USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=9 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 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.204 K(o=-0.2,f=-0.95) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0409 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+ 153:sc= 0.967 (180deg=-1.08!) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.704 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 180:sc= -0.882 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 263 N ARG A 24 -7.196 -3.899 -3.871 1.00 0.00 N ATOM 264 CA ARG A 24 -5.799 -3.518 -3.991 1.00 0.00 C ATOM 265 C ARG A 24 -5.617 -2.046 -3.615 1.00 0.00 C ATOM 266 O ARG A 24 -6.154 -1.161 -4.279 1.00 0.00 O ATOM 267 CB ARG A 24 -5.288 -3.740 -5.416 1.00 0.00 C ATOM 268 CG ARG A 24 -6.276 -3.188 -6.445 1.00 0.00 C ATOM 269 CD ARG A 24 -5.557 -2.781 -7.732 1.00 0.00 C ATOM 270 NE ARG A 24 -5.659 -3.865 -8.735 1.00 0.00 N ATOM 271 CZ ARG A 24 -5.139 -3.799 -9.968 1.00 0.00 C ATOM 272 NH1 ARG A 24 -4.476 -2.702 -10.358 1.00 0.00 N ATOM 273 NH2 ARG A 24 -5.281 -4.832 -10.810 1.00 0.00 N ATOM 0 HA ARG A 24 -5.224 -4.145 -3.309 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.320 -3.254 -5.539 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.134 -4.805 -5.589 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.032 -3.941 -6.669 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.798 -2.327 -6.028 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.995 -1.865 -8.129 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.509 -2.568 -7.521 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.156 -4.715 -8.471 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.367 -1.917 -9.716 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.080 -2.652 -11.297 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.785 -5.667 -10.512 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.886 -4.783 -11.749 1.00 0.00 H new ATOM 287 N ILE A 25 -4.858 -1.830 -2.551 1.00 0.00 N ATOM 288 CA ILE A 25 -4.598 -0.481 -2.078 1.00 0.00 C ATOM 289 C ILE A 25 -3.114 -0.157 -2.262 1.00 0.00 C ATOM 290 O ILE A 25 -2.276 -1.058 -2.275 1.00 0.00 O ATOM 291 CB ILE A 25 -5.090 -0.313 -0.639 1.00 0.00 C ATOM 292 CG1 ILE A 25 -4.367 -1.276 0.304 1.00 0.00 C ATOM 293 CG2 ILE A 25 -6.611 -0.465 -0.559 1.00 0.00 C ATOM 294 CD1 ILE A 25 -4.219 -0.669 1.700 1.00 0.00 C ATOM 0 H ILE A 25 -4.414 -2.567 -2.003 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.158 0.244 -2.669 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.850 0.698 -0.311 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.921 -2.213 0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.383 -1.515 -0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.935 -0.341 0.474 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.086 0.293 -1.182 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.897 -1.456 -0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.702 -1.374 2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.644 0.255 1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.206 -0.454 2.110 1.00 0.00 H new ATOM 306 N TYR A 26 -2.834 1.130 -2.399 1.00 0.00 N ATOM 307 CA TYR A 26 -1.465 1.583 -2.581 1.00 0.00 C ATOM 308 C TYR A 26 -0.962 2.320 -1.338 1.00 0.00 C ATOM 309 O TYR A 26 -1.658 3.176 -0.795 1.00 0.00 O ATOM 310 CB TYR A 26 -1.498 2.559 -3.759 1.00 0.00 C ATOM 311 CG TYR A 26 -0.205 3.356 -3.942 1.00 0.00 C ATOM 312 CD1 TYR A 26 0.846 2.813 -4.653 1.00 0.00 C ATOM 313 CD2 TYR A 26 -0.089 4.618 -3.397 1.00 0.00 C ATOM 314 CE1 TYR A 26 2.063 3.563 -4.826 1.00 0.00 C ATOM 315 CE2 TYR A 26 1.128 5.369 -3.569 1.00 0.00 C ATOM 316 CZ TYR A 26 2.144 4.804 -4.275 1.00 0.00 C ATOM 317 OH TYR A 26 3.293 5.513 -4.438 1.00 0.00 O ATOM 0 H TYR A 26 -3.532 1.874 -2.388 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.800 0.737 -2.757 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.702 2.002 -4.674 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.325 3.255 -3.618 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.756 1.825 -5.080 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.911 5.043 -2.841 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.892 3.150 -5.381 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.231 6.358 -3.147 1.00 0.00 H new ATOM 0 HH TYR A 26 3.207 6.382 -3.992 1.00 0.00 H new ATOM 327 N VAL A 27 0.244 1.960 -0.924 1.00 0.00 N ATOM 328 CA VAL A 27 0.849 2.576 0.245 1.00 0.00 C ATOM 329 C VAL A 27 2.069 3.393 -0.188 1.00 0.00 C ATOM 330 O VAL A 27 2.978 2.866 -0.828 1.00 0.00 O ATOM 331 CB VAL A 27 1.186 1.506 1.285 1.00 0.00 C ATOM 332 CG1 VAL A 27 1.854 2.126 2.514 1.00 0.00 C ATOM 333 CG2 VAL A 27 -0.062 0.714 1.681 1.00 0.00 C ATOM 0 H VAL A 27 0.819 1.249 -1.377 1.00 0.00 H new ATOM 0 HA VAL A 27 0.149 3.263 0.720 1.00 0.00 H new ATOM 0 HB VAL A 27 1.895 0.812 0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.083 1.343 3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.776 2.624 2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.180 2.853 2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.205 -0.040 2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.804 1.391 2.104 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.478 0.226 0.800 1.00 0.00 H new ATOM 343 N GLY A 28 2.048 4.666 0.178 1.00 0.00 N ATOM 344 CA GLY A 28 3.141 5.561 -0.165 1.00 0.00 C ATOM 345 C GLY A 28 3.746 6.192 1.091 1.00 0.00 C ATOM 346 O GLY A 28 3.204 6.048 2.185 1.00 0.00 O ATOM 0 H GLY A 28 1.292 5.099 0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.910 5.011 -0.707 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.780 6.344 -0.832 1.00 0.00 H new ATOM 350 N ASN A 29 4.862 6.878 0.890 1.00 0.00 N ATOM 351 CA ASN A 29 5.547 7.532 1.992 1.00 0.00 C ATOM 352 C ASN A 29 5.902 6.491 3.055 1.00 0.00 C ATOM 353 O ASN A 29 5.333 6.495 4.146 1.00 0.00 O ATOM 354 CB ASN A 29 4.655 8.590 2.644 1.00 0.00 C ATOM 355 CG ASN A 29 4.961 9.983 2.090 1.00 0.00 C ATOM 356 OD1 ASN A 29 6.097 10.335 1.818 1.00 0.00 O ATOM 357 ND2 ASN A 29 3.887 10.753 1.938 1.00 0.00 N ATOM 0 H ASN A 29 5.309 6.995 -0.020 1.00 0.00 H new ATOM 0 HA ASN A 29 6.443 8.010 1.597 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.607 8.347 2.467 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.806 8.583 3.723 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.986 11.701 1.574 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.964 10.396 2.185 1.00 0.00 H new ATOM 364 N LEU A 30 6.840 5.625 2.701 1.00 0.00 N ATOM 365 CA LEU A 30 7.277 4.581 3.611 1.00 0.00 C ATOM 366 C LEU A 30 8.752 4.797 3.957 1.00 0.00 C ATOM 367 O LEU A 30 9.461 5.512 3.251 1.00 0.00 O ATOM 368 CB LEU A 30 6.978 3.200 3.026 1.00 0.00 C ATOM 369 CG LEU A 30 5.550 2.685 3.217 1.00 0.00 C ATOM 370 CD1 LEU A 30 5.229 1.576 2.213 1.00 0.00 C ATOM 371 CD2 LEU A 30 5.318 2.236 4.661 1.00 0.00 C ATOM 0 H LEU A 30 7.310 5.625 1.796 1.00 0.00 H new ATOM 0 HA LEU A 30 6.719 4.632 4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.194 3.225 1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.665 2.481 3.473 1.00 0.00 H new ATOM 0 HG LEU A 30 4.861 3.506 3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.208 1.227 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.328 1.963 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.922 0.746 2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.295 1.874 4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.014 1.435 4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.479 3.078 5.334 1.00 0.00 H new ATOM 383 N PRO A 31 9.182 4.148 5.073 1.00 0.00 N ATOM 384 CA PRO A 31 10.559 4.262 5.520 1.00 0.00 C ATOM 385 C PRO A 31 11.493 3.433 4.637 1.00 0.00 C ATOM 386 O PRO A 31 11.046 2.536 3.924 1.00 0.00 O ATOM 387 CB PRO A 31 10.542 3.796 6.967 1.00 0.00 C ATOM 388 CG PRO A 31 9.256 3.003 7.135 1.00 0.00 C ATOM 389 