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 290 THR OG1 : rot 69:sc= -0.468 USER MOD Set 1.2: A 291 HIS :FLIP no HE2:sc= -0.816 F(o=-2.1,f=-1.3) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 250 ASN : amide:sc= -1.49 K(o=-1.5,f=-8.3!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ -170:sc= 0.588 (180deg=0.435) USER MOD Single : A 255 THR OG1 : rot 8:sc= 1.16 USER MOD Single : A 266 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 268 THR OG1 : rot 2:sc= 0.291! USER MOD Single : A 269 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 280 CYS SG : rot -45:sc= -20.6! USER MOD Single : A 281 ASN :FLIP amide:sc= -0.0367 F(o=-0.92,f=-0.037) USER MOD Single : A 283 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 HIS : no HD1:sc= -0.277 K(o=-0.28,f=-3.1!) USER MOD Single : A 297 GLN :FLIP amide:sc= -0.19 F(o=-1.8!,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 262 N PRO A 238 6.149 -2.007 -8.207 1.00 0.40 N ATOM 263 CA PRO A 238 5.136 -2.138 -7.151 1.00 0.28 C ATOM 264 C PRO A 238 4.964 -3.502 -6.641 1.00 0.28 C ATOM 265 O PRO A 238 4.615 -4.447 -7.342 1.00 0.41 O ATOM 266 CB PRO A 238 3.858 -1.640 -7.784 1.00 0.25 C ATOM 267 CG PRO A 238 4.322 -0.699 -8.805 1.00 0.59 C ATOM 268 CD PRO A 238 5.588 -1.297 -9.358 1.00 0.43 C ATOM 0 HA PRO A 238 5.441 -1.569 -6.272 1.00 0.28 H new ATOM 0 HB2 PRO A 238 3.284 -2.456 -8.223 1.00 0.25 H new ATOM 0 HB3 PRO A 238 3.212 -1.152 -7.053 1.00 0.25 H new ATOM 0 HG2 PRO A 238 3.575 -0.569 -9.588 1.00 0.59 H new ATOM 0 HG3 PRO A 238 4.508 0.286 -8.376 1.00 0.59 H new ATOM 0 HD2 PRO A 238 5.385 -1.973 -10.189 1.00 0.43 H new ATOM 0 HD3 PRO A 238 6.268 -0.530 -9.729 1.00 0.43 H new ATOM 276 N PHE A 239 5.201 -3.537 -5.378 1.00 0.24 N ATOM 277 CA PHE A 239 5.182 -4.743 -4.636 1.00 0.26 C ATOM 278 C PHE A 239 3.747 -5.118 -4.369 1.00 0.22 C ATOM 279 O PHE A 239 2.879 -4.249 -4.328 1.00 0.26 O ATOM 280 CB PHE A 239 5.943 -4.569 -3.313 1.00 0.38 C ATOM 281 CG PHE A 239 7.417 -4.916 -3.329 1.00 0.48 C ATOM 282 CD1 PHE A 239 8.035 -5.381 -4.470 1.00 0.56 C ATOM 283 CD2 PHE A 239 8.172 -4.806 -2.171 1.00 0.66 C ATOM 284 CE1 PHE A 239 9.370 -5.730 -4.468 1.00 0.71 C ATOM 285 CE2 PHE A 239 9.512 -5.146 -2.159 1.00 0.79 C ATOM 286 CZ PHE A 239 10.111 -5.613 -3.311 1.00 0.78 C ATOM 0 H PHE A 239 5.418 -2.710 -4.822 1.00 0.24 H new ATOM 0 HA PHE A 239 5.672 -5.534 -5.204 1.00 0.26 H new ATOM 0 HB2 PHE A 239 5.840 -3.532 -2.995 1.00 0.38 H new ATOM 0 HB3 PHE A 239 5.456 -5.184 -2.556 1.00 0.38 H new ATOM 0 HD1 PHE A 239 7.464 -5.474 -5.382 1.00 0.56 H new ATOM 0 HD2 PHE A 239 7.706 -4.449 -1.264 1.00 0.66 H new ATOM 0 HE1 PHE A 239 9.834 -6.095 -5.372 1.00 0.71 H new ATOM 0 HE2 PHE A 239 10.088 -5.046 -1.251 1.00 0.79 H new ATOM 0 HZ PHE A 239 11.156 -5.886 -3.306 1.00 0.78 H new ATOM 296 N TYR A 240 3.485 -6.388 -4.186 1.00 0.22 N ATOM 297 CA TYR A 240 2.175 -6.799 -3.834 1.00 0.21 C ATOM 298 C TYR A 240 2.188 -6.898 -2.349 1.00 0.19 C ATOM 299 O TYR A 240 3.254 -7.034 -1.764 1.00 0.23 O ATOM 300 CB TYR A 240 1.822 -8.131 -4.488 1.00 0.24 C ATOM 301 CG TYR A 240 1.176 -7.993 -5.843 1.00 0.36 C ATOM 302 CD1 TYR A 240 0.164 -7.073 -6.050 1.00 0.43 C ATOM 303 CD2 TYR A 240 1.555 -8.802 -6.907 1.00 0.64 C ATOM 304 CE1 TYR A 240 -0.451 -6.951 -7.272 1.00 0.57 C ATOM 305 CE2 TYR A 240 0.946 -8.684 -8.140 1.00 0.79 C ATOM 306 CZ TYR A 240 -0.060 -7.757 -8.317 1.00 0.69 C ATOM 307 OH TYR A 240 -0.670 -7.631 -9.545 1.00 0.88 O ATOM 0 H TYR A 240 4.166 -7.142 -4.277 1.00 0.22 H new ATOM 0 HA TYR A 240 1.417 -6.097 -4.181 1.00 0.21 H new ATOM 0 HB2 TYR A 240 2.729 -8.727 -4.588 1.00 0.24 H new ATOM 0 HB3 TYR A 240 1.149 -8.681 -3.830 1.00 0.24 H new ATOM 0 HD1 TYR A 240 -0.149 -6.438 -5.234 1.00 0.43 H new ATOM 0 HD2 TYR A 240 2.337 -9.534 -6.767 1.00 0.64 H new ATOM 0 HE1 TYR A 240 -1.238 -6.225 -7.412 1.00 0.57 H new ATOM 0 HE2 TYR A 240 1.255 -9.314 -8.961 1.00 0.79 H new ATOM 0 HH TYR A 240 -0.277 -8.272 -10.173 1.00 0.88 H new ATOM 317 N ALA A 241 1.067 -6.750 -1.722 1.00 0.14 N ATOM 318 CA ALA A 241 1.040 -6.892 -0.310 1.00 0.15 C ATOM 319 C ALA A 241 -0.286 -7.379 0.180 1.00 0.11 C ATOM 320 O ALA A 241 -1.319 -6.801 -0.112 1.00 0.12 O ATOM 321 CB ALA A 241 1.435 -5.588 0.357 1.00 0.24 C ATOM 0 H ALA A 241 0.172 -6.534 -2.160 1.00 0.14 H new ATOM 0 HA ALA A 241 1.770 -7.654 -0.037 1.00 0.15 H new ATOM 0 HB1 ALA A 241 1.410 -5.711 1.440 1.00 0.24 H new ATOM 0 HB2 ALA A 241 2.442 -5.311 0.046 1.00 0.24 H new ATOM 0 HB3 ALA A 241 0.737 -4.804 0.065 1.00 0.24 H new ATOM 327 N ARG A 242 -0.259 -8.439 0.954 1.00 0.10 N ATOM 328 CA ARG A 242 -1.466 -9.014 1.432 1.00 0.08 C ATOM 329 C ARG A 242 -1.959 -8.174 2.587 1.00 0.08 C ATOM 330 O ARG A 242 -1.419 -8.233 3.689 1.00 0.11 O ATOM 331 CB ARG A 242 -1.199 -10.435 1.875 1.00 0.10 C ATOM 332 CG ARG A 242 -2.369 -11.116 2.578 1.00 0.10 C ATOM 333 CD ARG A 242 -3.457 -11.548 1.615 1.00 0.11 C ATOM 334 NE ARG A 242 -2.965 -12.395 0.528 1.00 0.18 N ATOM 335 CZ ARG A 242 -3.696 -12.727 -0.536 1.00 0.35 C ATOM 336 NH1 ARG A 242 -4.963 -12.329 -0.621 1.00 0.51 N ATOM 337 NH2 ARG A 242 -3.172 -13.477 -1.497 1.00 0.43 N ATOM 0 H ARG A 242 0.592 -8.911 1.259 1.00 0.10 H new ATOM 0 HA ARG A 242 -2.225 -9.037 0.650 1.00 0.08 H new ATOM 0 HB2 ARG A 242 -0.923 -11.027 1.002 1.00 0.10 H new ATOM 0 HB3 ARG A 242 -0.340 -10.436 2.546 1.00 0.10 H new ATOM 0 HG2 ARG A 242 -2.004 -11.987 3.122 1.00 0.10 H new ATOM 0 HG3 ARG A 242 -2.792 -10.434 3.315 1.00 0.10 H new ATOM 0 HD2 ARG A 242 -4.227 -12.087 2.166 1.00 0.11 H new ATOM 0 HD3 ARG A 242 -3.930 -10.662 1.191 1.00 0.11 H new ATOM 0 HE ARG A 242 -2.011 -12.751 0.588 1.00 0.18 H new ATOM 0 HH11 ARG A 242 -5.373 -11.771 0.127 1.00 0.51 H new ATOM 0 HH12 ARG A 242 -5.524 -12.582 -1.435 1.00 0.51 H new ATOM 0 HH21 ARG A 242 -2.208 -13.801 -1.423 1.00 0.43 H new ATOM 0 HH22 ARG A 242 -3.734 -13.730 -2.310 1.00 0.43 H new ATOM 351 N VAL A 243 -2.955 -7.366 2.317 1.00 0.07 N ATOM 352 CA VAL A 243 -3.508 -6.498 3.308 1.00 0.08 C ATOM 353 C VAL A 243 -4.072 -7.336 4.434 1.00 0.11 C ATOM 354 O VAL A 243 -4.613 -8.404 4.198 1.00 0.14 O ATOM 355 CB VAL A 243 -4.601 -5.603 2.693 1.00 0.10 C ATOM 356 CG1 VAL A 243 -5.686 -6.423 2.048 1.00 0.14 C ATOM 357 CG2 VAL A 243 -5.203 -4.735 3.752 1.00 0.18 C ATOM 0 H VAL A 243 -3.400 -7.297 1.402 1.00 0.07 H new ATOM 0 HA VAL A 243 -2.727 -5.846 3.699 1.00 0.08 H new ATOM 0 HB VAL A 243 -4.133 -4.986 1.926 1.00 0.10 H new ATOM 