USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 458 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 240 TYR OH : rot -37:sc= 1.02 USER MOD Set 1.2: A 281 ASN :FLIP amide:sc= 0.852 F(o=0.77,f=1.9) 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= -3.01! C(o=-3!,f=-9.2!) 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 15:sc= 1.2 USER MOD Single : A 266 LYS NZ :NH3+ -126:sc= 0.662 (180deg=0.293) USER MOD Single : A 268 THR OG1 : rot -31:sc= 0.138 USER MOD Single : A 269 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 280 CYS SG : rot 143:sc= -16.4! USER MOD Single : A 283 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 HIS : +bothHN:sc= -0.938 K(o=-0.94,f=-2.8!) USER MOD Single : A 290 THR OG1 : rot 180:sc= -1.55! USER MOD Single : A 291 HIS :FLIP no HE2:sc= -0.824 F(o=-1.5,f=-0.82) USER MOD Single : A 297 GLN :FLIP amide:sc= -0.0537 F(o=-1.5!,f=-0.054) USER MOD ----------------------------------------------------------------- ATOM 262 N PRO A 238 6.505 -1.777 -7.814 1.00 0.40 N ATOM 263 CA PRO A 238 5.475 -2.119 -6.818 1.00 0.28 C ATOM 264 C PRO A 238 5.370 -3.561 -6.556 1.00 0.28 C ATOM 265 O PRO A 238 5.335 -4.400 -7.447 1.00 0.41 O ATOM 266 CB PRO A 238 4.179 -1.592 -7.437 1.00 0.25 C ATOM 267 CG PRO A 238 4.651 -0.552 -8.359 1.00 0.59 C ATOM 268 CD PRO A 238 5.875 -1.159 -8.980 1.00 0.43 C ATOM 0 HA PRO A 238 5.711 -1.684 -5.847 1.00 0.28 H new ATOM 0 HB2 PRO A 238 3.633 -2.377 -7.960 1.00 0.25 H new ATOM 0 HB3 PRO A 238 3.507 -1.186 -6.681 1.00 0.25 H new ATOM 0 HG2 PRO A 238 3.899 -0.310 -9.110 1.00 0.59 H new ATOM 0 HG3 PRO A 238 4.885 0.374 -7.833 1.00 0.59 H new ATOM 0 HD2 PRO A 238 5.627 -1.890 -9.750 1.00 0.43 H new ATOM 0 HD3 PRO A 238 6.515 -0.410 -9.446 1.00 0.43 H new ATOM 276 N PHE A 239 5.302 -3.800 -5.293 1.00 0.24 N ATOM 277 CA PHE A 239 5.182 -5.119 -4.780 1.00 0.26 C ATOM 278 C PHE A 239 3.734 -5.314 -4.377 1.00 0.22 C ATOM 279 O PHE A 239 3.049 -4.329 -4.099 1.00 0.26 O ATOM 280 CB PHE A 239 6.090 -5.328 -3.575 1.00 0.38 C ATOM 281 CG PHE A 239 7.568 -5.370 -3.875 1.00 0.48 C ATOM 282 CD1 PHE A 239 8.040 -5.676 -5.143 1.00 0.56 C ATOM 283 CD2 PHE A 239 8.488 -5.130 -2.866 1.00 0.66 C ATOM 284 CE1 PHE A 239 9.398 -5.737 -5.397 1.00 0.71 C ATOM 285 CE2 PHE A 239 9.844 -5.186 -3.117 1.00 0.79 C ATOM 286 CZ PHE A 239 10.299 -5.490 -4.382 1.00 0.78 C ATOM 0 H PHE A 239 5.329 -3.074 -4.577 1.00 0.24 H new ATOM 0 HA PHE A 239 5.482 -5.842 -5.539 1.00 0.26 H new ATOM 0 HB2 PHE A 239 5.905 -4.527 -2.859 1.00 0.38 H new ATOM 0 HB3 PHE A 239 5.809 -6.262 -3.088 1.00 0.38 H new ATOM 0 HD1 PHE A 239 7.339 -5.869 -5.941 1.00 0.56 H new ATOM 0 HD2 PHE A 239 8.139 -4.896 -1.871 1.00 0.66 H new ATOM 0 HE1 PHE A 239 9.753 -5.978 -6.388 1.00 0.71 H new ATOM 0 HE2 PHE A 239 10.549 -4.992 -2.322 1.00 0.79 H new ATOM 0 HZ PHE A 239 11.360 -5.535 -4.578 1.00 0.78 H new ATOM 296 N TYR A 240 3.261 -6.544 -4.317 1.00 0.22 N ATOM 297 CA TYR A 240 1.921 -6.781 -3.884 1.00 0.21 C ATOM 298 C TYR A 240 1.989 -6.852 -2.394 1.00 0.19 C ATOM 299 O TYR A 240 3.082 -6.958 -1.842 1.00 0.23 O ATOM 300 CB TYR A 240 1.387 -8.102 -4.442 1.00 0.24 C ATOM 301 CG TYR A 240 0.363 -7.992 -5.551 1.00 0.36 C ATOM 302 CD1 TYR A 240 -0.293 -6.800 -5.834 1.00 0.43 C ATOM 303 CD2 TYR A 240 0.020 -9.119 -6.291 1.00 0.64 C ATOM 304 CE1 TYR A 240 -1.256 -6.740 -6.819 1.00 0.57 C ATOM 305 CE2 TYR A 240 -0.935 -9.061 -7.285 1.00 0.79 C ATOM 306 CZ TYR A 240 -1.573 -7.868 -7.544 1.00 0.69 C ATOM 307 OH TYR A 240 -2.538 -7.804 -8.527 1.00 0.88 O ATOM 0 H TYR A 240 3.790 -7.381 -4.563 1.00 0.22 H new ATOM 0 HA TYR A 240 1.251 -5.995 -4.232 1.00 0.21 H new ATOM 0 HB2 TYR A 240 2.231 -8.684 -4.811 1.00 0.24 H new ATOM 0 HB3 TYR A 240 0.945 -8.667 -3.622 1.00 0.24 H new ATOM 0 HD1 TYR A 240 -0.045 -5.909 -5.275 1.00 0.43 H new ATOM 0 HD2 TYR A 240 0.511 -10.058 -6.083 1.00 0.64 H new ATOM 0 HE1 TYR A 240 -1.762 -5.808 -7.022 1.00 0.57 H new ATOM 0 HE2 TYR A 240 -1.181 -9.944 -7.856 1.00 0.79 H new ATOM 0 HH TYR A 240 -3.260 -7.208 -8.238 1.00 0.88 H new ATOM 317 N ALA A 241 0.876 -6.760 -1.735 1.00 0.14 N ATOM 318 CA ALA A 241 0.882 -6.955 -0.327 1.00 0.15 C ATOM 319 C ALA A 241 -0.453 -7.341 0.198 1.00 0.11 C ATOM 320 O ALA A 241 -1.459 -6.704 -0.055 1.00 0.12 O ATOM 321 CB ALA A 241 1.425 -5.747 0.396 1.00 0.24 C ATOM 0 H ALA A 241 -0.034 -6.554 -2.146 1.00 0.14 H new ATOM 0 HA ALA A 241 1.552 -7.792 -0.132 1.00 0.15 H new ATOM 0 HB1 ALA A 241 1.415 -5.931 1.470 1.00 0.24 H new ATOM 0 HB2 ALA A 241 2.448 -5.557 0.070 1.00 0.24 H new ATOM 0 HB3 ALA A 241 0.805 -4.879 0.171 1.00 0.24 H new ATOM 327 N ARG A 242 -0.428 -8.384 0.967 1.00 0.10 N ATOM 328 CA ARG A 242 -1.623 -8.960 1.500 1.00 0.08 C ATOM 329 C ARG A 242 -2.110 -8.106 2.646 1.00 0.08 C ATOM 330 O ARG A 242 -1.598 -8.175 3.756 1.00 0.11 O ATOM 331 CB ARG A 242 -1.330 -10.382 1.967 1.00 0.10 C ATOM 332 CG ARG A 242 -2.449 -11.049 2.774 1.00 0.10 C ATOM 333 CD ARG A 242 -3.550 -11.610 1.900 1.00 0.11 C ATOM 334 NE ARG A 242 -3.045 -12.458 0.821 1.00 0.18 N ATOM 335 CZ ARG A 242 -3.755 -12.773 -0.258 1.00 0.35 C ATOM 336 NH1 ARG A 242 -5.006 -12.345 -0.376 1.00 0.51 N ATOM 337 NH2 ARG A 242 -3.224 -13.532 -1.209 1.00 0.43 N ATOM 0 H ARG A 242 0.428 -8.863 1.245 1.00 0.10 H new ATOM 0 HA ARG A 242 -2.400 -9.000 0.737 1.00 0.08 H new ATOM 0 HB2 ARG A 242 -1.118 -10.998 1.093 1.00 0.10 H new ATOM 0 HB3 ARG A 242 -0.425 -10.368 2.574 1.00 0.10 H new ATOM 0 HG2 ARG A 242 -2.026 -11.852 3.377 1.00 0.10 H new ATOM 0 HG3 ARG A 242 -2.875 -10.322 3.465 1.00 0.10 H new ATOM 0 HD2 ARG A 242 -4.238 -12.188 2.517 1.00 0.11 H new ATOM 0 HD3 ARG A 242 -4.121 -10.787 1.471 1.00 0.11 H new ATOM 0 HE ARG A 242 -2.098 -12.827 0.900 1.00 0.18 H new ATOM 0 HH11 ARG A 242 -5.422 -11.775 0.361 1.00 0.51 H new ATOM 0 HH12 ARG A 242 -5.552 -12.586 -1.203 1.00 0.51 H new ATOM 0 HH21 ARG A 242 -2.268 -13.875 -1.113 1.00 0.43 H new ATOM 0 HH22 ARG A 242 -3.772 -13.772 -2.035 1.00 0.43 H new ATOM 351 N VAL A 243 -3.102 -7.301 2.367 1.00 0.07 N ATOM 352 CA VAL A 243 -3.619 -6.387 3.332 1.00 0.08 C ATOM 353 C VAL A 243 -4.195 -7.168 4.485 1.00 0.11 C ATOM 354 O VAL A 243 -4.806 -8.199 4.277 1.00 0.14 O ATOM 355 CB VAL A 243 -4.693 -5.474 2.709 1.00 0.10 C ATOM 356 CG1 VAL A 243 -5.830 -6.269 2.103 1.00 0.14 C ATOM 357 CG2 VAL A 243 -5.223 -4.547 3.764 1.00 0.18 C ATOM 0 H VAL A 243 -3.570 -7.266 1.461 1.00 0.07 H new ATOM 0 HA VAL A 243 -2.811 -5.748 3.688 1.00 0.08 H new ATOM 