USER MOD reduce.3.24.130724 H: found=0, std=0, add=446, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 447 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.228 USER MOD Single : A 18 LYS NZ :NH3+ 165:sc= -0.0341 (180deg=-0.283) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.43 K(o=-1.4,f=-5.7!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 168:sc= -0.0337 (180deg=-0.243) USER MOD Single : A 31 ASN :FLIP amide:sc= -1.44 F(o=-4.1,f=-1.4) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -125:sc= -0.0994 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.73) USER MOD Single : A 54 LYS NZ :NH3+ -167:sc= -3.72! (180deg=-4.29!) USER MOD Single : A 58 GLN : amide:sc= 0.0726 K(o=0.073,f=-3.9!) USER MOD Single : A 59 ASN : amide:sc= 0.597 K(o=0.6,f=-0.0049) USER MOD Single : A 62 MET CE :methyl 134:sc= -0.277 (180deg=-1.14) USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 0.525 (180deg=0.495) USER MOD ----------------------------------------------------------------- ATOM 264 N TYR A 16 -3.010 8.286 1.363 1.00 0.00 N ATOM 265 CA TYR A 16 -2.670 6.882 1.444 1.00 0.00 C ATOM 266 C TYR A 16 -3.357 6.090 0.337 1.00 0.00 C ATOM 267 O TYR A 16 -4.202 6.619 -0.385 1.00 0.00 O ATOM 268 CB TYR A 16 -3.082 6.341 2.807 1.00 0.00 C ATOM 269 CG TYR A 16 -4.522 6.619 3.175 1.00 0.00 C ATOM 270 CD1 TYR A 16 -5.550 5.812 2.700 1.00 0.00 C ATOM 271 CD2 TYR A 16 -4.855 7.684 4.002 1.00 0.00 C ATOM 272 CE1 TYR A 16 -6.866 6.059 3.040 1.00 0.00 C ATOM 273 CE2 TYR A 16 -6.169 7.938 4.345 1.00 0.00 C ATOM 274 CZ TYR A 16 -7.170 7.123 3.861 1.00 0.00 C ATOM 275 OH TYR A 16 -8.481 7.374 4.201 1.00 0.00 O ATOM 0 HA TYR A 16 -1.593 6.774 1.317 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -2.916 5.264 2.823 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.434 6.775 3.569 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.316 4.978 2.055 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.074 8.324 4.383 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -7.653 5.421 2.664 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.411 8.771 4.989 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.523 8.159 4.786 1.00 0.00 H new ATOM 285 N THR A 17 -2.987 4.819 0.208 1.00 0.00 N ATOM 286 CA THR A 17 -3.572 3.954 -0.809 1.00 0.00 C ATOM 287 C THR A 17 -4.652 3.059 -0.208 1.00 0.00 C ATOM 288 O THR A 17 -4.707 2.869 1.007 1.00 0.00 O ATOM 289 CB THR A 17 -2.503 3.079 -1.491 1.00 0.00 C ATOM 290 OG1 THR A 17 -3.119 2.205 -2.444 1.00 0.00 O ATOM 291 CG2 THR A 17 -1.739 2.258 -0.465 1.00 0.00 C ATOM 0 H THR A 17 -2.286 4.367 0.795 1.00 0.00 H new ATOM 0 HA THR A 17 -4.021 4.604 -1.560 1.00 0.00 H new ATOM 0 HB THR A 17 -1.801 3.737 -2.002 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.432 1.654 -2.874 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.990 1.649 -0.971 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.246 2.926 0.242 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.432 1.610 0.071 1.00 0.00 H new ATOM 299 N LYS A 18 -5.505 2.510 -1.068 1.00 0.00 N ATOM 300 CA LYS A 18 -6.592 1.640 -0.624 1.00 0.00 C ATOM 301 C LYS A 18 -6.061 0.383 0.062 1.00 0.00 C ATOM 302 O LYS A 18 -6.742 -0.208 0.898 1.00 0.00 O ATOM 303 CB LYS A 18 -7.478 1.245 -1.809 1.00 0.00 C ATOM 304 CG LYS A 18 -8.377 2.367 -2.309 1.00 0.00 C ATOM 305 CD LYS A 18 -7.584 3.447 -3.026 1.00 0.00 C ATOM 306 CE LYS A 18 -8.486 4.571 -3.512 1.00 0.00 C ATOM 307 NZ LYS A 18 -9.206 5.230 -2.387 1.00 0.00 N ATOM 0 H LYS A 18 -5.465 2.652 -2.077 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.183 2.200 0.101 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.843 0.909 -2.629 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.099 0.397 -1.519 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.128 1.958 -2.985 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.912 2.807 -1.467 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.827 3.851 -2.354 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.056 3.010 -3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.889 5.311 -4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.210 4.174 -4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.604 6.134 -2.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.975 4.612 -2.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.543 5.405 -1.605 1.00 0.00 H new ATOM 321 N TYR A 19 -4.844 -0.017 -0.291 1.00 0.00 N ATOM 322 CA TYR A 19 -4.233 -1.207 0.284 1.00 0.00 C ATOM 323 C TYR A 19 -3.758 -0.955 1.712 1.00 0.00 C ATOM 324 O TYR A 19 -4.153 -1.657 2.643 1.00 0.00 O ATOM 325 CB TYR A 19 -3.061 -1.651 -0.586 1.00 0.00 C ATOM 326 CG TYR A 19 -3.334 -2.915 -1.366 1.00 0.00 C ATOM 327 CD1 TYR A 19 -3.257 -4.160 -0.756 1.00 0.00 C ATOM 328 CD2 TYR A 19 -3.668 -2.863 -2.713 1.00 0.00 C ATOM 329 CE1 TYR A 19 -3.507 -5.319 -1.466 1.00 0.00 C ATOM 330 CE2 TYR A 19 -3.920 -4.016 -3.430 1.00 0.00 C ATOM 331 CZ TYR A 19 -3.839 -5.242 -2.803 1.00 0.00 C ATOM 332 OH TYR A 19 -4.088 -6.392 -3.514 1.00 0.00 O ATOM 0 H TYR A 19 -4.261 0.467 -0.974 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.985 -1.995 0.317 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.812 -0.850 -1.283 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.187 -1.806 0.047 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.997 -4.224 0.290 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.732 -1.905 -3.208 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.443 -6.280 -0.977 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.179 -3.958 -4.477 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.309 -6.162 -4.441 1.00 0.00 H new ATOM 342 N GLN A 20 -2.905 0.050 1.869 1.00 0.00 N ATOM 343 CA GLN A 20 -2.354 0.412 3.174 1.00 0.00 C ATOM 344 C GLN A 20 -3.445 0.556 4.235 1.00 0.00 C ATOM 345 O GLN A 20 -3.334 -0.001 5.327 1.00 0.00 O ATOM 346 CB GLN A 20 -1.565 1.719 3.064 1.00 0.00 C ATOM 347 CG GLN A 20 -0.178 1.552 2.465 1.00 0.00 C ATOM 348 CD GLN A 20 0.732 0.700 3.330 1.00 0.00 C ATOM 349 OE1 GLN A 20 0.809 -0.516 3.161 1.00 0.00 O ATOM 350 NE2 GLN A 20 1.427 1.339 4.264 1.00 0.00 N ATOM 0 H GLN A 20 -2.576 0.636 1.101 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.691 -0.395 3.486 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.131 2.424 2.455 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.471 2.160 4.056 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.265 1.098 1.478 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.274 2.534 2.325 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.332 2.349 4.369 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.056 0.820 4.877 1.00 0.00 H new ATOM 359 N THR A 21 -4.495 1.301 3.909 1.00 0.00 N ATOM 360 CA THR A 21 -5.592 1.531 4.846 1.00 0.00 C ATOM 361 C THR A 21 -6.462 0.290 