0 HG11 VAL A 243 -6.440 -5.760 1.625 1.00 0.14 H new ATOM 0 HG12 VAL A 243 -5.256 -7.036 1.256 1.00 0.14 H new ATOM 0 HG13 VAL A 243 -6.148 -7.067 2.796 1.00 0.14 H new ATOM 0 HG21 VAL A 243 -5.975 -4.105 3.310 1.00 0.18 H new ATOM 0 HG22 VAL A 243 -5.645 -5.361 4.527 1.00 0.18 H new ATOM 0 HG23 VAL A 243 -4.428 -4.106 4.191 1.00 0.18 H new ATOM 367 N ILE A 244 -3.910 -6.882 5.656 1.00 0.12 N ATOM 368 CA ILE A 244 -4.399 -7.659 6.785 1.00 0.16 C ATOM 369 C ILE A 244 -5.267 -6.833 7.679 1.00 0.13 C ATOM 370 O ILE A 244 -5.704 -7.304 8.718 1.00 0.17 O ATOM 371 CB ILE A 244 -3.292 -8.238 7.666 1.00 0.30 C ATOM 372 CG1 ILE A 244 -2.252 -7.155 7.953 1.00 0.43 C ATOM 373 CG2 ILE A 244 -2.709 -9.467 7.016 1.00 0.37 C ATOM 374 CD1 ILE A 244 -1.528 -7.312 9.270 1.00 0.61 C ATOM 0 H ILE A 244 -3.456 -6.001 5.897 1.00 0.12 H new ATOM 0 HA ILE A 244 -4.953 -8.477 6.325 1.00 0.16 H new ATOM 0 HB ILE A 244 -3.694 -8.557 8.628 1.00 0.30 H new ATOM 0 HG12 ILE A 244 -1.518 -7.152 7.148 1.00 0.43 H new ATOM 0 HG13 ILE A 244 -2.745 -6.183 7.938 1.00 0.43 H new ATOM 0 HG21 ILE A 244 -1.921 -9.874 7.649 1.00 0.37 H new ATOM 0 HG22 ILE A 244 -3.491 -10.215 6.884 1.00 0.37 H new ATOM 0 HG23 ILE A 244 -2.293 -9.202 6.044 1.00 0.37 H new ATOM 0 HD11 ILE A 244 -0.810 -6.501 9.390 1.00 0.61 H new ATOM 0 HD12 ILE A 244 -2.249 -7.282 10.087 1.00 0.61 H new ATOM 0 HD13 ILE A 244 -1.002 -8.267 9.285 1.00 0.61 H new ATOM 386 N GLN A 245 -5.473 -5.602 7.278 1.00 0.11 N ATOM 387 CA GLN A 245 -6.331 -4.671 7.992 1.00 0.12 C ATOM 388 C GLN A 245 -6.472 -3.424 7.167 1.00 0.11 C ATOM 389 O GLN A 245 -5.606 -2.557 7.150 1.00 0.12 O ATOM 390 CB GLN A 245 -5.782 -4.309 9.381 1.00 0.15 C ATOM 391 CG GLN A 245 -6.211 -5.253 10.490 1.00 0.21 C ATOM 392 CD GLN A 245 -6.050 -4.655 11.871 1.00 0.33 C ATOM 393 OE1 GLN A 245 -4.990 -4.764 12.491 1.00 1.05 O ATOM 394 NE2 GLN A 245 -7.105 -4.035 12.369 1.00 1.20 N ATOM 0 H GLN A 245 -5.048 -5.208 6.438 1.00 0.11 H new ATOM 0 HA GLN A 245 -7.297 -5.152 8.147 1.00 0.12 H new ATOM 0 HB2 GLN A 245 -4.693 -4.293 9.335 1.00 0.15 H new ATOM 0 HB3 GLN A 245 -6.105 -3.299 9.634 1.00 0.15 H new ATOM 0 HG2 GLN A 245 -7.254 -5.531 10.340 1.00 0.21 H new ATOM 0 HG3 GLN A 245 -5.625 -6.170 10.426 1.00 0.21 H new ATOM 0 HE21 GLN A 245 -7.963 -3.968 11.821 1.00 1.20 H new ATOM 0 HE22 GLN A 245 -7.062 -3.623 13.301 1.00 1.20 H new ATOM 403 N LYS A 246 -7.534 -3.379 6.425 1.00 0.12 N ATOM 404 CA LYS A 246 -7.874 -2.217 5.663 1.00 0.12 C ATOM 405 C LYS A 246 -9.358 -2.007 5.809 1.00 0.15 C ATOM 406 O LYS A 246 -10.091 -2.930 6.171 1.00 0.19 O ATOM 407 CB LYS A 246 -7.421 -2.438 4.229 1.00 0.12 C ATOM 408 CG LYS A 246 -7.103 -1.202 3.369 1.00 0.13 C ATOM 409 CD LYS A 246 -5.792 -1.413 2.635 1.00 0.14 C ATOM 410 CE LYS A 246 -4.638 -0.898 3.421 1.00 0.16 C ATOM 411 NZ LYS A 246 -3.346 -1.088 2.702 1.00 0.21 N ATOM 0 H LYS A 246 -8.194 -4.151 6.330 1.00 0.12 H new ATOM 0 HA LYS A 246 -7.376 -1.312 6.010 1.00 0.12 H new ATOM 0 HB2 LYS A 246 -6.529 -3.065 4.254 1.00 0.12 H new ATOM 0 HB3 LYS A 246 -8.197 -3.008 3.719 1.00 0.12 H new ATOM 0 HG2 LYS A 246 -7.907 -1.028 2.654 1.00 0.13 H new ATOM 0 HG3 LYS A 246 -7.039 -0.315 3.999 1.00 0.13 H new ATOM 0 HD2 LYS A 246 -5.652 -2.475 2.435 1.00 0.14 H new ATOM 0 HD3 LYS A 246 -5.829 -0.909 1.669 1.00 0.14 H new ATOM 0 HE2 LYS A 246 -4.785 0.162 3.629 1.00 0.16 H new ATOM 0 HE3 LYS A 246 -4.597 -1.409 4.383 1.00 0.16 H new ATOM 0 HZ1 LYS A 246 -2.568 -0.716 3.283 1.00 0.21 H new ATOM 0 HZ2 LYS A 246 -3.193 -2.101 2.525 1.00 0.21 H new ATOM 0 HZ3 LYS A 246 -3.375 -0.579 1.796 1.00 0.21 H new ATOM 425 N ARG A 247 -9.793 -0.820 5.548 1.00 0.16 N ATOM 426 CA ARG A 247 -11.171 -0.470 5.702 1.00 0.16 C ATOM 427 C ARG A 247 -11.829 -0.609 4.352 1.00 0.14 C ATOM 428 O ARG A 247 -11.138 -0.850 3.363 1.00 0.14 O ATOM 429 CB ARG A 247 -11.280 0.963 6.209 1.00 0.17 C ATOM 430 CG ARG A 247 -10.918 1.998 5.162 1.00 0.18 C ATOM 431 CD ARG A 247 -10.979 3.412 5.700 1.00 0.23 C ATOM 432 NE ARG A 247 -12.362 3.862 5.833 1.00 0.49 N ATOM 433 CZ ARG A 247 -12.721 5.059 6.292 1.00 0.63 C ATOM 434 NH1 ARG A 247 -11.796 5.924 6.682 1.00 1.63 N ATOM 435 NH2 ARG A 247 -14.005 5.385 6.364 1.00 0.63 N ATOM 0 H ARG A 247 -9.200 -0.058 5.219 1.00 0.16 H new ATOM 0 HA ARG A 247 -11.663 -1.121 6.425 1.00 0.16 H new ATOM 0 HB2 ARG A 247 -12.299 1.144 6.551 1.00 0.17 H new ATOM 0 HB3 ARG A 247 -10.627 1.086 7.073 1.00 0.17 H new ATOM 0 HG2 ARG A 247 -9.914 1.797 4.789 1.00 0.18 H new ATOM 0 HG3 ARG A 247 -11.597 1.906 4.314 1.00 0.18 H new ATOM 0 HD2 ARG A 247 -10.483 3.458 6.670 1.00 0.23 H new ATOM 0 HD3 ARG A 247 -10.437 4.082 5.033 1.00 0.23 H new ATOM 0 HE ARG A 247 -13.102 3.217 5.556 1.00 0.49 H new ATOM 0 HH11 ARG A 247 -10.809 5.673 6.631 1.00 1.63 H new ATOM 0 HH12 ARG A 247 -12.071 6.841 7.034 1.00 1.63 H new ATOM 0 HH21 ARG A 247 -14.718 4.718 6.068 1.00 0.63 H new ATOM 0 HH22 ARG A 247 -14.279 6.302 6.716 1.00 0.63 H new ATOM 449 N VAL A 248 -13.142 -0.550 4.293 1.00 0.15 N ATOM 450 CA VAL A 248 -13.781 -0.319 3.031 1.00 0.15 C ATOM 451 C VAL A 248 -14.053 1.173 2.875 1.00 0.14 C ATOM 452 O VAL A 248 -15.061 1.695 3.355 1.00 0.16 O ATOM 453 CB VAL A 248 -15.071 -1.140 2.867 1.00 0.19 C ATOM 454 CG1 VAL A 248 -15.897 -0.616 1.709 1.00 0.21 C ATOM 455 CG2 VAL A 248 -14.724 -2.598 2.641 1.00 0.21 C ATOM 0 H VAL A 248 -13.770 -0.657 5.089 1.00 0.15 H new ATOM 0 HA VAL A 248 -13.109 -0.653 2.241 1.00 0.15 H new ATOM 0 HB VAL A 248 -15.662 -1.047 3.778 1.00 0.19 H new ATOM 0 HG11 VAL A 248 -16.805 -1.211 1.611 1.00 0.21 H new ATOM 0 HG12 VAL A 248 -16.164 0.425 1.894 1.00 0.21 H new ATOM 0 HG13 VAL A 248 -15.317 -0.684 0.788 1.00 0.21 H new ATOM 0 HG21 VAL A 248 -15.641 -3.176 2.525 1.00 0.21 H new ATOM 0 HG22 VAL A 248 -14.119 -2.692 1.739 1.00 0.21 H new ATOM 0 HG23 VAL A 248 -14.162 -2.975 3.496 1.00 0.21 H new ATOM 465 N PRO A 249 -13.098 1.895 2.279 1.00 0.13 N ATOM 466 CA PRO A 249 -13.261 3.247 1.877 1.00 0.15 C ATOM 467 C PRO A 249 -13.604 3.285 0.403 1.00 0.16 C ATOM 468 O PRO A 249 -14.279 2.393 -0.119 1.00 0.17 O ATOM 469 CB PRO A 249 -11.867 3.847 2.128 1.00 0.16 C ATOM 470 CG PRO A 249 -10.922 2.684 2.142 1.00 0.14 C ATOM 471 CD PRO A 249 -11.756 1.460 1.945 1.00 0.13 C ATOM 0 HA PRO A 249 -14.052 3.782 2.402 1.00 0.15 H new ATOM 0 HB2 PRO A 249 -11.601 4.559 1.347 1.00 0.16 H new ATOM 0 HB3 PRO A 249 -11.838 4.387 3.074 1.00 0.16 H new ATOM 0 HG2 PRO A 249 -10.178 2.779 