0 HB VAL A 243 -4.229 -4.904 1.904 1.00 0.10 H new ATOM 0 HG11 VAL A 243 -6.564 -5.586 1.675 1.00 0.14 H new ATOM 0 HG12 VAL A 243 -5.442 -6.921 1.320 1.00 0.14 H new ATOM 0 HG13 VAL A 243 -6.304 -6.873 2.876 1.00 0.14 H new ATOM 0 HG21 VAL A 243 -5.983 -3.898 3.330 1.00 0.18 H new ATOM 0 HG22 VAL A 243 -5.663 -5.130 4.573 1.00 0.18 H new ATOM 0 HG23 VAL A 243 -4.408 -3.939 4.156 1.00 0.18 H new ATOM 367 N ILE A 244 -3.965 -6.713 5.696 1.00 0.12 N ATOM 368 CA ILE A 244 -4.503 -7.427 6.848 1.00 0.16 C ATOM 369 C ILE A 244 -5.243 -6.514 7.773 1.00 0.13 C ATOM 370 O ILE A 244 -5.642 -6.928 8.851 1.00 0.17 O ATOM 371 CB ILE A 244 -3.452 -8.140 7.699 1.00 0.30 C ATOM 372 CG1 ILE A 244 -2.306 -7.191 8.024 1.00 0.43 C ATOM 373 CG2 ILE A 244 -2.994 -9.391 7.013 1.00 0.37 C ATOM 374 CD1 ILE A 244 -1.591 -7.507 9.318 1.00 0.61 C ATOM 0 H ILE A 244 -3.425 -5.876 5.914 1.00 0.12 H new ATOM 0 HA ILE A 244 -5.161 -8.170 6.397 1.00 0.16 H new ATOM 0 HB ILE A 244 -3.892 -8.442 8.649 1.00 0.30 H new ATOM 0 HG12 ILE A 244 -1.585 -7.216 7.207 1.00 0.43 H new ATOM 0 HG13 ILE A 244 -2.694 -6.174 8.075 1.00 0.43 H new ATOM 0 HG21 ILE A 244 -2.246 -9.890 7.628 1.00 0.37 H new ATOM 0 HG22 ILE A 244 -3.844 -10.057 6.864 1.00 0.37 H new ATOM 0 HG23 ILE A 244 -2.558 -9.137 6.047 1.00 0.37 H new ATOM 0 HD11 ILE A 244 -0.789 -6.786 9.476 1.00 0.61 H new ATOM 0 HD12 ILE A 244 -2.297 -7.452 10.147 1.00 0.61 H new ATOM 0 HD13 ILE A 244 -1.170 -8.511 9.265 1.00 0.61 H new ATOM 386 N GLN A 245 -5.398 -5.280 7.363 1.00 0.11 N ATOM 387 CA GLN A 245 -6.156 -4.306 8.131 1.00 0.12 C ATOM 388 C GLN A 245 -6.310 -3.051 7.326 1.00 0.11 C ATOM 389 O GLN A 245 -5.421 -2.212 7.246 1.00 0.12 O ATOM 390 CB GLN A 245 -5.499 -3.998 9.480 1.00 0.15 C ATOM 391 CG GLN A 245 -6.059 -4.808 10.633 1.00 0.21 C ATOM 392 CD GLN A 245 -5.870 -4.130 11.975 1.00 0.33 C ATOM 393 OE1 GLN A 245 -4.860 -4.329 12.650 1.00 1.05 O ATOM 394 NE2 GLN A 245 -6.841 -3.328 12.372 1.00 1.20 N ATOM 0 H GLN A 245 -5.007 -4.917 6.493 1.00 0.11 H new ATOM 0 HA GLN A 245 -7.136 -4.732 8.345 1.00 0.12 H new ATOM 0 HB2 GLN A 245 -4.428 -4.185 9.403 1.00 0.15 H new ATOM 0 HB3 GLN A 245 -5.622 -2.937 9.700 1.00 0.15 H new ATOM 0 HG2 GLN A 245 -7.122 -4.982 10.466 1.00 0.21 H new ATOM 0 HG3 GLN A 245 -5.575 -5.785 10.653 1.00 0.21 H new ATOM 0 HE21 GLN A 245 -7.662 -3.190 11.782 1.00 1.20 H new ATOM 0 HE22 GLN A 245 -6.770 -2.846 13.268 1.00 1.20 H new ATOM 403 N LYS A 246 -7.422 -2.984 6.665 1.00 0.12 N ATOM 404 CA LYS A 246 -7.784 -1.834 5.895 1.00 0.12 C ATOM 405 C LYS A 246 -9.268 -1.604 6.108 1.00 0.15 C ATOM 406 O LYS A 246 -9.964 -2.496 6.598 1.00 0.19 O ATOM 407 CB LYS A 246 -7.410 -2.124 4.453 1.00 0.12 C ATOM 408 CG LYS A 246 -7.037 -0.926 3.558 1.00 0.13 C ATOM 409 CD LYS A 246 -5.725 -1.188 2.816 1.00 0.14 C ATOM 410 CE LYS A 246 -4.557 -0.775 3.629 1.00 0.16 C ATOM 411 NZ LYS A 246 -3.266 -1.025 2.926 1.00 0.21 N ATOM 0 H LYS A 246 -8.113 -3.734 6.644 1.00 0.12 H new ATOM 0 HA LYS A 246 -7.266 -0.921 6.189 1.00 0.12 H new ATOM 0 HB2 LYS A 246 -6.567 -2.816 4.457 1.00 0.12 H new ATOM 0 HB3 LYS A 246 -8.247 -2.644 3.987 1.00 0.12 H new ATOM 0 HG2 LYS A 246 -7.835 -0.741 2.839 1.00 0.13 H new ATOM 0 HG3 LYS A 246 -6.942 -0.027 4.167 1.00 0.13 H new ATOM 0 HD2 LYS A 246 -5.646 -2.248 2.574 1.00 0.14 H new ATOM 0 HD3 LYS A 246 -5.724 -0.645 1.871 1.00 0.14 H new ATOM 0 HE2 LYS A 246 -4.639 0.285 3.868 1.00 0.16 H new ATOM 0 HE3 LYS A 246 -4.565 -1.317 4.575 1.00 0.16 H new ATOM 0 HZ1 LYS A 246 -2.477 -0.721 3.531 1.00 0.21 H new ATOM 0 HZ2 LYS A 246 -3.174 -2.040 2.720 1.00 0.21 H new ATOM 0 HZ3 LYS A 246 -3.246 -0.488 2.036 1.00 0.21 H new ATOM 425 N ARG A 247 -9.753 -0.445 5.764 1.00 0.16 N ATOM 426 CA ARG A 247 -11.156 -0.169 5.858 1.00 0.16 C ATOM 427 C ARG A 247 -11.749 -0.509 4.513 1.00 0.14 C ATOM 428 O ARG A 247 -10.993 -0.775 3.580 1.00 0.14 O ATOM 429 CB ARG A 247 -11.372 1.306 6.207 1.00 0.17 C ATOM 430 CG ARG A 247 -10.959 2.263 5.097 1.00 0.18 C ATOM 431 CD ARG A 247 -10.895 3.714 5.559 1.00 0.23 C ATOM 432 NE ARG A 247 -12.114 4.462 5.223 1.00 0.49 N ATOM 433 CZ ARG A 247 -13.126 4.696 6.059 1.00 0.63 C ATOM 434 NH1 ARG A 247 -13.092 4.244 7.304 1.00 1.63 N ATOM 435 NH2 ARG A 247 -14.168 5.403 5.638 1.00 0.63 N ATOM 0 H ARG A 247 -9.190 0.330 5.413 1.00 0.16 H new ATOM 0 HA ARG A 247 -11.635 -0.756 6.642 1.00 0.16 H new ATOM 0 HB2 ARG A 247 -12.425 1.465 6.439 1.00 0.17 H new ATOM 0 HB3 ARG A 247 -10.807 1.544 7.109 1.00 0.17 H new ATOM 0 HG2 ARG A 247 -9.983 1.966 4.712 1.00 0.18 H new ATOM 0 HG3 ARG A 247 -11.666 2.181 4.271 1.00 0.18 H new ATOM 0 HD2 ARG A 247 -10.740 3.743 6.638 1.00 0.23 H new ATOM 0 HD3 ARG A 247 -10.035 4.201 5.100 1.00 0.23 H new ATOM 0 HE ARG A 247 -12.192 4.831 4.275 1.00 0.49 H new ATOM 0 HH11 ARG A 247 -12.286 3.711 7.631 1.00 1.63 H new ATOM 0 HH12 ARG A 247 -13.872 4.429 7.935 1.00 1.63 H new ATOM 0 HH21 ARG A 247 -14.189 5.761 4.683 1.00 0.63 H new ATOM 0 HH22 ARG A 247 -14.948 5.588 6.269 1.00 0.63 H new ATOM 449 N VAL A 248 -13.058 -0.591 4.398 1.00 0.15 N ATOM 450 CA VAL A 248 -13.651 -0.555 3.089 1.00 0.15 C ATOM 451 C VAL A 248 -14.056 0.877 2.779 1.00 0.14 C ATOM 452 O VAL A 248 -15.120 1.353 3.180 1.00 0.16 O ATOM 453 CB VAL A 248 -14.834 -1.533 2.930 1.00 0.19 C ATOM 454 CG1 VAL A 248 -15.749 -1.091 1.805 1.00 0.21 C ATOM 455 CG2 VAL A 248 -14.303 -2.922 2.637 1.00 0.21 C ATOM 0 H VAL A 248 -13.712 -0.681 5.175 1.00 0.15 H new ATOM 0 HA VAL A 248 -12.908 -0.894 2.367 1.00 0.15 H new ATOM 0 HB VAL A 248 -15.406 -1.543 3.858 1.00 0.19 H new ATOM 0 HG11 VAL A 248 -16.576 -1.795 1.711 1.00 0.21 H new ATOM 0 HG12 VAL A 248 -16.141 -0.098 2.024 1.00 0.21 H new ATOM 0 HG13 VAL A 248 -15.189 -1.062 0.870 1.00 0.21 H new ATOM 0 HG21 VAL A 248 -15.137 -3.614 2.524 1.00 0.21 H new ATOM 0 HG22 VAL A 248 -13.721 -2.902 1.716 1.00 0.21 H new ATOM 0 HG23 VAL A 248 -13.668 -3.250 3.460 1.00 0.21 H new ATOM 465 N PRO A 249 -13.141 1.612 2.149 1.00 0.13 N ATOM 466 CA PRO A 249 -13.374 2.932 1.687 1.00 0.15 C ATOM 467 C PRO A 249 -13.722 2.923 0.213 1.00 0.16 C ATOM 468 O PRO A 249 -14.353 1.994 -0.295 1.00 0.17 O ATOM 469 CB PRO A 249 -12.015 3.606 1.911 1.00 0.16 C ATOM 470 CG PRO A 249 -11.009 2.494 1.990 1.00 0.14 C ATOM 471 CD PRO A 249 -11.778 1.227 1.846 1.00 0.13 C ATOM 0 HA PRO A 249 -14.200 3.433 2.192 1.00 0.15 H new ATOM 0 HB2 PRO A 249 -11.779 4.288 1.095 1.00 0.16 H new ATOM 0 HB3 PRO A 249 -12.018 4.195 2.828 1.00 0.16 H