USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 535 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 26 TYR OH : rot 30:sc= -0.133 USER MOD Single : A 29 ASN : amide:sc= -1.78 X(o=-1.8,f=-2.1) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0264 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 30:sc= -0.0353 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 110:sc= -1.61 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 263 N ARG A 24 -7.020 -3.476 -4.024 1.00 0.00 N ATOM 264 CA ARG A 24 -5.623 -3.334 -3.648 1.00 0.00 C ATOM 265 C ARG A 24 -5.330 -1.893 -3.227 1.00 0.00 C ATOM 266 O ARG A 24 -5.541 -0.961 -4.001 1.00 0.00 O ATOM 267 CB ARG A 24 -4.699 -3.718 -4.806 1.00 0.00 C ATOM 268 CG ARG A 24 -4.883 -2.768 -5.991 1.00 0.00 C ATOM 269 CD ARG A 24 -4.755 -3.518 -7.319 1.00 0.00 C ATOM 270 NE ARG A 24 -6.057 -4.113 -7.692 1.00 0.00 N ATOM 271 CZ ARG A 24 -6.218 -5.013 -8.672 1.00 0.00 C ATOM 272 NH1 ARG A 24 -5.161 -5.427 -9.383 1.00 0.00 N ATOM 273 NH2 ARG A 24 -7.438 -5.499 -8.941 1.00 0.00 N ATOM 0 HA ARG A 24 -5.435 -4.006 -2.810 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.662 -3.693 -4.472 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.908 -4.741 -5.119 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.861 -2.291 -5.931 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.138 -1.974 -5.944 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.420 -2.836 -8.101 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.000 -4.299 -7.233 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.884 -3.820 -7.171 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.233 -5.057 -9.179 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.285 -6.112 -10.129 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.243 -5.184 -8.400 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.561 -6.184 -9.687 1.00 0.00 H new ATOM 287 N ILE A 25 -4.849 -1.755 -2.000 1.00 0.00 N ATOM 288 CA ILE A 25 -4.525 -0.443 -1.466 1.00 0.00 C ATOM 289 C ILE A 25 -3.026 -0.184 -1.635 1.00 0.00 C ATOM 290 O ILE A 25 -2.205 -1.041 -1.311 1.00 0.00 O ATOM 291 CB ILE A 25 -5.012 -0.317 -0.022 1.00 0.00 C ATOM 292 CG1 ILE A 25 -4.348 -1.364 0.875 1.00 0.00 C ATOM 293 CG2 ILE A 25 -6.539 -0.386 0.050 1.00 0.00 C ATOM 294 CD1 ILE A 25 -4.453 -0.970 2.349 1.00 0.00 C ATOM 0 H ILE A 25 -4.676 -2.530 -1.360 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.048 0.335 -2.023 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.716 0.662 0.353 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.821 -2.334 0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.299 -1.473 0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.859 -0.294 1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.968 0.427 -0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.879 -1.341 -0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.973 -1.731 2.964 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.958 -0.012 2.506 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.503 -0.886 2.629 1.00 0.00 H new ATOM 306 N TYR A 26 -2.716 1.000 -2.141 1.00 0.00 N ATOM 307 CA TYR A 26 -1.330 1.382 -2.356 1.00 0.00 C ATOM 308 C TYR A 26 -0.796 2.195 -1.175 1.00 0.00 C ATOM 309 O TYR A 26 -1.471 3.097 -0.682 1.00 0.00 O ATOM 310 CB TYR A 26 -1.325 2.260 -3.609 1.00 0.00 C ATOM 311 CG TYR A 26 -0.008 3.004 -3.842 1.00 0.00 C ATOM 312 CD1 TYR A 26 0.194 4.244 -3.272 1.00 0.00 C ATOM 313 CD2 TYR A 26 0.978 2.433 -4.621 1.00 0.00 C ATOM 314 CE1 TYR A 26 1.433 4.944 -3.491 1.00 0.00 C ATOM 315 CE2 TYR A 26 2.217 3.133 -4.840 1.00 0.00 C ATOM 316 CZ TYR A 26 2.384 4.354 -4.264 1.00 0.00 C ATOM 317 OH TYR A 26 3.554 5.015 -4.471 1.00 0.00 O ATOM 0 H TYR A 26 -3.400 1.708 -2.408 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.700 0.499 -2.462 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.537 1.637 -4.478 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.133 2.988 -3.534 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.577 4.690 -2.661 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.820 1.462 -5.066 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.603 5.916 -3.051 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.997 2.698 -5.448 1.00 0.00 H new ATOM 0 HH TYR A 26 3.752 5.580 -3.695 1.00 0.00 H new ATOM 327 N VAL A 27 0.412 1.846 -0.756 1.00 0.00 N ATOM 328 CA VAL A 27 1.044 2.532 0.358 1.00 0.00 C ATOM 329 C VAL A 27 2.286 3.272 -0.144 1.00 0.00 C ATOM 330 O VAL A 27 3.034 2.749 -0.969 1.00 0.00 O ATOM 331 CB VAL A 27 1.353 1.537 1.478 1.00 0.00 C ATOM 332 CG1 VAL A 27 1.764 2.264 2.760 1.00 0.00 C ATOM 333 CG2 VAL A 27 0.163 0.609 1.731 1.00 0.00 C ATOM 0 H VAL A 27 0.969 1.098 -1.168 1.00 0.00 H new ATOM 0 HA VAL A 27 0.370 3.277 0.781 1.00 0.00 H new ATOM 0 HB VAL A 27 2.194 0.923 1.157 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.978 1.533 3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.655 2.863 2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.952 2.915 3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.409 -0.088 2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.705 1.201 2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.064 0.052 0.822 1.00 0.00 H new ATOM 343 N GLY A 28 2.468 4.477 0.376 1.00 0.00 N ATOM 344 CA GLY A 28 3.606 5.294 -0.009 1.00 0.00 C ATOM 345 C GLY A 28 4.232 5.972 1.212 1.00 0.00 C ATOM 346 O GLY A 28 3.811 5.733 2.342 1.00 0.00 O ATOM 0 H GLY A 28 1.846 4.907 1.061 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.351 4.674 -0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.289 6.050 -0.727 1.00 0.00 H new ATOM 350 N ASN A 29 5.227 6.804 0.941 1.00 0.00 N ATOM 351 CA ASN A 29 5.915 7.519 2.003 1.00 0.00 C ATOM 352 C ASN A 29 6.464 6.512 3.016 1.00 0.00 C ATOM 353 O ASN A 29 6.628 6.836 4.191 1.00 0.00 O ATOM 354 CB ASN A 29 4.961 8.460 2.741 1.00 0.00 C ATOM 355 CG ASN A 29 5.730 9.583 3.440 1.00 0.00 C ATOM 356 OD1 ASN A 29 6.868 9.427 3.853 1.00 0.00 O ATOM 357 ND2 ASN A 29 5.048 10.719 3.550 1.00 0.00 N ATOM 0 H ASN A 29 5.573 6.999 0.002 1.00 0.00 H new ATOM 0 HA ASN A 29 6.719 8.101 1.553 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.248 8.887 2.036 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.385 7.897 3.475 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.474 11.528 4.002 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.099 10.782 3.182 1.00 0.00 H new ATOM 364 N LEU A 30 6.733 5.312 2.523 1.00 0.00 N ATOM 365 CA LEU A 30 7.260 4.256 3.371 1.00 0.00 C ATOM 366 C LEU A 30 8.736 4.534 3.666 1.00 0.00 C ATOM 367 O LEU A 30 9.393 5.266 2.927 1.00 0.00 O ATOM 368 CB LEU A 30 7.007 2.885 2.740 1.00 0.00 C ATOM 369 CG LEU A 30 5.574 2.357 2.837 1.00 0.00 C ATOM 370 CD1 LEU A 30 5.316 1.276 1.786 1.00 0.00 C ATOM 371 CD2 LEU A 30 5.265 1.866 4.253 1.00 0.00 C ATOM 0 H LEU A 30 6.596 5.047 1.547 1.00 0.00 H new ATOM 0 HA LEU A 30 6.740 4.241 4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.284 2.935 1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.672 2.162 3.211 1.00 0.00 H new ATOM 0 HG LEU A 30 4.891 3.180 2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.291 0.918 1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.468 1.693 0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.005 0.446 1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.241 1.496 4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.952 1.062 4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.382 2.690 4.957 1.00 0.00 H new ATOM 383 N PRO A 31 9.226 3.919 4.775 1.00 0.00 N ATOM 384 CA PRO A 31 10.611 4.092 5.177 1.00 0.00 C ATOM 385 C PRO A 31 11.549 3.288 4.274 1.00 0.00 C ATOM 386 O PRO A 31 11.101 2.425 3.520 1.00 0.00 O ATOM 387 CB PRO A 31 10.659 3.648 6.630 1.00 0.00 C ATOM 388 CG PRO A 31 9.411 2.808 6.849 1.00 0.00 C ATOM 389 CD PRO A 31 8.477 3.045 5.674 1.00 0.00 C ATOM 0 HA PRO A 31 10.951 5.123 5.079 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.560 3.069 6.832 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.675 4.507 7.301 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.670 1.752 6.924 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.925 3.084 7.785 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.211 2.108 5.185 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.546 3.512 5.996 