CD PRO A 31 8.370 3.292 5.934 1.00 0.00 C ATOM 0 HA PRO A 31 10.942 5.280 5.447 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.413 3.179 7.189 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.570 4.644 7.651 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.471 1.937 7.203 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.751 3.286 8.059 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.084 2.373 5.423 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.448 3.791 6.233 1.00 0.00 H new ATOM 397 N PRO A 32 12.808 3.772 4.714 1.00 0.00 N ATOM 398 CA PRO A 32 13.809 3.069 3.929 1.00 0.00 C ATOM 399 C PRO A 32 14.096 1.686 4.518 1.00 0.00 C ATOM 400 O PRO A 32 14.508 0.776 3.801 1.00 0.00 O ATOM 401 CB PRO A 32 15.025 3.981 3.936 1.00 0.00 C ATOM 402 CG PRO A 32 14.824 4.936 5.101 1.00 0.00 C ATOM 403 CD PRO A 32 13.374 4.829 5.546 1.00 0.00 C ATOM 0 HA PRO A 32 13.481 2.871 2.908 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.943 3.406 4.056 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.110 4.525 2.995 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.495 4.683 5.922 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.057 5.958 4.802 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.302 4.581 6.605 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.845 5.771 5.403 1.00 0.00 H new ATOM 411 N ASP A 33 13.866 1.573 5.818 1.00 0.00 N ATOM 412 CA ASP A 33 14.094 0.316 6.511 1.00 0.00 C ATOM 413 C ASP A 33 12.753 -0.380 6.751 1.00 0.00 C ATOM 414 O ASP A 33 12.528 -0.950 7.817 1.00 0.00 O ATOM 415 CB ASP A 33 14.756 0.549 7.871 1.00 0.00 C ATOM 416 CG ASP A 33 15.909 -0.400 8.200 1.00 0.00 C ATOM 417 OD1 ASP A 33 16.601 -0.807 7.242 1.00 0.00 O ATOM 418 OD2 ASP A 33 16.073 -0.699 9.403 1.00 0.00 O ATOM 0 H ASP A 33 13.524 2.331 6.409 1.00 0.00 H new ATOM 0 HA ASP A 33 14.749 -0.297 5.891 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.127 1.573 7.907 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.997 0.457 8.648 1.00 0.00 H new ATOM 423 N ILE A 34 11.898 -0.310 5.742 1.00 0.00 N ATOM 424 CA ILE A 34 10.585 -0.927 5.830 1.00 0.00 C ATOM 425 C ILE A 34 10.659 -2.356 5.289 1.00 0.00 C ATOM 426 O ILE A 34 11.534 -2.674 4.484 1.00 0.00 O ATOM 427 CB ILE A 34 9.537 -0.058 5.130 1.00 0.00 C ATOM 428 CG1 ILE A 34 8.121 -0.487 5.519 1.00 0.00 C ATOM 429 CG2 ILE A 34 9.743 -0.065 3.614 1.00 0.00 C ATOM 430 CD1 ILE A 34 7.789 -0.054 6.948 1.00 0.00 C ATOM 0 H ILE A 34 12.088 0.164 4.859 1.00 0.00 H new ATOM 0 HA ILE A 34 10.266 -0.996 6.870 1.00 0.00 H new ATOM 0 HB ILE A 34 9.665 0.971 5.467 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.402 -0.050 4.827 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.029 -1.570 5.433 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.985 0.560 3.141 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.733 0.325 3.380 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.657 -1.085 3.240 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.777 -0.372 7.199 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.495 -0.512 7.640 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.858 1.031 7.025 1.00 0.00 H new ATOM 442 N ARG A 35 9.730 -3.179 5.751 1.00 0.00 N ATOM 443 CA ARG A 35 9.680 -4.567 5.324 1.00 0.00 C ATOM 444 C ARG A 35 8.264 -4.933 4.876 1.00 0.00 C ATOM 445 O ARG A 35 7.286 -4.421 5.417 1.00 0.00 O ATOM 446 CB ARG A 35 10.110 -5.507 6.452 1.00 0.00 C ATOM 447 CG ARG A 35 11.634 -5.629 6.514 1.00 0.00 C ATOM 448 CD ARG A 35 12.102 -6.961 5.924 1.00 0.00 C ATOM 449 NE ARG A 35 13.558 -6.916 5.664 1.00 0.00 N ATOM 450 CZ ARG A 35 14.251 -7.913 5.099 1.00 0.00 C ATOM 451 NH1 ARG A 35 13.626 -9.040 4.731 1.00 0.00 N ATOM 452 NH2 ARG A 35 15.570 -7.785 4.901 1.00 0.00 N ATOM 0 H ARG A 35 9.005 -2.911 6.417 1.00 0.00 H new ATOM 0 HA ARG A 35 10.371 -4.682 4.489 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.733 -5.134 7.404 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.669 -6.492 6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.091 -4.804 5.967 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.967 -5.548 7.549 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.872 -7.774 6.613 1.00 0.00 H new ATOM 0 HD3 ARG A 35 11.565 -7.167 4.998 1.00 0.00 H new ATOM 0 HE ARG A 35 14.066 -6.073 5.932 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.622 -9.139 4.881 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.154 -9.799 4.301 1.00 0.00 H new ATOM 0 HH21 ARG A 35 16.047 -6.928 5.181 1.00 0.00 H new ATOM 0 HH22 ARG A 35 16.097 -8.545 4.471 1.00 0.00 H new ATOM 466 N THR A 36 8.199 -5.817 3.891 1.00 0.00 N ATOM 467 CA THR A 36 6.919 -6.258 3.364 1.00 0.00 C ATOM 468 C THR A 36 6.127 -7.002 4.441 1.00 0.00 C ATOM 469 O THR A 36 4.916 -7.182 4.313 1.00 0.00 O ATOM 470 CB THR A 36 7.187 -7.101 2.115 1.00 0.00 C ATOM 471 OG1 THR A 36 8.258 -6.425 1.463 1.00 0.00 O ATOM 472 CG2 THR A 36 6.037 -7.037 1.108 1.00 0.00 C ATOM 0 H THR A 36 9.013 -6.240 3.444 1.00 0.00 H new ATOM 0 HA THR A 36 6.297 -5.411 3.075 1.00 0.00 H new ATOM 0 HB THR A 36 7.357 -8.138 2.406 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.497 -6.906 0.643 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.278 -7.652 0.241 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.124 -7.408 1.574 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.888 -6.005 0.791 1.00 0.00 H new ATOM 480 N LYS A 37 6.841 -7.415 5.477 1.00 0.00 N ATOM 481 CA LYS A 37 6.220 -8.135 6.575 1.00 0.00 C ATOM 482 C LYS A 37 5.637 -7.132 7.572 1.00 0.00 C ATOM 483 O LYS A 37 4.433 -7.128 7.823 1.00 0.00 O ATOM 484 CB LYS A 37 7.212 -9.118 7.201 1.00 0.00 C ATOM 485 CG LYS A 37 6.583 -10.503 7.363 1.00 0.00 C ATOM 486 CD LYS A 37 7.236 -11.516 6.419 1.00 0.00 C ATOM 487 CE LYS A 37 6.451 -12.829 6.396 1.00 0.00 C ATOM 488 NZ LYS A 37 7.271 -13.912 5.809 1.00 0.00 N ATOM 0 H LYS A 37 7.845 -7.265 5.579 1.00 0.00 H new ATOM 0 HA LYS A 37 5.391 -8.742 6.211 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.102 -9.190 6.576 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.535 -8.745 8.173 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.693 -10.838 8.394 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.514 -10.447 7.159 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.286 -11.101 5.413 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.261 -11.706 6.737 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.152 -13.099 7.409 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.536 -12.703 5.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.724 -14.796 5.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.535 -13.659 4.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.132 -14.043 6.378 1.00 0.00 H new ATOM 502 N ASP A 38 6.519 -6.305 8.115 1.00 0.00 N ATOM 503 CA ASP A 38 6.106 -5.299 9.079 1.00 0.00 C ATOM 504 C ASP A 38 4.861 -4.579 8.558 1.00 0.00 C ATOM 505 O ASP A 38 3.962 -4.249 9.330 1.00 0.00 O ATOM 506 CB ASP A 38 7.204 -4.254 9.289 1.00 0.00 C ATOM 507 CG ASP A 38 8.497 -4.789 9.908 1.00 0.00 C ATOM 508 OD1 ASP A 38 8.381 -5.630 10.826 1.00 0.00 O ATOM 509 OD2 ASP A 38 9.572 -4.346 9.449 1.00 0.00 O ATOM 0 H ASP A 38 7.517 -6.311 7.906 1.00 0.00 H new ATOM 0 HA ASP A 38 5.901 -5.802 10.024 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.441 -3.799 8.327 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.813 -3.462 9.928 1.00 0.00 H new ATOM 514 N ILE A 39 4.849 -4.356 7.252 1.00 0.00 N ATOM 515 CA ILE A 39 3.729 -3.681 6.619 1.00 0.00 C ATOM 516 C ILE A 39 2.521 -4.619 6.595 1.00 0.00 C ATOM 517 O ILE A 39 1.384 -4.177 6.757 1.00 0.00 O ATOM 518 CB ILE A 39 4.129 -3.160 5.237 1.00 0.00 C ATOM 519 CG1 ILE A 39 5.375 -2.275 5.324 1.00 0.00 C ATOM 520 CG2 ILE A 39 2.960 -2.439 4.563 1.00 0.00 C ATOM 521 CD1 ILE A 39 6.057 -2.152 3.960 1.00 0.00 C ATOM 0 H ILE A 39 5.597 -4.631 6.615 1.00 0.00 H