new ATOM 0 HG2 PRO A 249 -10.262 2.588 1.202 1.00 0.14 H new ATOM 0 HG3 PRO A 249 -10.475 2.519 2.940 1.00 0.14 H new ATOM 0 HD2 PRO A 249 -11.692 0.820 0.839 1.00 0.13 H new ATOM 0 HD3 PRO A 249 -11.417 0.460 2.532 1.00 0.13 H new ATOM 479 N ASN A 250 -13.292 3.959 -0.456 1.00 0.17 N ATOM 480 CA ASN A 250 -13.364 4.047 -1.891 1.00 0.20 C ATOM 481 C ASN A 250 -12.391 5.106 -2.353 1.00 0.21 C ATOM 482 O ASN A 250 -11.760 5.774 -1.533 1.00 0.19 O ATOM 483 CB ASN A 250 -14.775 4.381 -2.382 1.00 0.24 C ATOM 484 CG ASN A 250 -15.476 5.411 -1.516 1.00 0.69 C ATOM 485 OD1 ASN A 250 -15.325 6.607 -1.719 1.00 1.18 O ATOM 486 ND2 ASN A 250 -16.256 4.951 -0.549 1.00 1.28 N ATOM 0 H ASN A 250 -12.875 4.778 -0.013 1.00 0.17 H new ATOM 0 HA ASN A 250 -13.106 3.075 -2.311 1.00 0.20 H new ATOM 0 HB2 ASN A 250 -14.719 4.752 -3.405 1.00 0.24 H new ATOM 0 HB3 ASN A 250 -15.371 3.469 -2.406 1.00 0.24 H new ATOM 0 HD21 ASN A 250 -16.755 5.602 0.057 1.00 1.28 H new ATOM 0 HD22 ASN A 250 -16.357 3.946 -0.410 1.00 1.28 H new ATOM 493 N ALA A 251 -12.265 5.267 -3.649 1.00 0.26 N ATOM 494 CA ALA A 251 -11.359 6.257 -4.192 1.00 0.31 C ATOM 495 C ALA A 251 -11.910 7.661 -4.016 1.00 0.37 C ATOM 496 O ALA A 251 -11.220 8.650 -4.245 1.00 0.42 O ATOM 497 CB ALA A 251 -11.078 5.966 -5.652 1.00 0.39 C ATOM 0 H ALA A 251 -12.776 4.728 -4.348 1.00 0.26 H new ATOM 0 HA ALA A 251 -10.421 6.200 -3.640 1.00 0.31 H new ATOM 0 HB1 ALA A 251 -10.395 6.718 -6.048 1.00 0.39 H new ATOM 0 HB2 ALA A 251 -10.625 4.979 -5.746 1.00 0.39 H new ATOM 0 HB3 ALA A 251 -12.011 5.991 -6.214 1.00 0.39 H new ATOM 503 N TYR A 252 -13.160 7.744 -3.625 1.00 0.39 N ATOM 504 CA TYR A 252 -13.787 9.020 -3.363 1.00 0.47 C ATOM 505 C TYR A 252 -13.485 9.447 -1.943 1.00 0.46 C ATOM 506 O TYR A 252 -13.482 10.631 -1.606 1.00 0.56 O ATOM 507 CB TYR A 252 -15.282 8.891 -3.557 1.00 0.57 C ATOM 508 CG TYR A 252 -15.667 8.375 -4.923 1.00 0.95 C ATOM 509 CD1 TYR A 252 -14.845 8.572 -6.027 1.00 1.30 C ATOM 510 CD2 TYR A 252 -16.854 7.691 -5.101 1.00 1.27 C ATOM 511 CE1 TYR A 252 -15.202 8.096 -7.274 1.00 1.80 C ATOM 512 CE2 TYR A 252 -17.219 7.211 -6.344 1.00 1.76 C ATOM 513 CZ TYR A 252 -16.391 7.417 -7.427 1.00 1.98 C ATOM 514 OH TYR A 252 -16.754 6.939 -8.667 1.00 2.53 O ATOM 0 H TYR A 252 -13.767 6.937 -3.480 1.00 0.39 H new ATOM 0 HA TYR A 252 -13.399 9.771 -4.051 1.00 0.47 H new ATOM 0 HB2 TYR A 252 -15.683 8.220 -2.797 1.00 0.57 H new ATOM 0 HB3 TYR A 252 -15.747 9.864 -3.400 1.00 0.57 H new ATOM 0 HD1 TYR A 252 -13.913 9.105 -5.908 1.00 1.30 H new ATOM 0 HD2 TYR A 252 -17.506 7.529 -4.256 1.00 1.27 H new ATOM 0 HE1 TYR A 252 -14.554 8.255 -8.123 1.00 1.80 H new ATOM 0 HE2 TYR A 252 -18.149 6.676 -6.467 1.00 1.76 H new ATOM 0 HH TYR A 252 -17.619 6.484 -8.602 1.00 2.53 H new ATOM 524 N ASP A 253 -13.211 8.447 -1.132 1.00 0.40 N ATOM 525 CA ASP A 253 -12.930 8.616 0.262 1.00 0.43 C ATOM 526 C ASP A 253 -11.487 8.915 0.430 1.00 0.38 C ATOM 527 O ASP A 253 -10.713 8.016 0.775 1.00 0.34 O ATOM 528 CB ASP A 253 -13.146 7.297 0.946 1.00 0.44 C ATOM 529 CG ASP A 253 -13.792 7.391 2.318 1.00 0.56 C ATOM 530 OD1 ASP A 253 -14.250 8.483 2.700 1.00 0.80 O ATOM 531 OD2 ASP A 253 -13.823 6.362 3.036 1.00 0.88 O ATOM 0 H ASP A 253 -13.179 7.475 -1.439 1.00 0.40 H new ATOM 0 HA ASP A 253 -13.561 9.408 0.665 1.00 0.43 H new ATOM 0 HB2 ASP A 253 -13.769 6.670 0.308 1.00 0.44 H new ATOM 0 HB3 ASP A 253 -12.185 6.793 1.046 1.00 0.44 H new ATOM 536 N LYS A 254 -11.106 10.146 0.177 1.00 0.43 N ATOM 537 CA LYS A 254 -9.747 10.563 0.428 1.00 0.41 C ATOM 538 C LYS A 254 -8.782 9.796 -0.459 1.00 0.31 C ATOM 539 O LYS A 254 -7.578 9.956 -0.351 1.00 0.28 O ATOM 540 CB LYS A 254 -9.457 10.289 1.898 1.00 0.45 C ATOM 541 CG LYS A 254 -10.499 10.921 2.785 1.00 0.60 C ATOM 542 CD LYS A 254 -10.406 10.456 4.229 1.00 0.74 C ATOM 543 CE LYS A 254 -11.158 9.148 4.437 1.00 0.79 C ATOM 544 NZ LYS A 254 -11.242 8.780 5.873 1.00 1.32 N ATOM 0 H LYS A 254 -11.715 10.872 -0.200 1.00 0.43 H new ATOM 0 HA LYS A 254 -9.621 11.622 0.203 1.00 0.41 H new ATOM 0 HB2 LYS A 254 -9.431 9.213 2.072 1.00 0.45 H new ATOM 0 HB3 LYS A 254 -8.472 10.677 2.156 1.00 0.45 H new ATOM 0 HG2 LYS A 254 -10.390 12.005 2.750 1.00 0.60 H new ATOM 0 HG3 LYS A 254 -11.490 10.687 2.396 1.00 0.60 H new ATOM 0 HD2 LYS A 254 -9.360 10.325 4.505 1.00 0.74 H new ATOM 0 HD3 LYS A 254 -10.815 11.222 4.887 1.00 0.74 H new ATOM 0 HE2 LYS A 254 -12.163 9.238 4.026 1.00 0.79 H new ATOM 0 HE3 LYS A 254 -10.659 8.351 3.886 1.00 0.79 H new ATOM 0 HZ1 LYS A 254 -11.761 7.884 5.972 1.00 1.32 H new ATOM 0 HZ2 LYS A 254 -10.283 8.669 6.260 1.00 1.32 H new ATOM 0 HZ3 LYS A 254 -11.741 9.529 6.395 1.00 1.32 H new ATOM 558 N THR A 255 -9.361 8.981 -1.339 1.00 0.28 N ATOM 559 CA THR A 255 -8.680 7.937 -2.067 1.00 0.22 C ATOM 560 C THR A 255 -8.099 6.976 -1.063 1.00 0.15 C ATOM 561 O THR A 255 -7.012 7.185 -0.523 1.00 0.14 O ATOM 562 CB THR A 255 -7.606 8.405 -3.100 1.00 0.27 C ATOM 563 OG1 THR A 255 -6.616 9.244 -2.505 1.00 0.41 O ATOM 564 CG2 THR A 255 -8.252 9.137 -4.262 1.00 0.55 C ATOM 0 H THR A 255 -10.354 9.040 -1.566 1.00 0.28 H new ATOM 0 HA THR A 255 -9.427 7.459 -2.700 1.00 0.22 H new ATOM 0 HB THR A 255 -7.115 7.503 -3.466 1.00 0.27 H new ATOM 0 HG1 THR A 255 -6.666 9.168 -1.529 1.00 0.41 H new ATOM 0 HG21 THR A 255 -7.482 9.452 -4.967 1.00 0.55 H new ATOM 0 HG22 THR A 255 -8.955 8.473 -4.765 1.00 0.55 H new ATOM 0 HG23 THR A 255 -8.784 10.013 -3.890 1.00 0.55 H new ATOM 572 N ALA A 256 -8.929 6.022 -0.691 1.00 0.13 N ATOM 573 CA ALA A 256 -8.524 4.946 0.178 1.00 0.11 C ATOM 574 C ALA A 256 -8.774 3.553 -0.456 1.00 0.10 C ATOM 575 O ALA A 256 -9.567 3.420 -1.388 1.00 0.12 O ATOM 576 CB ALA A 256 -9.216 5.106 1.509 1.00 0.13 C ATOM 0 H ALA A 256 -9.904 5.975 -0.986 1.00 0.13 H new ATOM 0 HA ALA A 256 -7.446 5.001 0.333 1.00 0.11 H new ATOM 0 HB1 ALA A 256 -8.916 4.296 2.175 1.00 0.13 H new ATOM 0 HB2 ALA A 256 -8.937 6.062 1.952 1.00 0.13 H new ATOM 0 HB3 ALA A 256 -10.296 5.075 1.364 1.00 0.13 H new ATOM 582 N LEU A 257 -8.124 2.517 0.092 1.00 0.10 N ATOM 583 CA LEU A 257 -8.144 1.155 -0.491 1.00 0.09 C ATOM 584 C LEU A 257 -9.289 0.316 -0.006 1.00 0.09 C ATOM 585 O LEU A 257 -9.360 -0.013 1.173 1.00 0.11 O ATOM 586 CB LEU A 257 -6.859 0.389 -0.152 1.00 0.11 C ATOM 587 CG LEU A 257 -5.616 0.790 -0.905 1.00 0.19 C ATOM 588 CD1 LEU A 257 -5.914 1.169 -2.341 1.00 0.27 C ATOM 589 CD2 LEU A 257 -4.917 1.931 -0.204 1.00 0.21 C ATOM 0 H LEU A 257 -7.571 