1.00 0.00 H new ATOM 397 N PRO A 32 12.866 3.607 4.384 1.00 0.00 N ATOM 398 CA PRO A 32 13.871 2.923 3.587 1.00 0.00 C ATOM 399 C PRO A 32 14.131 1.514 4.124 1.00 0.00 C ATOM 400 O PRO A 32 14.482 0.612 3.365 1.00 0.00 O ATOM 401 CB PRO A 32 15.098 3.818 3.648 1.00 0.00 C ATOM 402 CG PRO A 32 14.890 4.729 4.848 1.00 0.00 C ATOM 403 CD PRO A 32 13.433 4.622 5.267 1.00 0.00 C ATOM 0 HA PRO A 32 13.557 2.771 2.554 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.007 3.227 3.759 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.205 4.398 2.731 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.546 4.436 5.668 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.139 5.759 4.593 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.342 4.331 6.314 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.918 5.576 5.155 1.00 0.00 H new ATOM 411 N ASP A 33 13.949 1.370 5.428 1.00 0.00 N ATOM 412 CA ASP A 33 14.160 0.086 6.076 1.00 0.00 C ATOM 413 C ASP A 33 12.805 -0.543 6.405 1.00 0.00 C ATOM 414 O ASP A 33 12.583 -0.994 7.528 1.00 0.00 O ATOM 415 CB ASP A 33 14.936 0.250 7.384 1.00 0.00 C ATOM 416 CG ASP A 33 15.775 -0.962 7.795 1.00 0.00 C ATOM 417 OD1 ASP A 33 16.484 -1.488 6.910 1.00 0.00 O ATOM 418 OD2 ASP A 33 15.687 -1.336 8.984 1.00 0.00 O ATOM 0 H ASP A 33 13.658 2.121 6.054 1.00 0.00 H new ATOM 0 HA ASP A 33 14.731 -0.546 5.395 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.594 1.114 7.293 1.00 0.00 H new ATOM 0 HB3 ASP A 33 14.229 0.471 8.183 1.00 0.00 H new ATOM 423 N ILE A 34 11.935 -0.554 5.406 1.00 0.00 N ATOM 424 CA ILE A 34 10.608 -1.120 5.576 1.00 0.00 C ATOM 425 C ILE A 34 10.617 -2.578 5.114 1.00 0.00 C ATOM 426 O ILE A 34 11.448 -2.968 4.295 1.00 0.00 O ATOM 427 CB ILE A 34 9.562 -0.257 4.867 1.00 0.00 C ATOM 428 CG1 ILE A 34 8.145 -0.667 5.274 1.00 0.00 C ATOM 429 CG2 ILE A 34 9.757 -0.296 3.350 1.00 0.00 C ATOM 430 CD1 ILE A 34 7.819 -0.182 6.688 1.00 0.00 C ATOM 0 H ILE A 34 12.123 -0.180 4.476 1.00 0.00 H new ATOM 0 HA ILE A 34 10.327 -1.120 6.629 1.00 0.00 H new ATOM 0 HB ILE A 34 9.701 0.777 5.183 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.426 -0.252 4.568 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.049 -1.752 5.226 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.001 0.325 2.870 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.749 0.082 3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.660 -1.323 2.997 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.806 -0.486 6.953 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.525 -0.618 7.394 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.893 0.905 6.726 1.00 0.00 H new ATOM 442 N ARG A 35 9.684 -3.345 5.659 1.00 0.00 N ATOM 443 CA ARG A 35 9.574 -4.752 5.313 1.00 0.00 C ATOM 444 C ARG A 35 8.136 -5.090 4.916 1.00 0.00 C ATOM 445 O ARG A 35 7.188 -4.548 5.483 1.00 0.00 O ATOM 446 CB ARG A 35 9.997 -5.641 6.483 1.00 0.00 C ATOM 447 CG ARG A 35 11.519 -5.664 6.634 1.00 0.00 C ATOM 448 CD ARG A 35 12.106 -6.961 6.073 1.00 0.00 C ATOM 449 NE ARG A 35 13.507 -7.119 6.523 1.00 0.00 N ATOM 450 CZ ARG A 35 13.861 -7.484 7.762 1.00 0.00 C ATOM 451 NH1 ARG A 35 12.920 -7.731 8.683 1.00 0.00 N ATOM 452 NH2 ARG A 35 15.157 -7.601 8.081 1.00 0.00 N ATOM 0 H ARG A 35 8.997 -3.018 6.338 1.00 0.00 H new ATOM 0 HA ARG A 35 10.240 -4.940 4.471 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.542 -5.276 7.404 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.629 -6.655 6.325 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.953 -4.810 6.114 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.785 -5.565 7.686 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.511 -7.812 6.404 1.00 0.00 H new ATOM 0 HD3 ARG A 35 12.065 -6.947 4.984 1.00 0.00 H new ATOM 0 HE ARG A 35 14.249 -6.939 5.847 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.933 -7.641 8.441 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.190 -8.009 9.626 1.00 0.00 H new ATOM 0 HH21 ARG A 35 15.874 -7.412 7.380 1.00 0.00 H new ATOM 0 HH22 ARG A 35 15.427 -7.879 9.025 1.00 0.00 H new ATOM 466 N THR A 36 8.018 -5.985 3.946 1.00 0.00 N ATOM 467 CA THR A 36 6.712 -6.402 3.467 1.00 0.00 C ATOM 468 C THR A 36 5.873 -6.957 4.621 1.00 0.00 C ATOM 469 O THR A 36 4.645 -6.913 4.577 1.00 0.00 O ATOM 470 CB THR A 36 6.922 -7.406 2.332 1.00 0.00 C ATOM 471 OG1 THR A 36 7.898 -6.787 1.498 1.00 0.00 O ATOM 472 CG2 THR A 36 5.692 -7.538 1.431 1.00 0.00 C ATOM 0 H THR A 36 8.806 -6.433 3.479 1.00 0.00 H new ATOM 0 HA THR A 36 6.148 -5.557 3.072 1.00 0.00 H new ATOM 0 HB THR A 36 7.171 -8.381 2.751 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.095 -7.371 0.736 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.895 -8.263 0.642 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.841 -7.875 2.024 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.463 -6.570 0.984 1.00 0.00 H new ATOM 480 N LYS A 37 6.571 -7.467 5.625 1.00 0.00 N ATOM 481 CA LYS A 37 5.906 -8.030 6.788 1.00 0.00 C ATOM 482 C LYS A 37 5.408 -6.894 7.685 1.00 0.00 C ATOM 483 O LYS A 37 4.219 -6.814 7.988 1.00 0.00 O ATOM 484 CB LYS A 37 6.827 -9.020 7.504 1.00 0.00 C ATOM 485 CG LYS A 37 6.083 -10.313 7.844 1.00 0.00 C ATOM 486 CD LYS A 37 6.545 -11.463 6.948 1.00 0.00 C ATOM 487 CE LYS A 37 7.609 -12.311 7.649 1.00 0.00 C ATOM 488 NZ LYS A 37 8.568 -12.858 6.664 1.00 0.00 N ATOM 0 H LYS A 37 7.590 -7.502 5.657 1.00 0.00 H new ATOM 0 HA LYS A 37 5.031 -8.605 6.486 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.686 -9.246 6.872 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.213 -8.568 8.417 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.253 -10.571 8.889 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.010 -10.162 7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.692 -12.088 6.684 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.948 -11.064 6.017 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.139 -11.705 8.384 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.132 -13.127 8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.283 -13.431 7.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.060 -13.453 5.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.036 -12.076 6.164 1.00 0.00 H new ATOM 502 N ASP A 38 6.343 -6.044 8.083 1.00 0.00 N ATOM 503 CA ASP A 38 6.014 -4.917 8.939 1.00 0.00 C ATOM 504 C ASP A 38 4.790 -4.194 8.374 1.00 0.00 C ATOM 505 O ASP A 38 3.866 -3.858 9.114 1.00 0.00 O ATOM 506 CB ASP A 38 7.169 -3.916 8.999 1.00 0.00 C ATOM 507 CG ASP A 38 8.512 -4.503 9.439 1.00 0.00 C ATOM 508 OD1 ASP A 38 8.484 -5.609 10.021 1.00 0.00 O ATOM 509 OD2 ASP A 38 9.535 -3.833 9.182 1.00 0.00 O ATOM 0 H ASP A 38 7.328 -6.113 7.829 1.00 0.00 H new ATOM 0 HA ASP A 38 5.816 -5.300 9.940 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.292 -3.466 8.014 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.899 -3.113 9.685 1.00 0.00 H new ATOM 514 N ILE A 39 4.823 -3.975 7.068 1.00 0.00 N ATOM 515 CA ILE A 39 3.727 -3.297 6.395 1.00 0.00 C ATOM 516 C ILE A 39 2.477 -4.176 6.454 1.00 0.00 C ATOM 517 O ILE A 39 1.356 -3.669 6.442 1.00 0.00 O ATOM 518 CB ILE A 39 4.134 -2.901 4.974 1.00 0.00 C ATOM 519 CG1 ILE A 39 5.466 -2.147 4.975 1.00 0.00 C ATOM 520 CG2 ILE A 39 3.024 -2.103 4.288 1.00 0.00 C ATOM 521 CD1 ILE A 39 6.220 -2.366 3.662 1.00 0.00 C ATOM 0 H ILE A 39 5.591 -4.255 6.458 1.00 0.00 H new ATOM 0 HA ILE A 39 3.486 -2.364 6.904 1.00 0.00 H new ATOM 0 HB ILE A 39 4.280 -3.812 4.394 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.285 -1.082 5.122 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.079 -2.484 5.811 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.339 -1.834 3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.119 -2.709 4.236 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.822 -1.197 4.859 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.163 -1.820 3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.420 -3.429 3.530 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.615 -2.005 2.830 1.00 0.00 H new ATOM 533 N GLU A 40 2.710 -5.479 6.517 1.00 0.00 N ATOM 534 CA GLU A 40 1.616 -6.433 6.578 1.00 0.00 C ATOM 535 C GLU A 40 0.969 -6.411 7.964 1.00 0.00 C ATOM 536 O GLU A 40 -0.178 -5.992 8.111 1.00 0.00 O ATOM 537 CB GLU A 40 2.095 -7.841 6.219 1.00 0.00 C ATOM 538 CG GLU A 40 1.345 -8.899 7.030 1.00 0.00 C ATOM 539 CD GLU A 40 1.407 -10.264 6.341 1.00 0.00 C ATOM 540 OE1 GLU A 40 1.311 -10.275 5.095 1.00 0.00 O ATOM 541 OE2 GLU A 40 1.549 -11.265 7.077 1.00 0.00 O ATOM 0 H GLU A 40 3.641 -5.896 6.527 1.00 0.00 H new ATOM 0 HA GLU A 40 0.865 -6.142 5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.944 -8.020 5.154 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.165 -7.924 6.408 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.777 -8.971 8.028 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.305 -8.597 7.154 1.00 0.00 H new ATOM 548 N ASP A 41 1.733 -6.867 8.946 1.00 0.00 N ATOM 549 CA ASP A 41 1.249 -6.905 10.315 1.00 0.00 C ATOM 550 C ASP A 41 0.536 -5.589 10.636 1.00 0.00 C ATOM 551 O ASP A 41 -0.370 -5.557 11.468 1.00 0.00 O ATOM 552 CB ASP A 41 2.405 -7.069 11.304 1.00 0.00 C ATOM 553 CG ASP A 41 3.378 -8.204 10.978 1.00 0.00 C ATOM 554 OD1 ASP A 41 2.879 -9.300 10.644 1.00 0.00 O ATOM 555 OD2 ASP A 41 4.598 -7.950 11.071 1.00 0.00 O ATOM 0 H ASP A 41 2.684 -7.213 8.820 1.00 0.00 H new ATOM 0 HA ASP A 41 0.571 -7.753 10.409 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.963 -6.133 11.346 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.992 -7.239 12.298 1.00 0.00 H new ATOM 560 N VAL A 42 0.971 -4.537 9.959 1.00 0.00 N ATOM 561 CA VAL A 42 0.386 -3.223 10.161 1.00 0.00 C ATOM 562 C VAL A 42 -1.109 -3.280 9.840 1.00 0.00 C ATOM 563 O VAL A 42 -1.944 -3.024 10.706 1.00 0.00 O ATOM 564 CB VAL A 42 1.137 -2.181 9.329 1.00 0.00 C ATOM 565 CG1 VAL A 42 0.235 -0.992 8.995 1.00 0.00 C ATOM 566 CG2 VAL A 42 2.409 -1.721 10.045 1.00 0.00 C ATOM 0 H VAL A 42 1.722 -4.568 9.270 1.00 0.00 H new ATOM 0 HA VAL A 42 0.484 -2.918 11.203 1.00 0.00 H new ATOM 0 HB VAL A 42 1.432 -2.651 8.391 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.793 -0.267 8.403 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.627 -1.338 8.425 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.105 -0.523 9.918 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.924 -0.981 9.433 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.146 -1.278 11.005 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.065 -2.577 10.208 1.00 0.00 H new ATOM 576 N PHE A 43 -1.401 -3.616 8.592 1.00 0.00 N ATOM 577 CA PHE A 43 -2.780 -3.710 8.145 1.00 0.00 C ATOM 578 C PHE A 43 -3.419 -5.020 8.610 1.00 0.00 C ATOM 579 O PHE A 43 -4.643 -5.129 8.676 1.00 0.00 O ATOM 580 CB PHE A 43 -2.757 -3.683 6.615 1.00 0.00 C ATOM 581 CG PHE A 43 -2.529 -2.292 6.021 1.00 0.00 C ATOM 582 CD1 PHE A 43 -3.579 -1.445 5.849 1.00 0.00 C ATOM 583 CD2 PHE A 43 -1.275 -1.902 5.665 1.00 0.00 C ATOM 584 CE1 PHE A 43 -3.367 -0.154 5.297 1.00 0.00 C ATOM 585 CE2 PHE A 43 -1.063 -0.611 5.113 1.00 0.00 C ATOM 586 CZ PHE A 43 -2.113 0.236 4.941 1.00 0.00 C ATOM 0 H PHE A 43 -0.706 -3.827 7.876 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.362 -2.886 8.558 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.971 -4.351 6.262 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.702 -4.076 6.241 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.574 -1.754 6.132 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.441 -2.574 5.802 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.201 0.518 5.160 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.068 -0.302 4.830 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.952 1.218 4.522 1.00 0.00 H new ATOM 596 N TYR A 44 -2.563 -5.982 8.922 1.00 0.00 N ATOM 597 CA TYR A 44 -3.028 -7.280 9.380 1.00 0.00 C ATOM 598 C TYR A 44 -3.921 -7.138 10.614 1.00 0.00 C ATOM 599 O TYR A 44 -4.646 -8.066 10.970 1.00 0.00 O ATOM 600 CB TYR A 44 -1.773 -8.068 9.760 1.00 0.00 C ATOM 601 CG TYR A 44 -1.955 -9.586 9.715 1.00 0.00 C ATOM 602 CD1 TYR A 44 -1.794 -10.265 8.524 1.00 0.00 C ATOM 603 CD2 TYR A 44 -2.279 -10.277 10.865 1.00 0.00 C ATOM 604 CE1 TYR A 44 -1.964 -11.694 8.482 1.00 0.00 C ATOM 605 CE2 TYR A 44 -2.450 -11.706 10.822 1.00 0.00 C ATOM 606 CZ TYR A 44 -2.284 -12.344 9.633 1.00 0.00 C ATOM 607 OH TYR A 44 -2.445 -13.694 9.592 1.00 0.00 O ATOM 0 H TYR A 44 -1.549 -5.888 8.866 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.612 -7.774 8.604 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.963 -7.789 9.086 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.465 -7.779 10.765 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.541 -9.724 7.624 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.404 -9.746 11.797 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.840 -12.238 7.557 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.704 -12.259 11.714 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.671 -14.024 10.487 1.00 0.00 H new ATOM 617 N LYS A 45 -3.840 -5.969 11.232 1.00 0.00 N ATOM 618 CA LYS A 45 -4.632 -5.694 12.419 1.00 0.00 C ATOM 619 C LYS A 45 -6.095 -5.498 12.017 1.00 0.00 C ATOM 620 O LYS A 45 -6.988 -5.565 12.860 1.00 0.00 O ATOM 621 CB LYS A 45 -4.044 -4.512 13.193 1.00 0.00 C ATOM 622 CG LYS A 45 -4.496 -3.181 12.590 1.00 0.00 C ATOM 623 CD LYS A 45 -4.126 -2.011 13.503 1.00 0.00 C ATOM 624 CE LYS A 45 -5.198 -1.789 14.572 1.00 0.00 C ATOM 625 NZ LYS A 45 -4.780 -0.725 15.512 1.00 0.00 N ATOM 0 H LYS A 45 -3.238 -5.201 10.933 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.600 -6.542 13.103 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.354 -4.566 14.237 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.956 -4.570 13.180 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.033 -3.045 11.613 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.574 -3.197 12.432 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.166 -2.207 13.981 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.007 -1.105 12.909 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.141 -1.514 14.099 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.373 -2.716 15.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.519 -0.587 16.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.892 -1.002 15.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.635 0.163 14.990 1.00 0.00 H new ATOM 639 N TYR A 46 -6.295 -5.260 10.729 1.00 0.00 N ATOM 640 CA TYR A 46 -7.634 -5.054 10.205 1.00 0.00 C ATOM 641 C TYR A 46 -8.205 -6.354 9.635 1.00 0.00 C ATOM 642 O TYR A 46 -9.238 -6.837 10.096 1.00 0.00 O ATOM 643 CB TYR A 46 -7.492 -4.034 9.073 1.00 0.00 C ATOM 644 CG TYR A 46 -7.226 -2.606 9.553 1.00 0.00 C ATOM 645 CD1 TYR A 46 -5.946 -2.222 9.899 1.00 0.00 C ATOM 646 CD2 TYR A 46 -8.265 -1.702 9.639 1.00 0.00 C ATOM 647 CE1 TYR A 46 -5.696 -0.878 10.351 1.00 0.00 C ATOM 648 CE2 TYR A 46 -8.014 -0.358 10.090 1.00 0.00 C ATOM 649 CZ TYR A 46 -6.742 -0.012 10.424 1.00 0.00 C ATOM 650 OH TYR A 46 -6.505 1.258 10.850 1.00 0.00 O ATOM 0 H TYR A 46 -5.552 -5.205 10.033 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.306 -4.713 10.993 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.678 -4.344 8.418 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.403 -4.042 8.474 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.133 -2.929 9.831 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.266 -2.003 9.368 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -4.700 -0.565 10.626 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.818 0.359 10.161 1.00 0.00 H new ATOM 0 HH TYR A 46 -5.593 1.520 10.605 1.00 0.00 H new ATOM 660 N GLY A 47 -7.508 -6.884 8.640 1.00 0.00 N ATOM 661 CA GLY A 47 -7.933 -8.118 8.003 1.00 0.00 C ATOM 662 C GLY A 47 -6.728 -8.975 7.610 1.00 0.00 C ATOM 663 O GLY A 47 -5.708 -8.970 8.296 1.00 0.00 O ATOM 0 H GLY A 47 -6.652 -6.481 8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.577 -8.678 8.681 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.525 -7.889 7.117 1.00 0.00 H new ATOM 667 N ALA A 48 -6.886 -9.691 6.506 1.00 0.00 N ATOM 668 CA ALA A 48 -5.824 -10.551 6.013 1.00 0.00 C ATOM 669 C ALA A 48 -5.345 -10.036 4.655 1.00 0.00 C ATOM 670 O ALA A 48 -6.140 -9.536 3.860 1.00 0.00 O ATOM 671 CB ALA A 48 -6.326 -11.995 5.945 1.00 0.00 C ATOM 0 H ALA A 48 -7.734 -9.693 5.939 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.971 -10.534 6.691 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.529 -12.640 5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.626 -12.323 6.940 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.181 -12.052 5.271 1.00 0.00 H new ATOM 677 N ILE A 49 -4.046 -10.175 4.429 1.00 0.00 N ATOM 678 CA ILE A 49 -3.452 -9.729 3.180 1.00 0.00 C ATOM 679 C ILE A 49 -3.285 -10.928 2.244 1.00 0.00 C ATOM 680 O ILE A 49 -2.905 -12.013 2.681 1.00 0.00 O ATOM 681 CB ILE A 49 -2.150 -8.971 3.447 1.00 0.00 C ATOM 682 CG1 ILE A 49 -2.392 -7.774 4.369 1.00 0.00 C ATOM 683 CG2 ILE A 49 -1.477 -8.558 2.136 1.00 0.00 C ATOM 684 CD1 ILE A 49 -1.080 -7.280 4.981 1.00 0.00 C ATOM 0 H ILE A 49 -3.389 -10.590 5.090 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.109 -9.020 2.677 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.464 -9.642 3.964 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.862 -6.967 3.807 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.084 -8.056 5.162 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.554 -8.021 2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.249 -9.447 1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.148 -7.911 1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.280 -6.429 5.632 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.625 -8.082 5.562 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.399 -6.976 4.186 1.00 0.00 H new ATOM 696 N ARG A 50 -3.576 -10.691 0.974 1.00 0.00 N ATOM 697 CA ARG A 50 -3.463 -11.737 -0.028 1.00 0.00 C ATOM 698 C ARG A 50 -2.073 -11.712 -0.667 1.00 0.00 C ATOM 699 O ARG A 50 -1.548 -12.752 -1.061 1.00 0.00 O ATOM 700 CB ARG A 50 -4.522 -11.572 -1.120 1.00 0.00 C ATOM 701 CG ARG A 50 -4.274 -12.543 -2.276 1.00 0.00 C ATOM 702 CD ARG A 50 -5.594 -13.072 -2.840 1.00 0.00 C ATOM 703 NE ARG A 50 -5.415 -13.477 -4.252 1.00 0.00 N ATOM 704 CZ ARG A 50 -6.288 -14.230 -4.934 1.00 0.00 C ATOM 705 NH1 ARG A 50 -7.406 -14.666 -4.338 1.00 0.00 N ATOM 706 NH2 ARG A 50 -6.044 -14.548 -6.213 1.00 0.00 N ATOM 0 H ARG A 50 -3.890 -9.789 0.615 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.620 -12.693 0.472 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.513 -11.746 -0.700 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.509 -10.547 -1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.713 -12.040 -3.064 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.662 -13.376 -1.931 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.936 -13.922 -2.250 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.364 -12.303 -2.768 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.574 -13.163 -4.736 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.593 -14.425 -3.365 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.071 -15.239 -4.858 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.193 -14.217 -6.668 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.709 -15.121 -6.732 1.00 0.00 H new ATOM 720 N ASP A 51 -1.517 -10.512 -0.750 1.00 0.00 N ATOM 721 CA ASP A 51 -0.198 -10.338 -1.335 1.00 0.00 C ATOM 722 C ASP A 51 0.227 -8.875 -1.196 1.00 0.00 C ATOM 723 O ASP A 51 -0.618 -7.986 -1.092 1.00 0.00 O ATOM 724 CB ASP A 51 -0.205 -10.689 -2.824 1.00 0.00 C ATOM 725 CG ASP A 51 1.020 -11.467 -3.311 1.00 0.00 C ATOM 726 OD1 ASP A 51 1.000 -12.708 -3.162 1.00 0.00 O ATOM 727 OD2 ASP A 51 1.948 -10.802 -3.821 1.00 0.00 O ATOM 0 H ASP A 51 -1.955 -9.651 -0.422 1.00 0.00 H new ATOM 0 HA ASP A 51 0.493 -10.999 -0.812 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.098 -11.275 -3.039 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.283 -9.766 -3.399 1.00 0.00 H new ATOM 732 N ILE A 52 1.536 -8.669 -1.200 1.00 0.00 N ATOM 733 CA ILE A 52 2.083 -7.329 -1.076 1.00 0.00 C ATOM 734 C ILE A 52 3.134 -7.109 -2.166 1.00 0.00 C ATOM 735 O ILE A 52 4.234 -7.655 -2.092 1.00 0.00 O ATOM 736 CB ILE A 52 2.609 -7.094 0.341 1.00 0.00 C ATOM 737 CG1 ILE A 52 1.474 -7.160 1.365 1.00 0.00 C ATOM 738 CG2 ILE A 52 3.383 -5.777 0.428 1.00 0.00 C ATOM 739 CD1 ILE A 52 2.009 -7.511 2.755 1.00 0.00 C ATOM 0 H ILE A 52 2.234 -9.408 -1.287 1.00 0.00 H new ATOM 0 HA ILE A 52 1.303 -6.584 -1.229 1.00 0.00 H new ATOM 0 HB ILE A 52 3.308 -7.895 0.582 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.957 -6.201 1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.742 -7.905 1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.746 -5.635 1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.229 -5.806 -0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.726 -4.950 0.158 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.182 -7.551 3.464 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.504 -8.481 2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.722 -6.751 3.073 1.00 0.00 H new ATOM 751 N ASP A 53 2.759 -6.308 -3.153 1.00 0.00 N ATOM 752 CA ASP A 53 3.655 -6.009 -4.256 1.00 0.00 C ATOM 753 C ASP A 53 4.465 -4.755 -3.924 1.00 0.00 C ATOM 754 O ASP A 53 3.925 -3.650 -3.903 1.00 0.00 O ATOM 755 CB ASP A 53 2.873 -5.740 -5.543 1.00 0.00 C ATOM 756 CG ASP A 53 2.993 -6.828 -6.613 1.00 0.00 C ATOM 757 OD1 ASP A 53 3.973 -6.758 -7.386 1.00 0.00 O ATOM 758 OD2 ASP A 53 2.103 -7.705 -6.633 1.00 0.00 O ATOM 0 H ASP A 53 1.846 -5.857 -3.211 1.00 0.00 H new ATOM 0 HA ASP A 53 4.307 -6.870 -4.403 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.820 -5.614 -5.291 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.214 -4.796 -5.967 1.00 0.00 H new ATOM 763 N LEU A 54 5.749 -4.967 -3.673 1.00 0.00 N ATOM 764 CA LEU A 54 6.639 -3.867 -3.343 1.00 0.00 C ATOM 765 C LEU A 54 7.642 -3.669 -4.482 1.00 0.00 C ATOM 766 O LEU A 54 8.336 -4.606 -4.873 1.00 0.00 O ATOM 767 CB LEU A 54 7.294 -4.099 -1.980 1.00 0.00 C ATOM 768 CG LEU A 54 8.524 -3.241 -1.673 1.00 0.00 C ATOM 769 CD1 LEU A 54 8.129 -1.959 -0.938 1.00 0.00 C ATOM 770 CD2 LEU A 54 9.573 -4.044 -0.901 1.00 0.00 C ATOM 0 H LEU A 54 6.194 -5.885 -3.692 1.00 0.00 H new ATOM 0 HA LEU A 54 6.078 -2.938 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.548 -3.920 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.581 -5.148 -1.911 1.00 0.00 H new ATOM 0 HG LEU A 54 8.977 -2.943 -2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.021 -1.368 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.445 -1.380 -1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.638 -2.215 0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.437 -3.412 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.146 -4.391 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 54 9.885 -4.902 -1.496 1.00 0.00 H new ATOM 782 N LYS A 55 7.686 -2.443 -4.982 1.00 0.00 N ATOM 783 CA LYS A 55 8.592 -2.110 -6.068 1.00 0.00 C ATOM 784 C LYS A 55 9.951 -1.713 -5.488 1.00 0.00 C ATOM 785 O LYS A 55 10.357 -0.555 -5.584 1.00 0.00 O ATOM 786 CB LYS A 55 7.974 -1.042 -6.973 1.00 0.00 C ATOM 787 CG LYS A 55 6.822 -1.622 -7.796 1.00 0.00 C ATOM 788 CD LYS A 55 7.022 -1.347 -9.288 1.00 0.00 C ATOM 789 CE LYS A 55 5.679 -1.151 -9.994 1.00 0.00 C ATOM 790 NZ LYS A 55 5.847 -1.241 -11.462 1.00 0.00 N ATOM 0 H LYS A 55 7.109 -1.668 -4.655 1.00 0.00 H new ATOM 0 HA LYS A 55 8.758 -2.978 -6.706 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.611 -0.212 -6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.736 -0.640 -7.640 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.754 -2.697 -7.626 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.879 -1.187 -7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.639 -0.458 -9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.560 -2.177 -9.746 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.970 -1.907 -9.656 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.260 -0.180 -9.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.926 -1.106 -11.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.507 -0.504 -11.