new ATOM 0 HA ILE A 39 3.440 -2.802 7.195 1.00 0.00 H new ATOM 0 HB ILE A 39 4.384 -4.015 4.611 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.098 -1.285 5.686 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.074 -2.695 6.047 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.271 -2.079 3.582 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.125 -3.130 4.447 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.650 -1.594 5.178 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.939 -1.518 4.050 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.355 -3.141 3.612 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.364 -1.709 3.245 1.00 0.00 H new ATOM 533 N GLU A 40 2.807 -5.897 6.393 1.00 0.00 N ATOM 534 CA GLU A 40 1.758 -6.901 6.347 1.00 0.00 C ATOM 535 C GLU A 40 0.976 -6.912 7.662 1.00 0.00 C ATOM 536 O GLU A 40 -0.246 -6.769 7.662 1.00 0.00 O ATOM 537 CB GLU A 40 2.336 -8.284 6.041 1.00 0.00 C ATOM 538 CG GLU A 40 1.714 -9.351 6.945 1.00 0.00 C ATOM 539 CD GLU A 40 2.078 -10.757 6.464 1.00 0.00 C ATOM 540 OE1 GLU A 40 1.899 -11.006 5.252 1.00 0.00 O ATOM 541 OE2 GLU A 40 2.526 -11.551 7.319 1.00 0.00 O ATOM 0 H GLU A 40 3.751 -6.260 6.259 1.00 0.00 H new ATOM 0 HA GLU A 40 1.071 -6.644 5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.153 -8.536 4.996 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.417 -8.269 6.180 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.060 -9.212 7.969 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.630 -9.236 6.957 1.00 0.00 H new ATOM 548 N ASP A 41 1.712 -7.084 8.750 1.00 0.00 N ATOM 549 CA ASP A 41 1.102 -7.116 10.068 1.00 0.00 C ATOM 550 C ASP A 41 0.373 -5.795 10.321 1.00 0.00 C ATOM 551 O ASP A 41 -0.753 -5.788 10.815 1.00 0.00 O ATOM 552 CB ASP A 41 2.160 -7.288 11.160 1.00 0.00 C ATOM 553 CG ASP A 41 2.940 -8.603 11.104 1.00 0.00 C ATOM 554 OD1 ASP A 41 2.293 -9.635 10.821 1.00 0.00 O ATOM 555 OD2 ASP A 41 4.165 -8.547 11.345 1.00 0.00 O ATOM 0 H ASP A 41 2.725 -7.203 8.746 1.00 0.00 H new ATOM 0 HA ASP A 41 0.411 -7.958 10.099 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.867 -6.461 11.094 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.673 -7.213 12.132 1.00 0.00 H new ATOM 560 N VAL A 42 1.045 -4.708 9.969 1.00 0.00 N ATOM 561 CA VAL A 42 0.475 -3.384 10.151 1.00 0.00 C ATOM 562 C VAL A 42 -0.991 -3.401 9.715 1.00 0.00 C ATOM 563 O VAL A 42 -1.872 -2.993 10.471 1.00 0.00 O ATOM 564 CB VAL A 42 1.311 -2.347 9.398 1.00 0.00 C ATOM 565 CG1 VAL A 42 0.551 -1.026 9.260 1.00 0.00 C ATOM 566 CG2 VAL A 42 2.663 -2.132 10.081 1.00 0.00 C ATOM 0 H VAL A 42 1.979 -4.718 9.559 1.00 0.00 H new ATOM 0 HA VAL A 42 0.498 -3.099 11.203 1.00 0.00 H new ATOM 0 HB VAL A 42 1.499 -2.732 8.396 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.167 -0.306 8.721 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.375 -1.195 8.710 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.318 -0.635 10.250 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.237 -1.390 9.526 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.504 -1.779 11.100 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.212 -3.073 10.105 1.00 0.00 H new ATOM 576 N PHE A 43 -1.208 -3.876 8.497 1.00 0.00 N ATOM 577 CA PHE A 43 -2.553 -3.951 7.952 1.00 0.00 C ATOM 578 C PHE A 43 -3.317 -5.141 8.537 1.00 0.00 C ATOM 579 O PHE A 43 -4.517 -5.051 8.787 1.00 0.00 O ATOM 580 CB PHE A 43 -2.413 -4.144 6.441 1.00 0.00 C ATOM 581 CG PHE A 43 -2.228 -2.840 5.662 1.00 0.00 C ATOM 582 CD1 PHE A 43 -3.314 -2.159 5.208 1.00 0.00 C ATOM 583 CD2 PHE A 43 -0.977 -2.361 5.424 1.00 0.00 C ATOM 584 CE1 PHE A 43 -3.143 -0.949 4.485 1.00 0.00 C ATOM 585 CE2 PHE A 43 -0.806 -1.151 4.701 1.00 0.00 C ATOM 586 CZ PHE A 43 -1.893 -0.471 4.247 1.00 0.00 C ATOM 0 H PHE A 43 -0.475 -4.213 7.872 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.105 -3.043 8.197 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.562 -4.796 6.246 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.299 -4.656 6.067 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.307 -2.539 5.397 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.114 -2.901 5.785 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.006 -0.409 4.124 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.187 -0.771 4.512 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.763 0.449 3.697 1.00 0.00 H new ATOM 596 N TYR A 44 -2.588 -6.230 8.738 1.00 0.00 N ATOM 597 CA TYR A 44 -3.182 -7.436 9.289 1.00 0.00 C ATOM 598 C TYR A 44 -4.026 -7.117 10.524 1.00 0.00 C ATOM 599 O TYR A 44 -4.920 -7.882 10.884 1.00 0.00 O ATOM 600 CB TYR A 44 -2.012 -8.331 9.702 1.00 0.00 C ATOM 601 CG TYR A 44 -2.381 -9.808 9.856 1.00 0.00 C ATOM 602 CD1 TYR A 44 -2.548 -10.597 8.736 1.00 0.00 C ATOM 603 CD2 TYR A 44 -2.548 -10.350 11.114 1.00 0.00 C ATOM 604 CE1 TYR A 44 -2.896 -11.987 8.881 1.00 0.00 C ATOM 605 CE2 TYR A 44 -2.896 -11.740 11.258 1.00 0.00 C ATOM 606 CZ TYR A 44 -3.053 -12.490 10.134 1.00 0.00 C ATOM 607 OH TYR A 44 -3.382 -13.802 10.271 1.00 0.00 O ATOM 0 H TYR A 44 -1.592 -6.302 8.529 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.834 -7.912 8.557 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.219 -8.241 8.959 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.606 -7.968 10.646 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.418 -10.172 7.752 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.418 -9.732 11.990 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.029 -12.616 8.013 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.029 -12.177 12.237 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.460 -14.022 11.223 1.00 0.00 H new ATOM 617 N LYS A 45 -3.712 -5.987 11.140 1.00 0.00 N ATOM 618 CA LYS A 45 -4.431 -5.557 12.328 1.00 0.00 C ATOM 619 C LYS A 45 -5.918 -5.420 11.997 1.00 0.00 C ATOM 620 O LYS A 45 -6.756 -5.375 12.896 1.00 0.00 O ATOM 621 CB LYS A 45 -3.808 -4.282 12.899 1.00 0.00 C ATOM 622 CG LYS A 45 -4.335 -3.042 12.173 1.00 0.00 C ATOM 623 CD LYS A 45 -3.904 -1.762 12.892 1.00 0.00 C ATOM 624 CE LYS A 45 -2.421 -1.471 12.653 1.00 0.00 C ATOM 625 NZ LYS A 45 -2.239 -0.699 11.403 1.00 0.00 N ATOM 0 H LYS A 45 -2.969 -5.356 10.839 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.347 -6.305 13.116 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.033 -4.208 13.963 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.723 -4.329 12.805 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.963 -3.031 11.148 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.423 -3.084 12.117 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.504 -0.923 12.540 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.091 -1.861 13.961 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.014 -0.912 13.495 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.866 -2.407 12.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.370 -0.131 11.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.164 -1.354 10.