5.037 1.00 0.00 C ATOM 362 O THR A 21 -7.120 0.144 6.064 1.00 0.00 O ATOM 363 CB THR A 21 -6.487 2.694 4.378 1.00 0.00 C ATOM 364 OG1 THR A 21 -7.518 2.939 5.345 1.00 0.00 O ATOM 365 CG2 THR A 21 -7.117 2.380 3.030 1.00 0.00 C ATOM 0 H THR A 21 -4.611 1.757 3.004 1.00 0.00 H new ATOM 0 HA THR A 21 -5.127 1.781 5.800 1.00 0.00 H new ATOM 0 HB THR A 21 -5.866 3.584 4.275 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.082 3.681 5.041 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.745 3.215 2.719 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.333 2.220 2.290 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.726 1.480 3.114 1.00 0.00 H new ATOM 373 N LEU A 22 -6.463 -0.598 4.050 1.00 0.00 N ATOM 374 CA LEU A 22 -7.267 -1.813 4.114 1.00 0.00 C ATOM 375 C LEU A 22 -6.716 -2.800 5.144 1.00 0.00 C ATOM 376 O LEU A 22 -7.474 -3.403 5.903 1.00 0.00 O ATOM 377 CB LEU A 22 -7.327 -2.461 2.724 1.00 0.00 C ATOM 378 CG LEU A 22 -7.324 -3.991 2.699 1.00 0.00 C ATOM 379 CD1 LEU A 22 -8.636 -4.543 3.236 1.00 0.00 C ATOM 380 CD2 LEU A 22 -7.067 -4.498 1.288 1.00 0.00 C ATOM 0 H LEU A 22 -5.916 -0.500 3.195 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.274 -1.542 4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.227 -2.110 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.477 -2.106 2.142 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.519 -4.342 3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.611 -5.632 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.778 -4.209 4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.461 -4.184 2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.068 -5.588 1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.850 -4.134 0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.099 -4.136 0.942 1.00 0.00 H new ATOM 392 N GLU A 23 -5.399 -2.958 5.167 1.00 0.00 N ATOM 393 CA GLU A 23 -4.753 -3.891 6.088 1.00 0.00 C ATOM 394 C GLU A 23 -4.574 -3.291 7.485 1.00 0.00 C ATOM 395 O GLU A 23 -4.792 -3.967 8.495 1.00 0.00 O ATOM 396 CB GLU A 23 -3.397 -4.316 5.519 1.00 0.00 C ATOM 397 CG GLU A 23 -3.499 -5.346 4.407 1.00 0.00 C ATOM 398 CD GLU A 23 -4.049 -6.674 4.888 1.00 0.00 C ATOM 399 OE1 GLU A 23 -5.287 -6.810 4.970 1.00 0.00 O ATOM 400 OE2 GLU A 23 -3.239 -7.577 5.186 1.00 0.00 O ATOM 0 H GLU A 23 -4.755 -2.453 4.559 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.401 -4.761 6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.879 -3.435 5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.786 -4.723 6.325 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.140 -4.958 3.615 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.512 -5.503 3.971 1.00 0.00 H new ATOM 407 N LEU A 24 -4.184 -2.022 7.541 1.00 0.00 N ATOM 408 CA LEU A 24 -3.960 -1.351 8.818 1.00 0.00 C ATOM 409 C LEU A 24 -5.256 -1.166 9.603 1.00 0.00 C ATOM 410 O LEU A 24 -5.243 -1.183 10.833 1.00 0.00 O ATOM 411 CB LEU A 24 -3.282 0.004 8.599 1.00 0.00 C ATOM 412 CG LEU A 24 -1.858 -0.059 8.038 1.00 0.00 C ATOM 413 CD1 LEU A 24 -1.284 1.341 7.890 1.00 0.00 C ATOM 414 CD2 LEU A 24 -0.963 -0.912 8.928 1.00 0.00 C ATOM 0 H LEU A 24 -4.017 -1.439 6.721 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.304 -1.991 9.408 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.897 0.594 7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.257 0.537 9.549 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.899 -0.523 7.053 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.272 1.279 7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.908 1.920 7.209 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.260 1.829 8.864 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.043 -0.942 8.510 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.927 -0.481 9.928 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.364 -1.924 8.983 1.00 0.00 H new ATOM 426 N GLU A 25 -6.371 -0.990 8.900 1.00 0.00 N ATOM 427 CA GLU A 25 -7.660 -0.800 9.563 1.00 0.00 C ATOM 428 C GLU A 25 -8.137 -2.094 10.214 1.00 0.00 C ATOM 429 O GLU A 25 -8.894 -2.069 11.185 1.00 0.00 O ATOM 430 CB GLU A 25 -8.713 -0.301 8.569 1.00 0.00 C ATOM 431 CG GLU A 25 -9.180 -1.361 7.585 1.00 0.00 C ATOM 432 CD GLU A 25 -10.260 -0.853 6.650 1.00 0.00 C ATOM 433 OE1 GLU A 25 -11.446 -0.882 7.042 1.00 0.00 O ATOM 434 OE2 GLU A 25 -9.921 -0.427 5.527 1.00 0.00 O ATOM 0 H GLU A 25 -6.410 -0.975 7.881 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.524 -0.049 10.341 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.575 0.071 9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.303 0.542 8.013 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.329 -1.706 6.998 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.557 -2.222 8.136 1.00 0.00 H new ATOM 441 N LYS A 26 -7.689 -3.224 9.675 1.00 0.00 N ATOM 442 CA LYS A 26 -8.076 -4.528 10.202 1.00 0.00 C ATOM 443 C LYS A 26 -7.431 -4.789 11.559 1.00 0.00 C ATOM 444 O LYS A 26 -8.080 -5.294 12.474 1.00 0.00 O ATOM 445 CB LYS A 26 -7.692 -5.632 9.217 1.00 0.00 C ATOM 446 CG LYS A 26 -8.478 -5.589 7.917 1.00 0.00 C ATOM 447 CD LYS A 26 -9.943 -5.927 8.138 1.00 0.00 C ATOM 448 CE LYS A 26 -10.733 -5.862 6.841 1.00 0.00 C ATOM 449 NZ LYS A 26 -10.186 -6.789 5.811 1.00 0.00 N ATOM 0 H LYS A 26 -7.058 -3.263 8.874 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.158 -4.529 10.335 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.629 -5.552 8.991 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.845 -6.601 9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.396 -4.596 7.474 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.045 -6.292 7.206 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.026 -6.926 8.566 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.372 -5.234 8.861 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.775 -6.112 7.038 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.717 -4.842 6.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.860 -6.869 5.