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.226 -2.177 -11.711 1.00 0.00 H new ATOM 880 N PRO A 61 10.573 7.410 -2.990 1.00 0.00 N ATOM 881 CA PRO A 61 10.305 6.586 -1.823 1.00 0.00 C ATOM 882 C PRO A 61 9.822 5.194 -2.234 1.00 0.00 C ATOM 883 O PRO A 61 9.368 4.997 -3.359 1.00 0.00 O ATOM 884 CB PRO A 61 9.269 7.362 -1.024 1.00 0.00 C ATOM 885 CG PRO A 61 8.655 8.358 -1.994 1.00 0.00 C ATOM 886 CD PRO A 61 9.544 8.417 -3.226 1.00 0.00 C ATOM 0 HA PRO A 61 11.197 6.403 -1.223 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.510 6.694 -0.617 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.730 7.873 -0.179 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.645 8.053 -2.266 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.577 9.342 -1.532 1.00 0.00 H new ATOM 0 HD2 PRO A 61 8.979 8.201 -4.133 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.981 9.408 -3.352 1.00 0.00 H new ATOM 894 N PRO A 62 9.941 4.238 -1.273 1.00 0.00 N ATOM 895 CA PRO A 62 9.522 2.869 -1.524 1.00 0.00 C ATOM 896 C PRO A 62 7.997 2.750 -1.503 1.00 0.00 C ATOM 897 O PRO A 62 7.354 3.137 -0.529 1.00 0.00 O ATOM 898 CB PRO A 62 10.197 2.047 -0.439 1.00 0.00 C ATOM 899 CG PRO A 62 10.589 3.033 0.649 1.00 0.00 C ATOM 900 CD PRO A 62 10.475 4.434 0.071 1.00 0.00 C ATOM 0 HA PRO A 62 9.812 2.514 -2.513 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.522 1.285 -0.050 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.072 1.528 -0.830 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.938 2.924 1.516 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.607 2.842 0.989 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.814 5.058 0.673 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.445 4.931 0.043 1.00 0.00 H new ATOM 908 N PHE A 63 7.463 2.212 -2.590 1.00 0.00 N ATOM 909 CA PHE A 63 6.025 2.037 -2.708 1.00 0.00 C ATOM 910 C PHE A 63 5.670 0.569 -2.954 1.00 0.00 C ATOM 911 O PHE A 63 6.489 -0.194 -3.465 1.00 0.00 O ATOM 912 CB PHE A 63 5.571 2.867 -3.911 1.00 0.00 C ATOM 913 CG PHE A 63 6.325 2.553 -5.204 1.00 0.00 C ATOM 914 CD1 PHE A 63 7.601 2.993 -5.372 1.00 0.00 C ATOM 915 CD2 PHE A 63 5.719 1.834 -6.187 1.00 0.00 C ATOM 916 CE1 PHE A 63 8.301 2.701 -6.573 1.00 0.00 C ATOM 917 CE2 PHE A 63 6.419 1.542 -7.388 1.00 0.00 C ATOM 918 CZ PHE A 63 7.695 1.982 -7.555 1.00 0.00 C ATOM 0 H PHE A 63 8.000 1.892 -3.396 1.00 0.00 H new ATOM 0 HA PHE A 63 5.535 2.353 -1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.506 2.700 -4.074 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.696 3.924 -3.678 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.082 3.565 -4.592 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.706 1.485 -6.054 1.00 0.00 H new ATOM 0 HE1 PHE A 63 9.314 3.050 -6.706 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.938 0.971 -8.168 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.227 1.760 -8.468 1.00 0.00 H new ATOM 928 N ALA A 64 4.449 0.218 -2.579 1.00 0.00 N ATOM 929 CA ALA A 64 3.976 -1.145 -2.752 1.00 0.00 C ATOM 930 C ALA A 64 2.446 -1.147 -2.795 1.00 0.00 C ATOM 931 O ALA A 64 1.811 -0.149 -2.460 1.00 0.00 O ATOM 932 CB ALA A 64 4.529 -2.024 -1.629 1.00 0.00 C ATOM 0 H ALA A 64 3.773 0.854 -2.156 1.00 0.00 H new ATOM 0 HA ALA A 64 4.333 -1.559 -3.695 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.174 -3.046 -1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.618 -2.011 -1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.189 -1.641 -0.667 1.00 0.00 H new ATOM 938 N PHE A 65 1.900 -2.281 -3.210 1.00 0.00 N ATOM 939 CA PHE A 65 0.457 -2.426 -3.301 1.00 0.00 C ATOM 940 C PHE A 65 -0.025 -3.629 -2.488 1.00 0.00 C ATOM 941 O PHE A 65 0.260 -4.773 -2.836 1.00 0.00 O ATOM 942 CB PHE A 65 0.123 -2.657 -4.777 1.00 0.00 C ATOM 943 CG PHE A 65 0.439 -1.463 -5.680 1.00 0.00 C ATOM 944 CD1 PHE A 65 1.731 -1.110 -5.914 1.00 0.00 C ATOM 945 CD2 PHE A 65 -0.573 -0.755 -6.249 1.00 0.00 C ATOM 946 CE1 PHE A 65 2.024 -0.002 -6.753 1.00 0.00 C ATOM 947 CE2 PHE A 65 -0.281 0.353 -7.087 1.00 0.00 C ATOM 948 CZ PHE A 65 1.012 0.706 -7.322 1.00 0.00 C ATOM 0 H PHE A 65 2.430 -3.107 -3.487 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.032 -1.535 -2.907 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.677 -3.525 -5.133 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.937 -2.897 -4.866 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.535 -1.672 -5.462 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.599 -1.036 -6.063 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.050 0.278 -6.939 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.085 0.916 -7.538 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.234 1.548 -7.960 1.00 0.00 H new ATOM 958 N VAL A 66 -0.747 -3.328 -1.418 1.00 0.00 N ATOM 959 CA VAL A 66 -1.272 -4.370 -0.552 1.00 0.00 C ATOM 960 C VAL A 66 -2.665 -4.777 -1.037 1.00 0.00 C ATOM 961 O VAL A 66 -3.507 -3.922 -1.305 1.00 0.00 O ATOM 962 CB VAL A 66 -1.260 -3.896 0.903 1.00 0.00 C ATOM 963 CG1 VAL A 66 -1.830 -4.968 1.833 1.00 0.00 C ATOM 964 CG2 VAL A 66 0.149 -3.488 1.335 1.00 0.00 C ATOM 0 H VAL A 66 -0.981 -2.377 -1.131 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.641 -5.257 -0.596 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.900 -3.016 0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.810 -4.606 2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.858 -5.189 1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.229 -5.874 1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.129 -3.155 2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.820 -4.342 1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.503 -2.676 0.700 1.00 0.00 H new ATOM 974 N GLU A 67 -2.864 -6.083 -1.135 1.00 0.00 N ATOM 975 CA GLU A 67 -4.140 -6.614 -1.583 1.00 0.00 C ATOM 976 C GLU A 67 -4.877 -7.278 -0.418 1.00 0.00 C ATOM 977 O GLU A 67 -4.268 -7.983 0.385 1.00 0.00 O ATOM 978 CB GLU A 67 -3.949 -7.595 -2.742 1.00 0.00 C ATOM 979 CG GLU A 67 -5.217 -7.691 -3.593 1.00 0.00 C ATOM 980 CD GLU A 67 -4.938 -7.282 -5.040 1.00 0.00 C ATOM 981 OE1 GLU A 67 -3.770 -7.434 -5.459 1.00 0.00 O ATOM 982 OE2 GLU A 67 -5.900 -6.825 -5.696 1.00 0.00 O ATOM 0 H GLU A 67 -2.163 -6.789 -0.912 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.748 -5.786 -1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.114 -7.272 -3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.693 -8.580 -2.351 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.600 -8.711 -3.567 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.991 -7.049 -3.173 1.00 0.00 H new ATOM 989 N PHE A 68 -6.177 -7.029 -0.364 1.00 0.00 N ATOM 990 CA PHE A 68 -7.003 -7.594 0.690 1.00 0.00 C ATOM 991 C PHE A 68 -7.951 -8.658 0.132 1.00 0.00 C ATOM 992 O PHE A 68 -8.409 -8.552 -1.005 1.00 0.00 O ATOM 993 CB PHE A 68 -7.831 -6.447 1.273 1.00 0.00 C ATOM 994 CG PHE A 68 -7.209 -5.800 2.512 1.00 0.00 C ATOM 995 CD1 PHE A 68 -7.437 -6.331 3.743 1.00 0.00 C ATOM 996 CD2 PHE A 68 -6.430 -4.693 2.383 1.00 0.00 C ATOM 997 CE1 PHE A 68 -6.861 -5.730 4.894 1.00 0.00 C ATOM 998 CE2 PHE A 68 -5.853 -4.092 3.533 1.00 0.00 C ATOM 999 CZ PHE A 68 -6.081 -4.623 4.764 1.00 0.00 C ATOM 0 H PHE A 68 -6.679 -6.444 -1.032 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.373 -8.065 1.444 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.967 -5.684 0.506 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.822 -6.821 1.530 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.056 -7.210 3.846 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.250 -4.271 1.405 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -7.042 -6.152 5.872 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.233 -3.213 3.430 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.643 -4.166 5.639 1.00 0.00 H new ATOM 1009 N GLU A 69 -8.217 -9.660 0.958 1.00 0.00 N ATOM 1010 CA GLU A 69 -9.101 -10.742 0.561 1.00 0.00 C ATOM 1011 C GLU A 69 -10.493 -10.197 0.233 1.00 0.00 C ATOM 1012 O GLU A 69 -11.071 -10.541 -0.797 1.00 0.00 O ATOM 1013 CB GLU A 69 -9.176 -11.816 1.649 1.00 0.00 C ATOM 1014 CG GLU A 69 -7.975 -12.760 1.570 1.00 0.00 C ATOM 1015 CD GLU A 69 -8.136 -13.757 0.421 1.00 0.00 C ATOM 1016 OE1 GLU A 69 -7.722 -13.400 -0.703 1.00 0.00 O ATOM 1017 OE2 GLU A 69 -8.669 -14.855 0.692 1.00 0.00 O ATOM 0 H GLU A 69 -7.836 -9.745 1.900 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.693 -11.207 -0.336 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.208 -11.343 2.631 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.099 -12.386 1.540 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.062 -12.182 1.429 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.869 -13.299 2.512 1.00 0.00 H new ATOM 1024 N ASP A 70 -10.990 -9.356 1.127 1.00 0.00 N ATOM 1025 CA ASP A 70 -12.303 -8.760 0.945 1.00 0.00 C ATOM 1026 C ASP A 70 -12.144 -7.265 0.661 1.00 0.00 C ATOM 1027 O ASP A 70 -11.137 -6.663 1.030 1.00 0.00 O ATOM 1028 CB ASP A 70 -13.157 -8.914 2.205 1.00 0.00 C ATOM 1029 CG ASP A 70 -13.852 -10.269 2.353 1.00 0.00 C ATOM 1030 OD1 ASP A 70 -14.302 -10.793 1.312 1.00 0.00 O ATOM 1031 OD2 ASP A 70 -13.918 -10.750 3.505 1.00 0.00 O ATOM 0 H ASP A 70 -10.507 -9.073 1.980 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.792 -9.268 0.114 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.524 -8.750 3.077 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.915 -8.131 2.210 1.00 0.00 H new ATOM 1036 N PRO A 71 -13.181 -6.694 -0.009 1.00 0.00 N ATOM 1037 CA PRO A 71 -13.167 -5.281 -0.346 1.00 0.00 C ATOM 1038 C PRO A 71 -13.445 -4.420 0.887 1.00 0.00 C ATOM 1039 O PRO A 71 -12.710 -3.474 1.167 1.00 0.00 O ATOM 1040 CB PRO A 71 -14.221 -5.125 -1.430 1.00 0.00 C ATOM 1041 CG PRO A 71 -15.106 -6.356 -1.331 1.00 0.00 C ATOM 1042 CD PRO A 71 -14.390 -7.376 -0.461 1.00 0.00 C ATOM 0 HA PRO A 71 -12.194 -4.943 -0.703 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.801 -4.214 -1.282 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.760 -5.053 -2.415 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -16.073 -6.097 -0.899 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -15.299 -6.768 -2.322 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -15.010 -7.683 0.381 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -14.149 -8.277 -1.024 1.00 0.00 H new ATOM 1050 N ARG A 72 -14.508 -4.778 1.592 1.00 0.00 N ATOM 1051 CA ARG A 72 -14.892 -4.049 2.789 1.00 0.00 C ATOM 1052 C ARG A 72 -13.657 -3.719 3.629 1.00 0.00 C ATOM 1053 O ARG A 72 -13.414 -2.557 3.951 1.00 0.00 O ATOM 1054 CB ARG A 72 -15.874 -4.861 3.637 1.00 0.00 C ATOM 1055 CG ARG A 72 -17.232 -4.979 2.941 1.00 0.00 C ATOM 1056 CD ARG A 72 -18.335 -5.313 3.947 1.00 0.00 C ATOM 1057 NE ARG A 72 -19.588 -5.646 3.232 1.00 0.00 N ATOM 1058 CZ ARG A 72 -20.670 -6.176 3.818 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -20.659 -6.438 5.132 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -21.762 -6.445 3.090 1.00 0.00 N ATOM 0 H ARG A 72 -15.115 -5.563 1.357 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.378 -3.126 2.473 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.467 -5.856 3.819 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.000 -4.385 4.610 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.468 -4.043 2.434 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -17.186 -5.753 2.175 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -18.028 -6.153 4.570 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.500 -4.466 4.613 1.00 0.00 H new ATOM 0 HE ARG A 72 -19.630 -5.460 2.230 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.827 -6.234 5.686 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -21.483 -6.841 5.578 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -21.770 -6.246 2.090 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -22.586 -6.849 3.536 1.00 0.00 H new ATOM 1074 N ASP A 73 -12.908 -4.761 3.959 1.00 0.00 N ATOM 1075 CA ASP A 73 -11.704 -4.596 4.754 1.00 0.00 C ATOM 1076 C ASP A 73 -10.714 -3.710 3.995 1.00 0.00 C ATOM 1077 O ASP A 73 -10.207 -2.731 4.540 1.00 0.00 O ATOM 1078 CB ASP A 73 -11.028 -5.943 5.017 1.00 0.00 C ATOM 1079 CG ASP A 73 -11.246 -6.513 6.420 1.00 0.00 C ATOM 1080 OD1 ASP A 73 -10.934 -5.781 7.384 1.00 0.00 O ATOM 1081 OD2 ASP A 73 -11.719 -7.667 6.496 1.00 0.00 O ATOM 0 H ASP A 73 -13.112 -5.723 3.690 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.987 -4.143 5.704 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.394 -6.665 4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.957 -5.834 4.848 1.00 0.00 H new ATOM 1086 N ALA A 74 -10.468 -4.086 2.749 1.00 0.00 N ATOM 1087 CA ALA A 74 -9.547 -3.338 1.909 1.00 0.00 C ATOM 1088 C ALA A 74 -9.764 -1.840 2.132 1.00 0.00 C ATOM 1089 O ALA A 74 -8.805 -1.071 2.176 1.00 0.00 O ATOM 1090 CB ALA A 74 -9.744 -3.745 0.447 1.00 0.00 C ATOM 0 H ALA A 74 -10.890 -4.899 2.300 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.514 -3.565 2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.054 -3.184 -0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.550 -4.812 0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.769 -3.529 0.144 1.00 0.00 H new ATOM 1096 N GLU A 75 -11.029 -1.471 2.265 1.00 0.00 N ATOM 1097 CA GLU A 75 -11.383 -0.078 2.482 1.00 0.00 C ATOM 1098 C GLU A 75 -11.095 0.324 3.930 1.00 0.00 C ATOM 1099 O GLU A 75 -10.270 1.200 4.182 1.00 0.00 O ATOM 1100 CB GLU A 75 -12.848 0.177 2.123 1.00 0.00 C ATOM 1101 CG GLU A 75 -13.179 -0.380 0.737 1.00 0.00 C ATOM 1102 CD GLU A 75 -14.237 0.477 0.039 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -13.906 1.639 -0.281 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -15.354 -0.049 -0.158 1.00 0.00 O ATOM 0 H GLU A 75 -11.822 -2.112 2.227 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.769 0.539 1.826 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -13.494 -0.286 2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.051 1.248 2.146 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.275 -0.414 0.129 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -13.539 -1.405 0.830 1.00 0.00 H new ATOM 1111 N ASP A 76 -11.792 -0.337 4.843 1.00 0.00 N ATOM 1112 CA ASP A 76 -11.621 -0.059 6.259 1.00 0.00 C ATOM 1113 C ASP A 76 -10.135 0.155 6.557 1.00 0.00 C ATOM 1114 O ASP A 76 -9.783 0.905 7.466 1.00 0.00 O ATOM 1115 CB ASP A 76 -12.111 -1.230 7.113 1.00 0.00 C ATOM 1116 CG ASP A 76 -13.629 -1.319 7.279 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -14.309 -0.392 6.789 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -14.076 -2.313 7.892 1.00 0.00 O ATOM 0 H ASP A 76 -12.476 -1.064 4.630 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.202 0.831 6.500 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.754 -2.159 6.668 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.656 -1.155 8.101 1.00 0.00 H new ATOM 1123 N ALA A 77 -9.305 -0.518 5.774 1.00 0.00 N ATOM 1124 CA ALA A 77 -7.866 -0.411 5.943 1.00 0.00 C ATOM 1125 C ALA A 77 -7.390 0.934 5.391 1.00 0.00 C ATOM 1126 O ALA A 77 -6.940 1.795 6.145 1.00 0.00 O ATOM 1127 CB ALA A 77 -7.182 -1.597 5.259 1.00 0.00 C ATOM 0 H ALA A 77 -9.601 -1.139 5.021 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.600 -0.446 7.000 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.102 -1.517 5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.532 -2.527 5.707 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.424 -1.593 4.196 1.00 0.00 H new ATOM 1133 N VAL A 78 -7.506 1.073 4.078 1.00 0.00 N ATOM 1134 CA VAL A 78 -7.094 2.299 3.416 1.00 0.00 C ATOM 1135 C VAL A 78 -7.645 3.500 4.187 1.00 0.00 C ATOM 1136 O VAL A 78 -7.006 4.549 4.249 1.00 0.00 O ATOM 1137 CB VAL A 78 -7.534 2.276 1.951 1.00 0.00 C ATOM 1138 CG1 VAL A 78 -8.945 2.846 1.793 1.00 0.00 C ATOM 1139 CG2 VAL A 78 -6.536 3.027 1.067 1.00 0.00 C ATOM 0 H VAL A 78 -7.879 0.357 3.455 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.007 2.385 3.414 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.555 1.237 1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.233 2.818 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.646 2.250 2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.963 3.877 2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.872 2.995 0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.468 4.064 1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.556 2.557 1.145 1.00 0.00 H new ATOM 1149 N TYR A 79 -8.827 3.306 4.755 1.00 0.00 N ATOM 1150 CA TYR A 79 -9.471 4.361 5.519 1.00 0.00 C ATOM 1151 C TYR A 79 -8.977 4.369 6.967 1.00 0.00 C ATOM 1152 O TYR A 79 -8.888 5.426 7.590 1.00 0.00 O ATOM 1153 CB TYR A 79 -10.967 4.037 5.505 1.00 0.00 C ATOM 1154 CG TYR A 79 -11.736 4.700 4.361 1.00 0.00 C ATOM 1155 CD1 TYR A 79 -12.284 5.954 4.533 1.00 0.00 C ATOM 1156 CD2 TYR A 79 -11.881 4.042 3.156 1.00 0.00 C ATOM 1157 CE1 TYR A 79 -13.009 6.578 3.455 1.00 0.00 C ATOM 1158 CE2 TYR A 79 -12.606 4.666 2.079 1.00 0.00 C ATOM 1159 CZ TYR A 79 -13.133 5.903 2.282 1.00 0.00 C ATOM 1160 OH TYR A 79 -13.817 6.491 1.264 1.00 0.00 O ATOM 0 H TYR A 79 -9.355 2.435 4.701 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.250 5.337 5.088 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.094 2.957 5.436 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.405 4.350 6.453 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -12.170 