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.054 -0.069 11.262 1.00 0.00 H new ATOM 639 N TYR A 46 -6.201 -5.358 10.704 1.00 0.00 N ATOM 640 CA TYR A 46 -7.573 -5.227 10.244 1.00 0.00 C ATOM 641 C TYR A 46 -8.143 -6.584 9.826 1.00 0.00 C ATOM 642 O TYR A 46 -9.167 -7.019 10.350 1.00 0.00 O ATOM 643 CB TYR A 46 -7.521 -4.310 9.020 1.00 0.00 C ATOM 644 CG TYR A 46 -7.539 -2.819 9.359 1.00 0.00 C ATOM 645 CD1 TYR A 46 -8.725 -2.204 9.704 1.00 0.00 C ATOM 646 CD2 TYR A 46 -6.369 -2.088 9.319 1.00 0.00 C ATOM 647 CE1 TYR A 46 -8.742 -0.799 10.023 1.00 0.00 C ATOM 648 CE2 TYR A 46 -6.386 -0.684 9.638 1.00 0.00 C ATOM 649 CZ TYR A 46 -7.572 -0.109 9.974 1.00 0.00 C ATOM 650 OH TYR A 46 -7.588 1.217 10.275 1.00 0.00 O ATOM 0 H TYR A 46 -5.504 -5.396 9.961 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.208 -4.831 11.037 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.618 -4.532 8.451 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.369 -4.535 8.374 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.641 -2.776 9.735 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.441 -2.569 9.048 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.663 -0.305 10.295 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.478 -0.101 9.611 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.681 1.581 10.200 1.00 0.00 H new ATOM 660 N GLY A 47 -7.454 -7.215 8.886 1.00 0.00 N ATOM 661 CA GLY A 47 -7.879 -8.514 8.392 1.00 0.00 C ATOM 662 C GLY A 47 -6.680 -9.341 7.922 1.00 0.00 C ATOM 663 O GLY A 47 -5.692 -9.473 8.642 1.00 0.00 O ATOM 0 H GLY A 47 -6.605 -6.851 8.454 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.409 -9.050 9.179 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.580 -8.382 7.568 1.00 0.00 H new ATOM 667 N ALA A 48 -6.807 -9.875 6.716 1.00 0.00 N ATOM 668 CA ALA A 48 -5.746 -10.685 6.141 1.00 0.00 C ATOM 669 C ALA A 48 -5.315 -10.079 4.804 1.00 0.00 C ATOM 670 O ALA A 48 -6.053 -9.298 4.206 1.00 0.00 O ATOM 671 CB ALA A 48 -6.228 -12.130 5.998 1.00 0.00 C ATOM 0 H ALA A 48 -7.628 -9.763 6.121 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.874 -10.695 6.794 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.433 -12.738 5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.494 -12.524 6.979 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.101 -12.159 5.346 1.00 0.00 H new ATOM 677 N ILE A 49 -4.122 -10.462 4.375 1.00 0.00 N ATOM 678 CA ILE A 49 -3.583 -9.965 3.120 1.00 0.00 C ATOM 679 C ILE A 49 -3.393 -11.136 2.153 1.00 0.00 C ATOM 680 O ILE A 49 -3.012 -12.231 2.566 1.00 0.00 O ATOM 681 CB ILE A 49 -2.308 -9.157 3.366 1.00 0.00 C ATOM 682 CG1 ILE A 49 -2.597 -7.922 4.221 1.00 0.00 C ATOM 683 CG2 ILE A 49 -1.626 -8.794 2.045 1.00 0.00 C ATOM 684 CD1 ILE A 49 -1.335 -7.445 4.941 1.00 0.00 C ATOM 0 H ILE A 49 -3.513 -11.111 4.874 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.284 -9.274 2.651 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.612 -9.780 3.927 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.985 -7.122 3.591 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.371 -8.155 4.952 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.722 -8.220 2.248 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.364 -9.706 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.306 -8.198 1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.569 -6.566 5.542 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.964 -8.239 5.589 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.571 -7.190 4.206 1.00 0.00 H new ATOM 696 N ARG A 50 -3.667 -10.866 0.885 1.00 0.00 N ATOM 697 CA ARG A 50 -3.531 -11.883 -0.143 1.00 0.00 C ATOM 698 C ARG A 50 -2.103 -11.894 -0.693 1.00 0.00 C ATOM 699 O ARG A 50 -1.552 -12.956 -0.980 1.00 0.00 O ATOM 700 CB ARG A 50 -4.511 -11.639 -1.292 1.00 0.00 C ATOM 701 CG ARG A 50 -4.276 -12.632 -2.433 1.00 0.00 C ATOM 702 CD ARG A 50 -5.592 -12.992 -3.125 1.00 0.00 C ATOM 703 NE ARG A 50 -5.851 -14.444 -2.996 1.00 0.00 N ATOM 704 CZ ARG A 50 -6.714 -15.124 -3.762 1.00 0.00 C ATOM 705 NH1 ARG A 50 -7.406 -14.489 -4.718 1.00 0.00 N ATOM 706 NH2 ARG A 50 -6.885 -16.440 -3.573 1.00 0.00 N ATOM 0 H ARG A 50 -3.983 -9.957 0.546 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.756 -12.847 0.313 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.534 -11.733 -0.928 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.397 -10.620 -1.662 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.585 -12.202 -3.158 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.807 -13.535 -2.043 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.412 -12.427 -2.682 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.547 -12.714 -4.178 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.340 -14.959 -2.279 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.275 -13.488 -4.862 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.063 -15.007 -5.301 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.358 -16.924 -2.846 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.542 -16.958 -4.156 1.00 0.00 H new ATOM 720 N ASP A 51 -1.544 -10.700 -0.823 1.00 0.00 N ATOM 721 CA ASP A 51 -0.191 -10.558 -1.334 1.00 0.00 C ATOM 722 C ASP A 51 0.236 -9.092 -1.236 1.00 0.00 C ATOM 723 O ASP A 51 -0.608 -8.200 -1.161 1.00 0.00 O ATOM 724 CB ASP A 51 -0.110 -10.977 -2.803 1.00 0.00 C ATOM 725 CG ASP A 51 1.309 -11.144 -3.351 1.00 0.00 C ATOM 726 OD1 ASP A 51 1.990 -12.084 -2.885 1.00 0.00 O ATOM 727 OD2 ASP A 51 1.680 -10.329 -4.222 1.00 0.00 O ATOM 0 H ASP A 51 -2.004 -9.822 -0.583 1.00 0.00 H new ATOM 0 HA ASP A 51 0.462 -11.197 -0.740 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.644 -11.919 -2.926 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.631 -10.234 -3.406 1.00 0.00 H new ATOM 732 N ILE A 52 1.545 -8.889 -1.239 1.00 0.00 N ATOM 733 CA ILE A 52 2.094 -7.547 -1.152 1.00 0.00 C ATOM 734 C ILE A 52 3.172 -7.370 -2.224 1.00 0.00 C ATOM 735 O ILE A 52 4.017 -8.245 -2.409 1.00 0.00 O ATOM 736 CB ILE A 52 2.586 -7.261 0.268 1.00 0.00 C ATOM 737 CG1 ILE A 52 1.447 -7.394 1.281 1.00 0.00 C ATOM 738 CG2 ILE A 52 3.267 -5.893 0.348 1.00 0.00 C ATOM 739 CD1 ILE A 52 1.992 -7.589 2.697 1.00 0.00 C ATOM 0 H ILE A 52 2.241 -9.632 -1.300 1.00 0.00 H new ATOM 0 HA ILE A 52 1.321 -6.805 -1.352 1.00 0.00 H new ATOM 0 HB ILE A 52 3.335 -8.009 0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.821 -6.503 1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.813 -8.239 1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.607 -5.715 1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.122 -5.872 -0.328 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.558 -5.116 0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.162 -7.681 3.397 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.598 -8.494 2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.605 -6.731 2.972 1.00 0.00 H new ATOM 751 N ASP A 53 3.108 -6.233 -2.900 1.00 0.00 N ATOM 752 CA ASP A 53 4.067 -5.931 -3.949 1.00 0.00 C ATOM 753 C ASP A 53 4.789 -4.625 -3.612 1.00 0.00 C ATOM 754 O ASP A 53 4.169 -3.564 -3.557 1.00 0.00 O ATOM 755 CB ASP A 53 3.370 -5.751 -5.298 1.00 0.00 C ATOM 756 CG ASP A 53 2.972 -7.051 -5.999 1.00 0.00 C ATOM 757 OD1 ASP A 53 3.403 -8.116 -5.507 1.00 0.00 O ATOM 758 OD2 ASP A 53 2.245 -6.951 -7.011 1.00 0.00 O ATOM 0 H ASP A 53 2.407 -5.509 -2.742 1.00 0.00 H new ATOM 0 HA ASP A 53 4.768 -6.763 -4.014 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.475 -5.147 -5.150 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.029 -5.187 -5.958 1.00 0.00 H new ATOM 763 N LEU A 54 6.091 -4.744 -3.394 1.00 0.00 N ATOM 764 CA LEU A 54 6.904 -3.586 -3.063 1.00 0.00 C ATOM 765 C LEU A 54 7.935 -3.360 -4.171 1.00 0.00 C ATOM 766 O LEU A 54 8.700 -4.263 -4.506 1.00 0.00 O ATOM 767 CB LEU A 54 7.521 -3.744 -1.672 1.00 0.00 C ATOM 768 CG LEU A 54 8.692 -2.814 -1.348 1.00 0.00 C ATOM 769 CD1 LEU A 54 8.209 -1.559 -0.618 1.00 0.00 C ATOM 770 CD2 LEU A 54 9.777 -3.552 -0.563 1.00 0.00 C ATOM 0 H LEU A 54 6.603 -5.625 -3.440 1.00 0.00 H new ATOM 0 HA LEU A 54 6.287 -2.689 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.739 -3.584 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.860 -4.774 -1.561 1.00 0.00 H new ATOM 0 HG LEU A 54 9.140 -2.488 -2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.061 -0.915 -0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.500 -1.022 -1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.722 -1.845 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.598 -2.868 -0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.359 -3.926 0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.149 -4.389 -1.155 1.00 0.00 H new ATOM 782 N LYS A 55 7.922 -2.149 -4.709 1.00 0.00 N ATOM 783 CA LYS A 55 8.847 -1.792 -5.771 1.00 0.00 C ATOM 784 C LYS A 55 10.227 -1.517 -5.170 1.00 0.00 C ATOM 785 O LYS A 55 11.200 -2.189 -5.509 1.00 0.00 O ATOM 786 CB LYS A 55 8.292 -0.629 -6.596 1.00 0.00 C ATOM 787 CG LYS A 55 7.423 -1.138 -7.747 1.00 0.00 C ATOM 788 CD LYS A 55 6.166 -1.833 -7.219 1.00 0.00 C ATOM 789 CE LYS A 55 5.379 -2.483 -8.359 1.00 0.00 C ATOM 790 NZ LYS A 55 5.807 -3.887 -8.550 1.00 0.00 N ATOM 0 H LYS A 55 7.285 -1.403 -4.429 1.00 0.00 H new ATOM 0 HA LYS A 55 8.963 -2.621 -6.469 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.704 0.028 -5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.115 -0.035 -6.993 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.139 -0.304 -8.389 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.996 -1.833 -8.361 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.445 -2.591 -6.487 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.535 -1.109 -6.703 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.312 -2.449 -8.138 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.532 -1.921 -9.