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.281 -6.419 5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.035 -7.727 6.234 1.00 0.00 H new ATOM 463 N GLU A 27 -6.152 -4.447 11.683 1.00 0.00 N ATOM 464 CA GLU A 27 -5.431 -4.652 12.937 1.00 0.00 C ATOM 465 C GLU A 27 -5.648 -3.484 13.896 1.00 0.00 C ATOM 466 O GLU A 27 -5.573 -3.647 15.112 1.00 0.00 O ATOM 467 CB GLU A 27 -3.938 -4.844 12.667 1.00 0.00 C ATOM 468 CG GLU A 27 -3.284 -3.661 11.973 1.00 0.00 C ATOM 469 CD GLU A 27 -1.864 -3.957 11.535 1.00 0.00 C ATOM 470 OE1 GLU A 27 -0.997 -4.139 12.415 1.00 0.00 O ATOM 471 OE2 GLU A 27 -1.620 -4.012 10.312 1.00 0.00 O ATOM 0 H GLU A 27 -5.596 -4.029 10.937 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.825 -5.553 13.407 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.428 -5.026 13.613 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.801 -5.735 12.054 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.878 -3.381 11.103 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.282 -2.804 12.647 1.00 0.00 H new ATOM 478 N PHE A 28 -5.923 -2.310 13.337 1.00 0.00 N ATOM 479 CA PHE A 28 -6.159 -1.106 14.134 1.00 0.00 C ATOM 480 C PHE A 28 -7.244 -1.349 15.181 1.00 0.00 C ATOM 481 O PHE A 28 -7.324 -0.639 16.184 1.00 0.00 O ATOM 482 CB PHE A 28 -6.559 0.061 13.227 1.00 0.00 C ATOM 483 CG PHE A 28 -6.758 1.359 13.958 1.00 0.00 C ATOM 484 CD1 PHE A 28 -5.673 2.145 14.311 1.00 0.00 C ATOM 485 CD2 PHE A 28 -8.032 1.794 14.290 1.00 0.00 C ATOM 486 CE1 PHE A 28 -5.853 3.340 14.982 1.00 0.00 C ATOM 487 CE2 PHE A 28 -8.218 2.988 14.963 1.00 0.00 C ATOM 488 CZ PHE A 28 -7.127 3.762 15.309 1.00 0.00 C ATOM 0 H PHE A 28 -5.989 -2.164 12.330 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.233 -0.855 14.650 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.790 0.198 12.467 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -7.481 -0.196 12.706 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.674 1.820 14.059 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.888 1.194 14.020 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.998 3.943 15.250 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.215 3.315 15.218 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.270 4.695 15.834 1.00 0.00 H new ATOM 498 N LEU A 29 -8.080 -2.351 14.934 1.00 0.00 N ATOM 499 CA LEU A 29 -9.174 -2.680 15.840 1.00 0.00 C ATOM 500 C LEU A 29 -8.657 -3.075 17.213 1.00 0.00 C ATOM 501 O LEU A 29 -8.986 -2.449 18.221 1.00 0.00 O ATOM 502 CB LEU A 29 -10.019 -3.814 15.255 1.00 0.00 C ATOM 503 CG LEU A 29 -10.398 -3.655 13.780 1.00 0.00 C ATOM 504 CD1 LEU A 29 -11.281 -4.809 13.331 1.00 0.00 C ATOM 505 CD2 LEU A 29 -11.097 -2.324 13.541 1.00 0.00 C ATOM 0 H LEU A 29 -8.021 -2.951 14.111 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.792 -1.790 15.955 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.473 -4.750 15.374 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.934 -3.902 15.841 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.482 -3.669 13.189 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.541 -4.681 12.280 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.745 -5.749 13.460 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.191 -4.826 13.931 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -11.357 -2.234 12.486 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.004 -2.276 14.143 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.431 -1.508 13.822 1.00 0.00 H new ATOM 517 N PHE A 30 -7.851 -4.119 17.238 1.00 0.00 N ATOM 518 CA PHE A 30 -7.287 -4.626 18.484 1.00 0.00 C ATOM 519 C PHE A 30 -5.813 -4.254 18.613 1.00 0.00 C ATOM 520 O PHE A 30 -5.398 -3.662 19.608 1.00 0.00 O ATOM 521 CB PHE A 30 -7.458 -6.148 18.550 1.00 0.00 C ATOM 522 CG PHE A 30 -7.504 -6.703 19.947 1.00 0.00 C ATOM 523 CD1 PHE A 30 -8.384 -6.189 20.889 1.00 0.00 C ATOM 524 CD2 PHE A 30 -6.675 -7.752 20.316 1.00 0.00 C ATOM 525 CE1 PHE A 30 -8.433 -6.707 22.169 1.00 0.00 C ATOM 526 CE2 PHE A 30 -6.720 -8.273 21.595 1.00 0.00 C ATOM 527 CZ PHE A 30 -7.600 -7.750 22.523 1.00 0.00 C ATOM 0 H PHE A 30 -7.568 -4.638 16.407 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.822 -4.167 19.315 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.377 -6.422 18.032 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.636 -6.619 18.011 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.039 -5.374 20.618 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.986 -8.167 19.595 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.122 -6.297 22.892 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.068 -9.089 21.869 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.636 -8.156 23.523 1.00 0.00 H new ATOM 537 N ASN A 31 -5.045 -4.591 17.582 1.00 0.00 N ATOM 538 CA ASN A 31 -3.600 -4.324 17.534 1.00 0.00 C ATOM 539 C ASN A 31 -2.920 -4.512 18.893 1.00 0.00 C ATOM 540 O ASN A 31 -1.891 -3.895 19.167 1.00 0.00 O ATOM 541 CB ASN A 31 -3.333 -2.909 17.023 1.00 0.00 C ATOM 542 CG ASN A 31 -4.008 -1.851 17.870 1.00 0.00 C ATOM 543 OD1 ASN A 31 -5.257 -1.546 17.543 1.00 0.00 O flip ATOM 544 ND2 ASN A 31 -3.417 -1.319 18.809 1.00 0.00 N flip ATOM 0 H ASN A 31 -5.403 -5.059 16.750 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.173 -5.054 16.846 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.258 -2.728 17.009 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.684 -2.825 15.994 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.456 -1.586 19.024 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.888 -0.611 19.373 1.00 0.00 H new ATOM 551 N MET A 32 -3.485 -5.371 19.735 1.00 0.00 N ATOM 552 CA MET A 32 -2.922 -5.627 21.050 1.00 0.00 C ATOM 553 C MET A 32 -1.902 -6.757 20.993 1.00 0.00 C ATOM 554 O MET A 32 -1.108 -6.940 21.916 1.00 0.00 O ATOM 555 CB MET A 32 -4.036 -5.979 22.030 1.00 0.00 C ATOM 556 CG MET A 32 -4.847 -4.780 22.495 1.00 0.00 C ATOM 557 SD MET A 32 -3.836 -3.530 23.311 1.00 0.00 S ATOM 558 CE MET A 32 -5.073 -2.297 23.705 1.00 0.00 C ATOM 0 H MET A 32 -4.332 -5.900 19.528 1.00 0.00 H new ATOM 0 HA MET A 32 -2.414 -4.724 21.390 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.706 -6.699 21.560 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.600 -6.470 22.900 1.00 0.00 H new ATOM 0 HG2 MET A 32 -5.350 -4.332 21.638 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.625 -5.116 23.180 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.600 -1.458 24.215 1.00 0.00 H new ATOM 0 HE2 MET A 32 -5.542 -1.946 22.786 1.00 0.00 H new ATOM 0 HE3 MET A 32 -5.831 -2.736 24.354 1.00 0.00 H new ATOM 568 N TYR A 33 -1.929 -7.505 19.894 1.00 0.00 N ATOM 569 CA TYR A 33 -1.017 -8.627 19.698 1.00 0.00 C ATOM 570 C TYR A 33 -1.232 -9.254 18.326 1.00 0.00 C ATOM 571 O TYR A 33 -2.358 -9.311 17.832 1.00 0.00 O ATOM 572 CB TYR A 33 -1.222 -9.680 20.791 1.00 0.00 C ATOM 573 CG TYR A 33 -0.297 -10.870 20.671 1.00 0.00 C ATOM 574 CD1 TYR A 33 1.006 -10.813 21.151 1.00 0.00 C ATOM 575 CD2 TYR A 33 -0.726 -12.050 20.078 1.00 0.00 C ATOM 576 CE1 TYR A 33 1.855 -11.898 21.043 1.00 0.00 C ATOM 577 CE2 TYR A 33 0.115 -13.141 19.967 1.00 0.00 C ATOM 578 CZ TYR A 33 1.405 -13.059 20.450 1.00 0.00 C ATOM 579 OH TYR A 33 2.247 -14.142 20.340 1.00 0.00 O ATOM 0 H TYR A 33 -2.577 -7.353 19.121 1.00 0.00 H new ATOM 0 HA TYR A 33 0.005 -8.252 19.758 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.074 -9.213 21.765 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.254 -10.029 20.758 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.361 -9.905 21.616 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.734 -12.116 19.697 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.865 -11.837 21.421 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.235 -14.052 19.505 1.00 0.00 H new ATOM 0 HH TYR A 33 1.775 -14.880 19.899 1.00 0.00 H new ATOM 589 N LEU A 34 -0.150 -9.720 17.710 1.00 0.00 N ATOM 590 CA LEU A 34 -0.234 -10.339 16.393 1.00 0.00 C ATOM 591 C LEU A 34 0.753 -11.497 16.269 1.00 0.00 C ATOM 592 O LEU A 34 1.731 -11.574 17.013 1.00 0.00 O ATOM 593 CB LEU A 34 0.039 -9.300 15.305 1.00 0.00 C ATOM 594 CG LEU A 34 -0.643 -9.569 13.963 1.00 0.00 C ATOM 595 CD1 LEU A 34 -2.154 -9.456 14.101 1.00 0.00 C ATOM 596 CD2 LEU A 34 -0.130 -8.607 12.901 1.00 0.00 C ATOM 0 H LEU A 34 0.792 -9.681 18.100 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.242 -10.734 16.267 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.282 -8.324 15.668 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.115 -9.242 15.142 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.401 -10.585 13.651 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.623 -9.650 13.136 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.508 -10.185 14.830 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.415 -8.452 14.435 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.626 -8.813 11.953 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.341 -7.582 13.206 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.946 -8.736 12.783 1.00 0.00 H new ATOM 608 N THR A 35 0.489 -12.394 15.324 1.00 0.00 N ATOM 609 CA THR A 35 1.355 -13.547 15.099 1.00 0.00 C ATOM 610 C THR A 35 2.205 -13.358 13.849 1.00 0.00 C ATOM 611 O THR A 35 1.863 -12.569 12.967 1.00 0.00 O ATOM 612 CB THR A 35 0.540 -14.848 14.963 1.00 0.00 C ATOM 613 OG1 THR A 35 1.410 -15.940 14.637 1.00 0.00 O ATOM 614 CG2 THR A 35 -0.532 -14.710 13.893 1.00 0.00 C ATOM 0 H THR A 35 -0.318 -12.345 14.702 1.00 0.00 H new ATOM 0 HA THR A 35 2.006 -13.628 15.970 1.00 0.00 H new ATOM 0 HB THR A 35 0.052 -15.044 15.918 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.095 -16.376 13.817 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.093 -15.642 13.817 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.210 -13.899 14.160 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.063 -14.490 12.934 1.00 0.00 H new ATOM 622 N ARG A 36 3.316 -14.086 13.778 1.00 0.00 N ATOM 623 CA ARG A 36 4.218 -14.000 12.635 1.00 0.00 C ATOM 624 C ARG A 36 3.494 -14.367 11.347 1.00 0.00 C ATOM 625 O ARG A 36 3.737 -13.778 10.294 1.00 0.00 O ATOM 626 CB ARG A 36 5.413 -14.931 12.834 1.00 0.00 C ATOM 627 CG ARG A 36 6.528 -14.716 11.822 1.00 0.00 C ATOM 628 CD ARG A 36 7.717 -15.624 12.094 1.00 0.00 C ATOM 629 NE ARG A 36 8.766 -15.467 11.090 1.00 0.00 N ATOM 630 CZ ARG A 36 10.006 -15.925 11.241 1.00 0.00 C ATOM 631 NH1 ARG A 36 10.354 -16.555 12.354 1.00 0.00 N ATOM 632 NH2 ARG A 36 10.902 -15.750 10.279 1.00 0.00 N ATOM 0 H ARG A 36 3.613 -14.743 14.500 1.00 0.00 H new ATOM 0 HA ARG A 36 4.571 -12.971 12.558 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.812 -14.787 13.838 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.072 -15.964 12.772 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.149 -14.904 10.817 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.851 -13.675 11.852 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.124 -15.403 13.081 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.384 -16.662 12.111 1.00 0.00 H new ATOM 0 HE ARG A 36 8.535 -14.979 10.225 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.670 -16.690 13.099 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.306 -16.905 12.466 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.641 -15.263 9.421 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.852 -16.102 10.397 1.00 0.00 H new ATOM 646 N ASP A 37 2.605 -15.348 11.445 1.00 0.00 N ATOM 647 CA ASP A 37 1.839 -15.809 10.290 1.00 0.00 C ATOM 648 C ASP A 37 1.036 -14.669 9.669 1.00 0.00 C ATOM 649 O ASP A 37 0.874 -14.606 8.450 1.00 0.00 O ATOM 650 CB ASP A 37 0.897 -16.943 10.694 1.00 0.00 C ATOM 651 CG ASP A 37 1.638 -18.136 11.265 1.00 0.00 C ATOM 652 OD1 ASP A 37 2.050 -19.013 10.476 1.00 0.00 O ATOM 653 OD2 ASP A 37 1.807 -18.194 12.501 1.00 0.00 O ATOM 0 H ASP A 37 2.395 -15.841 12.313 1.00 0.00 H new ATOM 0 HA ASP A 37 2.547 -16.176 9.547 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.185 -16.574 11.432 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.320 -17.259 9.825 1.00 0.00 H new ATOM 658 N ARG A 38 0.537 -13.772 10.512 1.00 0.00 N ATOM 659 CA ARG A 38 -0.251 -12.640 10.041 1.00 0.00 C ATOM 660 C ARG A 38 0.653 -11.544 9.487 1.00 0.00 C ATOM 661 O ARG A 38 0.379 -10.980 8.431 1.00 0.00 O ATOM 662 CB ARG A 38 -1.119 -12.087 11.175 1.00 0.00 C ATOM 663 CG ARG A 38 -2.060 -10.970 10.743 1.00 0.00 C ATOM 664 CD ARG A 38 -3.056 -11.447 9.698 1.00 0.00 C ATOM 665 NE ARG A 38 -4.012 -10.403 9.333 1.00 0.00 N ATOM 666 CZ ARG A 38 -5.185 -10.646 8.754 1.00 0.00 C ATOM 667 NH1 ARG A 38 -5.554 -11.893 8.494 1.00 0.00 N ATOM 668 NH2 ARG A 38 -5.993 -9.642 8.439 1.00 0.00 N ATOM 0 H ARG A 38 0.664 -13.807 11.523 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.901 -12.988 9.238 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.707 -12.901 11.599 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.470 -11.716 11.968 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.598 -10.591 11.612 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.479 -10.140 10.340 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.518 -11.773 8.808 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.595 -12.314 10.080 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.766 -9.434 9.534 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.938 -12.669 8.738 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.454 -12.077 8.050 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.715 -8.681 8.641 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.892 -9.831 7.995 1.00 0.00 H new ATOM 682 N ARG A 39 1.731 -11.249 10.204 1.00 0.00 N ATOM 683 CA ARG A 39 2.677 -10.224 9.774 1.00 0.00 C ATOM 684 C ARG A 39 3.216 -10.543 8.383 1.00 0.00 C ATOM 685 O ARG A 39 3.568 -9.643 7.622 1.00 0.00 O ATOM 686 CB ARG A 39 3.833 -10.117 10.770 1.00 0.00 C ATOM 687 CG ARG A 39 3.386 -9.766 12.179 1.00 0.00 C ATOM 688 CD ARG A 39 4.536 -9.849 13.167 1.00 0.00 C ATOM 689 NE ARG A 39 4.096 -9.613 14.539 1.00 0.00 N ATOM 690 CZ ARG A 39 4.583 -10.261 15.592 1.00 0.00 C ATOM 691 NH1 ARG A 39 5.514 -11.192 15.432 1.00 0.00 N ATOM 692 NH2 ARG A 39 4.136 -9.979 16.809 1.00 0.00 N ATOM 0 H ARG A 39 1.972 -11.704 11.085 1.00 0.00 H new ATOM 0 HA ARG A 39 2.154 -9.269 9.736 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.371 -11.064 10.793 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.535 -9.360 10.420 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.969 -8.759 12.189 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.590 -10.444 12.488 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.002 -10.832 13.100 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.298 -9.117 12.899 1.00 0.00 H new ATOM 0 HE ARG A 39 3.374 -8.911 14.698 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.859 -11.413 14.498 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.885 -11.687 16.243 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.419 -9.265 16.936 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.510 -10.476 17.617 1.00 0.00 H new ATOM 706 N TYR A 40 3.266 -11.831 8.060 1.00 0.00 N ATOM 707 CA TYR A 40 3.767 -12.281 6.766 1.00 0.00 C ATOM 708 C TYR A 40 2.768 -11.977 5.650 1.00 0.00 C ATOM 709 O TYR A 40 3.095 -11.294 4.681 1.00 0.00 O ATOM 710 CB TYR A 40 4.052 -13.784 6.807 1.00 0.00 C ATOM 711 CG TYR A 40 5.142 -14.232 5.857 1.00 0.00 C ATOM 712 CD1 TYR A 40 5.085 -13.928 4.501 1.00 0.00 C ATOM 713 CD2 TYR A 40 6.232 -14.961 6.318 1.00 0.00 C ATOM 714 CE1 TYR A 40 6.081 -14.337 3.635 1.00 0.00 C ATOM 715 CE2 TYR A 40 7.232 -15.373 5.458 1.00 0.00 C ATOM 716 CZ TYR A 40 7.151 -15.059 4.119 1.00 0.00 C ATOM 717 OH TYR A 40 8.146 -15.468 3.260 1.00 0.00 O ATOM 0 H TYR A 40 2.965 -12.584 8.679 1.00 0.00 H new ATOM 0 HA TYR A 40 4.690 -11.740 6.557 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.333 -14.062 7.823 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.135 -14.324 6.571 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.248 -13.363 4.118 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.298 -15.210 7.367 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.022 -14.092 2.585 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.072 -15.938 5.833 1.00 0.00 H new ATOM 0 HH TYR A 40 8.827 -15.965 3.761 1.00 0.00 H new ATOM 727 N GLU A 41 1.551 -12.494 5.796 1.00 0.00 N ATOM 728 CA GLU A 41 0.508 -12.293 4.795 1.00 0.00 C ATOM 729 C GLU A 41 0.218 -10.810 4.574 1.00 0.00 C ATOM 730 O GLU A 41 0.083 -10.360 3.436 1.00 0.00 O ATOM 731 CB GLU A 41 -0.771 -13.029 5.202 1.00 0.00 C ATOM 732 CG GLU A 41 -1.336 -12.585 6.540 1.00 0.00 C ATOM 733 CD GLU A 41 -2.609 -13.323 6.905 1.00 0.00 C ATOM 734 OE1 GLU A 41 -3.700 -12.851 6.519 1.00 0.00 O ATOM 735 OE2 GLU A 41 -2.516 -14.371 7.578 1.00 0.00 O ATOM 0 H GLU A 41 1.263 -13.055 6.598 1.00 0.00 H new ATOM 0 HA GLU A 41 0.871 -12.704 3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.527 -12.878 4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.566 -14.099 5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.590 -12.747 7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.537 -11.514 6.509 1.00 0.00 H new ATOM 742 N VAL A 42 0.121 -10.052 5.663 1.00 0.00 N ATOM 743 CA VAL A 42 -0.155 -8.621 5.574 1.00 0.00 C ATOM 744 C VAL A 42 1.015 -7.871 4.943 1.00 0.00 C ATOM 745 O VAL A 42 0.842 -6.786 4.390 1.00 0.00 O ATOM 746 CB VAL A 42 -0.466 -8.011 6.958 1.00 0.00 C ATOM 747 CG1 VAL A 42 -1.574 -8.788 7.650 1.00 0.00 C ATOM 748 CG2 VAL A 42 0.786 -7.961 7.823 1.00 0.00 C ATOM 0 H VAL A 42 0.229 -10.403 6.614 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.035 -8.512 4.940 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.811 -6.988 6.809 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.778 -8.342 8.623 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.477 -8.756 7.040 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.263 -9.824 7.784 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.541 -7.527 8.793 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.171 -8.971 7.964 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.543 -7.349 7.333 1.00 0.00 H new ATOM 758 N ALA A 43 2.206 -8.457 5.030 1.00 0.00 N ATOM 759 CA ALA A 43 3.404 -7.844 4.468 1.00 0.00 C ATOM 760 C ALA A 43 3.511 -8.127 2.975 1.00 0.00 C ATOM 761 O ALA A 43 4.121 -7.362 2.228 1.00 0.00 O ATOM 762 CB ALA A 43 4.640 -8.352 5.191 1.00 0.00 C ATOM 0 H ALA A 43 2.366 -9.356 5.485 1.00 0.00 H new ATOM 0 HA ALA A 43 3.333 -6.765 4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.528 -7.888 4.763 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.572 -8.099 6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.707 -9.434 5.080 1.00 0.00 H new ATOM 768 N ARG A 44 2.914 -9.233 2.550 1.00 0.00 N ATOM 769 CA ARG A 44 2.936 -9.633 1.151 1.00 0.00 C ATOM 770 C ARG A 44 1.966 -8.795 0.326 1.00 0.00 C ATOM 771 O ARG A 44 2.197 -8.543 -0.857 1.00 0.00 O ATOM 772 CB ARG A 44 2.575 -11.112 1.034 1.00 0.00 C ATOM 773 CG ARG A 44 3.669 -12.049 1.512 1.00 0.00 C ATOM 774 CD ARG A 44 3.158 -13.475 1.646 1.00 0.00 C ATOM 775 NE ARG A 44 2.604 -13.981 0.394 1.00 0.00 N ATOM 776 CZ ARG A 44 2.166 -15.226 0.232 1.00 0.00 C ATOM 777 NH1 ARG A 44 2.215 -16.088 1.240 1.00 0.00 N ATOM 778 NH2 ARG A 44 1.676 -15.611 -0.939 1.00 0.00 N ATOM 0 H ARG A 44 2.405 -9.873 3.160 1.00 0.00 H new ATOM 0 HA ARG A 44 3.941 -9.470 0.762 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.669 -11.302 1.610 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.344 -11.339 -0.007 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.503 -12.024 0.811 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.050 -11.705 2.474 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.973 -14.123 1.969 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.393 -13.514 2.422 1.00 0.00 H new ATOM 0 HE ARG A 44 2.550 -13.344 -0.401 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.590 -15.796 2.143 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.878 -17.042 1.112 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.635 -14.952 -1.716 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.340 -16.566 -1.062 1.00 0.00 H new ATOM 792 N VAL A 45 0.879 -8.368 0.960 1.00 0.00 N ATOM 793 CA VAL A 45 -0.136 -7.569 0.285 1.00 0.00 C ATOM 794 C VAL A 45 0.188 -6.079 0.357 1.00 0.00 C ATOM 795 O VAL A 45 -0.107 -5.325 -0.570 1.00 0.00 O ATOM 796 CB VAL A 45 -1.529 -7.820 0.894 1.00 0.00 C ATOM 797 CG1 VAL A 45 -1.832 -9.308 0.917 1.00 0.00 C ATOM 798 CG2 VAL A 45 -1.622 -7.237 2.295 1.00 0.00 C ATOM 0 H VAL A 45 0.679 -8.562 1.941 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.141 -7.875 -0.761 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.270 -7.321 0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.819 -9.472 1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.812 -9.699 -0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.082 -9.823 1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.615 -7.427 2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.872 -7.703 2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.446 -6.162 2.254 1.00 0.00 H new