1.351 1.00 0.14 H new ATOM 0 HG3 PRO A 249 -10.379 2.636 3.086 1.00 0.14 H new ATOM 0 HD2 PRO A 249 -11.697 1.098 0.919 1.00 0.13 H new ATOM 0 HD3 PRO A 249 -11.428 0.645 2.590 1.00 0.13 H new ATOM 479 N ASN A 250 -13.133 4.308 -0.254 1.00 0.17 N ATOM 480 CA ASN A 250 -13.176 4.391 -1.697 1.00 0.20 C ATOM 481 C ASN A 250 -12.275 5.510 -2.145 1.00 0.21 C ATOM 482 O ASN A 250 -11.616 6.154 -1.327 1.00 0.19 O ATOM 483 CB ASN A 250 -14.591 4.617 -2.243 1.00 0.24 C ATOM 484 CG ASN A 250 -15.371 5.642 -1.447 1.00 0.69 C ATOM 485 OD1 ASN A 250 -15.232 6.841 -1.659 1.00 1.18 O ATOM 486 ND2 ASN A 250 -16.211 5.173 -0.539 1.00 1.28 N ATOM 0 H ASN A 250 -12.704 5.117 0.196 1.00 0.17 H new ATOM 0 HA ASN A 250 -12.838 3.433 -2.092 1.00 0.20 H new ATOM 0 HB2 ASN A 250 -14.527 4.942 -3.281 1.00 0.24 H new ATOM 0 HB3 ASN A 250 -15.133 3.671 -2.238 1.00 0.24 H new ATOM 0 HD21 ASN A 250 -16.774 5.817 0.016 1.00 1.28 H new ATOM 0 HD22 ASN A 250 -16.296 4.167 -0.394 1.00 1.28 H new ATOM 493 N ALA A 251 -12.240 5.745 -3.436 1.00 0.26 N ATOM 494 CA ALA A 251 -11.391 6.777 -3.978 1.00 0.31 C ATOM 495 C ALA A 251 -11.941 8.173 -3.686 1.00 0.37 C ATOM 496 O ALA A 251 -11.221 9.162 -3.772 1.00 0.42 O ATOM 497 CB ALA A 251 -11.210 6.569 -5.467 1.00 0.39 C ATOM 0 H ALA A 251 -12.789 5.236 -4.129 1.00 0.26 H new ATOM 0 HA ALA A 251 -10.419 6.706 -3.490 1.00 0.31 H new ATOM 0 HB1 ALA A 251 -10.568 7.353 -5.868 1.00 0.39 H new ATOM 0 HB2 ALA A 251 -10.751 5.597 -5.645 1.00 0.39 H new ATOM 0 HB3 ALA A 251 -12.181 6.608 -5.960 1.00 0.39 H new ATOM 503 N TYR A 252 -13.209 8.253 -3.327 1.00 0.39 N ATOM 504 CA TYR A 252 -13.807 9.527 -2.956 1.00 0.47 C ATOM 505 C TYR A 252 -13.418 9.849 -1.531 1.00 0.46 C ATOM 506 O TYR A 252 -13.468 10.993 -1.078 1.00 0.56 O ATOM 507 CB TYR A 252 -15.325 9.450 -3.035 1.00 0.57 C ATOM 508 CG TYR A 252 -15.854 8.784 -4.280 1.00 0.95 C ATOM 509 CD1 TYR A 252 -15.163 8.834 -5.482 1.00 1.30 C ATOM 510 CD2 TYR A 252 -17.060 8.108 -4.241 1.00 1.27 C ATOM 511 CE1 TYR A 252 -15.664 8.221 -6.614 1.00 1.80 C ATOM 512 CE2 TYR A 252 -17.568 7.492 -5.364 1.00 1.76 C ATOM 513 CZ TYR A 252 -16.869 7.553 -6.548 1.00 1.98 C ATOM 514 OH TYR A 252 -17.377 6.941 -7.672 1.00 2.53 O ATOM 0 H TYR A 252 -13.844 7.456 -3.284 1.00 0.39 H new ATOM 0 HA TYR A 252 -13.452 10.296 -3.642 1.00 0.47 H new ATOM 0 HB2 TYR A 252 -15.694 8.909 -2.164 1.00 0.57 H new ATOM 0 HB3 TYR A 252 -15.731 10.460 -2.978 1.00 0.57 H new ATOM 0 HD1 TYR A 252 -14.221 9.359 -5.533 1.00 1.30 H new ATOM 0 HD2 TYR A 252 -17.613 8.062 -3.314 1.00 1.27 H new ATOM 0 HE1 TYR A 252 -15.116 8.264 -7.544 1.00 1.80 H new ATOM 0 HE2 TYR A 252 -18.509 6.964 -5.315 1.00 1.76 H new ATOM 0 HH TYR A 252 -18.232 6.515 -7.454 1.00 2.53 H new ATOM 524 N ASP A 253 -13.018 8.803 -0.848 1.00 0.40 N ATOM 525 CA ASP A 253 -12.739 8.826 0.549 1.00 0.43 C ATOM 526 C ASP A 253 -11.258 8.952 0.754 1.00 0.38 C ATOM 527 O ASP A 253 -10.581 7.944 0.944 1.00 0.34 O ATOM 528 CB ASP A 253 -13.188 7.497 1.105 1.00 0.44 C ATOM 529 CG ASP A 253 -14.010 7.605 2.371 1.00 0.56 C ATOM 530 OD1 ASP A 253 -14.969 8.398 2.401 1.00 0.80 O ATOM 531 OD2 ASP A 253 -13.688 6.903 3.348 1.00 0.88 O ATOM 0 H ASP A 253 -12.876 7.887 -1.273 1.00 0.40 H new ATOM 0 HA ASP A 253 -13.245 9.659 1.036 1.00 0.43 H new ATOM 0 HB2 ASP A 253 -13.774 6.977 0.347 1.00 0.44 H new ATOM 0 HB3 ASP A 253 -12.310 6.883 1.306 1.00 0.44 H new ATOM 536 N LYS A 254 -10.750 10.180 0.673 1.00 0.43 N ATOM 537 CA LYS A 254 -9.327 10.449 0.893 1.00 0.41 C ATOM 538 C LYS A 254 -8.483 9.839 -0.206 1.00 0.31 C ATOM 539 O LYS A 254 -7.276 10.038 -0.254 1.00 0.28 O ATOM 540 CB LYS A 254 -8.910 9.851 2.223 1.00 0.45 C ATOM 541 CG LYS A 254 -9.857 10.212 3.333 1.00 0.60 C ATOM 542 CD LYS A 254 -9.872 9.154 4.424 1.00 0.74 C ATOM 543 CE LYS A 254 -11.004 8.173 4.172 1.00 0.79 C ATOM 544 NZ LYS A 254 -12.307 8.712 4.633 1.00 1.32 N ATOM 0 H LYS A 254 -11.304 11.009 0.456 1.00 0.43 H new ATOM 0 HA LYS A 254 -9.174 11.528 0.892 1.00 0.41 H new ATOM 0 HB2 LYS A 254 -8.859 8.766 2.131 1.00 0.45 H new ATOM 0 HB3 LYS A 254 -7.908 10.197 2.476 1.00 0.45 H new ATOM 0 HG2 LYS A 254 -9.568 11.172 3.761 1.00 0.60 H new ATOM 0 HG3 LYS A 254 -10.862 10.333 2.929 1.00 0.60 H new ATOM 0 HD2 LYS A 254 -8.919 8.626 4.445 1.00 0.74 H new ATOM 0 HD3 LYS A 254 -9.997 9.625 5.399 1.00 0.74 H new ATOM 0 HE2 LYS A 254 -11.060 7.947 3.107 1.00 0.79 H new ATOM 0 HE3 LYS A 254 -10.795 7.235 4.687 1.00 0.79 H new ATOM 0 HZ1 LYS A 254 -13.024 7.959 4.603 1.00 1.32 H new ATOM 0 HZ2 LYS A 254 -12.213 9.062 5.608 1.00 1.32 H new ATOM 0 HZ3 LYS A 254 -12.599 9.493 4.012 1.00 1.32 H new ATOM 558 N THR A 255 -9.165 9.120 -1.078 1.00 0.28 N ATOM 559 CA THR A 255 -8.584 8.139 -1.961 1.00 0.22 C ATOM 560 C THR A 255 -7.937 7.090 -1.092 1.00 0.15 C ATOM 561 O THR A 255 -6.774 7.202 -0.701 1.00 0.14 O ATOM 562 CB THR A 255 -7.600 8.678 -3.047 1.00 0.27 C ATOM 563 OG1 THR A 255 -6.458 9.321 -2.473 1.00 0.41 O ATOM 564 CG2 THR A 255 -8.301 9.643 -3.986 1.00 0.55 C ATOM 0 H THR A 255 -10.175 9.210 -1.191 1.00 0.28 H new ATOM 0 HA THR A 255 -9.393 7.733 -2.568 1.00 0.22 H new ATOM 0 HB THR A 255 -7.255 7.810 -3.608 1.00 0.27 H new ATOM 0 HG1 THR A 255 -6.456 9.180 -1.503 1.00 0.41 H new ATOM 0 HG21 THR A 255 -7.593 10.003 -4.732 1.00 0.55 H new ATOM 0 HG22 THR A 255 -9.125 9.132 -4.484 1.00 0.55 H new ATOM 0 HG23 THR A 255 -8.689 10.488 -3.417 1.00 0.55 H new ATOM 572 N ALA A 256 -8.770 6.171 -0.647 1.00 0.13 N ATOM 573 CA ALA A 256 -8.334 5.079 0.181 1.00 0.11 C ATOM 574 C ALA A 256 -8.676 3.709 -0.437 1.00 0.10 C ATOM 575 O ALA A 256 -9.475 3.615 -1.368 1.00 0.12 O ATOM 576 CB ALA A 256 -8.919 5.246 1.565 1.00 0.13 C ATOM 0 H ALA A 256 -9.769 6.166 -0.853 1.00 0.13 H new ATOM 0 HA ALA A 256 -7.247 5.102 0.254 1.00 0.11 H new ATOM 0 HB1 ALA A 256 -8.593 4.422 2.200 1.00 0.13 H new ATOM 0 HB2 ALA A 256 -8.579 6.189 1.992 1.00 0.13 H new ATOM 0 HB3 ALA A 256 -10.007 5.247 1.502 1.00 0.13 H new ATOM 582 N LEU A 257 -8.090 2.653 0.129 1.00 0.10 N ATOM 583 CA LEU A 257 -8.175 1.293 -0.431 1.00 0.09 C ATOM 584 C LEU A 257 -9.317 0.491 0.119 1.00 0.09 C ATOM 585 O LEU A 257 -9.332 0.176 1.306 1.00 0.11 O ATOM 586 CB LEU A 257 -6.899 0.514 -0.115 1.00 0.11 C ATOM 587 CG LEU A 257 -5.675 0.886 -0.907 1.00 0.19 C ATOM 588 CD1 LEU A 257 -6.022 1.275 -2.328 1.00 0.27 C ATOM 589 CD2 LEU A 257 -4.923 1.995 -0.221 1.00 0.21 C ATOM 0 H LEU A 257 -7.542 2.711 0.988 1.00 0.10 H new ATOM 