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.263 -4.313 -9.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.820 -3.912 -8.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.639 -4.423 -7.675 1.00 0.00 H new ATOM 880 N PRO A 61 10.547 7.828 -2.400 1.00 0.00 N ATOM 881 CA PRO A 61 10.257 6.934 -1.292 1.00 0.00 C ATOM 882 C PRO A 61 9.805 5.562 -1.798 1.00 0.00 C ATOM 883 O PRO A 61 9.332 5.438 -2.926 1.00 0.00 O ATOM 884 CB PRO A 61 9.191 7.649 -0.479 1.00 0.00 C ATOM 885 CG PRO A 61 8.591 8.694 -1.405 1.00 0.00 C ATOM 886 CD PRO A 61 9.512 8.836 -2.606 1.00 0.00 C ATOM 0 HA PRO A 61 11.134 6.726 -0.678 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.429 6.950 -0.133 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.622 8.114 0.407 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.592 8.394 -1.723 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.488 9.648 -0.888 1.00 0.00 H new ATOM 0 HD2 PRO A 61 8.975 8.667 -3.539 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.940 9.837 -2.661 1.00 0.00 H new ATOM 894 N PRO A 62 9.970 4.541 -0.915 1.00 0.00 N ATOM 895 CA PRO A 62 9.584 3.184 -1.260 1.00 0.00 C ATOM 896 C PRO A 62 8.063 3.019 -1.219 1.00 0.00 C ATOM 897 O PRO A 62 7.416 3.434 -0.259 1.00 0.00 O ATOM 898 CB PRO A 62 10.305 2.301 -0.254 1.00 0.00 C ATOM 899 CG PRO A 62 10.692 3.214 0.898 1.00 0.00 C ATOM 900 CD PRO A 62 10.527 4.651 0.430 1.00 0.00 C ATOM 0 HA PRO A 62 9.863 2.914 -2.278 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.660 1.492 0.088 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.186 1.840 -0.700 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.062 3.021 1.766 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.722 3.028 1.203 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.862 5.208 1.090 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.482 5.177 0.421 1.00 0.00 H new ATOM 908 N PHE A 63 7.537 2.411 -2.273 1.00 0.00 N ATOM 909 CA PHE A 63 6.105 2.186 -2.369 1.00 0.00 C ATOM 910 C PHE A 63 5.797 0.706 -2.603 1.00 0.00 C ATOM 911 O PHE A 63 6.636 -0.033 -3.116 1.00 0.00 O ATOM 912 CB PHE A 63 5.605 2.994 -3.568 1.00 0.00 C ATOM 913 CG PHE A 63 6.334 2.682 -4.877 1.00 0.00 C ATOM 914 CD1 PHE A 63 7.616 3.097 -5.056 1.00 0.00 C ATOM 915 CD2 PHE A 63 5.699 1.990 -5.860 1.00 0.00 C ATOM 916 CE1 PHE A 63 8.292 2.807 -6.271 1.00 0.00 C ATOM 917 CE2 PHE A 63 6.375 1.700 -7.074 1.00 0.00 C ATOM 918 CZ PHE A 63 7.658 2.114 -7.254 1.00 0.00 C ATOM 0 H PHE A 63 8.077 2.068 -3.067 1.00 0.00 H new ATOM 0 HA PHE A 63 5.618 2.489 -1.442 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.540 2.803 -3.703 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.713 4.056 -3.348 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.120 3.647 -4.275 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.680 1.661 -5.717 1.00 0.00 H new ATOM 0 HE1 PHE A 63 9.310 3.137 -6.414 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.870 1.150 -7.855 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.173 1.892 -8.177 1.00 0.00 H new ATOM 928 N ALA A 64 4.591 0.317 -2.215 1.00 0.00 N ATOM 929 CA ALA A 64 4.162 -1.062 -2.375 1.00 0.00 C ATOM 930 C ALA A 64 2.633 -1.122 -2.349 1.00 0.00 C ATOM 931 O ALA A 64 1.978 -0.164 -1.941 1.00 0.00 O ATOM 932 CB ALA A 64 4.799 -1.925 -1.285 1.00 0.00 C ATOM 0 H ALA A 64 3.898 0.933 -1.790 1.00 0.00 H new ATOM 0 HA ALA A 64 4.491 -1.457 -3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.477 -2.959 -1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.885 -1.871 -1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.490 -1.560 -0.305 1.00 0.00 H new ATOM 938 N PHE A 65 2.110 -2.257 -2.788 1.00 0.00 N ATOM 939 CA PHE A 65 0.671 -2.455 -2.820 1.00 0.00 C ATOM 940 C PHE A 65 0.257 -3.615 -1.912 1.00 0.00 C ATOM 941 O PHE A 65 1.006 -4.576 -1.746 1.00 0.00 O ATOM 942 CB PHE A 65 0.297 -2.794 -4.264 1.00 0.00 C ATOM 943 CG PHE A 65 0.481 -1.633 -5.244 1.00 0.00 C ATOM 944 CD1 PHE A 65 1.732 -1.227 -5.590 1.00 0.00 C ATOM 945 CD2 PHE A 65 -0.607 -1.008 -5.768 1.00 0.00 C ATOM 946 CE1 PHE A 65 1.903 -0.150 -6.499 1.00 0.00 C ATOM 947 CE2 PHE A 65 -0.436 0.070 -6.677 1.00 0.00 C ATOM 948 CZ PHE A 65 0.815 0.476 -7.023 1.00 0.00 C ATOM 0 H PHE A 65 2.657 -3.049 -3.125 1.00 0.00 H new ATOM 0 HA PHE A 65 0.164 -1.556 -2.470 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.903 -3.637 -4.597 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.743 -3.119 -4.292 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.596 -1.724 -5.173 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.600 -1.331 -5.493 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.896 0.172 -6.774 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.300 0.567 -7.093 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.945 1.296 -7.714 1.00 0.00 H new ATOM 958 N VAL A 66 -0.936 -3.487 -1.349 1.00 0.00 N ATOM 959 CA VAL A 66 -1.459 -4.513 -0.462 1.00 0.00 C ATOM 960 C VAL A 66 -2.781 -5.040 -1.024 1.00 0.00 C ATOM 961 O VAL A 66 -3.708 -4.269 -1.266 1.00 0.00 O ATOM 962 CB VAL A 66 -1.590 -3.959 0.958 1.00 0.00 C ATOM 963 CG1 VAL A 66 -2.024 -5.054 1.935 1.00 0.00 C ATOM 964 CG2 VAL A 66 -0.286 -3.303 1.414 1.00 0.00 C ATOM 0 H VAL A 66 -1.555 -2.689 -1.490 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.771 -5.357 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.364 -3.192 0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.110 -4.634 2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.989 -5.456 1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.283 -5.853 1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.407 -2.918 2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.517 -4.040 1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.037 -2.483 0.741 1.00 0.00 H new ATOM 974 N GLU A 67 -2.825 -6.350 -1.213 1.00 0.00 N ATOM 975 CA GLU A 67 -4.019 -6.990 -1.742 1.00 0.00 C ATOM 976 C GLU A 67 -4.794 -7.678 -0.616 1.00 0.00 C ATOM 977 O GLU A 67 -4.255 -8.540 0.077 1.00 0.00 O ATOM 978 CB GLU A 67 -3.664 -7.982 -2.850 1.00 0.00 C ATOM 979 CG GLU A 67 -4.868 -8.245 -3.757 1.00 0.00 C ATOM 980 CD GLU A 67 -4.521 -7.968 -5.222 1.00 0.00 C ATOM 981 OE1 GLU A 67 -3.628 -7.122 -5.444 1.00 0.00 O ATOM 982 OE2 GLU A 67 -5.158 -8.608 -6.086 1.00 0.00 O ATOM 0 H GLU A 67 -2.054 -6.986 -1.010 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.657 -6.222 -2.179 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.837 -7.591 -3.442 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.325 -8.919 -2.409 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.193 -9.280 -3.646 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.703 -7.614 -3.452 1.00 0.00 H new ATOM 989 N PHE A 68 -6.047 -7.273 -0.470 1.00 0.00 N ATOM 990 CA PHE A 68 -6.901 -7.840 0.560 1.00 0.00 C ATOM 991 C PHE A 68 -7.860 -8.875 -0.033 