3 GLU A 279 -4.761 1.933 -8.473 1.00 0.27 H new ATOM 938 N CYS A 280 -5.120 -1.531 -5.530 1.00 0.10 N ATOM 939 CA CYS A 280 -5.496 -2.892 -5.335 1.00 0.12 C ATOM 940 C CYS A 280 -6.528 -3.312 -6.345 1.00 0.15 C ATOM 941 O CYS A 280 -7.720 -3.167 -6.095 1.00 0.19 O ATOM 942 CB CYS A 280 -6.098 -2.952 -3.976 1.00 0.17 C ATOM 943 SG CYS A 280 -5.959 -1.392 -3.118 1.00 1.52 S ATOM 0 H CYS A 280 -5.837 -0.858 -5.257 1.00 0.10 H new ATOM 0 HA CYS A 280 -4.636 -3.553 -5.444 1.00 0.12 H new ATOM 0 HB2 CYS A 280 -7.149 -3.230 -4.056 1.00 0.17 H new ATOM 0 HB3 CYS A 280 -5.606 -3.731 -3.395 1.00 0.17 H new ATOM 0 HG CYS A 280 -4.763 -0.911 -3.284 1.00 1.52 H new ATOM 949 N ASN A 281 -6.063 -3.829 -7.468 1.00 0.18 N ATOM 950 CA ASN A 281 -6.937 -4.309 -8.533 1.00 0.25 C ATOM 951 C ASN A 281 -8.158 -3.395 -8.712 1.00 0.23 C ATOM 952 O ASN A 281 -9.283 -3.865 -8.885 1.00 0.32 O ATOM 953 CB ASN A 281 -7.377 -5.750 -8.246 1.00 0.33 C ATOM 954 CG ASN A 281 -6.211 -6.680 -7.924 1.00 0.48 C ATOM 955 OD1 ASN A 281 -5.012 -6.350 -8.400 1.00 1.04 O flip ATOM 956 ND2 ASN A 281 -6.385 -7.684 -7.231 1.00 0.69 N flip ATOM 0 H ASN A 281 -5.069 -3.930 -7.671 1.00 0.18 H new ATOM 0 HA ASN A 281 -6.374 -4.291 -9.466 1.00 0.25 H new ATOM 0 HB2 ASN A 281 -8.076 -5.750 -7.409 1.00 0.33 H new ATOM 0 HB3 ASN A 281 -7.915 -6.138 -9.111 1.00 0.33 H new ATOM 0 HD21 ASN A 281 -7.317 -7.908 -6.882 1.00 0.69 H new ATOM 0 HD22 ASN A 281 -5.597 -8.291 -7.006 1.00 0.69 H new ATOM 963 N GLY A 282 -7.923 -2.081 -8.668 1.00 0.17 N ATOM 964 CA GLY A 282 -8.985 -1.127 -8.885 1.00 0.18 C ATOM 965 C GLY A 282 -9.460 -0.404 -7.628 1.00 0.16 C ATOM 966 O GLY A 282 -10.500 0.254 -7.647 1.00 0.28 O ATOM 0 H GLY A 282 -7.009 -1.667 -8.485 1.00 0.17 H new ATOM 0 HA2 GLY A 282 -8.646 -0.385 -9.608 1.00 0.18 H new ATOM 0 HA3 GLY A 282 -9.834 -1.644 -9.333 1.00 0.18 H new ATOM 970 N LYS A 283 -8.720 -0.526 -6.532 1.00 0.10 N ATOM 971 CA LYS A 283 -8.838 0.436 -5.443 1.00 0.10 C ATOM 972 C LYS A 283 -7.547 1.189 -5.364 1.00 0.09 C ATOM 973 O LYS A 283 -6.492 0.631 -5.618 1.00 0.12 O ATOM 974 CB LYS A 283 -9.095 -0.154 -4.053 1.00 0.11 C ATOM 975 CG LYS A 283 -10.315 -1.053 -3.937 1.00 0.15 C ATOM 976 CD LYS A 283 -10.078 -2.427 -4.538 1.00 0.14 C ATOM 977 CE LYS A 283 -11.248 -3.347 -4.315 1.00 0.24 C ATOM 978 NZ LYS A 283 -10.983 -4.718 -4.818 1.00 0.38 N ATOM 0 H LYS A 