ATOM 808 N LEU A 46 0.794 -5.661 1.464 1.00 0.00 N ATOM 809 CA LEU A 46 1.153 -4.262 1.657 1.00 0.00 C ATOM 810 C LEU A 46 2.533 -3.966 1.074 1.00 0.00 C ATOM 811 O LEU A 46 3.003 -2.828 1.117 1.00 0.00 O ATOM 812 CB LEU A 46 1.125 -3.907 3.147 1.00 0.00 C ATOM 813 CG LEU A 46 -0.252 -3.934 3.809 1.00 0.00 C ATOM 814 CD1 LEU A 46 -0.131 -3.550 5.275 1.00 0.00 C ATOM 815 CD2 LEU A 46 -1.214 -2.999 3.087 1.00 0.00 C ATOM 0 H LEU A 46 1.046 -6.272 2.241 1.00 0.00 H new ATOM 0 HA LEU A 46 0.420 -3.649 1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.777 -4.600 3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.549 -2.910 3.272 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.652 -4.946 3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.117 -3.572 5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.525 -4.257 5.783 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.286 -2.546 5.355 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.189 -3.033 3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.826 -1.981 3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.316 -3.313 2.048 1.00 0.00 H new ATOM 827 N ASN A 47 3.173 -4.998 0.529 1.00 0.00 N ATOM 828 CA ASN A 47 4.500 -4.857 -0.064 1.00 0.00 C ATOM 829 C ASN A 47 5.503 -4.349 0.965 1.00 0.00 C ATOM 830 O ASN A 47 6.446 -3.630 0.630 1.00 0.00 O ATOM 831 CB ASN A 47 4.453 -3.910 -1.266 1.00 0.00 C ATOM 832 CG ASN A 47 3.548 -4.422 -2.369 1.00 0.00 C ATOM 833 OD1 ASN A 47 2.355 -4.122 -2.398 1.00 0.00 O ATOM 834 ND2 ASN A 47 4.112 -5.202 -3.285 1.00 0.00 N ATOM 0 H ASN A 47 2.793 -5.943 0.486 1.00 0.00 H new ATOM 0 HA ASN A 47 4.824 -5.841 -0.405 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.105 -2.930 -0.940 1.00 0.00 H new ATOM 0 HB3 ASN A 47 5.461 -3.776 -1.659 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.552 -5.577 -4.050 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.105 -5.426 -3.223 1.00 0.00 H new ATOM 841 N LEU A 48 5.295 -4.735 2.217 1.00 0.00 N ATOM 842 CA LEU A 48 6.176 -4.328 3.305 1.00 0.00 C ATOM 843 C LEU A 48 6.882 -5.539 3.904 1.00 0.00 C ATOM 844 O LEU A 48 6.673 -6.669 3.462 1.00 0.00 O ATOM 845 CB LEU A 48 5.380 -3.604 4.394 1.00 0.00 C ATOM 846 CG LEU A 48 4.375 -2.564 3.890 1.00 0.00 C ATOM 847 CD1 LEU A 48 3.650 -1.915 5.059 1.00 0.00 C ATOM 848 CD2 LEU A 48 5.070 -1.510 3.041 1.00 0.00 C ATOM 0 H LEU A 48 4.520 -5.332 2.506 1.00 0.00 H new ATOM 0 HA LEU A 48 6.925 -3.648 2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.843 -4.347 4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.082 -3.110 5.066 1.00 0.00 H new ATOM 0 HG LEU A 48 3.640 -3.073 3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.940 -1.179 4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.116 -2.678 5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.374 -1.422 5.708 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.337 -0.782 2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.829 -1.005 3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.542 -1.988 2.182 1.00 0.00 H new ATOM 860 N THR A 49 7.724 -5.297 4.902 1.00 0.00 N ATOM 861 CA THR A 49 8.451 -6.372 5.563 1.00 0.00 C ATOM 862 C THR A 49 7.792 -6.725 6.893 1.00 0.00 C ATOM 863 O THR A 49 7.178 -5.873 7.534 1.00 0.00 O ATOM 864 CB THR A 49 9.923 -5.987 5.812 1.00 0.00 C ATOM 865 OG1 THR A 49 10.500 -5.459 4.613 1.00 0.00 O ATOM 866 CG2 THR A 49 10.730 -7.190 6.277 1.00 0.00 C ATOM 0 H THR A 49 7.919 -4.366 5.270 1.00 0.00 H new ATOM 0 HA THR A 49 8.424 -7.237 4.900 1.00 0.00 H new ATOM 0 HB THR A 49 9.947 -5.229 6.595 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.434 -5.215 4.780 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.765 -6.891 6.445 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.308 -7.575 7.205 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.697 -7.968 5.514 1.00 0.00 H new ATOM 874 N GLU A 50 7.916 -7.987 7.298 1.00 0.00 N ATOM 875 CA GLU A 50 7.331 -8.453 8.552 1.00 0.00 C ATOM 876 C GLU A 50 7.735 -7.547 9.711 1.00 0.00 C ATOM 877 O GLU A 50 6.896 -7.135 10.512 1.00 0.00 O ATOM 878 CB GLU A 50 7.770 -9.891 8.837 1.00 0.00 C ATOM 879 CG GLU A 50 7.357 -10.878 7.759 1.00 0.00 C ATOM 880 CD GLU A 50 7.824 -12.290 8.050 1.00 0.00 C ATOM 881 OE1 GLU A 50 7.084 -13.031 8.731 1.00 0.00 O ATOM 882 OE2 GLU A 50 8.929 -12.656 7.597 1.00 0.00 O ATOM 0 H GLU A 50 8.417 -8.705 6.775 1.00 0.00 H new ATOM 0 HA GLU A 50 6.246 -8.423 8.453 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.854 -9.916 8.945 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.347 -10.209 9.790 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.271 -10.871 7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.764 -10.555 6.801 1.00 0.00 H new ATOM 889 N ARG A 51 9.025 -7.245 9.791 1.00 0.00 N ATOM 890 CA ARG A 51 9.552 -6.384 10.846 1.00 0.00 C ATOM 891 C ARG A 51 8.993 -4.969 10.734 1.00 0.00 C ATOM 892 O ARG A 51 8.668 -4.341 11.741 1.00 0.00 O ATOM 893 CB ARG A 51 11.080 -6.341 10.784 1.00 0.00 C ATOM 894 CG ARG A 51 11.740 -7.698 10.976 1.00 0.00 C ATOM 895 CD ARG A 51 11.535 -8.228 12.387 1.00 0.00 C ATOM 896 NE ARG A 51 12.098 -7.333 13.394 1.00 0.00 N ATOM 897 CZ ARG A 51 12.476 -7.729 14.607 1.00 0.00 C ATOM 898 NH1 ARG A 51 12.353 -9.001 14.963 1.00 0.00 N ATOM 899 NH2 ARG A 51 12.980 -6.851 15.464 1.00 0.00 N ATOM 0 H ARG A 51 9.729 -7.584 9.136 1.00 0.00 H new ATOM 0 HA ARG A 51 9.241 -6.803 11.803 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.384 -5.933 9.820 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.446 -5.657 11.550 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.329 -8.407 10.257 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.807 -7.616 10.769 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.469 -8.359 12.574 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.998 -9.211 12.476 1.00 0.00 H new ATOM 0 HE ARG A 51 12.208 -6.348 13.154 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.968 -9.679 14.306 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.644 -9.301 15.894 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.078 -5.872 15.193 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.270 -7.154 16.394 1.00 0.00 H new ATOM 913 N GLN A 52 8.885 -4.472 9.503 1.00 0.00 N ATOM 914 CA GLN A 52 8.367 -3.128 9.261 1.00 0.00 C ATOM 915 C GLN A 52 6.996 -2.939 9.899 1.00 0.00 C ATOM 916 O GLN A 52 6.677 -1.857 10.388 1.00 0.00 O ATOM 917 CB GLN A 52 8.286 -2.849 7.758 1.00 0.00 C ATOM 918 CG GLN A 52 9.644 -2.691 7.094 1.00 0.00 C ATOM 919 CD GLN A 52 10.411 -1.490 7.614 1.00 0.00 C ATOM 920 OE1 GLN A 52 9.821 -0.482 8.001 1.00 0.00 O ATOM 921 NE2 GLN A 52 11.734 -1.595 7.632 1.00 0.00 N ATOM 0 H GLN A 52 9.149 -4.980 8.659 1.00 0.00 H new ATOM 0 HA GLN A 52 9.057 -2.420 9.720 1.00 0.00 H new ATOM 