0 HA LEU A 257 -8.323 1.429 -1.502 1.00 0.09 H new ATOM 0 HB2 LEU A 257 -6.673 0.643 0.944 1.00 0.11 H new ATOM 0 HB3 LEU A 257 -7.098 -0.546 -0.272 1.00 0.11 H new ATOM 0 HG LEU A 257 -5.034 0.006 -0.958 1.00 0.19 H new ATOM 0 HD11 LEU A 257 -5.111 1.537 -2.866 1.00 0.27 H new ATOM 0 HD12 LEU A 257 -6.510 0.437 -2.826 1.00 0.27 H new ATOM 0 HD13 LEU A 257 -6.695 2.132 -2.316 1.00 0.27 H new ATOM 0 HD21 LEU A 257 -4.040 2.252 -0.806 1.00 0.21 H new ATOM 0 HD22 LEU A 257 -5.567 2.870 -0.131 1.00 0.21 H new ATOM 0 HD23 LEU A 257 -4.617 1.667 0.772 1.00 0.21 H new ATOM 601 N ALA A 258 -10.223 0.077 -0.756 1.00 0.10 N ATOM 602 CA ALA A 258 -11.354 -0.706 -0.320 1.00 0.11 C ATOM 603 C ALA A 258 -11.060 -2.167 -0.411 1.00 0.11 C ATOM 604 O ALA A 258 -11.248 -2.809 -1.443 1.00 0.14 O ATOM 605 CB ALA A 258 -12.560 -0.378 -1.141 1.00 0.14 C ATOM 0 H ALA A 258 -10.192 0.270 -1.757 1.00 0.10 H new ATOM 0 HA ALA A 258 -11.553 -0.458 0.723 1.00 0.11 H new ATOM 0 HB1 ALA A 258 -13.405 -0.976 -0.801 1.00 0.14 H new ATOM 0 HB2 ALA A 258 -12.797 0.680 -1.032 1.00 0.14 H new ATOM 0 HB3 ALA A 258 -12.358 -0.599 -2.189 1.00 0.14 H new ATOM 611 N LEU A 259 -10.609 -2.692 0.684 1.00 0.10 N ATOM 612 CA LEU A 259 -10.298 -4.092 0.763 1.00 0.12 C ATOM 613 C LEU A 259 -10.450 -4.588 2.179 1.00 0.12 C ATOM 614 O LEU A 259 -10.575 -3.797 3.113 1.00 0.12 O ATOM 615 CB LEU A 259 -8.876 -4.353 0.272 1.00 0.14 C ATOM 616 CG LEU A 259 -8.014 -3.108 0.139 1.00 0.11 C ATOM 617 CD1 LEU A 259 -6.596 -3.420 0.511 1.00 0.49 C ATOM 618 CD2 LEU A 259 -8.070 -2.567 -1.265 1.00 0.55 C ATOM 0 H LEU A 259 -10.445 -2.170 1.545 1.00 0.10 H new ATOM 0 HA LEU A 259 -10.996 -4.632 0.123 1.00 0.12 H new ATOM 0 HB2 LEU A 259 -8.389 -5.044 0.960 1.00 0.14 H new ATOM 0 HB3 LEU A 259 -8.926 -4.850 -0.697 1.00 0.14 H new ATOM 0 HG LEU A 259 -8.403 -2.349 0.818 1.00 0.11 H new ATOM 0 HD11 LEU A 259 -5.988 -2.521 0.412 1.00 0.49 H new ATOM 0 HD12 LEU A 259 -6.559 -3.771 1.542 1.00 0.49 H new ATOM 0 HD13 LEU A 259 -6.208 -4.195 -0.150 1.00 0.49 H new ATOM 0 HD21 LEU A 259 -7.446 -1.676 -1.337 1.00 0.55 H new ATOM 0 HD22 LEU A 259 -7.705 -3.323 -1.961 1.00 0.55 H new ATOM 0 HD23 LEU A 259 -9.099 -2.310 -1.515 1.00 0.55 H new ATOM 630 N GLU A 260 -10.442 -5.894 2.336 1.00 0.15 N ATOM 631 CA GLU A 260 -10.609 -6.494 3.642 1.00 0.16 C ATOM 632 C GLU A 260 -9.271 -7.013 4.145 1.00 0.15 C ATOM 633 O GLU A 260 -8.279 -7.024 3.425 1.00 0.16 O ATOM 634 CB GLU A 260 -11.661 -7.616 3.551 1.00 0.21 C ATOM 635 CG GLU A 260 -11.538 -8.733 4.581 1.00 0.23 C ATOM 636 CD GLU A 260 -12.874 -9.244 5.067 1.00 0.47 C ATOM 637 OE1 GLU A 260 -13.646 -8.444 5.634 1.00 0.75 O ATOM 638 OE2 GLU A 260 -13.146 -10.451 4.908 1.00 0.92 O ATOM 0 H GLU A 260 -10.321 -6.562 1.574 1.00 0.15 H new ATOM 0 HA GLU A 260 -10.963 -5.752 4.357 1.00 0.16 H new ATOM 0 HB2 GLU A 260 -12.650 -7.168 3.647 1.00 0.21 H new ATOM 0 HB3 GLU A 260 -11.606 -8.058 2.556 1.00 0.21 H new ATOM 0 HG2 GLU A 260 -10.977 -9.560 4.146 1.00 0.23 H new ATOM 0 HG3 GLU A 260 -10.963 -8.371 5.433 1.00 0.23 H new ATOM 645 N VAL A 261 -9.229 -7.353 5.398 1.00 0.16 N ATOM 646 CA VAL A 261 -8.168 -8.159 5.932 1.00 0.16 C ATOM 647 C VAL A 261 -7.978 -9.449 5.135 1.00 0.17 C ATOM 648 O VAL A 261 -8.926 -10.199 4.910 1.00 0.21 O ATOM 649 CB VAL A 261 -8.511 -8.532 7.360 1.00 0.19 C ATOM 650 CG1 VAL A 261 -7.490 -9.522 7.896 1.00 0.21 C ATOM 651 CG2 VAL A 261 -8.623 -7.271 8.182 1.00 0.18 C ATOM 0 H VAL A 261 -9.932 -7.079 6.084 1.00 0.16 H new ATOM 0 HA VAL A 261 -7.246 -7.580 5.878 1.00 0.16 H new ATOM 0 HB VAL A 261 -9.476 -9.036 7.413 1.00 0.19 H new ATOM 0 HG11 VAL A 261 -7.743 -9.786 8.923 1.00 0.21 H new ATOM 0 HG12 VAL A 261 -7.496 -10.420 7.279 1.00 0.21 H new ATOM 0 HG13 VAL A 261 -6.498 -9.071 7.871 1.00 0.21 H new ATOM 0 HG21 VAL A 261 -8.870 -7.529 9.212 1.00 0.18 H new ATOM 0 HG22 VAL A 261 -7.673 -6.736 8.159 1.00 0.18 H new ATOM 0 HG23 VAL A 261 -9.407 -6.636 7.769 1.00 0.18 H new ATOM 661 N GLY A 262 -6.757 -9.701 4.711 1.00 0.17 N ATOM 662 CA GLY A 262 -6.455 -10.946 4.046 1.00 0.18 C ATOM 663 C GLY A 262 -6.604 -10.821 2.559 1.00 0.17 C ATOM 664 O GLY A 262 -6.426 -11.780 1.806 1.00 0.19 O ATOM 0 H GLY A 262 -5.966 -9.065 4.815 1.00 0.17 H new ATOM 0 HA2 GLY A 262 -5.437 -11.252 4.287 1.00 0.18 H new ATOM 0 HA3 GLY A 262 -7.118 -11.728 4.415 1.00 0.18 H new ATOM 668 N GLU A 263 -6.965 -9.632 2.153 1.00 0.16 N ATOM 669 CA GLU A 263 -7.066 -9.279 0.764 1.00 0.17 C ATOM 670 C GLU A 263 -5.684 -8.873 0.277 1.00 0.13 C ATOM 671 O GLU A 263 -4.693 -9.174 0.920 1.00 0.11 O ATOM 672 CB GLU A 263 -8.091 -8.158 0.665 1.00 0.18 C ATOM 673 CG GLU A 263 -9.413 -8.559 1.289 1.00 0.21 C ATOM 674 CD GLU A 263 -10.548 -8.600 0.288 1.00 0.51 C ATOM 675 OE1 GLU A 263 -11.209 -7.561 0.086 1.00 0.84 O ATOM 676 OE2 GLU A 263 -10.789 -9.683 -0.291 1.00 0.75 O ATOM 0 H GLU A 263 -7.201 -8.871 2.790 1.00 0.16 H new ATOM 0 HA GLU A 263 -7.398 -10.103 0.132 1.00 0.17 H new ATOM 0 HB2 GLU A 263 -7.707 -7.268 1.163 1.00 0.18 H new ATOM 0 HB3 GLU A 263 -8.246 -7.896 -0.382 1.00 0.18 H new ATOM 0 HG2 GLU A 263 -9.308 -9.540 1.752 1.00 0.21 H new ATOM 0 HG3 GLU A 263 -9.662 -7.856 2.084 1.00 0.21 H new ATOM 683 N LEU A 264 -5.595 -8.177 -0.813 1.00 0.17 N ATOM 684 CA LEU A 264 -4.294 -7.817 -1.355 1.00 0.18 C ATOM 685 C LEU A 264 -4.328 -6.381 -1.820 1.00 0.17 C ATOM 686 O LEU A 264 -5.357 -5.867 -2.262 1.00 0.31 O ATOM 687 CB LEU A 264 -3.995 -8.778 -2.498 1.00 0.48 C ATOM 688 CG LEU A 264 -2.579 -8.859 -3.127 1.00 0.31 C ATOM 689 CD1 LEU A 264 -2.149 -7.571 -3.774 1.00 0.36 C ATOM 690 CD2 LEU A 264 -1.532 -9.286 -2.127 1.00 0.83 C ATOM 0 H LEU A 264 -6.393 -7.842 -1.352 1.00 0.17 H new ATOM 0 HA LEU A 264 -3.507 -7.896 -0.605 1.00 0.18 H new ATOM 0 HB2 LEU A 264 -4.246 -9.779 -2.147 1.00 0.48 H new ATOM 0 HB3 LEU A 264 -4.689 -8.540 -3.304 1.00 0.48 H new ATOM 0 HG LEU A 264 -2.660 -9.620 -3.903 1.00 0.31 H new ATOM 0 HD11 LEU A 264 -1.151 -7.691 -4.195 1.00 0.36 H new ATOM 0 HD12 LEU A 264 -2.849 -7.311 -4.568 1.00 0.36 H new ATOM 0 HD13 LEU A 264 -2.135 -6.776 -3.028 1.00 0.36 H new ATOM 0 HD21 LEU A 264 -0.558 -9.328 -2.615 1.00 0.83 H new ATOM 0 HD22 LEU A 264 -1.497 -8.568 -1.308 1.00 0.83 H new ATOM 0 HD23 LEU A 264 -1.784 -10.271 -1.735 1.00 0.83 H new ATOM 702 N VAL A 265 -3.199 -5.755 -1.693 1.00 0.19 N ATOM 703 CA VAL A 265 -3.022 -4.384 -2.058 1.00 0.19 C ATOM 704 C VAL A 265 -1.663 -4.231 -2.701 1.00 0.24 C