283 -8.041 -1.271 -6.375 1.00 0.10 H new ATOM 0 HA LYS A 283 -9.710 1.045 -5.683 1.00 0.10 H new ATOM 0 HB2 LYS A 283 -8.216 -0.724 -3.752 1.00 0.11 H new ATOM 0 HB3 LYS A 283 -9.202 0.667 -3.344 1.00 0.11 H new ATOM 0 HG2 LYS A 283 -10.586 -1.160 -2.887 1.00 0.15 H new ATOM 0 HG3 LYS A 283 -11.160 -0.581 -4.438 1.00 0.15 H new ATOM 0 HD2 LYS A 283 -9.893 -2.328 -5.608 1.00 0.14 H new ATOM 0 HD3 LYS A 283 -9.182 -2.866 -4.098 1.00 0.14 H new ATOM 0 HE2 LYS A 283 -11.477 -3.390 -3.250 1.00 0.24 H new ATOM 0 HE3 LYS A 283 -12.128 -2.942 -4.815 1.00 0.24 H new ATOM 0 HZ1 LYS A 283 -11.814 -5.318 -4.644 1.00 0.38 H new ATOM 0 HZ2 LYS A 283 -10.789 -4.682 -5.839 1.00 0.38 H new ATOM 0 HZ3 LYS A 283 -10.159 -5.116 -4.323 1.00 0.38 H new ATOM 992 N ARG A 284 -7.623 2.442 -5.017 1.00 0.07 N ATOM 993 CA ARG A 284 -6.436 3.258 -4.915 1.00 0.09 C ATOM 994 C ARG A 284 -6.551 4.165 -3.718 1.00 0.11 C ATOM 995 O ARG A 284 -7.646 4.607 -3.378 1.00 0.13 O ATOM 996 CB ARG A 284 -6.226 4.071 -6.164 1.00 0.11 C ATOM 997 CG ARG A 284 -6.518 3.262 -7.394 1.00 0.20 C ATOM 998 CD ARG A 284 -5.911 3.882 -8.623 1.00 0.35 C ATOM 999 NE ARG A 284 -6.182 3.099 -9.829 1.00 0.68 N ATOM 1000 CZ ARG A 284 -7.076 3.415 -10.757 1.00 1.10 C ATOM 1001 NH1 ARG A 284 -7.793 4.527 -10.656 1.00 1.42 N ATOM 1002 NH2 ARG A 284 -7.241 2.613 -11.798 1.00 1.46 N ATOM 0 H ARG A 284 -8.494 2.926 -4.799 1.00 0.07 H new ATOM 0 HA ARG A 284 -5.574 2.602 -4.795 1.00 0.09 H new ATOM 0 HB2 ARG A 284 -6.871 4.950 -6.142 1.00 0.11 H new ATOM 0 HB3 ARG A 284 -5.198 4.431 -6.198 1.00 0.11 H new ATOM 0 HG2 ARG A 284 -6.130 2.252 -7.266 1.00 0.20 H new ATOM 0 HG3 ARG A 284 -7.597 3.175 -7.525 1.00 0.20 H new ATOM 0 HD2 ARG A 284 -6.304 4.891 -8.751 1.00 0.35 H new ATOM 0 HD3 ARG A 284 -4.834 3.975 -8.487 1.00 0.35 H new ATOM 0 HE ARG A 284 -5.642 2.245 -9.967 1.00 0.68 H new ATOM 0 HH11 ARG A 284 -7.660 5.149 -9.859 1.00 1.42 H new ATOM 0 HH12 ARG A 284 -8.477 4.760 -11.376 1.00 1.42 H new ATOM 0 HH21 ARG A 284 -6.684 1.763 -11.880 1.00 1.46 H new ATOM 0 HH22 ARG A 284 -7.925 2.846 -12.518 1.00 1.46 H new ATOM 1016 N GLY A 285 -5.438 4.450 -3.091 1.00 0.13 N ATOM 1017 CA GLY A 285 -5.483 5.186 -1.860 1.00 0.14 C ATOM 1018 C GLY A 285 -4.249 5.010 -1.022 1.00 0.15 C ATOM 1019 O GLY A 285 -3.335 4.322 -1.420 1.00 0.24 O ATOM 0 H GLY A 285 -4.505 4.187 -3.408 1.00 0.13 H new