1.00 0.00 C ATOM 992 O PHE A 68 -8.160 -8.837 -1.225 1.00 0.00 O ATOM 993 CB PHE A 68 -7.716 -6.687 1.150 1.00 0.00 C ATOM 994 CG PHE A 68 -7.046 -5.997 2.340 1.00 0.00 C ATOM 995 CD1 PHE A 68 -6.968 -6.633 3.539 1.00 0.00 C ATOM 996 CD2 PHE A 68 -6.529 -4.747 2.198 1.00 0.00 C ATOM 997 CE1 PHE A 68 -6.346 -5.993 4.643 1.00 0.00 C ATOM 998 CE2 PHE A 68 -5.907 -4.107 3.302 1.00 0.00 C ATOM 999 CZ PHE A 68 -5.829 -4.743 4.502 1.00 0.00 C ATOM 0 H PHE A 68 -6.491 -6.559 -1.048 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.293 -8.337 1.316 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.898 -5.948 0.370 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.689 -7.066 1.463 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.379 -7.625 3.652 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.592 -4.242 1.246 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.283 -6.499 5.595 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.496 -3.115 3.189 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.357 -4.256 5.342 1.00 0.00 H new ATOM 1009 N GLU A 69 -8.313 -9.775 0.827 1.00 0.00 N ATOM 1010 CA GLU A 69 -9.231 -10.819 0.404 1.00 0.00 C ATOM 1011 C GLU A 69 -10.621 -10.232 0.151 1.00 0.00 C ATOM 1012 O GLU A 69 -11.338 -10.688 -0.739 1.00 0.00 O ATOM 1013 CB GLU A 69 -9.291 -11.947 1.436 1.00 0.00 C ATOM 1014 CG GLU A 69 -7.965 -12.707 1.495 1.00 0.00 C ATOM 1015 CD GLU A 69 -7.827 -13.664 0.309 1.00 0.00 C ATOM 1016 OE1 GLU A 69 -8.838 -14.328 -0.005 1.00 0.00 O ATOM 1017 OE2 GLU A 69 -6.714 -13.708 -0.258 1.00 0.00 O ATOM 0 H GLU A 69 -8.061 -9.803 1.815 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.862 -11.245 -0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.522 -11.534 2.418 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.097 -12.635 1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.136 -11.999 1.494 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.904 -13.268 2.428 1.00 0.00 H new ATOM 1024 N ASP A 70 -10.960 -9.230 0.948 1.00 0.00 N ATOM 1025 CA ASP A 70 -12.251 -8.576 0.821 1.00 0.00 C ATOM 1026 C ASP A 70 -12.045 -7.064 0.722 1.00 0.00 C ATOM 1027 O ASP A 70 -11.093 -6.525 1.285 1.00 0.00 O ATOM 1028 CB ASP A 70 -13.131 -8.854 2.042 1.00 0.00 C ATOM 1029 CG ASP A 70 -13.915 -10.166 1.989 1.00 0.00 C ATOM 1030 OD1 ASP A 70 -13.557 -11.007 1.136 1.00 0.00 O ATOM 1031 OD2 ASP A 70 -14.855 -10.299 2.802 1.00 0.00 O ATOM 0 H ASP A 70 -10.363 -8.855 1.685 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.739 -8.965 -0.073 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.501 -8.861 2.931 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.836 -8.031 2.157 1.00 0.00 H new ATOM 1036 N PRO A 71 -12.975 -6.404 -0.019 1.00 0.00 N ATOM 1037 CA PRO A 71 -12.905 -4.964 -0.200 1.00 0.00 C ATOM 1038 C PRO A 71 -13.343 -4.230 1.069 1.00 0.00 C ATOM 1039 O PRO A 71 -12.686 -3.284 1.501 1.00 0.00 O ATOM 1040 CB PRO A 71 -13.799 -4.673 -1.394 1.00 0.00 C ATOM 1041 CG PRO A 71 -14.698 -5.890 -1.547 1.00 0.00 C ATOM 1042 CD PRO A 71 -14.116 -7.010 -0.701 1.00 0.00 C ATOM 0 HA PRO A 71 -11.890 -4.612 -0.385 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.388 -3.770 -1.230 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.207 -4.509 -2.294 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.713 -5.657 -1.226 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.756 -6.192 -2.593 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -14.848 -7.389 0.012 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -13.806 -7.853 -1.319 1.00 0.00 H new ATOM 1050 N ARG A 72 -14.451 -4.693 1.629 1.00 0.00 N ATOM 1051 CA ARG A 72 -14.985 -4.092 2.839 1.00 0.00 C ATOM 1052 C ARG A 72 -13.854 -3.779 3.820 1.00 0.00 C ATOM 1053 O ARG A 72 -13.810 -2.693 4.397 1.00 0.00 O ATOM 1054 CB ARG A 72 -15.995 -5.021 3.516 1.00 0.00 C ATOM 1055 CG ARG A 72 -17.219 -5.242 2.625 1.00 0.00 C ATOM 1056 CD ARG A 72 -18.416 -5.723 3.448 1.00 0.00 C ATOM 1057 NE ARG A 72 -19.489 -6.203 2.548 1.00 0.00 N ATOM 1058 CZ ARG A 72 -20.731 -6.501 2.952 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -21.065 -6.370 4.243 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -21.640 -6.930 2.065 1.00 0.00 N ATOM 0 H ARG A 72 -14.993 -5.477 1.267 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.491 -3.169 2.555 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.523 -5.979 3.736 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.307 -4.593 4.469 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.474 -4.314 2.114 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.984 -5.976 1.854 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -18.108 -6.524 4.120 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.789 -4.911 4.071 1.00 0.00 H new ATOM 0 HE ARG A 72 -19.269 -6.314 1.558 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -20.374 -6.043 4.918 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -22.011 -6.597 4.551 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -21.386 -7.030 1.082 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -22.586 -7.157 2.373 1.00 0.00 H new ATOM 1074 N ASP A 73 -12.966 -4.749 3.979 1.00 0.00 N ATOM 1075 CA ASP A 73 -11.837 -4.591 4.881 1.00 0.00 C ATOM 1076 C ASP A 73 -10.758 -3.750 4.196 1.00 0.00 C ATOM 1077 O ASP A 73 -10.124 -2.910 4.833 1.00 0.00 O ATOM 1078 CB ASP A 73 -11.224 -5.946 5.240 1.00 0.00 C ATOM 1079 CG ASP A 73 -11.671 -6.522 6.585 1.00 0.00 C ATOM 1080 OD1 ASP A 73 -11.072 -6.115 7.603 1.00 0.00 O ATOM 1081 OD2 ASP A 73 -12.602 -7.356 6.563 1.00 0.00 O ATOM 0 H ASP A 73 -13.005 -5.648 3.498 1.00 0.00 H new ATOM 0 HA ASP A 73 -12.196 -4.107 5.789 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.473 -6.660 4.455 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.139 -5.846 5.247 1.00 0.00 H new ATOM 1086 N ALA A 74 -10.582 -4.005 2.908 1.00 0.00 N ATOM 1087 CA ALA A 74 -9.591 -3.282 2.130 1.00 0.00 C ATOM 1088 C ALA A 74 -9.853 -1.779 2.248 1.00 0.00 C ATOM 1089 O ALA A 74 -8.935 -0.972 2.112 1.00 0.00 O ATOM 1090 CB ALA A 74 -9.625 -3.768 0.680 1.00 0.00 C ATOM 0 H ALA A 74 -11.109 -4.703 2.383 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.589 -3.473 2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.881 -3.225 0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.403 -4.835 0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.615 -3.591 0.260 1.00 0.00 H new ATOM 1096 N GLU A 75 -11.111 -1.448 2.499 1.00 0.00 N ATOM 1097 CA GLU A 75 -11.506 -0.057 2.636 1.00 0.00 C ATOM 1098 C GLU A 75 -11.248 0.430 4.064 1.00 0.00 C ATOM 1099 O GLU A 75 -10.470 1.358 4.276 1.00 0.00 O ATOM 1100 CB GLU A 75 -12.973 0.138 2.247 1.00 0.00 C ATOM 1101 CG GLU A 75 -13.245 -0.407 0.844 1.00 0.00 C ATOM 1102 CD GLU A 75 -14.173 0.526 0.063 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -13.636 1.464 -0.565 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -15.397 0.281 0.113 1.00 0.00 O ATOM 0 H GLU A 75 -11.870 -2.120 2.611 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.901 0.541 1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -13.615 -0.368 2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.225 1.198 2.285 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.304 -0.523 0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -13.695 -1.397 0.916 1.00 0.00 H new ATOM 1111 N ASP A 76 -11.917 -0.219 5.006 1.00 0.00 N ATOM 1112 CA ASP A 76 -11.770 0.136 6.407 1.00 0.00 C ATOM 1113 C ASP A 76 -10.292 0.391 6.712 1.00 0.00 C ATOM 1114 O ASP A 76 -9.964 1.171 7.605 1.00 0.00 O ATOM 1115 CB ASP A 76 -12.251 -0.997 7.316 1.00 0.00 C ATOM 1116 CG ASP A 76 -13.713 -0.896 7.756 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -14.543 -0.545 6.890 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -13.967 -1.172 8.948 1.00 0.00 O ATOM 0 H ASP A 76 -12.562 -0.988 4.826 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.369 