0 HB2 GLN A 52 7.747 -3.664 7.274 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.704 -1.942 7.596 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.233 -3.593 7.260 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.509 -2.592 6.017 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.182 -2.450 7.302 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.302 -0.821 7.976 1.00 0.00 H new ATOM 930 N VAL A 53 6.187 -3.996 9.893 1.00 0.00 N ATOM 931 CA VAL A 53 4.849 -3.935 10.474 1.00 0.00 C ATOM 932 C VAL A 53 4.903 -3.572 11.958 1.00 0.00 C ATOM 933 O VAL A 53 4.280 -2.601 12.391 1.00 0.00 O ATOM 934 CB VAL A 53 4.105 -5.276 10.312 1.00 0.00 C ATOM 935 CG1 VAL A 53 2.687 -5.172 10.854 1.00 0.00 C ATOM 936 CG2 VAL A 53 4.094 -5.706 8.853 1.00 0.00 C ATOM 0 H VAL A 53 6.434 -4.902 9.494 1.00 0.00 H new ATOM 0 HA VAL A 53 4.308 -3.158 9.935 1.00 0.00 H new ATOM 0 HB VAL A 53 4.634 -6.035 10.889 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.179 -6.128 10.730 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.720 -4.913 11.912 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.145 -4.400 10.308 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.565 -6.654 8.757 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.590 -4.947 8.254 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.119 -5.825 8.501 1.00 0.00 H new ATOM 946 N LYS A 54 5.652 -4.356 12.728 1.00 0.00 N ATOM 947 CA LYS A 54 5.784 -4.122 14.164 1.00 0.00 C ATOM 948 C LYS A 54 6.423 -2.767 14.449 1.00 0.00 C ATOM 949 O LYS A 54 5.873 -1.957 15.195 1.00 0.00 O ATOM 950 CB LYS A 54 6.618 -5.232 14.807 1.00 0.00 C ATOM 951 CG LYS A 54 6.012 -6.618 14.658 1.00 0.00 C ATOM 952 CD LYS A 54 6.902 -7.689 15.271 1.00 0.00 C ATOM 953 CE LYS A 54 8.201 -7.849 14.497 1.00 0.00 C ATOM 954 NZ LYS A 54 7.960 -8.274 13.089 1.00 0.00 N ATOM 0 H LYS A 54 6.177 -5.159 12.382 1.00 0.00 H new ATOM 0 HA LYS A 54 4.783 -4.125 14.595 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.613 -5.231 14.362 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.743 -5.012 15.867 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.033 -6.641 15.136 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.856 -6.835 13.601 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.124 -7.429 16.306 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.369 -8.640 15.288 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.746 -6.905 14.503 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.832 -8.585 14.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.856 -8.583 12.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.280 -9.061 13.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.575 -7.475 12.546 1.00 0.00 H new ATOM 968 N ILE A 55 7.586 -2.532 13.851 1.00 0.00 N ATOM 969 CA ILE A 55 8.308 -1.280 14.044 1.00 0.00 C ATOM 970 C ILE A 55 7.436 -0.072 13.704 1.00 0.00 C ATOM 971 O ILE A 55 7.548 0.976 14.337 1.00 0.00 O ATOM 972 CB ILE A 55 9.596 -1.241 13.196 1.00 0.00 C ATOM 973 CG1 ILE A 55 10.506 -2.415 13.563 1.00 0.00 C ATOM 974 CG2 ILE A 55 10.326 0.083 13.394 1.00 0.00 C ATOM 975 CD1 ILE A 55 11.720 -2.549 12.668 1.00 0.00 C ATOM 0 H ILE A 55 8.049 -3.193 13.228 1.00 0.00 H new ATOM 0 HA ILE A 55 8.577 -1.230 15.099 1.00 0.00 H new ATOM 0 HB ILE A 55 9.323 -1.328 12.144 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.838 -2.297 14.595 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.929 -3.338 13.517 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.232 0.093 12.788 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.678 0.905 13.090 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.591 0.199 14.445 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.317 -3.403 12.990 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.398 -2.699 11.638 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.321 -1.642 12.732 1.00 0.00 H new ATOM 987 N TRP A 56 6.565 -0.227 12.710 1.00 0.00 N ATOM 988 CA TRP A 56 5.681 0.859 12.296 1.00 0.00 C ATOM 989 C TRP A 56 4.844 1.351 13.475 1.00 0.00 C ATOM 990 O TRP A 56 4.888 2.529 13.829 1.00 0.00 O ATOM 991 CB TRP A 56 4.765 0.401 11.159 1.00 0.00 C ATOM 992 CG TRP A 56 4.058 1.528 10.468 1.00 0.00 C ATOM 993 CD1 TRP A 56 4.460 2.172 9.333 1.00 0.00 C ATOM 994 CD2 TRP A 56 2.827 2.145 10.864 1.00 0.00 C ATOM 995 NE1 TRP A 56 3.556 3.150 8.999 1.00 0.00 N ATOM 996 CE2 TRP A 56 2.544 3.153 9.923 1.00 0.00 C ATOM 997 CE3 TRP A 56 1.937 1.942 11.922 1.00 0.00 C ATOM 998 CZ2 TRP A 56 1.409 3.954 10.010 1.00 0.00 C ATOM 999 CZ3 TRP A 56 0.811 2.739 12.006 1.00 0.00 C ATOM 1000 CH2 TRP A 56 0.555 3.733 11.055 1.00 0.00 C ATOM 0 H TRP A 56 6.453 -1.090 12.178 1.00 0.00 H new ATOM 0 HA TRP A 56 6.299 1.683 11.939 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.356 -0.150 10.427 1.00 0.00 H new ATOM 0 HB3 TRP A 56 4.024 -0.292 11.557 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.359 1.945 8.779 1.00 0.00 H new ATOM 0 HE1 TRP A 56 3.626 3.773 8.194 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.126 1.177 12.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 1.210 4.723 9.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 0.117 2.592 12.820 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -0.335 4.338 11.148 1.00 0.00 H new ATOM 1011 N PHE A 57 4.087 0.441 14.078 1.00 0.00 N ATOM 1012 CA PHE A 57 3.244 0.782 15.219 1.00 0.00 C ATOM 1013 C PHE A 57 4.090 1.126 16.440 1.00 0.00 C ATOM 1014 O PHE A 57 3.661 1.886 17.309 1.00 0.00 O ATOM 1015 CB PHE A 57 2.299 -0.374 15.551 1.00 0.00 C ATOM 1016 CG PHE A 57 1.186 -0.542 14.557 1.00 0.00 C ATOM 1017 CD1 PHE A 57 1.386 -1.255 13.386 1.00 0.00 C ATOM 1018 CD2 PHE A 57 -0.061 0.014 14.794 1.00 0.00 C ATOM 1019 CE1 PHE A 57 0.364 -1.410 12.470 1.00 0.00 C ATOM 1020 CE2 PHE A 57 -1.088 -0.138 13.880 1.00 0.00 C ATOM 1021 CZ PHE A 57 -0.874 -0.851 12.717 1.00 0.00 C ATOM 0 H PHE A 57 4.040 -0.538 13.796 1.00 0.00 H new ATOM 0 HA PHE A 57 2.654 1.658 14.949 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.873 -1.299 15.601 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.871 -0.210 16.540 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.352 -1.695 13.187 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.233 0.572 15.702 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.533 -1.968 11.561 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.056 0.300 14.076 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.674 -0.971 12.002 1.00 0.00 H new ATOM 1031 N GLN A 58 5.291 0.561 16.499 1.00 0.00 N ATOM 1032 CA GLN A 58 6.198 0.805 17.616 1.00 0.00 C ATOM 1033 C GLN A 58 6.501 2.296 17.751 1.00 0.00 C ATOM 1034 O GLN A 58 6.265 2.891 18.802 1.00 0.00 O ATOM 1035 CB GLN A 58 7.496 0.017 17.422 1.00 0.00 C ATOM 1036 CG GLN A 58 8.214 -0.312 