ATOM 0 HA2 GLY A 285 -5.616 6.245 -2.082 1.00 0.14 H new ATOM 0 HA3 GLY A 285 -6.353 4.869 -1.286 1.00 0.14 H new ATOM 1023 N HIS A 286 -4.243 5.582 0.168 1.00 0.11 N ATOM 1024 CA HIS A 286 -3.056 5.602 0.988 1.00 0.12 C ATOM 1025 C HIS A 286 -3.327 5.025 2.345 1.00 0.12 C ATOM 1026 O HIS A 286 -4.387 5.252 2.923 1.00 0.15 O ATOM 1027 CB HIS A 286 -2.522 7.025 1.125 1.00 0.14 C ATOM 1028 CG HIS A 286 -3.586 8.081 1.175 1.00 0.15 C ATOM 1029 ND1 HIS A 286 -4.497 8.193 2.204 1.00 0.21 N ATOM 1030 CD2 HIS A 286 -3.891 9.064 0.298 1.00 0.19 C ATOM 1031 CE1 HIS A 286 -5.316 9.197 1.952 1.00 0.25 C ATOM 1032 NE2 HIS A 286 -4.966 9.740 0.806 1.00 0.23 N ATOM 0 H HIS A 286 -5.053 6.040 0.586 1.00 0.11 H new ATOM 0 HA HIS A 286 -2.303 4.987 0.496 1.00 0.12 H new ATOM 0 HB2 HIS A 286 -1.920 7.089 2.031 1.00 0.14 H new ATOM 0 HB3 HIS A 286 -1.858 7.234 0.286 1.00 0.14 H new ATOM 0 HD2 HIS A 286 -3.381 9.276 -0.630 1.00 0.19 H new ATOM 0 HE1 HIS A 286 -6.134 9.518 2.580 1.00 0.25 H new ATOM 0 HE2 HIS A 286 -5.424 10.538 0.366 1.00 0.23 H new ATOM 1041 N PHE A 287 -2.325 4.333 2.858 1.00 0.10 N ATOM 1042 CA PHE A 287 -2.469 3.488 4.032 1.00 0.11 C ATOM 1043 C PHE A 287 -1.103 2.919 4.416 1.00 0.15 C ATOM 1044 O PHE A 287 -0.449 2.290 3.590 1.00 0.23 O ATOM 1045 CB PHE A 287 -3.421 2.318 3.746 1.00 0.12 C ATOM 1046 CG PHE A 287 -4.902 2.584 3.896 1.00 0.10 C ATOM 1047 CD1 PHE A 287 -5.407 3.391 4.904 1.00 0.12 C ATOM 1048 CD2 PHE A 287 -5.788 2.014 3.005 1.00 0.09 C ATOM 1049 CE1 PHE A 287 -6.766 3.620 5.014 1.00 0.13 C ATOM 1050 CE2 PHE A 287 -7.145 2.237 3.105 1.00 0.09 C ATOM 1051 CZ PHE A 287 -7.637 3.043 4.111 1.00 0.12 C ATOM 0 H PHE A 287 -1.382 4.341 2.470 1.00 0.10 H new ATOM 0 HA PHE A 287 -2.876 4.092 4.843 1.00 0.11 H new ATOM 0 HB2 PHE A 287 -3.240 1.976 2.727 1.00 0.12 H new ATOM 0 HB3 PHE A 287 -3.156 1.496 4.410 1.00 0.12 H new ATOM 0 HD1 PHE A 287 -4.730 3.846 5.612 1.00 0.12 H new ATOM 0 HD2 PHE A 287 -5.412 1.381 2.215 1.00 0.09 H new ATOM 0 HE1 PHE A 287 -7.146 4.249 5.805 1.00 0.13 H new ATOM 0 HE2 PHE A 287 -7.822 1.782 2.397 1.00 0.09 H new ATOM 0 HZ PHE A 287 -8.699 3.222 4.192 1.00 0.12 H new ATOM 1061 N PRO A 288 -0.660 3.130 5.663 1.00 0.17 N ATOM 1062 CA PRO A 288 0.647 2.663 6.150 1.00 0.23 C ATOM 1063 C PRO A 288 0.866 1.158 6.012 1.00 0.18 C ATOM 1064 O PRO A 288 -0.073 0.375 5.828 1.00 0.16 O