1.027 6.593 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -12.108 -1.945 6.797 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.621 -1.022 8.205 1.00 0.00 H new ATOM 1123 N ALA A 77 -9.440 -0.282 5.952 1.00 0.00 N ATOM 1124 CA ALA A 77 -8.005 -0.138 6.130 1.00 0.00 C ATOM 1125 C ALA A 77 -7.537 1.149 5.448 1.00 0.00 C ATOM 1126 O ALA A 77 -7.157 2.108 6.118 1.00 0.00 O ATOM 1127 CB ALA A 77 -7.296 -1.378 5.583 1.00 0.00 C ATOM 0 H ALA A 77 -9.716 -0.928 5.212 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.756 -0.060 7.188 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.220 -1.270 5.716 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.642 -2.261 6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.521 -1.487 4.522 1.00 0.00 H new ATOM 1133 N VAL A 78 -7.581 1.129 4.124 1.00 0.00 N ATOM 1134 CA VAL A 78 -7.167 2.282 3.343 1.00 0.00 C ATOM 1135 C VAL A 78 -7.692 3.557 4.007 1.00 0.00 C ATOM 1136 O VAL A 78 -7.040 4.599 3.960 1.00 0.00 O ATOM 1137 CB VAL A 78 -7.632 2.128 1.894 1.00 0.00 C ATOM 1138 CG1 VAL A 78 -9.030 2.720 1.700 1.00 0.00 C ATOM 1139 CG2 VAL A 78 -6.630 2.761 0.926 1.00 0.00 C ATOM 0 H VAL A 78 -7.897 0.332 3.572 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.080 2.353 3.315 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.686 1.062 1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.336 2.597 0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.737 2.204 2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.014 3.781 1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.985 2.637 -0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.529 3.823 1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.661 2.274 1.035 1.00 0.00 H new ATOM 1149 N TYR A 79 -8.865 3.432 4.610 1.00 0.00 N ATOM 1150 CA TYR A 79 -9.485 4.561 5.283 1.00 0.00 C ATOM 1151 C TYR A 79 -8.725 4.923 6.560 1.00 0.00 C ATOM 1152 O TYR A 79 -8.285 6.060 6.724 1.00 0.00 O ATOM 1153 CB TYR A 79 -10.898 4.106 5.655 1.00 0.00 C ATOM 1154 CG TYR A 79 -11.965 4.487 4.628 1.00 0.00 C ATOM 1155 CD1 TYR A 79 -11.672 4.445 3.280 1.00 0.00 C ATOM 1156 CD2 TYR A 79 -13.222 4.872 5.049 1.00 0.00 C ATOM 1157 CE1 TYR A 79 -12.677 4.804 2.313 1.00 0.00 C ATOM 1158 CE2 TYR A 79 -14.227 5.231 4.082 1.00 0.00 C ATOM 1159 CZ TYR A 79 -13.904 5.179 2.761 1.00 0.00 C ATOM 1160 OH TYR A 79 -14.854 5.518 1.848 1.00 0.00 O ATOM 0 H TYR A 79 -9.403 2.566 4.647 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.485 5.440 4.638 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.899 3.023 5.780 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.166 4.538 6.619 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.689 4.143 2.950 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -13.452 4.904 6.104 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.460 4.776 1.255 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -15.214 5.534 4.398 1.00 0.00 H new ATOM 0 HH TYR A 79 -15.681 5.763 2.312 1.00 0.00 H new ATOM 1170 N GLY A 80 -8.595 3.935 7.433 1.00 0.00 N ATOM 1171 CA GLY A 80 -7.896 4.135 8.691 1.00 0.00 C ATOM 1172 C GLY A 80 -6.407 4.397 8.455 1.00 0.00 C ATOM 1173 O GLY A 80 -5.904 5.474 8.773 1.00 0.00 O ATOM 0 H GLY A 80 -8.962 2.994 7.294 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.337 4.976 9.226 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.019 3.255 9.323 1.00 0.00 H new ATOM 1177 N ARG A 81 -5.743 3.394 7.900 1.00 0.00 N ATOM 1178 CA ARG A 81 -4.322 3.502 7.618 1.00 0.00 C ATOM 1179 C ARG A 81 -3.986 4.908 7.116 1.00 0.00 C ATOM 1180 O ARG A 81 -3.057 5.543 7.613 1.00 0.00 O ATOM 1181 CB ARG A 81 -3.888 2.477 6.568 1.00 0.00 C ATOM 1182 CG ARG A 81 -4.097 1.049 7.078 1.00 0.00 C ATOM 1183 CD ARG A 81 -3.093 0.708 8.180 1.00 0.00 C ATOM 1184 NE ARG A 81 -1.827 0.228 7.580 1.00 0.00 N ATOM 1185 CZ ARG A 81 -0.798 1.024 7.261 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -0.878 2.344 7.482 1.00 0.00 N ATOM 1187 NH2 ARG A 81 0.311 0.502 6.721 1.00 0.00 N ATOM 0 H ARG A 81 -6.163 2.502 7.638 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.785 3.305 8.546 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.458 2.627 5.651 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.838 2.628 6.319 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.112 0.940 7.460 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.990 0.345 6.253 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.903 1.587 8.795 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.507 -0.057 8.837 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.733 -0.771 7.398 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.722 2.742 7.893 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.094 2.950 7.239 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.372 -0.502 6.552 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.094 1.109 6.478 1.00 0.00 H new ATOM 1201 N ASP A 82 -4.760 5.353 6.137 1.00 0.00 N ATOM 1202 CA ASP A 82 -4.556 6.672 5.563 1.00 0.00 C ATOM 1203 C ASP A 82 -4.393 7.695 6.689 1.00 0.00 C ATOM 1204 O ASP A 82 -5.379 8.173 7.246 1.00 0.00 O ATOM 1205 CB ASP A 82 -5.756 7.094 4.713 1.00 0.00 C ATOM 1206 CG ASP A 82 -5.926 8.604 4.537 1.00 0.00 C ATOM 1207 OD1 ASP A 82 -4.936 9.241 4.115 1.00 0.00 O ATOM 1208 OD2 ASP A 82 -7.041 9.088 4.829 1.00 0.00 O ATOM 0 H ASP A 82 -5.529 4.824 5.727 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.665 6.632 4.936 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.663 6.637 3.728 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.662 6.692 5.166 1.00 0.00 H new ATOM 1213 N GLY A 83 -3.139 7.999 6.991 1.00 0.00 N ATOM 1214 CA GLY A 83 -2.834 8.956 8.041 1.00 0.00 C ATOM 1215 C GLY A 83 -2.227 8.258 9.260 1.00 0.00 C ATOM 1216 O GLY A 83 -2.499 8.639 10.397 1.00 0.00 O ATOM 0 H GLY A 83 -2.323 7.600 6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.139 9.706 7.664 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.743 9.482 8.334 1.00 0.00 H new ATOM 1220 N TYR A 84 -1.417 7.247 8.981 1.00 0.00 N ATOM 1221 CA TYR A 84 -0.771 6.492 10.040 1.00 0.00 C ATOM 1222 C TYR A 84 0.686 6.927 10.214 1.00 0.00 C ATOM 1223 O TYR A 84 1.290 7.467 9.288 1.00 0.00 O ATOM 1224 CB TYR A 84 -0.803 5.028 9.595 1.00 0.00 C ATOM 1225 CG TYR A 84 -0.165 4.060 10.594 1.00 0.00 C ATOM 1226 CD1 TYR A 84 -0.465 4.158 11.937 1.00 0.00 C ATOM 1227 CD2 TYR A 84 0.709 3.089 10.151 1.00 0.00 C ATOM 1228 CE1 TYR A 84 0.135 3.246 12.877 1.00 0.00 C ATOM 1229 CE2 TYR A 84 1.309 2.177 11.090 1.00 0.00 C ATOM 1230 CZ TYR A 84 0.993 2.301 12.407 1.00 0.00 C ATOM 1231 OH TYR A 84 1.559 1.440 13.295 1.00 0.00 O ATOM 0 H TYR A 84 -1.194 6.934 8.036 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.281 6.652 10.990 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.839 4.732 9.429 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.288 4.938 8.638 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.149 4.918 12.284 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.943 3.013 9.099 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.091 3.311 13.931 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.994 1.412 10.756 1.00 0.00 H new ATOM 0 HH TYR A 84 2.149 0.819 12.818 1.00 0.00 H new ATOM 1241 N ASP A 85 1.207 6.677 11.406 1.00 0.00 N ATOM 1242 CA ASP A 85 2.581 7.037 11.713 1.00 0.00 C ATOM 1243 C ASP A 85 3.333 5.795 12.195 1.00 0.00 C ATOM 1244 O ASP A 85 3.078 5.297 13.290 1.00 0.00 O ATOM 1245 CB ASP A 85 2.640 8.087 12.823 1.00 0.00 C ATOM 1246 CG ASP A 85 4.025 8.689 13.071 1.00 0.00 C ATOM 1247 OD1 ASP A 85 4.988 8.160 12.476 1.00 0.00 O ATOM 1248 OD2 ASP A 85 4.089 9.664 13.851 1.00 0.00 O ATOM 0 H ASP A 85 0.702 6.229 12.171 1.00 0.00 H new ATOM 0 HA ASP A 85 3.034 7.443 10.809 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.949 8.893 12.577 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.286 