ATOM 705 O VAL A 265 -0.721 -4.901 -2.322 1.00 0.47 O ATOM 706 CB VAL A 265 -3.123 -3.479 -0.813 1.00 0.16 C ATOM 707 CG1 VAL A 265 -1.811 -3.370 -0.070 1.00 0.25 C ATOM 708 CG2 VAL A 265 -3.540 -2.099 -1.140 1.00 0.27 C ATOM 0 H VAL A 265 -2.355 -6.194 -1.324 1.00 0.19 H new ATOM 0 HA VAL A 265 -3.802 -4.086 -2.758 1.00 0.19 H new ATOM 0 HB VAL A 265 -3.876 -3.964 -0.192 1.00 0.16 H new ATOM 0 HG11 VAL A 265 -1.937 -2.722 0.797 1.00 0.25 H new ATOM 0 HG12 VAL A 265 -1.496 -4.360 0.259 1.00 0.25 H new ATOM 0 HG13 VAL A 265 -1.053 -2.949 -0.730 1.00 0.25 H new ATOM 0 HG21 VAL A 265 -3.594 -1.509 -0.225 1.00 0.27 H new ATOM 0 HG22 VAL A 265 -2.814 -1.651 -1.819 1.00 0.27 H new ATOM 0 HG23 VAL A 265 -4.520 -2.118 -1.617 1.00 0.27 H new ATOM 718 N LYS A 266 -1.565 -3.401 -3.692 1.00 0.14 N ATOM 719 CA LYS A 266 -0.292 -3.113 -4.290 1.00 0.15 C ATOM 720 C LYS A 266 0.098 -1.706 -3.976 1.00 0.32 C ATOM 721 O LYS A 266 -0.756 -0.868 -3.773 1.00 0.74 O ATOM 722 CB LYS A 266 -0.360 -3.327 -5.791 1.00 0.26 C ATOM 723 CG LYS A 266 0.910 -2.904 -6.491 1.00 0.42 C ATOM 724 CD LYS A 266 0.633 -2.073 -7.736 1.00 0.57 C ATOM 725 CE LYS A 266 -0.472 -2.687 -8.590 1.00 0.96 C ATOM 726 NZ LYS A 266 -0.568 -2.060 -9.935 1.00 1.84 N ATOM 0 H LYS A 266 -2.354 -2.907 -4.108 1.00 0.14 H new ATOM 0 HA LYS A 266 0.461 -3.788 -3.883 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.552 -4.380 -5.997 1.00 0.26 H new ATOM 0 HB3 LYS A 266 -1.200 -2.765 -6.198 1.00 0.26 H new ATOM 0 HG2 LYS A 266 1.528 -2.328 -5.802 1.00 0.42 H new ATOM 0 HG3 LYS A 266 1.482 -3.790 -6.768 1.00 0.42 H new ATOM 0 HD2 LYS A 266 0.348 -1.063 -7.443 1.00 0.57 H new ATOM 0 HD3 LYS A 266 1.545 -1.988 -8.327 1.00 0.57 H new ATOM 0 HE2 LYS A 266 -0.288 -3.755 -8.703 1.00 0.96 H new ATOM 0 HE3 LYS A 266 -1.426 -2.581 -8.074 1.00 0.96 H new ATOM 0 HZ1 LYS A 266 -1.333 -2.512 -10.475 1.00 1.84 H new ATOM 0 HZ2 LYS A 266 -0.771 -1.045 -9.831 1.00 1.84 H new ATOM 0 HZ3 LYS A 266 0.332 -2.183 -10.441 1.00 1.84 H new ATOM 740 N VAL A 267 1.372 -1.447 -3.860 1.00 0.14 N ATOM 741 CA VAL A 267 1.790 -0.093 -3.776 1.00 0.16 C ATOM 742 C VAL A 267 2.494 0.307 -5.065 1.00 0.20 C ATOM 743 O VAL A 267 3.609 -0.112 -5.369 1.00 0.23 O ATOM 744 CB VAL A 267 2.663 0.159 -2.544 1.00 0.20 C ATOM 745 CG1 VAL A 267 3.972 -0.608 -2.622 1.00 0.31 C ATOM 746 CG2 VAL A 267 2.865 1.651 -2.383 1.00 0.22 C ATOM 0 H VAL A 267 2.116 -2.144 -3.823 1.00 0.14 H new ATOM 0 HA VAL A 267 0.908 0.536 -3.655 1.00 0.16 H new ATOM 0 HB VAL A 267 2.159 -0.216 -1.654 1.00 0.20 H new ATOM 0 HG11 VAL A 267 4.566 -0.405 -1.731 1.00 0.31 H new ATOM 0 HG12 VAL A 267 3.765 -1.676 -2.684 1.00 0.31 H new ATOM 0 HG13 VAL A 267 4.526 -0.294 -3.507 1.00 0.31 H new ATOM 0 HG21 VAL A 267 3.486 1.842 -1.508 1.00 0.22 H new ATOM 0 HG22 VAL A 267 3.357 2.049 -3.270 1.00 0.22 H new ATOM 0 HG23 VAL A 267 1.898 2.137 -2.255 1.00 0.22 H new ATOM 756 N THR A 268 1.795 1.120 -5.815 1.00 0.21 N ATOM 757 CA THR A 268 2.239 1.603 -7.096 1.00 0.24 C ATOM 758 C THR A 268 2.678 3.073 -7.055 1.00 0.24 C ATOM 759 O THR A 268 3.341 3.553 -7.972 1.00 0.35 O ATOM 760 CB THR A 268 1.092 1.495 -8.107 1.00 0.26 C ATOM 761 OG1 THR A 268 1.430 2.217 -9.291 1.00 0.31 O ATOM 762 CG2 THR A 268 -0.204 2.034 -7.496 1.00 0.24 C ATOM 0 H THR A 268 0.877 1.473 -5.544 1.00 0.21 H new ATOM 0 HA THR A 268 3.094 0.991 -7.381 1.00 0.24 H new ATOM 0 HB THR A 268 0.936 0.448 -8.366 1.00 0.26 H new ATOM 0 HG1 THR A 268 2.333 2.587 -9.202 1.00 0.31 H new ATOM 0 HG21 THR A 268 -1.011 1.952 -8.224 1.00 0.24 H new ATOM 0 HG22 THR A 268 -0.456 1.455 -6.608 1.00 0.24 H new ATOM 0 HG23 THR A 268 -0.069 3.080 -7.221 1.00 0.24 H new ATOM 770 N LYS A 269 2.301 3.788 -6.011 1.00 0.20 N ATOM 771 CA LYS A 269 2.404 5.229 -6.007 1.00 0.23 C ATOM 772 C LYS A 269 3.380 5.676 -4.943 1.00 0.28 C ATOM 773 O LYS A 269 3.218 5.342 -3.786 1.00 0.45 O ATOM 774 CB LYS A 269 1.034 5.839 -5.705 1.00 0.25 C ATOM 775 CG LYS A 269 0.932 7.332 -5.981 1.00 0.49 C ATOM 776 CD LYS A 269 1.302 7.670 -7.417 1.00 0.59 C ATOM 777 CE LYS A 269 2.603 8.454 -7.483 1.00 0.49 C ATOM 778 NZ LYS A 269 3.106 8.575 -8.881 1.00 1.40 N ATOM 0 H LYS A 269 1.920 3.389 -5.153 1.00 0.20 H new ATOM 0 HA LYS A 269 2.754 5.559 -6.985 1.00 0.23 H new ATOM 0 HB2 LYS A 269 0.281 5.321 -6.299 1.00 0.25 H new ATOM 0 HB3 LYS A 269 0.793 5.659 -4.657 1.00 0.25 H new ATOM 0 HG2 LYS A 269 -0.084 7.670 -5.779 1.00 0.49 H new ATOM 0 HG3 LYS A 269 1.589 7.873 -5.300 1.00 0.49 H new ATOM 0 HD2 LYS A 269 1.399 6.751 -7.996 1.00 0.59 H new ATOM 0 HD3 LYS A 269 0.501 8.251 -7.874 1.00 0.59 H new ATOM 0 HE2 LYS A 269 2.450 9.449 -7.065 1.00 0.49 H new ATOM 0 HE3 LYS A 269 3.356 7.962 -6.867 1.00 0.49 H new ATOM 0 HZ1 LYS A 269 3.994 9.116 -8.885 1.00 1.40 H new ATOM 0 HZ2 LYS A 269 3.276 7.626 -9.272 1.00 1.40 H new ATOM 0 HZ3 LYS A 269 2.399 9.067 -9.463 1.00 1.40 H new ATOM 792 N ILE A 270 4.405 6.402 -5.326 1.00 0.31 N ATOM 793 CA ILE A 270 5.275 7.020 -4.340 1.00 0.34 C ATOM 794 C ILE A 270 5.017 8.512 -4.314 1.00 0.38 C ATOM 795 O ILE A 270 5.313 9.224 -5.272 1.00 0.42 O ATOM 796 CB ILE A 270 6.768 6.772 -4.612 1.00 0.39 C ATOM 797 CG1 ILE A 270 7.019 5.321 -5.009 1.00 0.57 C ATOM 798 CG2 ILE A 270 7.604 7.132 -3.396 1.00 0.61 C ATOM 799 CD1 ILE A 270 6.294 4.315 -4.145 1.00 1.44 C ATOM 0 H ILE A 270 4.658 6.580 -6.298 1.00 0.31 H new ATOM 0 HA ILE A 270 5.043 6.563 -3.378 1.00 0.34 H new ATOM 0 HB ILE A 270 7.064 7.413 -5.443 1.00 0.39 H new ATOM 0 HG12 ILE A 270 6.715 5.181 -6.046 1.00 0.57 H new ATOM 0 HG13 ILE A 270 8.090 5.122 -4.961 1.00 0.57 H new ATOM 0 HG21 ILE A 270 8.657 6.949 -3.611 1.00 0.61 H new ATOM 0 HG22 ILE A 270 7.461 8.185 -3.155 1.00 0.61 H new ATOM 0 HG23 ILE A 270 7.295 6.521 -2.548 1.00 0.61 H new ATOM 0 HD11 ILE A 270 6.523 3.307 -4.490 1.00 1.44 H new ATOM 0 HD12 ILE A 270 6.616 4.426 -3.109 1.00 1.44 H new ATOM 0 HD13 ILE A 270 5.220 4.486 -4.211 1.00 1.44 H new ATOM 877 N TRP A 276 2.435 6.103 1.244 1.00 0.41 N ATOM 878 CA TRP A 276 2.267 6.123 -0.187 1.00 0.33 C ATOM 879 C TRP A 276 0.903 5.604 -0.561 1.00 0.23 C ATOM 880 O TRP A 276 0.092 5.262 0.305 1.00 0.22 O ATOM 881 CB TRP A 276 3.333 5.298 -0.906 1.00 0.41 C ATOM 882 CG TRP A 276 4.631 5.175 -0.166 1.00 0.62 C ATOM 883 CD1 TRP A 276 5.085 4.092 0.524 1.00 0.98 C ATOM 884 CD2 TRP A 276 5.638 6.170 -0.046 1.00 0.58 C ATOM 885 NE1 TRP A 276 6.308 4.365 1.082 1.00 1.10 N ATOM 886 CE2 TRP A 276 6.672 5.640 0.743 