ATOM 1065 CB PRO A 288 0.637 3.054 7.636 1.00 0.35 C ATOM 1066 CG PRO A 288 -0.797 3.288 7.953 1.00 0.33 C ATOM 1067 CD PRO A 288 -1.365 3.877 6.704 1.00 0.23 C ATOM 0 HA PRO A 288 1.453 3.106 5.565 1.00 0.23 H new ATOM 0 HB2 PRO A 288 1.056 2.262 8.257 1.00 0.35 H new ATOM 0 HB3 PRO A 288 1.234 3.949 7.814 1.00 0.35 H new ATOM 0 HG2 PRO A 288 -1.301 2.359 8.219 1.00 0.33 H new ATOM 0 HG3 PRO A 288 -0.911 3.966 8.799 1.00 0.33 H new ATOM 0 HD2 PRO A 288 -2.445 3.740 6.643 1.00 0.23 H new ATOM 0 HD3 PRO A 288 -1.175 4.948 6.636 1.00 0.23 H new ATOM 1075 N PHE A 289 2.129 0.773 6.109 1.00 0.23 N ATOM 1076 CA PHE A 289 2.530 -0.633 6.052 1.00 0.26 C ATOM 1077 C PHE A 289 2.167 -1.358 7.337 1.00 0.23 C ATOM 1078 O PHE A 289 2.209 -2.587 7.401 1.00 0.26 O ATOM 1079 CB PHE A 289 4.034 -0.757 5.787 1.00 0.38 C ATOM 1080 CG PHE A 289 4.615 -2.117 6.070 1.00 0.29 C ATOM 1081 CD1 PHE A 289 4.562 -3.113 5.119 1.00 0.26 C ATOM 1082 CD2 PHE A 289 5.212 -2.395 7.288 1.00 0.32 C ATOM 1083 CE1 PHE A 289 5.089 -4.363 5.371 1.00 0.26 C ATOM 1084 CE2 PHE A 289 5.740 -3.643 7.548 1.00 0.31 C ATOM 1085 CZ PHE A 289 5.681 -4.628 6.588 1.00 0.26 C ATOM 0 H PHE A 289 2.907 1.421 6.229 1.00 0.23 H new ATOM 0 HA PHE A 289 1.988 -1.099 5.229 1.00 0.26 H new ATOM 0 HB2 PHE A 289 4.227 -0.505 4.744 1.00 0.38 H new ATOM 0 HB3 PHE A 289 4.558 -0.020 6.395 1.00 0.38 H new ATOM 0 HD1 PHE A 289 4.101 -2.912 4.163 1.00 0.26 H new ATOM 0 HD2 PHE A 289 5.265 -1.625 8.044 1.00 0.32 H new ATOM 0 HE1 PHE A 289 5.038 -5.133 4.616 1.00 0.26 H new ATOM 0 HE2 PHE A 289 6.199 -3.847 8.504 1.00 0.31 H new ATOM 0 HZ PHE A 289 6.097 -5.605 6.787 1.00 0.26 H new ATOM 1095 N THR A 290 1.763 -0.592 8.337 1.00 0.24 N ATOM 1096 CA THR A 290 1.439 -1.107 9.656 1.00 0.27 C ATOM 1097 C THR A 290 0.347 -2.181 9.627 1.00 0.23 C ATOM 1098 O THR A 290 -0.066 -2.680 10.673 1.00 0.28 O ATOM 1099 CB THR A 290 0.997 0.048 10.560 1.00 0.36 C ATOM 1100 OG1 THR A 290 0.042 0.860 9.866 1.00 0.62 O ATOM 1101 CG2 THR A 290 2.190 0.896 10.975 1.00 0.44 C ATOM 0 H THR A 290 1.650 0.418 8.254 1.00 0.24 H new ATOM 0 HA THR A 290 2.341 -1.579 10.046 1.00 0.27 H new ATOM 0 HB THR A 290 0.541 -0.367 11.459 1.00 0.36 H new ATOM 0 HG1 THR A 290 -0.242 1.598 10.445 1.00 0.62 H new ATOM 0 HG21 THR A 290 1.852 1.710 11.616 1.00 0.44 H new ATOM 0 HG22 THR A 290 2.904 0.278 11.519 1.00 0.44 H new