2.591 0.946 1.00 0.10 H new ATOM 0 HA LEU A 257 -8.245 1.315 -1.565 1.00 0.09 H new ATOM 0 HB2 LEU A 257 -6.664 0.505 0.914 1.00 0.11 H new ATOM 0 HB3 LEU A 257 -7.038 -0.672 -0.329 1.00 0.11 H new ATOM 0 HG LEU A 257 -4.959 -0.080 -0.923 1.00 0.19 H new ATOM 0 HD11 LEU A 257 -4.988 1.450 -2.843 1.00 0.27 H new ATOM 0 HD12 LEU A 257 -6.362 0.319 -2.856 1.00 0.27 H new ATOM 0 HD13 LEU A 257 -6.607 2.011 -2.359 1.00 0.27 H new ATOM 0 HD21 LEU A 257 -4.022 2.207 -0.762 1.00 0.21 H new ATOM 0 HD22 LEU A 257 -5.588 2.788 -0.147 1.00 0.21 H new ATOM 0 HD23 LEU A 257 -4.636 1.622 0.803 1.00 0.21 H new ATOM 601 N ALA A 258 -10.127 -0.109 -0.938 1.00 0.10 N ATOM 602 CA ALA A 258 -11.268 -0.918 -0.589 1.00 0.11 C ATOM 603 C ALA A 258 -10.940 -2.379 -0.675 1.00 0.11 C ATOM 604 O ALA A 258 -10.998 -2.998 -1.736 1.00 0.14 O ATOM 605 CB ALA A 258 -12.420 -0.594 -1.484 1.00 0.14 C ATOM 0 H ALA A 258 -10.034 0.094 -1.933 1.00 0.10 H new ATOM 0 HA ALA A 258 -11.543 -0.693 0.442 1.00 0.11 H new ATOM 0 HB1 ALA A 258 -13.277 -1.211 -1.212 1.00 0.14 H new ATOM 0 HB2 ALA A 258 -12.681 0.459 -1.374 1.00 0.14 H new ATOM 0 HB3 ALA A 258 -12.144 -0.793 -2.519 1.00 0.14 H new ATOM 611 N LEU A 259 -10.569 -2.905 0.456 1.00 0.10 N ATOM 612 CA LEU A 259 -10.283 -4.311 0.604 1.00 0.12 C ATOM 613 C LEU A 259 -10.412 -4.693 2.072 1.00 0.12 C ATOM 614 O LEU A 259 -10.507 -3.821 2.937 1.00 0.12 O ATOM 615 CB LEU A 259 -8.881 -4.608 0.064 1.00 0.14 C ATOM 616 CG LEU A 259 -7.996 -3.377 0.029 1.00 0.11 C ATOM 617 CD1 LEU A 259 -7.788 -2.872 1.406 1.00 0.49 C ATOM 618 CD2 LEU A 259 -6.663 -3.632 -0.593 1.00 0.55 C ATOM 0 H LEU A 259 -10.454 -2.367 1.315 1.00 0.10 H new ATOM 0 HA LEU A 259 -10.994 -4.907 0.032 1.00 0.12 H new ATOM 0 HB2 LEU A 259 -8.411 -5.371 0.684 1.00 0.14 H new ATOM 0 HB3 LEU A 259 -8.963 -5.021 -0.942 1.00 0.14 H new ATOM 0 HG LEU A 259 -8.512 -2.640 -0.586 1.00 0.11 H new ATOM 0 HD11 LEU A 259 -7.152 -1.988 1.377 1.00 0.49 H new ATOM 0 HD12 LEU A 259 -8.750 -2.612 1.848 1.00 0.49 H new ATOM 0 HD13 LEU A 259 -7.309 -3.644 2.008 1.00 0.49 H new ATOM 0 HD21 LEU A 259 -6.077 -2.713 -0.588 1.00 0.55 H new ATOM 0 HD22 LEU A 259 -6.138 -4.400 -0.025 1.00 0.55 H new ATOM 0 HD23 LEU A 259 -6.799 -3.970 -1.620 1.00 0.55 H new ATOM 630 N GLU A 260 -10.420 -5.972 2.357 1.00 0.15 N ATOM 631 CA GLU A 260 -10.592 -6.435 3.725 1.00 0.16 C ATOM 632 C GLU A 260 -9.267 -6.927 4.287 1.00 0.15 C ATOM 633 O GLU A 260 -8.283 -7.057 3.573 1.00 0.16 O ATOM 634 CB GLU A 260 -11.664 -7.542 3.754 1.00 0.21 C ATOM 635 CG GLU A 260 -11.571 -8.546 4.899 1.00 0.23 C ATOM 636 CD GLU A 260 -12.930 -8.965 5.407 1.00 0.47 C ATOM 637 OE1 GLU A 260 -13.570 -8.164 6.118 1.00 0.75 O ATOM 638 OE2 GLU A 260 -13.362 -10.095 5.099 1.00 0.92 O ATOM 0 H GLU A 260 -10.310 -6.715 1.667 1.00 0.15 H new ATOM 0 HA GLU A 260 -10.927 -5.611 4.354 1.00 0.16 H new ATOM 0 HB2 GLU A 260 -12.644 -7.067 3.795 1.00 0.21 H new ATOM 0 HB3 GLU A 260 -11.614 -8.091 2.813 1.00 0.21 H new ATOM 0 HG2 GLU A 260 -11.024 -9.427 4.563 1.00 0.23 H new ATOM 0 HG3 GLU A 260 -10.999 -8.108 5.717 1.00 0.23 H new ATOM 645 N VAL A 261 -9.227 -7.120 5.573 1.00 0.16 N ATOM 646 CA VAL A 261 -8.180 -7.889 6.191 1.00 0.16 C ATOM 647 C VAL A 261 -7.996 -9.247 5.505 1.00 0.17 C ATOM 648 O VAL A 261 -8.945 -10.025 5.383 1.00 0.21 O ATOM 649 CB VAL A 261 -8.543 -8.134 7.644 1.00 0.19 C ATOM 650 CG1 VAL A 261 -7.571 -9.119 8.272 1.00 0.21 C ATOM 651 CG2 VAL A 261 -8.600 -6.812 8.362 1.00 0.18 C ATOM 0 H VAL A 261 -9.918 -6.750 6.225 1.00 0.16 H new ATOM 0 HA VAL A 261 -7.251 -7.326 6.103 1.00 0.16 H new ATOM 0 HB VAL A 261 -9.529 -8.593 7.723 1.00 0.19 H new ATOM 0 HG11 VAL A 261 -7.844 -9.285 9.314 1.00 0.21 H new ATOM 0 HG12 VAL A 261 -7.611 -10.065 7.731 1.00 0.21 H new ATOM 0 HG13 VAL A 261 -6.560 -8.715 8.222 1.00 0.21 H new ATOM 0 HG21 VAL A 261 -8.860 -6.977 9.408 1.00 0.18 H new ATOM 0 HG22 VAL A 261 -7.627 -6.324 8.303 1.00 0.18 H new ATOM 0 HG23 VAL A 261 -9.354 -6.177 7.896 1.00 0.18 H new ATOM 661 N GLY A 262 -6.785 -9.529 5.060 1.00 0.17 N ATOM 662 CA GLY A 262 -6.497 -10.810 4.459 1.00 0.18 C ATOM 663 C GLY A 262 -6.643 -10.767 2.966 1.00 0.17 C ATOM 664 O GLY A 262 -6.482 -11.769 2.269 1.00 0.19 O ATOM 0 H GLY A 262 -5.992 -8.889 5.105 1.00 0.17 H new ATOM 0 HA2 GLY A 262 -5.482 -11.113 4.717 1.00 0.18 H new ATOM 0 HA3 GLY A 262 -7.169 -11.564 4.869 1.00 0.18 H new ATOM 668 N GLU A 263 -6.985 -9.600 2.485 1.00 0.16 N ATOM 669 CA GLU A 263 -7.108 -9.349 1.078 1.00 0.17 C ATOM 670 C GLU A 263 -5.760 -8.925 0.532 1.00 0.13 C ATOM 671 O GLU A 263 -4.741 -9.202 1.136 1.00 0.11 O ATOM 672 CB GLU A 263 -8.187 -8.300 0.919 1.00 0.18 C ATOM 673 CG GLU A 263 -9.473 -8.760 1.573 1.00 0.21 C ATOM 674 CD GLU A 263 -10.554 -9.108 0.576 1.00 0.51 C ATOM 675 OE1 GLU A 263 -10.531 -10.239 0.044 1.00 0.75 O ATOM 676 OE2 GLU A 263 -11.434 -8.257 0.327 1.00 0.84 O ATOM 0 H GLU A 263 -7.188 -8.789 3.069 1.00 0.16 H new ATOM 0 HA GLU A 263 -7.398 -10.232 0.508 1.00 0.17 H new ATOM 0 HB2 GLU A 263 -7.859 -7.362 1.367 1.00 0.18 H new ATOM 0 HB3 GLU A 263 -8.360 -8.105 -0.139 1.00 0.18 H new ATOM 0 HG2 GLU A 263 -9.266 -9.631 2.194 1.00 0.21 H new ATOM 0 HG3 GLU A 263 -9.837 -7.975 2.236 1.00 0.21 H new ATOM 683 N LEU A 264 -5.732 -8.269 -0.587 1.00 0.17 N ATOM 684 CA LEU A 264 -4.463 -7.946 -1.221 1.00 0.18 C ATOM 685 C LEU A 264 -4.506 -6.554 -1.798 1.00 0.17 C ATOM 686 O LEU A 264 -5.535 -6.083 -2.280 1.00 0.31 O ATOM 687 CB LEU A 264 -4.230 -8.997 -2.295 1.00 0.48 C ATOM 688 CG LEU A 264 -2.855 -9.121 -2.973 1.00 0.31 C ATOM 689 CD1 LEU A 264 -2.545 -7.930 -3.829 1.00 0.36 C ATOM 690 CD2 LEU A 264 -1.744 -9.320 -1.975 1.00 0.83 C ATOM 0 H LEU A 264 -6.559 -7.943 -1.087 1.00 0.17 H new ATOM 0 HA LEU A 264 -3.642 -7.957 -0.504 1.00 0.18 H new ATOM 0 HB2 LEU A 264 -4.461 -9.966 -1.853 1.00 0.48 H new ATOM 0 HB3 LEU A 264 -4.964 -8.822 -3.082 1.00 0.48 H new ATOM 0 HG LEU A 264 -2.915 -10.006 -3.607 1.00 0.31 H new ATOM 0 HD11 LEU A 264 -1.565 -8.058 -4.289 1.00 0.36 H new ATOM 0 HD12 LEU A 264 -3.302 -7.834 -4.607 1.00 0.36 H new ATOM 0 HD13 LEU A 264 -2.542 -7.030 -3.213 1.00 0.36 H new ATOM 0 HD21 LEU A 264 -0.793 -9.402 -2.501 1.00 0.83 H new ATOM 0 HD22 LEU A 264 -1.710 -8.470 -1.294 1.00 0.83 H new ATOM 0 HD23 LEU A 264 -1.924 -10.233 -1.407 1.00 0.83 H new ATOM 702 N VAL A 265 -3.366 -5.929 -1.748 1.00 0.19 N ATOM 703 CA VAL A 265 -3.199 -4.571 -2.163 1.00 0.19 C ATOM 704 C VAL A 265 -1.864 -4.446 -2.883 1.00 0.24 C ATOM 705 O VAL A 265 -1.100 -5.396 -2.922 1.00 0.47 O ATOM 706 CB VAL A 265 -3.249 -3.640 -0.928 1.00 0.16 C ATOM 707 CG1 VAL A 265 -1.918 -3.571 -0.205 1.00 0.25 C ATOM 708 CG2 VAL A 265 -3.683 -2.250 -1.274 1.00 0.27 C ATOM 0 H VAL A 265 -2.507 -6.362 -1.409 1.00 0.19 H new ATOM 0 HA VAL A 265 -4.001 -4.278 -2.841 1.00 0.19 H new ATOM 0 HB VAL A 265 -3.992 -4.086 -0.266 1.00 0.16 H new ATOM 0 HG11 VAL A 265 -2.005 -2.905 0.654 1.00 0.25 H new ATOM 0 HG12 VAL A 265 -1.637 -4.568 0.135 1.00 0.25 H new ATOM 0 HG13 VAL A 265 -1.155 -3.190 -0.884 1.00 0.25 H new ATOM 0 HG21 VAL A 265 -3.701 -1.639 -0.371 1.00 0.27 H new ATOM 0 HG22 VAL A 265 -2.984 -1.818 -1.991 1.00 0.27 H new ATOM 0 HG23 VAL A 265 -4.681 -2.279 -1.712 1.00 0.27 H new ATOM 718 N LYS A 266 -1.593 -3.312 -3.478 1.00 0.14 N ATOM 719 CA LYS A 266 -0.294 -3.064 -4.057 1.00 0.15 C ATOM 720 C LYS A 266 0.137 -1.677 -3.704 1.00 0.32 C ATOM 721 O LYS A 266 -0.692 -0.846 -3.420 1.00 0.74 O ATOM 722 CB LYS A 266 -0.318 -3.248 -5.572 1.00 0.26 C ATOM 723 CG LYS A 266 1.067 -3.459 -6.135 1.00 0.42 C ATOM 724 CD LYS A 266 1.173 -3.148 -7.622 1.00 0.57 C ATOM 725 CE LYS A 266 0.229 -3.992 -8.470 1.00 0.96 C ATOM 726 NZ LYS A 266 0.833 -5.306 -8.833 1.00 1.84 N ATOM 0 H LYS A 266 -2.256 -2.543 -3.575 1.00 0.14 H new ATOM 0 HA LYS A 266 0.417 -3.785 -3.654 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.946 -4.102 -5.824 1.00 0.26 H new ATOM 0 HB3 LYS A 266 -0.769 -2.372 -6.037 1.00 0.26 H new ATOM 0 HG2 LYS A 266 1.772 -2.831 -5.590 1.00 0.42 H new ATOM 0 HG3 LYS A 266 1.365 -4.494 -5.966 1.00 0.42 H new ATOM 0 HD2 LYS A 266 0.955 -2.093 -7.784 1.00 0.57 H new ATOM 0 HD3 LYS A 266 2.198 -3.316 -7.952 1.00 0.57 H new ATOM 0 HE2 LYS A 266 -0.700 -4.158 -7.924 1.00 0.96 H new ATOM 0 HE3 LYS A 266 -0.028 -3.447 -9.378 1.00 0.96 H new ATOM 0 HZ1 LYS A 266 0.799 -5.430 -9.865 1.00 1.84 H new ATOM 0 HZ2 LYS A 266 1.822 -5.334 -8.513 1.00 1.84 H new ATOM 0 HZ3 LYS A 266 0.299 -6.072 -8.374 1.00 1.84 H new ATOM 740 N VAL A 267 1.419 -1.439 -3.608 1.00 0.14 N ATOM 741 CA VAL A 267 1.857 -0.086 -3.455 1.00 0.16 C ATOM 742 C VAL A 267 2.722 0.319 -4.639 1.00 0.20 C ATOM 743 O VAL A 267 3.809 -0.215 -4.886 1.00 0.23 O ATOM 744 CB VAL A 267 2.522 0.176 -2.098 1.00 0.20 C ATOM 745 CG1 VAL A 267 3.855 -0.521 -1.969 1.00 0.31 C ATOM 746 CG2 VAL A 267 2.632 1.665 -1.868 1.00 0.22 C ATOM 0 H VAL A 267 2.155 -2.144 -3.632 1.00 0.14 H new ATOM 0 HA VAL A 267 0.977 0.557 -3.454 1.00 0.16 H new ATOM 0 HB VAL A 267 1.892 -0.250 -1.317 1.00 0.20 H new ATOM 0 HG11 VAL A 267 4.286 -0.305 -0.991 1.00 0.31 H new ATOM 0 HG12 VAL A 267 3.715 -1.597 -2.074 1.00 0.31 H new ATOM 0 HG13 VAL A 267 4.528 -0.165 -2.749 1.00 0.31 H new ATOM 0 HG21 VAL A 267 3.105 1.850 -0.903 1.00 0.22 H new ATOM 0 HG22 VAL A 267 3.234 2.112 -2.659 1.00 0.22 H new ATOM 0 HG23 VAL A 267 1.636 2.109 -1.875 1.00 0.22 H new ATOM 756 N THR A 268 2.160 1.251 -5.382 1.00 0.21 N ATOM 757 CA THR A 268 2.623 1.657 -6.684 1.00 0.24 C ATOM 758 C THR A 268 2.970 3.145 -6.714 1.00 0.24 C ATOM 759 O THR A 268 3.582 3.633 -7.663 1.00 0.35 O ATOM 760 CB THR A 268 1.484 1.417 -7.694 1.00 0.26 C ATOM 761 OG1 THR A 268 1.879 1.834 -9.008 1.00 0.31 O ATOM 762 CG2 THR A 268 0.225 2.181 -7.251 1.00 0.24 C ATOM 0 H THR A 268 1.333 1.765 -5.078 1.00 0.21 H new ATOM 0 HA THR A 268 3.516 1.083 -6.929 1.00 0.24 H new ATOM 0 HB THR A 268 1.263 0.350 -7.725 1.00 0.26 H new ATOM 0 HG1 THR A 268 2.502 2.588 -8.939 1.00 0.31 H new ATOM 0 HG21 THR A 268 -0.577 2.008 -7.969 1.00 0.24 H new ATOM 0 HG22 THR A 268 -0.086 1.830 -6.267 1.00 0.24 H new ATOM 0 HG23 THR A 268 0.445 3.248 -7.203 1.00 0.24 H new ATOM 770 N LYS A 269 2.562 3.864 -5.681 1.00 0.20 N ATOM 771 CA LYS A 269 2.588 5.310 -5.706 1.00 0.23 C ATOM 772 C LYS A 269 3.498 5.831 -4.619 1.00 0.28 C ATOM 773 O LYS A 269 3.122 5.883 -3.460 1.00 0.45 O ATOM 774 CB LYS A 269 1.177 5.870 -5.472 1.00 0.25 C ATOM 775 CG LYS A 269 1.041 7.367 -5.713 1.00 0.49 C ATOM 776 CD LYS A 269 1.510 7.773 -7.100 1.00 0.59 C ATOM 777 CE LYS A 269 2.793 8.586 -7.027 1.00 0.49 C ATOM 778 NZ LYS A 269 3.299 8.962 -8.375 1.00 1.40 N ATOM 0 H LYS A 269 2.208 3.464 -4.812 1.00 0.20 H new ATOM 0 HA LYS A 269 2.955 5.628 -6.682 1.00 0.23 H new ATOM 0 HB2 LYS A 269 0.479 5.345 -6.125 1.00 0.25 H new ATOM 0 HB3 LYS A 269 0.879 5.652 -4.446 1.00 0.25 H new ATOM 0 HG2 LYS A 269 -0.001 7.660 -5.584 1.00 0.49 H new ATOM 0 HG3 LYS A 269 1.619 7.907 -4.964 1.00 0.49 H new ATOM 0 HD2 LYS A 269 1.674 6.883 -7.707 1.00 0.59 H new ATOM 0 HD3 LYS A 269 0.733 8.357 -7.594 1.00 0.59 H new ATOM 0 HE2 LYS A 269 2.616 9.489 -6.443 1.00 0.49 H new ATOM 0 HE3 LYS A 269 3.556 8.011 -6.502 1.00 0.49 H new ATOM 0 HZ1 LYS A 269 4.174 9.515 -8.275 1.00 1.40 H new ATOM 0 HZ2 LYS A 269 3.494 8.101 -8.925 1.00 1.40 H new ATOM 0 HZ3 LYS A 269 2.583 9.533 -8.868 1.00 1.40 H new ATOM 792 N ILE A 270 4.690 6.207 -4.981 1.00 0.31 N ATOM 793 CA ILE A 270 5.580 6.829 -4.026 1.00 0.34 C ATOM 794 C ILE A 270 5.392 8.339 -4.046 1.00 0.38 C ATOM 795 O ILE A 270 5.842 9.024 -4.964 1.00 0.42 O ATOM 796 CB ILE A 270 7.061 6.486 -4.284 1.00 0.39 C ATOM 797 CG1 ILE A 270 7.243 5.675 -5.573 1.00 0.57 C ATOM 798 CG2 ILE A 270 7.641 5.720 -3.108 1.00 0.61 C ATOM 799 CD1 ILE A 270 6.933 6.431 -6.847 1.00 1.44 C ATOM 0 H ILE A 270 5.072 6.098 -5.920 1.00 0.31 H new ATOM 0 HA ILE A 270 5.321 6.432 -3.044 1.00 0.34 H new ATOM 0 HB ILE A 270 7.596 7.429 -4.402 1.00 0.39 H new ATOM 0 HG12 ILE A 270 8.272 5.319 -5.620 1.00 0.57 H new ATOM 0 HG13 ILE A 270 6.603 4.794 -5.525 1.00 0.57 H new ATOM 0 HG21 ILE A 270 8.687 5.486 -3.307 1.00 0.61 H new ATOM 0 HG22 ILE A 270 7.570 6.329 -2.207 1.00 0.61 H new ATOM 0 HG23 ILE A 270 7.083 4.795 -2.966 1.00 0.61 H new ATOM 0 HD11 ILE A 270 7.090 5.778 -7.705 1.00 1.44 H new ATOM 0 HD12 ILE A 270 5.895 6.764 -6.829 1.00 1.44 H new ATOM 0 HD13 ILE A 270 7.590 7.297 -6.925 1.00 1.44 H new ATOM 877 N TRP A 276 2.143 6.220 1.495 1.00 0.41 N ATOM 878 CA TRP A 276 2.038 6.214 0.054 1.00 0.33 C ATOM 879 C TRP A 276 0.688 5.683 -0.370 1.00 0.23 C ATOM 880 O TRP A 276 -0.156 5.356 0.469 1.00 0.22 O ATOM 881 CB TRP A 276 3.145 5.373 -0.580 1.00 0.41 C ATOM 882 CG TRP A 276 4.384 5.262 0.256 1.00 0.62 C ATOM 883 CD1 TRP A 276 4.632 4.344 1.231 1.00 0.98 C ATOM 884 CD2 TRP A 276 5.539 6.097 0.193 1.00 0.58 C ATOM 885 NE1 TRP A 276 5.868 4.567 1.781 1.00 1.10 N ATOM 886 CE2 TRP A 276 6.445 5.637 1.158 1.00 0.86 C ATOM 887 CE3 TRP A 276 5.891 7.190 -0.585 1.00 0.52 C ATOM 888 CZ2 TRP A 276 7.684 6.235 1.361 1.00 0.93 C ATOM 889 CZ3 TRP A 276 7.119 7.789 -0.387 1.00 0.69 C ATOM 890 CH2 TRP A 276 8.004 7.309 0.581 1.00 0.82 C ATOM 0 HA TRP A 276 2.148 7.242 -0.292 1.00 0.33 H new ATOM 0 HB2 TRP A 276 2.760 4.372 -0.774 1.00 0.41 H new ATOM 0 HB3 TRP A 276 3.408 5.806 -1.545 1.00 0.41 H new ATOM 0 HD1 TRP A 276 3.955 3.556 1.527 1.00 0.98 H new ATOM 0 HE1 TRP A 276 6.289 4.022 2.534 1.00 1.10 H new ATOM 0 HE3 TRP A 276 5.213 7.568 -1.336 1.00 0.52 H new ATOM 0 HZ2 TRP A 276 8.369 5.863 2.109 1.00 0.93 H new ATOM 0 HZ3 TRP A 276 7.399 8.641 -0.989 1.00 0.69 H new ATOM 0 HH2 TRP A 276 8.959 7.796 0.715 1.00 0.82 H new ATOM 901 N GLU A 277 0.499 5.595 -1.670 1.00 0.19 N ATOM 902 CA GLU A 277 -0.763 5.231 -2.233 1.00 0.16 C ATOM 903 C GLU A 277 -0.687 3.896 -2.875 1.00 0.19 C ATOM 904 O GLU A 277 0.160 3.651 -3.694 1.00 0.48 O ATOM 905 CB GLU A 277 -1.195 6.270 -3.239 1.00 0.15 C ATOM 906 CG GLU A 277 -1.993 7.376 -2.605 1.00 0.23 C ATOM 907 CD GLU A 277 -2.296 8.509 -3.561 1.00 0.27 C ATOM 908 OE1 GLU A 277 -2.442 8.247 -4.774 1.00 1.03 O ATOM 909 OE2 GLU A 277 -2.370 9.671 -3.107 1.00 0.92 O ATOM 0 H GLU A 277 1.227 5.777 -2.361 1.00 0.19 H new ATOM 0 HA GLU A 277 -1.500 5.182 -1.431 1.00 0.16 H new ATOM 0 HB2 GLU A 277 -0.315 6.691 -3.725 1.00 0.15 H new ATOM 0 HB3 GLU A 277 -1.791 5.794 -4.017 1.00 0.15 H new ATOM 0 HG2 GLU A 277 -2.930 6.969 -2.224 1.00 0.23 H new ATOM 0 HG3 GLU A 277 -1.444 7.768 -1.748 1.00 0.23 H new ATOM 916 N GLY A 278 -1.580 3.040 -2.492 1.00 0.39 N ATOM 917 CA GLY A 278 -1.644 1.766 -3.076 1.00 0.34 C ATOM 918 C GLY A 278 -2.719 1.691 -4.118 1.00 0.28 C ATOM 919 O GLY A 278 -3.467 2.647 -4.331 1.00 0.32 O ATOM 0 H GLY A 278 -2.276 3.216 -1.768 1.00 0.39 H new ATOM 0 HA2 GLY A 278 -0.682 1.523 -3.527 1.00 0.34 H new ATOM 0 HA3 GLY A 278 -1.832 1.020 -2.304 1.00 0.34 H new ATOM 923 N GLU A 279 -2.792 0.554 -4.751 1.00 0.22 N ATOM 924 CA GLU A 279 -3.780 0.272 -5.728 1.00 0.18 C ATOM 925 C GLU A 279 -4.008 -1.213 -5.713 1.00 0.13 C ATOM 926 O GLU A 279 -3.110 -2.006 -5.992 1.00 0.14 O ATOM 927 CB GLU A 279 -3.351 0.740 -7.104 1.00 0.25 C ATOM 928 CG GLU A 279 -4.493 0.737 -8.090 1.00 0.27 C ATOM 929 CD GLU A 279 -4.441 -0.422 -9.057 1.00 0.66 C ATOM 930 OE1 GLU A 279 -4.921 -1.515 -8.702 1.00 0.99 O ATOM 931 OE2 GLU A 279 -3.926 -0.243 -10.174 1.00 1.08 O ATOM 0 H GLU A 279 -2.144 -0.217 -4.590 1.00 0.22 H new ATOM 0 HA GLU A 279 -4.701 0.807 -5.496 1.00 0.18 H new ATOM 0 HB2 GLU A 279 -2.939 1.747 -7.031 1.00 0.25 H new ATOM 0 HB3 GLU A 279 -2.553 0.095 -7.473 1.00 0.25 H new ATOM 0 HG2 GLU A 279 -5.436 0.704 -7.544 1.00 0.27 H new ATOM 0 HG3 GLU A 279 -4.482 1.671 -8.652 1.00 0.27 H new ATOM 938 N CYS A 280 -5.176 -1.573 -5.288 1.00 0.10 N ATOM 939 CA CYS A 280 -5.555 -2.937 -5.182 1.00 0.12 C ATOM 940 C CYS A 280 -6.504 -3.314 -6.289 1.00 0.15 C ATOM 941 O CYS A 280 -7.711 -3.175 -6.140 1.00 0.19 O ATOM 942 CB CYS A 280 -6.246 -3.111 -3.860 1.00 0.17 C ATOM 943 SG CYS A 280 -6.653 -1.586 -3.028 1.00 1.52 S ATOM 0 H CYS A 280 -5.901 -0.915 -5.002 1.00 0.10 H new ATOM 0 HA CYS A 280 -4.674 -3.574 -5.258 1.00 0.12 H new ATOM 0 HB2 CYS A 280 -7.162 -3.680 -4.016 1.00 0.17 H new ATOM 0 HB3 CYS A 280 -5.608 -3.707 -3.207 1.00 0.17 H new ATOM 0 HG CYS A 280 -7.800 -1.711 -2.429 1.00 1.52 H new ATOM 949 N ASN A 281 -5.950 -3.787 -7.386 1.00 0.18 N ATOM 950 CA ASN A 281 -6.728 -4.254 -8.532 1.00 0.25 C ATOM 951 C ASN A 281 -7.899 -3.316 -8.843 1.00 0.23 C ATOM 952 O ASN A 281 -8.983 -3.755 -9.223 1.00 0.32 O ATOM 953 CB ASN A 281 -7.222 -5.684 -8.292 1.00 0.33 C ATOM 954 CG ASN A 281 -6.098 -6.641 -7.921 1.00 0.48 C ATOM 955 OD1 ASN A 281 -4.860 -6.296 -8.265 1.00 1.04 O flip ATOM 956 ND2 ASN A 281 -6.336 -7.670 -7.290 1.00 0.69 N flip ATOM 0 H ASN A 281 -4.941 -3.862 -7.516 1.00 0.18 H new ATOM 0 HA ASN A 281 -6.073 -4.252 -9.403 1.00 0.25 H new ATOM 0 HB2 ASN A 281 -7.966 -5.678 -7.495 1.00 0.33 H new ATOM 0 HB3 ASN A 281 -7.721 -6.047 -9.191 1.00 0.33 H new ATOM 0 HD21 ASN A 281 -7.297 -7.905 -7.042 1.00 0.69 H new ATOM 0 HD22 ASN A 281 -5.572 -8.288 -7.015 1.00 0.69 H new ATOM 963 N GLY A 282 -7.649 -2.019 -8.707 1.00 0.17 N ATOM 964 CA GLY A 282 -8.617 -1.020 -9.081 1.00 0.18 C ATOM 965 C GLY A 282 -9.223 -0.293 -7.900 1.00 0.16 C ATOM 966 O GLY A 282 -10.230 0.397 -8.040 1.00 0.28 O ATOM 0 H GLY A 282 -6.776 -1.643 -8.337 1.00 0.17 H new ATOM 0 HA2 GLY A 282 -8.141 -0.293 -9.739 1.00 0.18 H new ATOM 0 HA3 GLY A 282 -9.414 -1.494 -9.653 1.00 0.18 H new ATOM 970 N LYS A 283 -8.618 -0.441 -6.732 1.00 0.10 N ATOM 971 CA LYS A 283 -8.820 0.524 -5.668 1.00 0.10 C ATOM 972 C LYS A 283 -7.526 1.243 -5.439 1.00 0.09 C ATOM 973 O LYS A 283 -6.470 0.654 -5.578 1.00 0.12 O ATOM 974 CB LYS A 283 -9.243 -0.068 -4.327 1.00 0.11 C ATOM 975 CG LYS A 283 -10.432 -1.008 -4.383 1.00 0.15 C ATOM 976 CD LYS A 283 -10.079 -2.412 -4.819 1.00 0.14 C ATOM 977 CE LYS A 283 -11.280 -3.319 -4.726 1.00 0.24 C ATOM 978 NZ LYS A 283 -11.068 -4.614 -5.420 1.00 0.38 N ATOM 0 H LYS A 283 -7.991 -1.211 -6.500 1.00 0.10 H new ATOM 0 HA LYS A 283 -9.634 1.167 -6.003 1.00 0.10 H new ATOM 0 HB2 LYS A 283 -8.395 -0.605 -3.901 1.00 0.11 H new ATOM 0 HB3 LYS A 283 -9.478 0.749 -3.645 1.00 0.11 H new ATOM 0 HG2 LYS A 283 -10.897 -1.049 -3.398 1.00 0.15 H new ATOM 0 HG3 LYS A 283 -11.174 -0.600 -5.069 1.00 0.15 H new ATOM 0 HD2 LYS A 283 -9.707 -2.397 -5.844 1.00 0.14 H new ATOM 0 HD3 LYS A 283 -9.275 -2.800 -4.194 1.00 0.14 H new ATOM 0 HE2 LYS A 283 -11.510 -3.506 -3.677 1.00 0.24 H new ATOM 0 HE3 LYS A 283 -12.145 -2.816 -5.158 1.00 0.24 H new ATOM 0 HZ1 LYS A 283 -11.921 -5.201 -5.327 1.00 0.38 H new ATOM 0 HZ2 LYS A 283 -10.875 -4.441 -6.427 1.00 0.38 H new ATOM 0 HZ3 LYS A 283 -10.259 -5.109 -4.992 1.00 0.38 H new ATOM 992 N ARG A 284 -7.612 2.493 -5.069 1.00 0.07 N ATOM 993 CA ARG A 284 -6.442 3.277 -4.784 1.00 0.09 C ATOM 994 C ARG A 284 -6.663 4.116 -3.564 1.00 0.11 C ATOM 995 O ARG A 284 -7.795 4.456 -3.233 1.00 0.13 O ATOM 996 CB ARG A 284 -6.087 4.173 -5.936 1.00 0.11 C ATOM 997 CG ARG A 284 -5.894 3.401 -7.201 1.00 0.20 C ATOM 998 CD ARG A 284 -4.940 4.125 -8.116 1.00 0.35 C ATOM 999 NE ARG A 284 -4.980 3.637 -9.494 1.00 0.68 N ATOM 1000 CZ ARG A 284 -4.457 4.302 -10.522 1.00 1.10 C ATOM 1001 NH1 ARG A 284 -3.933 5.508 -10.339 1.00 1.42 N ATOM 1002 NH2 ARG A 284 -4.476 3.769 -11.738 1.00 1.46 N ATOM 0 H ARG A 284 -8.493 