1.00 0.86 C ATOM 887 CE3 TRP A 276 5.760 7.455 -0.533 1.00 0.52 C ATOM 888 CZ2 TRP A 276 7.814 6.369 1.063 1.00 0.93 C ATOM 889 CZ3 TRP A 276 6.892 8.186 -0.223 1.00 0.69 C ATOM 890 CH2 TRP A 276 7.909 7.639 0.569 1.00 0.82 C ATOM 0 HA TRP A 276 2.372 7.161 -0.504 1.00 0.33 H new ATOM 0 HB2 TRP A 276 2.938 4.299 -1.089 1.00 0.41 H new ATOM 0 HB3 TRP A 276 3.526 5.748 -1.880 1.00 0.41 H new ATOM 0 HD1 TRP A 276 4.558 3.154 0.618 1.00 0.98 H new ATOM 0 HE1 TRP A 276 6.856 3.723 1.655 1.00 1.10 H new ATOM 0 HE3 TRP A 276 4.982 7.884 -1.148 1.00 0.52 H new ATOM 0 HZ2 TRP A 276 8.595 5.947 1.678 1.00 0.93 H new ATOM 0 HZ3 TRP A 276 6.993 9.194 -0.597 1.00 0.69 H new ATOM 0 HH2 TRP A 276 8.784 8.232 0.793 1.00 0.82 H new ATOM 901 N GLU A 277 0.664 5.545 -1.854 1.00 0.19 N ATOM 902 CA GLU A 277 -0.596 5.126 -2.370 1.00 0.16 C ATOM 903 C GLU A 277 -0.453 3.792 -3.023 1.00 0.19 C ATOM 904 O GLU A 277 0.643 3.329 -3.267 1.00 0.48 O ATOM 905 CB GLU A 277 -1.149 6.174 -3.316 1.00 0.15 C ATOM 906 CG GLU A 277 -1.977 7.205 -2.585 1.00 0.23 C ATOM 907 CD GLU A 277 -2.429 8.352 -3.467 1.00 0.27 C ATOM 908 OE1 GLU A 277 -2.709 8.117 -4.664 1.00 1.03 O ATOM 909 OE2 GLU A 277 -2.477 9.503 -2.979 1.00 0.92 O ATOM 0 H GLU A 277 1.349 5.790 -2.569 1.00 0.19 H new ATOM 0 HA GLU A 277 -1.313 5.020 -1.556 1.00 0.16 H new ATOM 0 HB2 GLU A 277 -0.326 6.668 -3.833 1.00 0.15 H new ATOM 0 HB3 GLU A 277 -1.760 5.690 -4.078 1.00 0.15 H new ATOM 0 HG2 GLU A 277 -2.854 6.719 -2.157 1.00 0.23 H new ATOM 0 HG3 GLU A 277 -1.396 7.603 -1.753 1.00 0.23 H new ATOM 916 N GLY A 278 -1.566 3.182 -3.266 1.00 0.39 N ATOM 917 CA GLY A 278 -1.597 1.851 -3.741 1.00 0.34 C ATOM 918 C GLY A 278 -2.725 1.680 -4.704 1.00 0.28 C ATOM 919 O GLY A 278 -3.474 2.619 -4.960 1.00 0.32 O ATOM 0 H GLY A 278 -2.486 3.604 -3.137 1.00 0.39 H new ATOM 0 HA2 GLY A 278 -0.652 1.607 -4.227 1.00 0.34 H new ATOM 0 HA3 GLY A 278 -1.713 1.160 -2.906 1.00 0.34 H new ATOM 923 N GLU A 279 -2.855 0.492 -5.217 1.00 0.22 N ATOM 924 CA GLU A 279 -3.925 0.161 -6.086 1.00 0.18 C ATOM 925 C GLU A 279 -4.135 -1.322 -6.003 1.00 0.13 C ATOM 926 O GLU A 279 -3.259 -2.119 -6.338 1.00 0.14 O ATOM 927 CB GLU A 279 -3.660 0.582 -7.507 1.00 0.25 C ATOM 928 CG GLU A 279 -4.932 0.567 -8.304 1.00 0.27 C ATOM 929 CD GLU A 279 -4.939 -0.505 -9.370 1.00 0.66 C ATOM 930 OE1 GLU A 279 -4.464 -0.232 -10.492 1.00 1.08 O ATOM 931 OE2 GLU A 279 -5.405 -1.625 -9.085 1.00 0.99 O ATOM 0 H GLU A 279 -2.209 -0.277 -5.036 1.00 0.22 H new ATOM 0 HA GLU A 279 -4.820 0.699 -5.774 1.00 0.18 H new ATOM 0 HB2 GLU A 279 -3.226 1.582 -7.522 1.00 0.25 H new ATOM 0 HB3 GLU A 279 -2.931 -0.089 -7.962 1.00 0.25 H new ATOM 0 HG2 GLU A 279 -5.776 0.411 -7.632 1.00 0.27 H new ATOM 0 HG3 GLU A 279 -5.074 1.541 -8.773 1.00 0.27 H new ATOM 938 N CYS A 280 -5.260 -1.671 -5.468 1.00 0.10 N ATOM 939 CA CYS A 280 -5.602 -3.037 -5.241 1.00 0.12 C ATOM 940 C CYS A 280 -6.700 -3.459 -6.171 1.00 0.15 C ATOM 941 O CYS A 280 -7.872 -3.294 -5.855 1.00 0.19 O ATOM 942 CB CYS A 280 -6.085 -3.110 -3.836 1.00 0.17 C ATOM 943 SG CYS A 280 -5.817 -1.572 -2.983 1.00 1.52 S ATOM 0 H CYS A 280 -5.976 -1.007 -5.173 1.00 0.10 H new ATOM 0 HA CYS A 280 -4.748 -3.692 -5.414 1.00 0.12 H new ATOM 0 HB2 CYS A 280 -7.147 -3.354 -3.826 1.00 0.17 H new ATOM 0 HB3 CYS A 280 -5.568 -3.914 -3.312 1.00 0.17 H new ATOM 0 HG CYS A 280 -4.618 -1.139 -3.236 1.00 1.52 H new ATOM 949 N ASN A 281 -6.318 -3.980 -7.317 1.00 0.18 N ATOM 950 CA ASN A 281 -7.271 -4.471 -8.300 1.00 0.25 C ATOM 951 C ASN A 281 -8.411 -3.465 -8.510 1.00 0.23 C ATOM 952 O ASN A 281 -9.572 -3.844 -8.670 1.00 0.32 O ATOM 953 CB ASN A 281 -7.826 -5.835 -7.865 1.00 0.33 C ATOM 954 CG ASN A 281 -6.736 -6.826 -7.464 1.00 0.48 C ATOM 955 OD1 ASN A 281 -5.516 -6.629 -7.958 1.00 1.04 O flip ATOM 956 ND2 ASN A 281 -6.988 -7.753 -6.690 1.00 0.69 N flip ATOM 0 H ASN A 281 -5.342 -4.077 -7.597 1.00 0.18 H new ATOM 0 HA ASN A 281 -6.752 -4.592 -9.251 1.00 0.25 H new ATOM 0 HB2 ASN A 281 -8.506 -5.693 -7.025 1.00 0.33 H new ATOM 0 HB3 ASN A 281 -8.412 -6.259 -8.681 1.00 0.33 H new ATOM 0 HD21 ASN A 281 -7.935 -7.874 -6.331 1.00 0.69 H new ATOM 0 HD22 ASN A 281 -6.249 -8.398 -6.409 1.00 0.69 H new ATOM 963 N GLY A 282 -8.057 -2.180 -8.536 1.00 0.17 N ATOM 964 CA GLY A 282 -9.022 -1.143 -8.814 1.00 0.18 C ATOM 965 C GLY A 282 -9.412 -0.290 -7.613 1.00 0.16 C ATOM 966 O GLY A 282 -10.226 0.622 -7.754 1.00 0.28 O ATOM 0 H GLY A 282 -7.109 -1.844 -8.367 1.00 0.17 H new ATOM 0 HA2 GLY A 282 -8.619 -0.491 -9.589 1.00 0.18 H new ATOM 0 HA3 GLY A 282 -9.922 -1.604 -9.221 1.00 0.18 H new ATOM 970 N LYS A 283 -8.846 -0.549 -6.439 1.00 0.10 N ATOM 971 CA LYS A 283 -8.932 0.427 -5.356 1.00 0.10 C ATOM 972 C LYS A 283 -7.629 1.143 -5.286 1.00 0.09 C ATOM 973 O LYS A 283 -6.587 0.545 -5.497 1.00 0.12 O ATOM 974 CB LYS A 283 -9.187 -0.147 -3.963 1.00 0.11 C ATOM 975 CG LYS A 283 -10.425 -1.011 -3.840 1.00 0.15 C ATOM 976 CD LYS A 283 -10.225 -2.373 -4.477 1.00 0.14 C ATOM 977 CE LYS A 283 -11.497 -3.179 -4.488 1.00 0.24 C ATOM 978 NZ LYS A 283 -11.424 -4.311 -5.448 1.00 0.38 N ATOM 0 H LYS A 283 -8.335 -1.403 -6.215 1.00 0.10 H new ATOM 0 HA LYS A 283 -9.789 1.056 -5.598 1.00 0.10 H new ATOM 0 HB2 LYS A 283 -8.320 -0.737 -3.666 1.00 0.11 H new ATOM 0 HB3 LYS A 283 -9.268 0.679 -3.256 1.00 0.11 H new ATOM 0 HG2 LYS A 283 -10.679 -1.135 -2.787 1.00 0.15 H new ATOM 0 HG3 LYS A 283 -11.268 -0.508 -4.314 1.00 0.15 H new ATOM 0 HD2 LYS A 283 -9.866 -2.247 -5.498 1.00 0.14 H new ATOM 0 HD3 LYS A 283 -9.454 -2.919 -3.933 1.00 0.14 H new ATOM 0 HE2 LYS A 283 -11.693 -3.563 -3.487 1.00 0.24 H new ATOM 0 HE3 LYS A 283 -12.335 -2.533 -4.751 1.00 0.24 H new ATOM 0 HZ1 LYS A 283 -12.318 -4.842 -5.427 1.00 0.38 H new ATOM 0 HZ2 LYS A 283 -11.262 -3.943 -6.407 1.00 0.38 H new ATOM 0 HZ3 LYS A 283 -10.640 -4.941 -5.183 1.00 0.38 H new ATOM 992 N ARG A 284 -7.680 2.405 -4.978 1.00 0.07 N ATOM 993 CA ARG A 284 -6.481 3.191 -4.880 1.00 0.09 C ATOM 994 C ARG A 284 -6.573 4.110 -3.692 1.00 0.11 C ATOM 995 O ARG A 284 -7.659 4.538 -3.315 1.00 0.13 O ATOM 996 CB ARG A 284 -6.258 3.994 -6.129 1.00 0.11 C ATOM 997 CG ARG A 284 -6.537 3.180 -7.355 1.00 0.20 C ATOM 998 CD ARG A 284 -5.945 3.820 -8.576 1.00 0.35 C ATOM 999 NE ARG A 284 -6.595 3.369 -9.801 1.00 0.68 N ATOM 1000 CZ ARG A 284 -6.388 3.914 -10.997 1.00 1.10 C ATOM 1001 NH1 ARG A 284 -5.492 4.883 -11.143 1.00 1.42 N ATOM 1002 NH2 ARG A 284 -7.071 3.483 -12.050 1.00 1.46 