6.468 5.476 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.451 3.060 3.021 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -13.444 7.559 3.577 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -12.728 4.163 1.131 1.00 0.00 H new ATOM 0 HH TYR A 79 -13.824 5.894 0.487 1.00 0.00 H new ATOM 1170 N GLY A 80 -8.667 3.179 7.460 1.00 0.00 N ATOM 1171 CA GLY A 80 -8.184 3.036 8.823 1.00 0.00 C ATOM 1172 C GLY A 80 -6.812 3.693 8.989 1.00 0.00 C ATOM 1173 O GLY A 80 -6.674 4.675 9.716 1.00 0.00 O ATOM 0 H GLY A 80 -8.741 2.305 6.940 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.895 3.489 9.514 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.119 1.979 9.081 1.00 0.00 H new ATOM 1177 N ARG A 81 -5.831 3.123 8.304 1.00 0.00 N ATOM 1178 CA ARG A 81 -4.475 3.640 8.367 1.00 0.00 C ATOM 1179 C ARG A 81 -4.401 5.017 7.702 1.00 0.00 C ATOM 1180 O ARG A 81 -4.721 6.028 8.324 1.00 0.00 O ATOM 1181 CB ARG A 81 -3.492 2.694 7.675 1.00 0.00 C ATOM 1182 CG ARG A 81 -3.299 1.413 8.490 1.00 0.00 C ATOM 1183 CD ARG A 81 -2.601 1.709 9.819 1.00 0.00 C ATOM 1184 NE ARG A 81 -2.286 0.443 10.518 1.00 0.00 N ATOM 1185 CZ ARG A 81 -2.065 0.347 11.836 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -2.124 1.442 12.606 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -1.786 -0.843 12.384 1.00 0.00 N ATOM 0 H ARG A 81 -5.949 2.308 7.702 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.201 3.725 9.419 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.861 2.444 6.680 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.532 3.194 7.543 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.267 0.949 8.679 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -2.709 0.698 7.916 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.686 2.273 9.641 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.241 2.330 10.445 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.234 -0.410 9.961 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.337 2.348 12.189 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.956 1.370 13.609 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.742 -1.677 11.798 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.618 -0.916 13.387 1.00 0.00 H new ATOM 1201 N ASP A 82 -3.975 5.010 6.447 1.00 0.00 N ATOM 1202 CA ASP A 82 -3.855 6.245 5.692 1.00 0.00 C ATOM 1203 C ASP A 82 -3.270 7.334 6.594 1.00 0.00 C ATOM 1204 O ASP A 82 -4.006 8.023 7.298 1.00 0.00 O ATOM 1205 CB ASP A 82 -5.221 6.724 5.197 1.00 0.00 C ATOM 1206 CG ASP A 82 -5.316 8.225 4.913 1.00 0.00 C ATOM 1207 OD1 ASP A 82 -4.693 8.654 3.918 1.00 0.00 O ATOM 1208 OD2 ASP A 82 -6.010 8.908 5.696 1.00 0.00 O ATOM 0 H ASP A 82 -3.709 4.169 5.935 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.208 6.055 4.835 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.472 6.181 4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.973 6.462 5.941 1.00 0.00 H new ATOM 1213 N GLY A 83 -1.951 7.456 6.542 1.00 0.00 N ATOM 1214 CA GLY A 83 -1.259 8.450 7.345 1.00 0.00 C ATOM 1215 C GLY A 83 -0.845 7.869 8.699 1.00 0.00 C ATOM 1216 O GLY A 83 -0.884 8.562 9.714 1.00 0.00 O ATOM 0 H GLY A 83 -1.344 6.883 5.956 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.377 8.803 6.812 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.906 9.314 7.498 1.00 0.00 H new ATOM 1220 N TYR A 84 -0.458 6.602 8.669 1.00 0.00 N ATOM 1221 CA TYR A 84 -0.037 5.920 9.881 1.00 0.00 C ATOM 1222 C TYR A 84 1.413 6.265 10.229 1.00 0.00 C ATOM 1223 O TYR A 84 2.259 6.369 9.343 1.00 0.00 O ATOM 1224 CB TYR A 84 -0.134 4.423 9.579 1.00 0.00 C ATOM 1225 CG TYR A 84 0.401 3.526 10.696 1.00 0.00 C ATOM 1226 CD1 TYR A 84 -0.273 3.444 11.898 1.00 0.00 C ATOM 1227 CD2 TYR A 84 1.558 2.799 10.503 1.00 0.00 C ATOM 1228 CE1 TYR A 84 0.231 2.600 12.950 1.00 0.00 C ATOM 1229 CE2 TYR A 84 2.062 1.955 11.555 1.00 0.00 C ATOM 1230 CZ TYR A 84 1.373 1.897 12.727 1.00 0.00 C ATOM 1231 OH TYR A 84 1.849 1.100 13.721 1.00 0.00 O ATOM 0 H TYR A 84 -0.427 6.030 7.825 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.660 6.217 10.724 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.177 4.168 9.391 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.417 4.212 8.662 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.178 4.013 12.049 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.085 2.863 9.563 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.287 2.527 13.895 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.966 1.381 11.417 1.00 0.00 H new ATOM 0 HH TYR A 84 2.670 0.658 13.421 1.00 0.00 H new ATOM 1241 N ASP A 85 1.654 6.432 11.521 1.00 0.00 N ATOM 1242 CA ASP A 85 2.986 6.763 11.997 1.00 0.00 C ATOM 1243 C ASP A 85 3.777 5.473 12.222 1.00 0.00 C ATOM 1244 O ASP A 85 3.468 4.701 13.128 1.00 0.00 O ATOM 1245 CB ASP A 85 2.924 7.518 13.327 1.00 0.00 C ATOM 1246 CG ASP A 85 4.230 7.530 14.124 1.00 0.00 C ATOM 1247 OD1 ASP A 85 5.282 7.756 13.488 1.00 0.00 O ATOM 1248 OD2 ASP A 85 4.147 7.313 15.352 1.00 0.00 O ATOM 0 H ASP A 85 0.949 6.344 12.253 1.00 0.00 H new ATOM 0 HA ASP A 85 3.466 7.392 11.247 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.627 8.548 13.130 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.143 7.073 13.944 1.00 0.00 H new ATOM 1253 N TYR A 86 4.784 5.280 11.382 1.00 0.00 N ATOM 1254 CA TYR A 86 5.622 4.097 11.478 1.00 0.00 C ATOM 1255 C TYR A 86 7.041 4.464 11.916 1.00 0.00 C ATOM 1256 O TYR A 86 7.894 4.765 11.082 1.00 0.00 O ATOM 1257 CB TYR A 86 5.674 3.502 10.069 1.00 0.00 C ATOM 1258 CG TYR A 86 6.406 2.160 9.987 1.00 0.00 C ATOM 1259 CD1 TYR A 86 7.775 2.131 9.820 1.00 0.00 C ATOM 1260 CD2 TYR A 86 5.696 0.980 10.079 1.00 0.00 C ATOM 1261 CE1 TYR A 86 8.464 0.869 9.743 1.00 0.00 C ATOM 1262 CE2 TYR A 86 6.385 -0.282 10.002 1.00 0.00 C ATOM 1263 CZ TYR A 86 7.735 -0.275 9.838 1.00 0.00 C ATOM 1264 OH TYR A 86 8.385 -1.468 9.764 1.00 0.00 O ATOM 0 H TYR A 86 5.038 5.923 10.632 1.00 0.00 H new ATOM 0 HA TYR A 86 5.219 3.400 12.212 1.00 0.00 H new ATOM 0 HB2 TYR A 86 4.656 3.372 9.703 1.00 0.00 H new ATOM 0 HB3 TYR A 86 6.164 4.213 9.403 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.330 3.055 9.747 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.624 1.003 10.209 1.00 0.00 H new ATOM 0 HE1 TYR A 86 9.535 0.832 9.613 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.842 -1.213 10.073 1.00 0.00 H new ATOM 0 HH TYR A 86 8.373 -1.902 10.642 1.00 0.00 H new ATOM 1274 N ASP A 87 7.250 4.427 13.224 1.00 0.00 N ATOM 1275 CA ASP A 87 8.551 4.753 13.783 1.00 0.00 C ATOM 1276 C ASP A 87 8.886 6.212 13.468 1.00 0.00 C ATOM 1277 O ASP A 87 10.052 6.604 13.490 1.00 0.00 O ATOM 1278 CB ASP A 87 9.647 3.875 13.175 1.00 0.00 C ATOM 1279 CG ASP A 87 10.791 3.518 14.126 1.00 0.00 C ATOM 1280 OD1 ASP A 87 10.740 3.995 15.280 1.00 0.00 O ATOM 1281 OD2 ASP A 87 11.691 2.775 13.678 1.00 0.00 O ATOM 0 H ASP A 87 6.540 4.176 13.913 1.00 0.00 H new ATOM 0 HA ASP A 87 8.508 4.584 14.859 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.194 2.952 12.814 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.062 4.387 12.307 1.00 0.00 H new ATOM 1286 N GLY A 88 7.843 6.977 13.183 1.00 0.00 N ATOM 1287 CA GLY A 88 8.012 8.385 12.865 1.00 0.00 C ATOM 1288 C GLY A 88 7.784 8.641 11.373 1.00 0.00 C ATOM 1289 O GLY A 88 7.456 9.757 10.974 1.00 0.00 O ATOM 0 H GLY A 88 6.877 6.649 13.166 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.312 8.981 13.451 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.015 8.707 13.144 1.00 0.00 H new ATOM 1293 N TYR A 89 7.968 7.588 10.590 1.00 0.00 N ATOM 1294 CA TYR A 89 7.788 7.684 9.152 1.00 0.00 C ATOM 1295 C TYR A 89 6.305 7.622 8.780 1.00 0.00 C ATOM 1296 O TYR A 89 5.640 6.618 9.030 1.00 0.00 O ATOM 1297 CB TYR A 89 8.502 6.470 8.555 1.00 0.00 C ATOM 1298 CG TYR A 89 10.025 6.515 8.691 1.00 0.00 C ATOM 1299 CD1 TYR A 89 10.787 7.136 7.722 1.00 0.00 C ATOM 1300 CD2 TYR A 89 10.637 5.935 9.783 1.00 0.00 C ATOM 1301 CE1 TYR A 89 12.220 7.178 7.850 1.00 0.00 C ATOM 1302 CE2 TYR A 89 12.071 5.977 9.912 1.00 0.00 C ATOM 1303 CZ TYR A 89 12.792 6.597 8.939 1.00 0.00 C ATOM 1304 OH TYR A 89 14.146 6.637 9.060 1.00 0.00 O ATOM 0 H TYR A 89 8.240 6.664 10.925 1.00 0.00 H new ATOM 0 HA TYR A 89 8.185 8.628 8.778 1.00 0.00 H new ATOM 0 HB2 TYR A 89 8.131 5.568 9.041 1.00 0.00 H new ATOM 0 HB3 TYR