2.995 -4.957 1.00 0.07 H new ATOM 0 HA ARG A 284 -5.619 2.583 -4.613 1.00 0.09 H new ATOM 0 HB2 ARG A 284 -6.876 4.912 -6.078 1.00 0.11 H new ATOM 0 HB3 ARG A 284 -5.175 4.721 -5.702 1.00 0.11 H new ATOM 0 HG2 ARG A 284 -5.507 2.408 -6.973 1.00 0.20 H new ATOM 0 HG3 ARG A 284 -6.853 3.263 -7.700 1.00 0.20 H new ATOM 0 HD2 ARG A 284 -5.176 5.189 -8.107 1.00 0.35 H new ATOM 0 HD3 ARG A 284 -3.926 4.020 -7.730 1.00 0.35 H new ATOM 0 HE ARG A 284 -5.432 2.741 -9.677 1.00 0.68 H new ATOM 0 HH11 ARG A 284 -3.930 5.927 -9.409 1.00 1.42 H new ATOM 0 HH12 ARG A 284 -3.533 6.015 -11.128 1.00 1.42 H new ATOM 0 HH21 ARG A 284 -4.892 2.849 -11.885 1.00 1.46 H new ATOM 0 HH22 ARG A 284 -4.075 4.279 -12.525 1.00 1.46 H new ATOM 1016 N GLY A 285 -5.584 4.475 -2.923 1.00 0.13 N ATOM 1017 CA GLY A 285 -5.690 5.163 -1.676 1.00 0.14 C ATOM 1018 C GLY A 285 -4.389 5.211 -0.946 1.00 0.15 C ATOM 1019 O GLY A 285 -3.412 4.730 -1.448 1.00 0.24 O ATOM 0 H GLY A 285 -4.631 4.302 -3.244 1.00 0.13 H new ATOM 0 HA2 GLY A 285 -6.043 6.179 -1.852 1.00 0.14 H new ATOM 0 HA3 GLY A 285 -6.436 4.670 -1.053 1.00 0.14 H new ATOM 1023 N HIS A 286 -4.360 5.776 0.240 1.00 0.11 N ATOM 1024 CA HIS A 286 -3.125 5.895 0.968 1.00 0.12 C ATOM 1025 C HIS A 286 -3.271 5.391 2.364 1.00 0.12 C ATOM 1026 O HIS A 286 -4.214 5.739 3.070 1.00 0.15 O ATOM 1027 CB HIS A 286 -2.631 7.337 0.981 1.00 0.14 C ATOM 1028 CG HIS A 286 -3.718 8.371 0.999 1.00 0.15 C ATOM 1029 ND1 HIS A 286 -4.642 8.496 2.020 1.00 0.21 N ATOM 1030 CD2 HIS A 286 -4.030 9.319 0.092 1.00 0.19 C ATOM 1031 CE1 HIS A 286 -5.478 9.478 1.732 1.00 0.25 C ATOM 1032 NE2 HIS A 286 -5.125 9.995 0.570 1.00 0.23 N ATOM 0 H HIS A 286 -5.177 6.158 0.717 1.00 0.11 H new ATOM 0 HA HIS A 286 -2.385 5.280 0.455 1.00 0.12 H new ATOM 0 HB2 HIS A 286 -1.996 7.482 1.855 1.00 0.14 H new ATOM 0 HB3 HIS A 286 -2.007 7.501 0.103 1.00 0.14 H new ATOM 0 HD1 HIS A 286 -4.673 7.921 2.862 1.00 0.21 H new ATOM 0 HD2 HIS A 286 -3.514 9.511 -0.837 1.00 0.19 H new ATOM 0 HE1 HIS A 286 -6.308 9.802 2.343 1.00 0.25 H new ATOM 0 HE2 HIS A 286 -5.591 10.772 0.102 1.00 0.23 H new ATOM 1041 N PHE A 287 -2.287 4.611 2.753 1.00 0.10 N ATOM 1042 CA PHE A 287 -2.352 3.834 3.975 1.00 0.11 C ATOM 1043 C PHE A 287 -0.969 3.306 4.334 1.00 0.15 C ATOM 1044 O PHE A 287 -0.221 2.870 3.458 1.00 0.23 O ATOM 1045 CB PHE A 287 -3.276 2.619 3.816 1.00 0.12 C ATOM 1046 CG PHE A 287 -4.771 2.855 3.864 1.00 0.10 C ATOM 1047 CD1 PHE A 287 -5.362 3.740 4.758 1.00 0.12 C ATOM 1048 CD2 PHE A 287 -5.587 2.154 2.999 1.00 0.09 C ATOM 1049 CE1 PHE A 287 -6.733 3.916 4.774 1.00 0.13 C ATOM 1050 CE2 PHE A 287 -6.953 2.321 3.010 1.00 0.09 C ATOM 1051 CZ PHE A 287 -7.529 3.205 3.898 1.00 0.12 C ATOM 0 H PHE A 287 -1.418 4.496 2.232 1.00 0.10 H new ATOM 0 HA PHE A 287 -2.736 4.493 4.753 1.00 0.11 H new ATOM 0 HB2 PHE A 287 -3.043 2.144 2.863 1.00 0.12 H new ATOM 0 HB3 PHE A 287 -3.025 1.903 4.599 1.00 0.12 H new ATOM 0 HD1 PHE A 287 -4.744 4.296 5.447 1.00 0.12 H new ATOM 0 HD2 PHE A 287 -5.144 1.460 2.299 1.00 0.09 H new ATOM 0 HE1 PHE A 287 -7.181 4.609 5.471 1.00 0.13 H new ATOM 0 HE2 PHE A 287 -7.572 1.761 2.325 1.00 0.09 H new ATOM 0 HZ PHE A 287 -8.600 3.341 3.908 1.00 0.12 H new ATOM 1061 N PRO A 288 -0.603 3.362 5.617 1.00 0.17 N ATOM 1062 CA PRO A 288 0.591 2.704 6.148 1.00 0.23 C ATOM 1063 C PRO A 288 0.671 1.219 5.807 1.00 0.18 C ATOM 1064 O PRO A 288 -0.339 0.549 5.583 1.00 0.16 O ATOM 1065 CB PRO A 288 0.454 2.892 7.667 1.00 0.35 C ATOM 1066 CG PRO A 288 -0.954 3.329 7.873 1.00 0.33 C ATOM 1067 CD PRO A 288 -1.262 4.141 6.661 1.00 0.23 C ATOM 0 HA PRO A 288 1.498 3.131 5.720 1.00 0.23 H new ATOM 0 HB2 PRO A 288 0.662 1.964 8.200 1.00 0.35 H new ATOM 0 HB3 PRO A 288 1.157 3.637 8.038 1.00 0.35 H new ATOM 0 HG2 PRO A 288 -1.627 2.476 7.964 1.00 0.33 H new ATOM 0 HG3 PRO A 288 -1.060 3.917 8.785 1.00 0.33 H new ATOM 0 HD2 PRO A 288 -2.335 4.233 6.490 1.00 0.23 H new ATOM 0 HD3 PRO A 288 -0.863 5.153 6.732 1.00 0.23 H new ATOM 1075 N PHE A 289 1.895 0.723 5.754 1.00 0.23 N ATOM 1076 CA PHE A 289 2.151 -0.700 5.539 1.00 0.26 C ATOM 1077 C PHE A 289 1.867 -1.504 6.799 1.00 0.23 C ATOM 1078 O PHE A 289 1.835 -2.732 6.748 1.00 0.26 O ATOM 1079 CB PHE A 289 3.597 -0.923 5.067 1.00 0.38 C ATOM 1080 CG PHE A 289 4.250 -2.189 5.571 1.00 0.29 C ATOM 1081 CD1 PHE A 289 4.687 -2.288 6.865 1.00 0.32 C ATOM 1082 CD2 PHE A 289 4.420 -3.265 4.738 1.00 0.26 C ATOM 1083 CE1 PHE A 289 5.289 -3.445 7.328 1.00 0.31 C ATOM 1084 CE2 PHE A 289 5.016 -4.425 5.180 1.00 0.26 C ATOM 1085 CZ PHE A 289 5.446 -4.509 6.510 1.00 0.26 C ATOM 0 H PHE A 289 2.738 1.287 5.858 1.00 0.23 H new ATOM 0 HA PHE A 289 1.475 -1.050 4.759 1.00 0.26 H new ATOM 0 HB2 PHE A 289 3.609 -0.936 3.977 1.00 0.38 H new ATOM 0 HB3 PHE A 289 4.200 -0.072 5.382 1.00 0.38 H new ATOM 0 HD1 PHE A 289 4.560 -1.450 7.535 1.00 0.32 H new ATOM 0 HD2 PHE A 289 4.080 -3.201 3.715 1.00 0.26 H new ATOM 0 HE1 PHE A 289 5.635 -3.498 8.350 1.00 0.31 H new ATOM 0 HE2 PHE A 289 5.150 -5.260 4.509 1.00 0.26 H new ATOM 0 HZ PHE A 289 5.900 -5.417 6.879 1.00 0.26 H new ATOM 1095 N THR A 290 1.636 -0.798 7.907 1.00 0.24 N ATOM 1096 CA THR A 290 1.507 -1.377 9.248 1.00 0.27 C ATOM 1097 C THR A 290 0.476 -2.508 9.343 1.00 0.23 C ATOM 1098 O THR A 290 0.233 -3.048 10.419 1.00 0.28 O ATOM 1099 CB THR A 290 1.129 -0.273 10.245 1.00 0.36 C ATOM 1100 OG1 THR A 290 0.085 0.536 9.688 1.00 0.62 O ATOM 1101 CG2 THR A 290 2.332 0.597 10.578 1.00 0.44 C ATOM 0 H THR A 290 1.531 0.217 7.898 1.00 0.24 H new ATOM 0 HA THR A 290 2.476 -1.816 9.485 1.00 0.27 H new ATOM 0 HB THR A 290 0.782 -0.742 11.166 1.00 0.36 H new ATOM 0 HG1 THR A 290 -0.158 1.240 10.325 1.00 0.62 H new ATOM 0 HG21 THR A 290 2.036 1.371 11.286 1.00 0.44 H new ATOM 0 HG22 THR A 290 3.115 -0.019 11.020 1.00 0.44 H new ATOM 0 HG23 THR A 290 2.707 1.063 9.667 1.00 0.44 H new ATOM 1109 N HIS A 291 -0.114 -2.863 8.220 1.00 0.17 N ATOM 1110 CA HIS A 291 -1.164 -3.844 8.188 1.00 0.16 C ATOM 1111 C HIS A 291 -1.224 -4.476 6.816 1.00 0.14 C ATOM 1112 O HIS A 291 -2.305 -4.640 6.241 1.00 0.13 O ATOM 1113 CB HIS A 291 -2.522 -3.245 8.570 1.00 0.20 C ATOM 1114 CG HIS A 291 -2.745 -1.812 8.179 1.00 0.30 C ATOM 1115 ND1 HIS A 291 -3.275 -0.777 8.875 1.00 0.40 N flip ATOM 1116 CD2 HIS A 291 -2.492 -1.328 6.918 1.00 0.94 C flip ATOM 1117 CE1 HIS A 291 -3.346 0.301 8.022 1.00 0.19 C flip ATOM 1118 NE2 HIS A 291 -2.864 -0.062 6.852 1.00 0.77 N flip ATOM 0 H HIS A 291 0.125 -2.476 