ATOM 0 HG23 THR A 290 2.670 1.309 10.087 1.00 0.44 H new ATOM 1109 N HIS A 291 -0.123 -2.543 8.435 1.00 0.17 N ATOM 1110 CA HIS A 291 -1.170 -3.524 8.312 1.00 0.16 C ATOM 1111 C HIS A 291 -1.168 -4.149 6.939 1.00 0.14 C ATOM 1112 O HIS A 291 -2.229 -4.409 6.362 1.00 0.13 O ATOM 1113 CB HIS A 291 -2.556 -2.957 8.628 1.00 0.20 C ATOM 1114 CG HIS A 291 -2.834 -1.544 8.189 1.00 0.30 C ATOM 1115 ND1 HIS A 291 -3.618 -0.591 8.752 1.00 0.40 N flip ATOM 1116 CD2 HIS A 291 -2.377 -1.002 7.009 1.00 0.94 C flip ATOM 1117 CE1 HIS A 291 -3.639 0.488 7.902 1.00 0.19 C flip ATOM 1118 NE2 HIS A 291 -2.879 0.212 6.863 1.00 0.77 N flip ATOM 0 H HIS A 291 0.212 -2.166 7.549 1.00 0.17 H new ATOM 0 HA HIS A 291 -0.957 -4.291 9.056 1.00 0.16 H new ATOM 0 HB2 HIS A 291 -3.301 -3.607 8.168 1.00 0.20 H new ATOM 0 HB3 HIS A 291 -2.707 -3.012 9.706 1.00 0.20 H new ATOM 0 HD1 HIS A 291 -4.104 -0.663 9.646 1.00 0.40 H new ATOM 0 HD2 HIS A 291 -1.713 -1.492 6.312 1.00 0.94 H new ATOM 0 HE1 HIS A 291 -4.186 1.406 8.059 1.00 0.19 H new ATOM 1127 N VAL A 292 0.015 -4.367 6.393 1.00 0.16 N ATOM 1128 CA VAL A 292 0.131 -5.193 5.213 1.00 0.15 C ATOM 1129 C VAL A 292 1.257 -6.193 5.320 1.00 0.19 C ATOM 1130 O VAL A 292 2.281 -5.962 5.963 1.00 0.22 O ATOM 1131 CB VAL A 292 0.352 -4.359 3.944 1.00 0.14 C ATOM 1132 CG1 VAL A 292 -0.867 -3.544 3.625 1.00 0.17 C ATOM 1133 CG2 VAL A 292 1.557 -3.461 4.095 1.00 0.31 C ATOM 0 H VAL A 292 0.895 -3.988 6.744 1.00 0.16 H new ATOM 0 HA VAL A 292 -0.818 -5.724 5.142 1.00 0.15 H new ATOM 0 HB VAL A 292 0.535 -5.046 3.118 1.00 0.14 H new ATOM 0 HG11 VAL A 292 -0.688 -2.960 2.722 1.00 0.17 H new ATOM 0 HG12 VAL A 292 -1.717 -4.208 3.466 1.00 0.17 H new ATOM 0 HG13 VAL A 292 -1.082 -2.871 4.455 1.00 0.17 H new ATOM 0 HG21 VAL A 292 1.694 -2.880 3.183 1.00 0.31 H new ATOM 0 HG22 VAL A 292 1.404 -2.786 4.937 1.00 0.31 H new ATOM 0 HG23 VAL A 292 2.444 -4.069 4.274 1.00 0.31 H new ATOM 1143 N ARG A 293 1.003 -7.314 4.704 1.00 0.22 N ATOM 1144 CA ARG A 293 2.002 -8.290 4.378 1.00 0.21 C ATOM 1145 C ARG A 293 2.336 -8.010 2.936 1.00 0.32 C ATOM 1146 O ARG A 293 1.569 -7.326 2.281 1.00 0.70 O ATOM 1147 CB ARG A 293 1.391 -9.684 4.514 1.00 0.19 C ATOM 1148 CG ARG A 293 0.351 -9.740 5.610 1.00 0.17 C ATOM 1149 CD ARG A 293 -0.561 -10.938 5.490 1.00 0.26 C ATOM 1150 NE ARG A 293 0.163 -12.207 5.460 1.00 0.27 N ATOM 1151 CZ ARG A 293 -0.217 -13.300 6.121 1.00 0.52 C ATOM 1152 NH1 ARG A 293 -1.277 -13.272 6.923 1.00 1.09 N ATOM 1153 NH2 ARG A 293 0.475 -14.424 5.987 1.00 0.60 N ATOM 0 H ARG A 293 0.065 -7.581 4.406 1.00 0.22 H new ATOM 0 HA ARG A 293 2.880 -8.244 5.022 1.00 0.21 H new ATOM 0 HB2 ARG A 293 0.936 -9.975 3.567 1.00 0.19 H new ATOM 0 HB3 ARG A 293 2.179 -10.407 4.724 1.00 0.19 H new ATOM 0 HG2 ARG A 293 0.851 -9.765 6.578 1.00 0.17 H new ATOM 0 HG3 ARG A 293 -0.247 -8.829 5.584 1.00 0.17 H new ATOM 0 HD2 ARG A 293 -1.257 -10.943 6.329 1.00 0.26 H new ATOM 0 HD3 ARG A 293 -1.157 -10.845 4.582 1.00 0.26 H new ATOM 0 HE ARG A 293 1.013 -12.259 4.898 1.00 0.27 H new ATOM 0 HH11 ARG A 293 -1.808 -12.408 7.037 1.00 1.09 H new ATOM 0 HH12 ARG A 293 -1.560 -14.114 7.424 1.00 1.09 H new ATOM 0 HH21 ARG A 293 1.294 -14.449 5.380 1.00 0.60 H new ATOM 0 HH22 ARG A 293 0.188 -15.263 6.491 1.00 0.60 H new ATOM 1167 N LEU A 294 3.467 -8.425 2.441 1.00 0.18 N ATOM 1168 CA LEU A 294 3.675 -8.321 1.007 1.00 0.18 C ATOM 1169 C LEU A 294 3.879 -9.660 0.326 1.00 0.21 C ATOM 1170 O LEU A 294 4.031 -10.713 0.951 1.00 0.30 O ATOM 1171 CB LEU A 294 4.834 -7.404 0.595 1.00 0.22 C ATOM 1172 CG LEU A 294 5.130 -6.150 1.437 1.00 0.30 C ATOM 1173 CD1 LEU A 294 3.870 -5.359 1.729 1.00 0.66 C ATOM 1174 CD2 LEU A 294 5.851 -6.518 2.723 1.00 0.58 C ATOM 0 H LEU A 294 4.238 -8.825 2.976 1.00 0.18 H new ATOM 0 HA LEU A 294 2.740 -7.874 0.670 1.00 0.18 H new ATOM 0 HB2 LEU A 294 5.741 -8.009 0.575 1.00 0.22 H new ATOM 0 HB3 LEU A 294 4.647 -7.077 -0.428 1.00 0.22 H new ATOM 0 HG LEU A 294 5.787 -5.510 0.848 1.00 0.30 H new ATOM 0 HD11 LEU A 294 4.121 -4.482 2.325 1.00 0.66 H new ATOM 0 HD12 LEU A 294 3.414 -5.042 0.791 1.00 0.66 H new ATOM 0 HD13 LEU A 294 3.168 -5.984 2.281 1.00 0.66 H new ATOM 0 HD21 LEU A 294 6.049 -5.615 3.300 1.00 0.58 H new ATOM 0 HD22 LEU A 294 5.228 -7.194 3.309 1.00 0.58 H new ATOM 0 HD23 LEU A 294 6.794 -7.009 2.484 1.00 0.58 H new ATOM 1186 N LEU A 295 3.857 -9.551 -0.986 1.00 0.20 N ATOM 1187 CA LEU A 295 3.972 -10.603 -1.923 1.00 0.22 C ATOM 1188 C LEU A 295 5.027 -10.208 -2.939 1.00 0.28 C ATOM 1189 O LEU A 295 5.817 -9.300 -2.687 1.00 0.31 O ATOM 1190 CB LEU A 295 2.641 -10.715 -2.622 1.00 0.23 C ATOM 1191 CG LEU A 295 1.726 -11.842 -2.174 1.00 0.25 C ATOM 1192 CD1 LEU A 295 1.108 -11.499 -0.832 1.00 0.29 C ATOM 1193 CD2 LEU A 