A 89 8.244 6.393 7.499 1.00 0.00 H new ATOM 0 HD1 TYR A 89 10.308 7.591 6.867 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.041 5.449 10.541 1.00 0.00 H new ATOM 0 HE1 TYR A 89 12.828 7.660 7.098 1.00 0.00 H new ATOM 0 HE2 TYR A 89 12.563 5.527 10.762 1.00 0.00 H new ATOM 0 HH TYR A 89 14.414 6.184 9.887 1.00 0.00 H new ATOM 1314 N ARG A 90 5.830 8.709 8.189 1.00 0.00 N ATOM 1315 CA ARG A 90 4.438 8.790 7.781 1.00 0.00 C ATOM 1316 C ARG A 90 4.212 7.984 6.500 1.00 0.00 C ATOM 1317 O ARG A 90 5.024 8.038 5.578 1.00 0.00 O ATOM 1318 CB ARG A 90 4.018 10.242 7.542 1.00 0.00 C ATOM 1319 CG ARG A 90 3.028 10.710 8.611 1.00 0.00 C ATOM 1320 CD ARG A 90 2.622 12.167 8.383 1.00 0.00 C ATOM 1321 NE ARG A 90 2.849 12.955 9.615 1.00 0.00 N ATOM 1322 CZ ARG A 90 2.058 12.904 10.695 1.00 0.00 C ATOM 1323 NH1 ARG A 90 0.984 12.103 10.703 1.00 0.00 N ATOM 1324 NH2 ARG A 90 2.342 13.655 11.769 1.00 0.00 N ATOM 0 H ARG A 90 6.384 9.540 7.983 1.00 0.00 H new ATOM 0 HA ARG A 90 3.832 8.376 8.587 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.898 10.885 7.550 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.564 10.335 6.555 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.142 10.075 8.594 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.477 10.604 9.599 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.199 12.589 7.560 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.572 12.220 8.096 1.00 0.00 H new ATOM 0 HE ARG A 90 3.658 13.576 9.644 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.768 11.531 9.886 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.382 12.065 11.526 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.160 14.265 11.763 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.740 13.617 12.592 1.00 0.00 H new ATOM 1338 N LEU A 91 3.105 7.256 6.484 1.00 0.00 N ATOM 1339 CA LEU A 91 2.763 6.440 5.331 1.00 0.00 C ATOM 1340 C LEU A 91 1.545 7.044 4.628 1.00 0.00 C ATOM 1341 O LEU A 91 0.718 7.697 5.262 1.00 0.00 O ATOM 1342 CB LEU A 91 2.572 4.980 5.746 1.00 0.00 C ATOM 1343 CG LEU A 91 3.572 4.437 6.768 1.00 0.00 C ATOM 1344 CD1 LEU A 91 3.220 3.004 7.173 1.00 0.00 C ATOM 1345 CD2 LEU A 91 5.006 4.549 6.245 1.00 0.00 C ATOM 0 H LEU A 91 2.434 7.214 7.251 1.00 0.00 H new ATOM 0 HA LEU A 91 3.580 6.438 4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.568 4.868 6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.623 4.359 4.852 1.00 0.00 H new ATOM 0 HG LEU A 91 3.508 5.050 7.667 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.947 2.642 7.900 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.224 2.985 7.615 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.238 2.362 6.292 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.697 4.156 6.991 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.103 3.976 5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.241 5.595 6.048 1.00 0.00 H new ATOM 1357 N ARG A 92 1.475 6.805 3.327 1.00 0.00 N ATOM 1358 CA ARG A 92 0.372 7.317 2.531 1.00 0.00 C ATOM 1359 C ARG A 92 -0.409 6.162 1.901 1.00 0.00 C ATOM 1360 O ARG A 92 0.052 5.546 0.942 1.00 0.00 O ATOM 1361 CB ARG A 92 0.877 8.245 1.424 1.00 0.00 C ATOM 1362 CG ARG A 92 0.498 9.699 1.712 1.00 0.00 C ATOM 1363 CD ARG A 92 -0.742 10.111 0.915 1.00 0.00 C ATOM 1364 NE ARG A 92 -0.656 11.543 0.551 1.00 0.00 N ATOM 1365 CZ ARG A 92 -1.716 12.306 0.252 1.00 0.00 C ATOM 1366 NH1 ARG A 92 -2.948 11.780 0.272 1.00 0.00 N ATOM 1367 NH2 ARG A 92 -1.544 13.596 -0.068 1.00 0.00 N ATOM 0 H ARG A 92 2.164 6.264 2.804 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.282 7.883 3.195 1.00 0.00 H new ATOM 0 HB2 ARG A 92 1.960 8.158 1.338 1.00 0.00 H new ATOM 0 HB3 ARG A 92 0.455 7.938 0.467 1.00 0.00 H new ATOM 0 HG2 ARG A 92 0.308 9.825 2.778 1.00 0.00 H new ATOM 0 HG3 ARG A 92 1.332 10.353 1.458 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -0.824 9.503 0.014 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -1.640 9.930 1.505 1.00 0.00 H new ATOM 0 HE ARG A 92 0.267 11.976 0.526 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.079 10.798 0.515 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -3.755 12.361 0.044 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.606 13.997 -0.084 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.351 14.177 -0.296 1.00 0.00 H new ATOM 1381 N VAL A 93 -1.579 5.903 2.467 1.00 0.00 N ATOM 1382 CA VAL A 93 -2.429 4.833 1.973 1.00 0.00 C ATOM 1383 C VAL A 93 -3.580 5.434 1.164 1.00 0.00 C ATOM 1384 O VAL A 93 -4.367 6.221 1.687 1.00 0.00 O ATOM 1385 CB VAL A 93 -2.907 3.965 3.138 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -3.447 2.624 2.637 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -1.790 3.758 4.163 1.00 0.00 C ATOM 0 H VAL A 93 -1.958 6.416 3.263 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.869 4.178 1.305 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.723 4.491 3.634 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.780 2.026 3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.286 2.798 1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.660 2.091 2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.157 3.137 4.981 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.944 3.265 3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.472 4.724 4.555 1.00 0.00 H new ATOM 1397 N GLU A 94 -3.641 5.040 -0.100 1.00 0.00 N ATOM 1398 CA GLU A 94 -4.682 5.530 -0.987 1.00 0.00 C ATOM 1399 C GLU A 94 -4.844 4.592 -2.185 1.00 0.00 C ATOM 1400 O GLU A 94 -3.874 3.986 -2.639 1.00 0.00 O ATOM 1401 CB GLU A 94 -4.385 6.959 -1.446 1.00 0.00 C ATOM 1402 CG GLU A 94 -3.131 7.004 -2.321 1.00 0.00 C ATOM 1403 CD GLU A 94 -2.786 8.442 -2.712 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -3.701 9.128 -3.216 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -1.615 8.823 -2.497 1.00 0.00 O ATOM 0 H GLU A 94 -2.986 4.387 -0.531 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.622 5.549 -0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.236 7.350 -2.004 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.250 7.603 -0.577 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.293 6.558 -1.785 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.289 6.407 -3.219 1.00 0.00 H new ATOM 1412 N PHE A 95 -6.076 4.502 -2.663 1.00 0.00 N ATOM 1413 CA PHE A 95 -6.377 3.648 -3.800 1.00 0.00 C ATOM 1414 C PHE A 95 -5.710 4.174 -5.072 1.00 0.00 C ATOM 1415 O PHE A 95 -5.545 5.381 -5.238 1.00 0.00 O ATOM 1416 CB PHE A 95 -7.895 3.671 -3.987 1.00 0.00 C ATOM 1417 CG PHE A 95 -8.661 2.823 -2.970 1.00 0.00 C ATOM 1418 CD1 PHE A 95 -8.250 1.556 -2.694 1.00 0.00 C ATOM 1419 CD2 PHE A 95 -9.753 3.336 -2.341 1.00 0.00 C ATOM 1420 CE1 PHE A 95 -8.961 0.769 -1.750 1.00 0.00 C ATOM 1421 CE2 PHE A 95 -10.463 2.549 -1.397 1.00 0.00 C ATOM 1422 CZ PHE A 95 -10.053 1.282 -1.121 1.00 0.00 C ATOM 0 H PHE A 95 -6.878 5.006 -2.284 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.005 2.640 -3.617 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.243 4.702 -3.921 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.132 3.318 -4.991 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.383 1.149 -3.193 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.080 4.342 -2.560 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.635 -0.237 -1.531 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.329 2.957 -0.898 1.00 0.00 H new ATOM 0 HZ PHE A 95 -10.594 0.683 -0.403 1.00 0.00 H new ATOM 1432 N PRO A 96 -5.334 3.216 -5.962 1.00 0.00 N ATOM 1433 CA PRO A 96 -4.688 3.570 -7.214 1.00 0.00 C ATOM 1434 C PRO A 96 -5.699 4.145 -8.209 1.00 0.00 C ATOM 1435 O PRO A 96 -6.082 3.476 -9.167 1.00 0.00 O ATOM 1436 CB PRO A 96 -4.042 2.283 -7.701 1.00 0.00 C ATOM 1437 CG PRO A 96 -4.736 1.158 -6.950 1.00 0.00 C ATOM 1438 CD PRO A 96 -5.512 1.776 -5.799 1.00 0.00 C ATOM 0 HA PRO A 96 -3.941 4.355 -7.095 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.165 2.168 -8.778 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -2.971 2.284 -7.501 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.407 0.613 -7.614 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.005 0.441 -6.576 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.566 1.500 -5.839 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.130 1.436 -4.836 1.00 0.00 H new