N ATOM 0 H ARG A 284 -8.542 2.916 -4.789 1.00 0.07 H new ATOM 0 HA ARG A 284 -5.636 2.514 -4.755 1.00 0.09 H new ATOM 0 HB2 ARG A 284 -6.902 4.873 -6.119 1.00 0.11 H new ATOM 0 HB3 ARG A 284 -5.229 4.353 -6.154 1.00 0.11 H new ATOM 0 HG2 ARG A 284 -6.126 2.178 -7.231 1.00 0.20 H new ATOM 0 HG3 ARG A 284 -7.614 3.070 -7.484 1.00 0.20 H new ATOM 0 HD2 ARG A 284 -6.034 4.903 -8.496 1.00 0.35 H new ATOM 0 HD3 ARG A 284 -4.881 3.591 -8.625 1.00 0.35 H new ATOM 0 HE ARG A 284 -7.248 2.588 -9.737 1.00 0.68 H new ATOM 0 HH11 ARG A 284 -4.960 5.212 -10.337 1.00 1.42 H new ATOM 0 HH12 ARG A 284 -5.336 5.299 -12.061 1.00 1.42 H new ATOM 0 HH21 ARG A 284 -7.755 2.734 -11.943 1.00 1.46 H new ATOM 0 HH22 ARG A 284 -6.912 3.901 -12.967 1.00 1.46 H new ATOM 1016 N GLY A 285 -5.443 4.423 -3.118 1.00 0.13 N ATOM 1017 CA GLY A 285 -5.454 5.191 -1.904 1.00 0.14 C ATOM 1018 C GLY A 285 -4.200 5.030 -1.092 1.00 0.15 C ATOM 1019 O GLY A 285 -3.292 4.350 -1.506 1.00 0.24 O ATOM 0 H GLY A 285 -4.519 4.164 -3.464 1.00 0.13 H new ATOM 0 HA2 GLY A 285 -5.588 6.245 -2.149 1.00 0.14 H new ATOM 0 HA3 GLY A 285 -6.311 4.893 -1.300 1.00 0.14 H new ATOM 1023 N HIS A 286 -4.162 5.611 0.089 1.00 0.11 N ATOM 1024 CA HIS A 286 -2.950 5.632 0.871 1.00 0.12 C ATOM 1025 C HIS A 286 -3.178 5.034 2.222 1.00 0.12 C ATOM 1026 O HIS A 286 -4.244 5.203 2.807 1.00 0.15 O ATOM 1027 CB HIS A 286 -2.421 7.055 1.016 1.00 0.14 C ATOM 1028 CG HIS A 286 -3.484 8.106 1.146 1.00 0.15 C ATOM 1029 ND1 HIS A 286 -4.198 8.332 2.304 1.00 0.21 N ATOM 1030 CD2 HIS A 286 -3.953 8.993 0.239 1.00 0.19 C ATOM 1031 CE1 HIS A 286 -5.060 9.313 2.102 1.00 0.25 C ATOM 1032 NE2 HIS A 286 -4.928 9.730 0.858 1.00 0.23 N ATOM 0 H HIS A 286 -4.959 6.074 0.526 1.00 0.11 H new ATOM 0 HA HIS A 286 -2.206 5.034 0.345 1.00 0.12 H new ATOM 0 HB2 HIS A 286 -1.774 7.101 1.892 1.00 0.14 H new ATOM 0 HB3 HIS A 286 -1.802 7.288 0.150 1.00 0.14 H new ATOM 0 HD2 HIS A 286 -3.621 9.100 -0.783 1.00 0.19 H new ATOM 0 HE1 HIS A 286 -5.754 9.706 2.831 1.00 0.25 H new ATOM 0 HE2 HIS A 286 -5.466 10.481 0.426 1.00 0.23 H new ATOM 1041 N PHE A 287 -2.142 4.385 2.721 1.00 0.10 N ATOM 1042 CA PHE A 287 -2.261 3.549 3.917 1.00 0.11 C ATOM 1043 C PHE A 287 -0.896 2.991 4.322 1.00 0.15 C ATOM 1044 O PHE A 287 -0.208 2.392 3.504 1.00 0.23 O ATOM 1045 CB PHE A 287 -3.208 2.362 3.658 1.00 0.12 C ATOM 1046 CG PHE A 287 -4.688 2.596 3.879 1.00 0.10 C ATOM 1047 CD1 PHE A 287 -5.169 3.357 4.936 1.00 0.12 C ATOM 1048 CD2 PHE A 287 -5.603 2.038 3.005 1.00 0.09 C ATOM 1049 CE1 PHE A 287 -6.526 3.551 5.104 1.00 0.13 C ATOM 1050 CE2 PHE A 287 -6.955 2.226 3.165 1.00 0.09 C ATOM 1051 CZ PHE A 287 -7.421 2.986 4.217 1.00 0.12 C ATOM 0 H PHE A 287 -1.204 4.416 2.321 1.00 0.10 H new ATOM 0 HA PHE A 287 -2.659 4.175 4.716 1.00 0.11 H new ATOM 0 HB2 PHE A 287 -3.068 2.037 2.627 1.00 0.12 H new ATOM 0 HB3 PHE A 287 -2.897 1.536 4.298 1.00 0.12 H new ATOM 0 HD1 PHE A 287 -4.475 3.802 5.634 1.00 0.12 H new ATOM 0 HD2 PHE A 287 -5.247 1.441 2.178 1.00 0.09 H new ATOM 0 HE1 PHE A 287 -6.888 4.145 5.930 1.00 0.13 H new ATOM 0 HE2 PHE A 287 -7.650 1.780 2.469 1.00 0.09 H new ATOM 0 HZ PHE A 287 -8.482 3.139 4.347 1.00 0.12 H new ATOM 1061 N PRO A 288 -0.492 3.179 5.589 1.00 0.17 N ATOM 1062 CA PRO A 288 0.783 2.670 6.124 1.00 0.23 C ATOM 1063 C PRO A 288 0.942 1.151 6.069 1.00 0.18 C ATOM 1064 O PRO A 288 0.011 0.404 5.745 1.00 0.16 O ATOM 1065 CB PRO A 288 0.762 3.122 7.591 1.00 0.35 C ATOM 1066 CG PRO A 288 -0.669 3.400 7.876 1.00 0.33 C ATOM 1067 CD PRO A 288 -1.209 3.960 6.601 1.00 0.23 C ATOM 0 HA PRO A 288 1.613 3.049 5.528 1.00 0.23 H new ATOM 0 HB2 PRO A 288 1.154 2.348 8.250 1.00 0.35 H new ATOM 0 HB3 PRO A 288 1.376 4.010 7.741 1.00 0.35 H new ATOM 0 HG2 PRO A 288 -1.199 2.492 8.165 1.00 0.33 H new ATOM 0 HG3 PRO A 288 -0.779 4.108 8.697 1.00 0.33 H new ATOM 0 HD2 PRO A 288 -2.289 3.831 6.525 1.00 0.23 H new ATOM 0 HD3 PRO A 288 -1.009 5.027 6.508 1.00 0.23 H new ATOM 1075 N PHE A 289 2.146 0.722 6.430 1.00 0.23 N ATOM 1076 CA PHE A 289 2.521 -0.698 6.461 1.00 0.26 C ATOM 1077 C PHE A 289 1.886 -1.407 7.641 1.00 0.23 C ATOM 1078 O PHE A 289 1.901 -2.633 7.714 1.00 0.26 O ATOM 1079 CB PHE A 289 4.035 -0.840 6.590 1.00 0.38 C ATOM 1080 CG PHE A 289 4.520 -2.263 6.612 1.00 0.29 C ATOM 1081 CD1 PHE A 289 4.504 -3.033 5.469 1.00 0.26 C ATOM 1082 CD2 PHE A 289 5.001 -2.819 7.782 1.00 0.32 C ATOM 1083 CE1 PHE A 289 4.960 -4.336 5.492 1.00 0.26 C ATOM 1084 CE2 PHE A 289 5.455 -4.121 7.813 1.00 0.31 C ATOM 1085 CZ PHE A 289 5.436 -4.880 6.664 1.00 0.26 C ATOM 0 H PHE A 289 2.899 1.349 6.712 1.00 0.23 H new ATOM 0 HA PHE A 289 2.170 -1.146 5.532 1.00 0.26 H new ATOM 0 HB2 PHE A 289 4.510 -0.319 5.759 1.00 0.38 H new ATOM 0 HB3 PHE A 289 4.359 -0.343 7.505 1.00 0.38 H new ATOM 0 HD1 PHE A 289 4.131 -2.613 4.546 1.00 0.26 H new ATOM 0 HD2 PHE A 289 5.022 -2.226 8.684 1.00 0.32 H new ATOM 0 HE1 PHE A 289 4.943 -4.929 4.590 1.00 0.26 H new ATOM 0 HE2 PHE A 289 5.824 -4.544 8.736 1.00 0.31 H new ATOM 0 HZ PHE A 289 5.793 -5.899 6.682 1.00 0.26 H new ATOM 1095 N THR A 290 1.313 -0.621 8.541 1.00 0.24 N ATOM 1096 CA THR A 290 0.822 -1.089 9.828 1.00 0.27 C ATOM 1097 C THR A 290 -0.199 -2.223 9.719 1.00 0.23 C ATOM 1098 O THR A 290 -0.705 -2.706 10.732 1.00 0.28 O ATOM 1099 CB THR A 290 0.191 0.086 10.581 1.00 0.36 C ATOM 1100 OG1 THR A 290 -0.683 0.802 9.699 1.00 0.62 O ATOM 1101 CG2 THR A 290 1.261 1.023 11.121 1.00 0.44 C ATOM 0 H THR A 290 1.174 0.379 8.394 1.00 0.24 H new ATOM 0 HA THR A 290 1.681 -1.491 10.365 1.00 0.27 H new ATOM 0 HB THR A 290 -0.377 -0.305 11.425 1.00 0.36 H new ATOM 0 HG1 THR A 290 -1.467 0.250 9.496 1.00 0.62 H new ATOM 0 HG21 THR A 290 0.787 1.849 11.651 1.00 0.44 H new ATOM 0 HG22 THR A 290 1.911 0.477 11.805 1.00 0.44 H new ATOM 0 HG23 THR A 290 1.853 1.415 10.294 1.00 0.44 H new ATOM 1109 N HIS A 291 -0.494 -2.666 8.504 1.00 0.17 N ATOM 1110 CA HIS A 291 -1.533 -3.642 8.305 1.00 0.16 C ATOM 1111 C HIS A 291 -1.446 -4.251 6.923 1.00 0.14 C ATOM 1112 O HIS A 291 -2.467 -4.532 6.289 1.00 0.13 O ATOM 1113 CB HIS A 291 -2.917 -3.041 8.557 1.00 0.20 C ATOM 1114 CG HIS A 291 -3.103 -1.611 8.123 1.00 0.30 C ATOM 1115 ND1 HIS A 291 -3.735 -0.582 8.736 1.00 0.40 N flip ATOM 1116 CD2 HIS A 291 -2.669 -1.120 6.909 1.00 0.94 C flip ATOM 1117 CE1 HIS A 291 -3.681 0.500 7.888 1.00 0.19 C flip ATOM 1118 NE2 HIS A 291 -3.030 0.147 6.797 1.00 0.77 N flip ATOM 0 H HIS A 291 -0.025 -2.361 7.651 1.00 0.17 