7.307 1.00 0.17 H new ATOM 0 HA HIS A 291 -0.936 -4.609 8.930 1.00 0.16 H new ATOM 0 HB2 HIS A 291 -3.305 -3.851 8.114 1.00 0.20 H new ATOM 0 HB3 HIS A 291 -2.642 -3.329 9.650 1.00 0.20 H new ATOM 0 HD1 HIS A 291 -3.568 -0.794 9.852 1.00 0.40 H new ATOM 0 HD2 HIS A 291 -2.057 -1.894 6.108 1.00 0.94 H new ATOM 0 HE1 HIS A 291 -3.732 1.279 8.270 1.00 0.19 H new ATOM 1127 N VAL A 292 -0.054 -4.786 6.260 1.00 0.16 N ATOM 1128 CA VAL A 292 0.009 -5.540 5.020 1.00 0.15 C ATOM 1129 C VAL A 292 1.146 -6.564 5.082 1.00 0.19 C ATOM 1130 O VAL A 292 2.140 -6.367 5.782 1.00 0.22 O ATOM 1131 CB VAL A 292 0.199 -4.600 3.796 1.00 0.14 C ATOM 1132 CG1 VAL A 292 -0.680 -3.377 3.904 1.00 0.17 C ATOM 1133 CG2 VAL A 292 1.627 -4.156 3.677 1.00 0.31 C ATOM 0 H VAL A 292 0.853 -4.527 6.648 1.00 0.16 H new ATOM 0 HA VAL A 292 -0.938 -6.065 4.897 1.00 0.15 H new ATOM 0 HB VAL A 292 -0.082 -5.170 2.910 1.00 0.14 H new ATOM 0 HG11 VAL A 292 -0.525 -2.739 3.034 1.00 0.17 H new ATOM 0 HG12 VAL A 292 -1.725 -3.683 3.948 1.00 0.17 H new ATOM 0 HG13 VAL A 292 -0.425 -2.825 4.809 1.00 0.17 H new ATOM 0 HG21 VAL A 292 1.733 -3.500 2.813 1.00 0.31 H new ATOM 0 HG22 VAL A 292 1.917 -3.618 4.579 1.00 0.31 H new ATOM 0 HG23 VAL A 292 2.270 -5.027 3.552 1.00 0.31 H new ATOM 1143 N ARG A 293 0.964 -7.670 4.376 1.00 0.22 N ATOM 1144 CA ARG A 293 1.937 -8.751 4.335 1.00 0.21 C ATOM 1145 C ARG A 293 2.347 -8.989 2.909 1.00 0.32 C ATOM 1146 O ARG A 293 1.658 -9.694 2.191 1.00 0.70 O ATOM 1147 CB ARG A 293 1.265 -10.022 4.788 1.00 0.19 C ATOM 1148 CG ARG A 293 0.252 -9.834 5.895 1.00 0.17 C ATOM 1149 CD ARG A 293 -0.630 -11.052 6.002 1.00 0.26 C ATOM 1150 NE ARG A 293 0.138 -12.292 5.890 1.00 0.27 N ATOM 1151 CZ ARG A 293 -0.347 -13.435 5.402 1.00 0.52 C ATOM 1152 NH1 ARG A 293 -1.634 -13.544 5.103 1.00 1.09 N ATOM 1153 NH2 ARG A 293 0.456 -14.478 5.237 1.00 0.60 N ATOM 0 H ARG A 293 0.132 -7.844 3.812 1.00 0.22 H new ATOM 0 HA ARG A 293 2.789 -8.489 4.963 1.00 0.21 H new ATOM 0 HB2 ARG A 293 0.769 -10.481 3.933 1.00 0.19 H new ATOM 0 HB3 ARG A 293 2.029 -10.722 5.127 1.00 0.19 H new ATOM 0 HG2 ARG A 293 0.764 -9.662 6.842 1.00 0.17 H new ATOM 0 HG3 ARG A 293 -0.356 -8.951 5.696 1.00 0.17 H new ATOM 0 HD2 ARG A 293 -1.157 -11.036 6.956 1.00 0.26 H new ATOM 0 HD3 ARG A 293 -1.387 -11.022 5.219 1.00 0.26 H new ATOM 0 HE ARG A 293 1.108 -12.282 6.206 1.00 0.27 H new ATOM 0 HH11 ARG A 293 -2.260 -12.751 5.246 1.00 1.09 H new ATOM 0 HH12 ARG A 293 -1.998 -14.421 4.730 1.00 1.09 H new ATOM 0 HH21 ARG A 293 1.443 -14.406 5.483 1.00 0.60 H new ATOM 0 HH22 ARG A 293 0.086 -15.352 4.864 1.00 0.60 H new ATOM 1167 N LEU A 294 3.489 -8.514 2.516 1.00 0.18 N ATOM 1168 CA LEU A 294 3.712 -8.340 1.100 1.00 0.18 C ATOM 1169 C LEU A 294 3.849 -9.627 0.289 1.00 0.21 C ATOM 1170 O LEU A 294 3.971 -10.734 0.816 1.00 0.30 O ATOM 1171 CB LEU A 294 4.903 -7.465 0.794 1.00 0.22 C ATOM 1172 CG LEU A 294 5.345 -6.488 1.875 1.00 0.30 C ATOM 1173 CD1 LEU A 294 6.565 -5.732 1.409 1.00 0.66 C ATOM 1174 CD2 LEU A 294 4.238 -5.516 2.228 1.00 0.58 C ATOM 0 H LEU A 294 4.262 -8.246 3.125 1.00 0.18 H new ATOM 0 HA LEU A 294 2.790 -7.852 0.786 1.00 0.18 H new ATOM 0 HB2 LEU A 294 5.747 -8.113 0.559 1.00 0.22 H new ATOM 0 HB3 LEU A 294 4.680 -6.894 -0.107 1.00 0.22 H new ATOM 0 HG LEU A 294 5.587 -7.059 2.771 1.00 0.30 H new ATOM 0 HD11 LEU A 294 6.879 -5.034 2.185 1.00 0.66 H new ATOM 0 HD12 LEU A 294 7.373 -6.435 1.205 1.00 0.66 H new ATOM 0 HD13 LEU A 294 6.326 -5.181 0.500 1.00 0.66 H new ATOM 0 HD21 LEU A 294 4.587 -4.833 3.002 1.00 0.58 H new ATOM 0 HD22 LEU A 294 3.957 -4.947 1.342 1.00 0.58 H new ATOM 0 HD23 LEU A 294 3.372 -6.068 2.594 1.00 0.58 H new ATOM 1186 N LEU A 295 3.849 -9.421 -1.028 1.00 0.20 N ATOM 1187 CA LEU A 295 3.867 -10.459 -2.013 1.00 0.22 C ATOM 1188 C LEU A 295 4.888 -10.145 -3.105 1.00 0.28 C ATOM 1189 O LEU A 295 5.701 -9.230 -2.972 1.00 0.31 O ATOM 1190 CB LEU A 295 2.504 -10.510 -2.658 1.00 0.23 C ATOM 1191 CG LEU A 295 1.770 -11.831 -2.558 1.00 0.25 C ATOM 1192 CD1 LEU A 295 1.160 -11.937 -1.183 1.00 0.29 C ATOM 1193 CD2 LEU A 295 0.709 -11.943 -3.643 1.00 0.28 C ATOM 0 H LEU A 295 3.836 -8.486 -1.435 1.00 0.20 H new ATOM 0 HA LEU A 295 4.128 -11.403 -1.535 1.00 0.22 H new ATOM 0 HB2 LEU A 295 1.882 -9.737 -2.208 1.00 0.23 H new ATOM 0 HB3 LEU A 295 2.613 -10.257 -3.713 1.00 0.23 H new ATOM 0 HG LEU A 295 2.468 -12.655 -2.708 1.00 0.25 H new ATOM 0 HD11 LEU A 295 0.627 -12.883 -1.093 1.00 0.29 H new ATOM 0 HD12 LEU A 295 1.948 -11.892 -0.431 1.00 0.29 H new ATOM 0 HD13 LEU A 295 0.464 -11.113 -1.029 1.00 0.29 H new ATOM 0 HD21 LEU A 295 0.195 -12.900 -3.552 1.00 0.28 H new ATOM 0 HD22 LEU A 295 -0.011 -11.132 -3.533 1.00 0.28 H new ATOM 0 HD23 LEU A 295 1.182 -11.878 -4.623 1.00 0.28 H new ATOM 1205 N ASP A 296 4.783 -10.869 -4.211 1.00 0.39 N ATOM 1206 CA ASP A 296 5.688 -10.725 -5.332 1.00 0.50 C ATOM 1207 C ASP A 296 5.073 -9.874 -6.444 1.00 0.73 C ATOM 1208 O ASP A 296 4.649 -10.385 -7.473 1.00 1.81 O ATOM 1209 CB ASP A 296 6.096 -12.107 -5.854 1.00 0.84 C ATOM 1210 CG ASP A 296 4.913 -12.992 -6.212 1.00 1.76 C ATOM 1211 OD1 ASP A 296 4.155 -13.389 -5.300 1.00 2.44 O ATOM 1212 OD2 ASP A 296 4.725 -13.281 -7.414 1.00 2.42 O ATOM 0 H ASP A 296 4.061 -11.576 -4.352 1.00 0.39 H new ATOM 0 HA ASP A 296 6.581 -10.203 -4.988 1.00 0.50 H new ATOM 0 HB2 ASP A 296 6.727 -11.983 -6.734 1.00 0.84 H new ATOM 0 HB3 ASP A 296 6.700 -12.609 -5.098 1.00 0.84 H new ATOM 1217 N GLN A 297 5.026 -8.567 -6.181 1.00 0.53 N ATOM 1218 CA GLN A 297 4.679 -7.523 -7.175 1.00 0.41 C ATOM 1219 C GLN A 297 3.473 -7.864 -8.052 1.00 0.64 C ATOM 1220 O GLN A 297 2.358 -7.432 -7.704 1.00 1.25 O ATOM 1221 CB GLN A 297 5.897 -7.183 -8.045 1.00 0.51 C ATOM 1222 CG GLN A 297 7.058 -8.158 -7.924 1.00 0.88 C ATOM 1223 CD GLN A 297 8.307 -7.661 -8.614 1.00 0.87 C ATOM 1224 OE1 GLN A 297 8.526 -6.360 -8.548 1.00 1.02 O flip ATOM 1225 NE2 GLN A 297 9.086 -8.442 -9.161 1.00 1.02 N flip ATOM 1226 OXT GLN A 297 3.651 -8.493 -9.112 1.00 1.41 O ATOM 0 H GLN A 297 5.230 -8.187 -5.257 1.00 0.53 H new ATOM 0 HA GLN A 297 4.383 -6.650 -6.594 1.00 0.41 H new ATOM 0 HB2 GLN A 297 5.582 -7.143 -9.088 1.00 0.51 H new ATOM 0 HB3 GLN A 297 6.249 -6.186 -7.780 1.00 0.51 H new ATOM 0 HG2 GLN A 297 7.274 -8.331 -6.870 1.00 0.88 H new ATOM 0 HG3 GLN A 297 6.768 -9.118 -8.352 1.00 0.88 H new ATOM 0 HE21 GLN A 297 8.874 -9.439 -9.187 1.00 1.02 H new ATOM 0 HE22 GLN A 297 9.943 -8.092 -9.588 1.00 1.02 H new