18.722 1.00 0.00 C ATOM 1037 CD GLN A 58 8.747 0.916 19.432 1.00 0.00 C ATOM 1038 OE1 GLN A 58 8.058 1.523 20.253 1.00 0.00 O ATOM 1039 NE2 GLN A 58 9.982 1.290 19.118 1.00 0.00 N ATOM 0 H GLN A 58 5.660 -0.069 15.787 1.00 0.00 H new ATOM 0 HA GLN A 58 5.713 0.469 18.533 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.272 -0.911 16.897 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.167 0.591 16.783 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.529 -0.840 19.385 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.041 -0.991 18.512 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.517 0.758 18.432 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.395 2.110 19.563 1.00 0.00 H new ATOM 1048 N ASN A 59 7.024 2.891 16.681 1.00 0.00 N ATOM 1049 CA ASN A 59 7.357 4.313 16.681 1.00 0.00 C ATOM 1050 C ASN A 59 6.138 5.162 17.027 1.00 0.00 C ATOM 1051 O ASN A 59 6.231 6.112 17.804 1.00 0.00 O ATOM 1052 CB ASN A 59 7.908 4.731 15.317 1.00 0.00 C ATOM 1053 CG ASN A 59 9.310 4.211 15.076 1.00 0.00 C ATOM 1054 OD1 ASN A 59 10.294 4.849 15.450 1.00 0.00 O ATOM 1055 ND2 ASN A 59 9.410 3.050 14.441 1.00 0.00 N ATOM 0 H ASN A 59 7.226 2.411 15.804 1.00 0.00 H new ATOM 0 HA ASN A 59 8.120 4.477 17.442 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.247 4.362 14.533 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.910 5.819 15.247 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.329 2.653 14.245 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.568 2.554 14.149 1.00 0.00 H new ATOM 1062 N ARG A 60 4.999 4.812 16.439 1.00 0.00 N ATOM 1063 CA ARG A 60 3.755 5.536 16.681 1.00 0.00 C ATOM 1064 C ARG A 60 3.456 5.638 18.174 1.00 0.00 C ATOM 1065 O ARG A 60 2.851 6.608 18.628 1.00 0.00 O ATOM 1066 CB ARG A 60 2.592 4.846 15.964 1.00 0.00 C ATOM 1067 CG ARG A 60 2.733 4.819 14.450 1.00 0.00 C ATOM 1068 CD ARG A 60 2.668 6.218 13.856 1.00 0.00 C ATOM 1069 NE ARG A 60 2.876 6.210 12.410 1.00 0.00 N ATOM 1070 CZ ARG A 60 3.232 7.283 11.711 1.00 0.00 C ATOM 1071 NH1 ARG A 60 3.423 8.445 12.322 1.00 0.00 N ATOM 1072 NH2 ARG A 60 3.400 7.195 10.398 1.00 0.00 N ATOM 0 H ARG A 60 4.911 4.030 15.790 1.00 0.00 H new ATOM 0 HA ARG A 60 3.874 6.545 16.286 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.508 3.823 16.330 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.664 5.355 16.224 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.681 4.353 14.181 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.942 4.204 14.021 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.698 6.662 14.080 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.423 6.847 14.327 1.00 0.00 H new ATOM 0 HE ARG A 60 2.740 5.332 11.909 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.297 8.517 13.332 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.696 9.266 11.782 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.256 6.303 9.924 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.673 8.019 9.862 1.00 0.00 H new ATOM 1086 N ARG A 61 3.880 4.633 18.932 1.00 0.00 N ATOM 1087 CA ARG A 61 3.649 4.614 20.372 1.00 0.00 C ATOM 1088 C ARG A 61 4.706 5.428 21.120 1.00 0.00 C ATOM 1089 O ARG A 61 4.415 6.034 22.151 1.00 0.00 O ATOM 1090 CB ARG A 61 3.629 3.175 20.888 1.00 0.00 C ATOM 1091 CG ARG A 61 2.484 2.350 20.323 1.00 0.00 C ATOM 1092 CD ARG A 61 2.186 1.141 21.193 1.00 0.00 C ATOM 1093 NE ARG A 61 3.299 0.196 21.227 1.00 0.00 N ATOM 1094 CZ ARG A 61 3.319 -0.888 21.996 1.00 0.00 C ATOM 1095 NH1 ARG A 61 2.293 -1.162 22.790 1.00 0.00 N ATOM 1096 NH2 ARG A 61 4.367 -1.702 21.972 1.00 0.00 N ATOM 0 H ARG A 61 4.385 3.822 18.574 1.00 0.00 H new ATOM 0 HA ARG A 61 2.678 5.074 20.559 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.574 2.693 20.637 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.557 3.187 21.976 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.592 2.971 20.243 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.734 2.021 19.315 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.962 1.472 22.207 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.295 0.637 20.818 1.00 0.00 H new ATOM 0 HE ARG A 61 4.105 0.378 20.628 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.485 -0.540 22.812 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.312 -1.995 23.379 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.159 -1.496 21.363 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.381 -2.533 22.563 1.00 0.00 H new ATOM 1110 N MET A 62 5.930 5.436 20.598 1.00 0.00 N ATOM 1111 CA MET A 62 7.027 6.171 21.223 1.00 0.00 C ATOM 1112 C MET A 62 6.684 7.645 21.422 1.00 0.00 C ATOM 1113 O MET A 62 6.933 8.203 22.491 1.00 0.00 O ATOM 1114 CB MET A 62 8.295 6.047 20.381 1.00 0.00 C ATOM 1115 CG MET A 62 8.649 4.613 20.029 1.00 0.00 C ATOM 1116 SD MET A 62 10.347 4.435 19.445 1.00 0.00 S ATOM 1117 CE MET A 62 11.268 4.948 20.894 1.00 0.00 C ATOM 0 H MET A 62 6.187 4.942 19.744 1.00 0.00 H new ATOM 0 HA MET A 62 7.195 5.730 22.205 1.00 0.00 H new ATOM 0 HB2 MET A 62 8.168 6.618 19.461 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.127 6.496 20.923 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.503 3.982 20.906 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.966 4.253 19.260 1.00 0.00 H new ATOM 0 HE1 MET A 62 12.077 4.241 21.080 1.00 0.00 H new ATOM 0 HE2 MET A 62 11.685 5.941 20.727 1.00 0.00 H new ATOM 0 HE3 MET A 62 10.603 4.974 21.757 1.00 0.00 H new ATOM 1127 N LYS A 63 6.118 8.277 20.394 1.00 0.00 N ATOM 1128 CA LYS A 63 5.762 9.690 20.481 1.00 0.00 C ATOM 1129 C LYS A 63 4.784 9.932 21.626 1.00 0.00 C ATOM 1130 O LYS A 63 4.829 10.973 22.284 1.00 0.00 O ATOM 1131 CB LYS A 63 5.167 10.187 19.158 1.00 0.00 C ATOM 1132 CG LYS A 63 3.750 9.705 18.893 1.00 0.00 C ATOM 1133 CD LYS A 63 3.146 10.402 17.685 1.00 0.00 C ATOM 1134 CE LYS A 63 1.652 10.149 17.585 1.00 0.00 C ATOM 1135 NZ LYS A 63 1.339 8.698 17.478 1.00 0.00 N ATOM 0 H LYS A 63 5.899 7.837 19.500 1.00 0.00 H new ATOM 0 HA LYS A 63 6.674 10.253 20.680 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.175 11.277 19.156 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.809 9.862 18.339 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.755 8.627 18.729 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.130 9.891 19.770 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.331 11.474 17.752 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.637 10.050 16.778 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.154 10.564 18.462 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.253 10.671 16.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.308 8.563 17.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.720 8.326 16.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.770 8.190 18.277 1.00 0.00 H new