H new ATOM 0 HA HIS A 291 -1.384 -4.439 9.033 1.00 0.16 H new ATOM 0 HB2 HIS A 291 -3.657 -3.655 8.044 1.00 0.20 H new ATOM 0 HB3 HIS A 291 -3.132 -3.107 9.624 1.00 0.20 H new ATOM 0 HD1 HIS A 291 -4.171 -0.605 9.658 1.00 0.40 H new ATOM 0 HD2 HIS A 291 -2.121 -1.682 6.167 1.00 0.94 H new ATOM 0 HE1 HIS A 291 -4.102 1.475 8.083 1.00 0.19 H new ATOM 1127 N VAL A 292 -0.223 -4.435 6.446 1.00 0.16 N ATOM 1128 CA VAL A 292 0.001 -5.256 5.271 1.00 0.15 C ATOM 1129 C VAL A 292 1.134 -6.223 5.480 1.00 0.19 C ATOM 1130 O VAL A 292 2.147 -5.918 6.108 1.00 0.22 O ATOM 1131 CB VAL A 292 0.298 -4.417 4.020 1.00 0.14 C ATOM 1132 CG1 VAL A 292 -0.913 -3.623 3.629 1.00 0.17 C ATOM 1133 CG2 VAL A 292 1.471 -3.488 4.252 1.00 0.31 C ATOM 0 H VAL A 292 0.620 -4.030 6.852 1.00 0.16 H new ATOM 0 HA VAL A 292 -0.927 -5.806 5.114 1.00 0.15 H new ATOM 0 HB VAL A 292 0.557 -5.100 3.210 1.00 0.14 H new ATOM 0 HG11 VAL A 292 -0.690 -3.032 2.741 1.00 0.17 H new ATOM 0 HG12 VAL A 292 -1.739 -4.301 3.416 1.00 0.17 H new ATOM 0 HG13 VAL A 292 -1.191 -2.958 4.446 1.00 0.17 H new ATOM 0 HG21 VAL A 292 1.659 -2.906 3.349 1.00 0.31 H new ATOM 0 HG22 VAL A 292 1.243 -2.814 5.078 1.00 0.31 H new ATOM 0 HG23 VAL A 292 2.357 -4.074 4.496 1.00 0.31 H new ATOM 1143 N ARG A 293 0.905 -7.400 4.970 1.00 0.22 N ATOM 1144 CA ARG A 293 1.947 -8.353 4.715 1.00 0.21 C ATOM 1145 C ARG A 293 2.352 -8.038 3.318 1.00 0.32 C ATOM 1146 O ARG A 293 1.599 -7.373 2.637 1.00 0.70 O ATOM 1147 CB ARG A 293 1.403 -9.768 4.735 1.00 0.19 C ATOM 1148 CG ARG A 293 0.268 -9.969 5.696 1.00 0.17 C ATOM 1149 CD ARG A 293 -0.526 -11.166 5.270 1.00 0.26 C ATOM 1150 NE ARG A 293 0.067 -12.420 5.737 1.00 0.27 N ATOM 1151 CZ ARG A 293 0.207 -13.521 4.996 1.00 0.52 C ATOM 1152 NH1 ARG A 293 -0.164 -13.529 3.724 1.00 1.09 N ATOM 1153 NH2 ARG A 293 0.739 -14.612 5.528 1.00 0.60 N ATOM 0 H ARG A 293 -0.026 -7.729 4.716 1.00 0.22 H new ATOM 0 HA ARG A 293 2.748 -8.296 5.452 1.00 0.21 H new ATOM 0 HB2 ARG A 293 1.068 -10.032 3.732 1.00 0.19 H new ATOM 0 HB3 ARG A 293 2.210 -10.454 4.993 1.00 0.19 H new ATOM 0 HG2 ARG A 293 0.651 -10.112 6.706 1.00 0.17 H new ATOM 0 HG3 ARG A 293 -0.368 -9.084 5.718 1.00 0.17 H new ATOM 0 HD2 ARG A 293 -1.542 -11.081 5.655 1.00 0.26 H new ATOM 0 HD3 ARG A 293 -0.598 -11.183 4.183 1.00 0.26 H new ATOM 0 HE ARG A 293 0.398 -12.455 6.701 1.00 0.27 H new ATOM 0 HH11 ARG A 293 -0.561 -12.689 3.303 1.00 1.09 H new ATOM 0 HH12 ARG A 293 -0.053 -14.375 3.166 1.00 1.09 H new ATOM 0 HH21 ARG A 293 1.041 -14.609 6.502 1.00 0.60 H new ATOM 0 HH22 ARG A 293 0.847 -15.454 4.963 1.00 0.60 H new ATOM 1167 N LEU A 294 3.498 -8.422 2.872 1.00 0.18 N ATOM 1168 CA LEU A 294 3.769 -8.218 1.472 1.00 0.18 C ATOM 1169 C LEU A 294 3.963 -9.500 0.684 1.00 0.21 C ATOM 1170 O LEU A 294 4.022 -10.610 1.219 1.00 0.30 O ATOM 1171 CB LEU A 294 4.964 -7.318 1.235 1.00 0.22 C ATOM 1172 CG LEU A 294 5.188 -6.195 2.249 1.00 0.30 C ATOM 1173 CD1 LEU A 294 6.371 -5.345 1.840 1.00 0.66 C ATOM 1174 CD2 LEU A 294 3.943 -5.340 2.391 1.00 0.58 C ATOM 0 H LEU A 294 4.239 -8.861 3.418 1.00 0.18 H new ATOM 0 HA LEU A 294 2.865 -7.731 1.105 1.00 0.18 H new ATOM 0 HB2 LEU A 294 5.859 -7.940 1.212 1.00 0.22 H new ATOM 0 HB3 LEU A 294 4.862 -6.869 0.247 1.00 0.22 H new ATOM 0 HG LEU A 294 5.402 -6.646 3.218 1.00 0.30 H new ATOM 0 HD11 LEU A 294 6.518 -4.550 2.571 1.00 0.66 H new ATOM 0 HD12 LEU A 294 7.266 -5.965 1.794 1.00 0.66 H new ATOM 0 HD13 LEU A 294 6.182 -4.906 0.860 1.00 0.66 H new ATOM 0 HD21 LEU A 294 4.126 -4.548 3.117 1.00 0.58 H new ATOM 0 HD22 LEU A 294 3.694 -4.897 1.427 1.00 0.58 H new ATOM 0 HD23 LEU A 294 3.113 -5.959 2.731 1.00 0.58 H new ATOM 1186 N LEU A 295 4.035 -9.279 -0.610 1.00 0.20 N ATOM 1187 CA LEU A 295 4.213 -10.256 -1.622 1.00 0.22 C ATOM 1188 C LEU A 295 5.298 -9.750 -2.562 1.00 0.28 C ATOM 1189 O LEU A 295 6.017 -8.812 -2.222 1.00 0.31 O ATOM 1190 CB LEU A 295 2.911 -10.357 -2.377 1.00 0.23 C ATOM 1191 CG LEU A 295 2.091 -11.617 -2.159 1.00 0.25 C ATOM 1192 CD1 LEU A 295 1.333 -11.487 -0.858 1.00 0.29 C ATOM 1193 CD2 LEU A 295 1.133 -11.847 -3.321 1.00 0.28 C ATOM 0 H LEU A 295 3.964 -8.337 -0.994 1.00 0.20 H new ATOM 0 HA LEU A 295 4.493 -11.226 -1.211 1.00 0.22 H new ATOM 0 HB2 LEU A 295 2.295 -9.499 -2.108 1.00 0.23 H new ATOM 0 HB3 LEU A 295 3.128 -10.272 -3.442 1.00 0.23 H new ATOM 0 HG LEU A 295 2.757 -12.479 -2.108 1.00 0.25 H new ATOM 0 HD11 LEU A 295 0.740 -12.386 -0.691 1.00 0.29 H new ATOM 0 HD12 LEU A 295 2.039 -11.360 -0.037 1.00 0.29 H new ATOM 0 HD13 LEU A 295 0.673 -10.621 -0.907 1.00 0.29 H new ATOM 0 HD21 LEU A 295 0.556 -12.755 -3.143 1.00 0.28 H new ATOM 0 HD22 LEU A 295 0.455 -10.998 -3.407 1.00 0.28 H new ATOM 0 HD23 LEU A 295 1.701 -11.953 -4.245 1.00 0.28 H new ATOM 1205 N ASP A 296 5.378 -10.314 -3.753 1.00 0.39 N ATOM 1206 CA ASP A 296 6.386 -9.897 -4.711 1.00 0.50 C ATOM 1207 C ASP A 296 6.017 -8.561 -5.355 1.00 0.73 C ATOM 1208 O ASP A 296 6.076 -7.525 -4.712 1.00 1.81 O ATOM 1209 CB ASP A 296 6.583 -10.973 -5.777 1.00 0.84 C ATOM 1210 CG ASP A 296 7.239 -12.219 -5.225 1.00 1.76 C ATOM 1211 OD1 ASP A 296 8.479 -12.228 -5.087 1.00 2.44 O ATOM 1212 OD2 ASP A 296 6.521 -13.195 -4.927 1.00 2.42 O ATOM 0 H ASP A 296 4.761 -11.058 -4.079 1.00 0.39 H new ATOM 0 HA ASP A 296 7.326 -9.760 -4.176 1.00 0.50 H new ATOM 0 HB2 ASP A 296 5.617 -11.235 -6.208 1.00 0.84 H new ATOM 0 HB3 ASP A 296 7.194 -10.572 -6.586 1.00 0.84 H new ATOM 1217 N GLN A 297 5.604 -8.598 -6.611 1.00 0.53 N ATOM 1218 CA GLN A 297 5.333 -7.393 -7.390 1.00 0.41 C ATOM 1219 C GLN A 297 4.590 -7.778 -8.663 1.00 0.64 C ATOM 1220 O GLN A 297 3.642 -7.071 -9.053 1.00 1.25 O ATOM 1221 CB GLN A 297 6.647 -6.696 -7.725 1.00 0.51 C ATOM 1222 CG GLN A 297 7.659 -7.555 -8.457 1.00 0.88 C ATOM 1223 CD GLN A 297 8.995 -6.857 -8.584 1.00 0.87 C ATOM 1224 OE1 GLN A 297 9.335 -6.048 -7.587 1.00 1.02 O flip ATOM 1225 NE2 GLN A 297 9.720 -7.050 -9.560 1.00 1.02 N flip ATOM 1226 OXT GLN A 297 4.934 -8.830 -9.240 1.00 1.41 O ATOM 0 H GLN A 297 5.446 -9.465 -7.124 1.00 0.53 H new ATOM 0 HA GLN A 297 4.714 -6.706 -6.813 1.00 0.41 H new ATOM 0 HB2 GLN A 297 6.430 -5.818 -8.333 1.00 0.51 H new ATOM 0 HB3 GLN A 297 7.098 -6.339 -6.799 1.00 0.51 H new ATOM 0 HG2 GLN A 297 7.790 -8.497 -7.925 1.00 0.88 H new ATOM 0 HG3 GLN A 297 7.280 -7.799 -9.449 1.00 0.88 H new ATOM 0 HE21 GLN A 297 9.418 -7.680 -10.303 1.00 1.02 H new ATOM 0 HE22 GLN A 297 10.623 -6.580 -9.626 1.00 1.02 H new