295 0.655 -12.090 -3.221 1.00 0.28 C ATOM 0 H LEU A 295 3.749 -8.645 -1.441 1.00 0.20 H new ATOM 0 HA LEU A 295 4.244 -11.545 -1.447 1.00 0.22 H new ATOM 0 HB2 LEU A 295 2.109 -9.773 -2.492 1.00 0.23 H new ATOM 0 HB3 LEU A 295 2.827 -10.832 -3.690 1.00 0.23 H new ATOM 0 HG LEU A 295 2.307 -12.757 -2.061 1.00 0.25 H new ATOM 0 HD11 LEU A 295 0.453 -12.310 -0.515 1.00 0.29 H new ATOM 0 HD12 LEU A 295 1.897 -11.360 -0.093 1.00 0.29 H new ATOM 0 HD13 LEU A 295 0.530 -10.580 -0.922 1.00 0.29 H new ATOM 0 HD21 LEU A 295 0.004 -12.900 -2.891 1.00 0.28 H new ATOM 0 HD22 LEU A 295 0.065 -11.184 -3.360 1.00 0.28 H new ATOM 0 HD23 LEU A 295 1.126 -12.365 -4.165 1.00 0.28 H new ATOM 1205 N ASP A 296 4.999 -10.834 -4.105 1.00 0.39 N ATOM 1206 CA ASP A 296 5.953 -10.520 -5.154 1.00 0.50 C ATOM 1207 C ASP A 296 5.747 -9.103 -5.700 1.00 0.73 C ATOM 1208 O ASP A 296 6.247 -8.141 -5.127 1.00 1.81 O ATOM 1209 CB ASP A 296 5.876 -11.554 -6.277 1.00 0.84 C ATOM 1210 CG ASP A 296 6.581 -12.848 -5.923 1.00 1.76 C ATOM 1211 OD1 ASP A 296 5.935 -13.737 -5.332 1.00 2.42 O ATOM 1212 OD2 ASP A 296 7.783 -12.982 -6.237 1.00 2.44 O ATOM 0 H ASP A 296 4.326 -11.561 -4.348 1.00 0.39 H new ATOM 0 HA ASP A 296 6.951 -10.558 -4.717 1.00 0.50 H new ATOM 0 HB2 ASP A 296 4.830 -11.764 -6.503 1.00 0.84 H new ATOM 0 HB3 ASP A 296 6.320 -11.138 -7.181 1.00 0.84 H new ATOM 1217 N GLN A 297 5.019 -8.968 -6.804 1.00 0.53 N ATOM 1218 CA GLN A 297 4.846 -7.685 -7.455 1.00 0.41 C ATOM 1219 C GLN A 297 3.430 -7.531 -7.992 1.00 0.64 C ATOM 1220 O GLN A 297 3.109 -8.181 -9.009 1.00 1.25 O ATOM 1221 CB GLN A 297 5.842 -7.575 -8.598 1.00 0.51 C ATOM 1222 CG GLN A 297 7.272 -7.924 -8.209 1.00 0.88 C ATOM 1223 CD GLN A 297 8.300 -7.092 -8.939 1.00 0.87 C ATOM 1224 OE1 GLN A 297 8.757 -7.448 -10.024 1.00 1.02 O ATOM 1225 NE2 GLN A 297 8.680 -5.982 -8.336 1.00 1.02 N ATOM 1226 OXT GLN A 297 2.653 -6.753 -7.411 1.00 1.41 O ATOM 0 H GLN A 297 4.538 -9.741 -7.265 1.00 0.53 H new ATOM 0 HA GLN A 297 5.019 -6.893 -6.726 1.00 0.41 H new ATOM 0 HB2 GLN A 297 5.525 -8.233 -9.407 1.00 0.51 H new ATOM 0 HB3 GLN A 297 5.821 -6.558 -8.988 1.00 0.51 H new ATOM 0 HG2 GLN A 297 7.395 -7.784 -7.135 1.00 0.88 H new ATOM 0 HG3 GLN A 297 7.452 -8.979 -8.416 1.00 0.88 H new ATOM 0 HE21 GLN A 297 8.274 -5.726 -7.436 1.00 1.02 H new ATOM 0 HE22 GLN A 297 9.380 -5.380 -8.770 1.00 1.02 H new