7.635 13.749 1.00 0.00 H new ATOM 1253 N TYR A 86 4.245 5.331 11.354 1.00 0.00 N ATOM 1254 CA TYR A 86 5.036 4.157 11.681 1.00 0.00 C ATOM 1255 C TYR A 86 6.527 4.497 11.731 1.00 0.00 C ATOM 1256 O TYR A 86 7.045 5.170 10.841 1.00 0.00 O ATOM 1257 CB TYR A 86 4.792 3.156 10.550 1.00 0.00 C ATOM 1258 CG TYR A 86 5.544 1.834 10.716 1.00 0.00 C ATOM 1259 CD1 TYR A 86 5.013 0.832 11.503 1.00 0.00 C ATOM 1260 CD2 TYR A 86 6.754 1.643 10.080 1.00 0.00 C ATOM 1261 CE1 TYR A 86 5.720 -0.412 11.660 1.00 0.00 C ATOM 1262 CE2 TYR A 86 7.461 0.398 10.236 1.00 0.00 C ATOM 1263 CZ TYR A 86 6.910 -0.568 11.019 1.00 0.00 C ATOM 1264 OH TYR A 86 7.578 -1.743 11.167 1.00 0.00 O ATOM 0 H TYR A 86 4.454 5.747 10.446 1.00 0.00 H new ATOM 0 HA TYR A 86 4.753 3.763 12.657 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.724 2.949 10.486 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.085 3.613 9.605 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.067 0.981 12.001 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.171 2.427 9.465 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.315 -1.204 12.273 1.00 0.00 H new ATOM 0 HE2 TYR A 86 8.408 0.235 9.742 1.00 0.00 H new ATOM 0 HH TYR A 86 8.411 -1.713 10.652 1.00 0.00 H new ATOM 1274 N ASP A 87 7.176 4.017 12.783 1.00 0.00 N ATOM 1275 CA ASP A 87 8.597 4.262 12.961 1.00 0.00 C ATOM 1276 C ASP A 87 8.841 5.769 13.063 1.00 0.00 C ATOM 1277 O ASP A 87 9.969 6.231 12.895 1.00 0.00 O ATOM 1278 CB ASP A 87 9.401 3.732 11.772 1.00 0.00 C ATOM 1279 CG ASP A 87 10.670 2.961 12.142 1.00 0.00 C ATOM 1280 OD1 ASP A 87 11.235 3.278 13.211 1.00 0.00 O ATOM 1281 OD2 ASP A 87 11.046 2.073 11.347 1.00 0.00 O ATOM 0 H ASP A 87 6.744 3.460 13.520 1.00 0.00 H new ATOM 0 HA ASP A 87 8.916 3.750 13.869 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.758 3.081 11.179 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.677 4.573 11.136 1.00 0.00 H new ATOM 1286 N GLY A 88 7.767 6.493 13.339 1.00 0.00 N ATOM 1287 CA GLY A 88 7.851 7.938 13.465 1.00 0.00 C ATOM 1288 C GLY A 88 7.622 8.621 12.115 1.00 0.00 C ATOM 1289 O GLY A 88 7.431 9.835 12.054 1.00 0.00 O ATOM 0 H GLY A 88 6.834 6.106 13.479 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.110 8.288 14.184 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.830 8.216 13.856 1.00 0.00 H new ATOM 1293 N TYR A 89 7.650 7.812 11.067 1.00 0.00 N ATOM 1294 CA TYR A 89 7.448 8.322 9.722 1.00 0.00 C ATOM 1295 C TYR A 89 5.971 8.260 9.327 1.00 0.00 C ATOM 1296 O TYR A 89 5.258 7.338 9.719 1.00 0.00 O ATOM 1297 CB TYR A 89 8.249 7.404 8.797 1.00 0.00 C ATOM 1298 CG TYR A 89 9.565 8.011 8.305 1.00 0.00 C ATOM 1299 CD1 TYR A 89 9.582 9.287 7.780 1.00 0.00 C ATOM 1300 CD2 TYR A 89 10.734 7.281 8.385 1.00 0.00 C ATOM 1301 CE1 TYR A 89 10.820 9.858 7.316 1.00 0.00 C ATOM 1302 CE2 TYR A 89 11.972 7.852 7.921 1.00 0.00 C ATOM 1303 CZ TYR A 89 11.954 9.112 7.410 1.00 0.00 C ATOM 1304 OH TYR A 89 13.123 9.652 6.972 1.00 0.00 O ATOM 0 H TYR A 89 7.810 6.806 11.122 1.00 0.00 H new ATOM 0 HA TYR A 89 7.765 9.363 9.656 1.00 0.00 H new ATOM 0 HB2 TYR A 89 8.464 6.474 9.323 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.634 7.148 7.934 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.667 9.857 7.717 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.720 6.282 8.795 1.00 0.00 H new ATOM 0 HE1 TYR A 89 10.848 10.855 6.903 1.00 0.00 H new ATOM 0 HE2 TYR A 89 12.894 7.292 7.978 1.00 0.00 H new ATOM 0 HH TYR A 89 13.850 9.008 7.101 1.00 0.00 H new ATOM 1314 N ARG A 90 5.555 9.255 8.557 1.00 0.00 N ATOM 1315 CA ARG A 90 4.176 9.325 8.105 1.00 0.00 C ATOM 1316 C ARG A 90 3.994 8.506 6.825 1.00 0.00 C ATOM 1317 O ARG A 90 4.881 8.474 5.973 1.00 0.00 O ATOM 1318 CB ARG A 90 3.756 10.772 7.840 1.00 0.00 C ATOM 1319 CG ARG A 90 4.690 11.437 6.827 1.00 0.00 C ATOM 1320 CD ARG A 90 5.303 12.715 7.403 1.00 0.00 C ATOM 1321 NE ARG A 90 6.749 12.517 7.648 1.00 0.00 N ATOM 1322 CZ ARG A 90 7.256 12.000 8.775 1.00 0.00 C ATOM 1323 NH1 ARG A 90 6.437 11.626 9.768 1.00 0.00 N ATOM 1324 NH2 ARG A 90 8.581 11.857 8.910 1.00 0.00 N ATOM 0 H ARG A 90 6.149 10.019 8.235 1.00 0.00 H new ATOM 0 HA ARG A 90 3.547 8.915 8.895 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.732 10.795 7.466 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.767 11.334 8.774 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.483 10.743 6.548 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.137 11.672 5.917 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.153 13.544 6.711 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.801 12.982 8.333 1.00 0.00 H new ATOM 0 HE ARG A 90 7.400 12.791 6.913 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.428 11.735 9.665 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.823 11.232 10.626 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.204 12.142 8.155 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.967 11.463 9.768 1.00 0.00 H new ATOM 1338 N LEU A 91 2.839 7.864 6.730 1.00 0.00 N ATOM 1339 CA LEU A 91 2.529 7.047 5.569 1.00 0.00 C ATOM 1340 C LEU A 91 1.270 7.590 4.890 1.00 0.00 C ATOM 1341 O LEU A 91 0.526 8.368 5.485 1.00 0.00 O ATOM 1342 CB LEU A 91 2.428 5.573 5.963 1.00 0.00 C ATOM 1343 CG LEU A 91 3.525 5.050 6.894 1.00 0.00 C ATOM 1344 CD1 LEU A 91 3.076 3.772 7.605 1.00 0.00 C ATOM 1345 CD2 LEU A 91 4.839 4.854 6.136 1.00 0.00 C ATOM 0 H LEU A 91 2.106 7.893 7.439 1.00 0.00 H new ATOM 0 HA LEU A 91 3.335 7.103 4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.463 5.411 6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.435 4.973 5.053 1.00 0.00 H new ATOM 0 HG LEU A 91 3.707 5.800 7.664 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.873 3.421 8.260 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.184 3.979 8.197 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.850 3.004 6.865 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.602 4.482 6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.691 4.134 5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.162 5.806 5.716 1.00 0.00 H new ATOM 1357 N ARG A 92 1.071 7.159 3.653 1.00 0.00 N ATOM 1358 CA ARG A 92 -0.085 7.592 2.887 1.00 0.00 C ATOM 1359 C ARG A 92 -0.750 6.394 2.207 1.00 0.00 C ATOM 1360 O ARG A 92 -0.226 5.860 1.230 1.00 0.00 O ATOM 1361 CB ARG A 92 0.312 8.618 1.823 1.00 0.00 C ATOM 1362 CG ARG A 92 0.119 10.045 2.338 1.00 0.00 C ATOM 1363 CD ARG A 92 0.088 11.046 1.182 1.00 0.00 C ATOM 1364 NE ARG A 92 0.038 12.428 1.710 1.00 0.00 N ATOM 1365 CZ ARG A 92 0.192 13.526 0.957 1.00 0.00 C ATOM 1366 NH1 ARG A 92 0.406 13.410 -0.361 1.00 0.00 N ATOM 1367 NH2 ARG A 92 0.132 14.739 1.521 1.00 0.00 N ATOM 0 H ARG A 92 1.691 6.514 3.162 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.787 8.057 3.580 1.00 0.00 H new ATOM 0 HB2 ARG A 92 1.354 8.468 1.539 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -0.288 8.467 0.926 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -0.811 10.109 2.904 1.00 0.00 H new ATOM 0 HG3 ARG A 92 0.927 10.300 3.023 1.00 0.00 H new ATOM 0 HD2 ARG A 92 0.971 10.919 0.556 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -0.780 10.858 0.550 1.00 0.00 H new ATOM 0 HE ARG A 92 -0.124 12.552 2.709 1.00 0.00 H new ATOM 0 HH11 ARG A 92 0.452 12.486 -0.791 1.00 0.00 H new ATOM 0 HH12 ARG A 92 0.523 14.246 -0.934 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.031 14.828 2.524 1.00 0.00 H new ATOM 0 HH22 ARG A 92 0.249 15.574 0.948 1.00 0.00 H new ATOM 1381 N VAL A 93 -1.894 6.006 2.750 1.00 0.00 N ATOM 1382 CA VAL A 93 -2.637 4.881 2.208 1.00 0.00 C ATOM 1383 C VAL A 93 -3.798 5.402 1.359 1.00 0.00 C ATOM 1384 O VAL A 93 -4.617 6.187 1.836 1.00 0.00 O ATOM 1385 CB VAL A 93 -3.092 3.959 3.342 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -3.732 2.684 2.788 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -1.929 3.627 4.278 1.00 0.00 C ATOM 0 H VAL A 93 -2.325 6.451 3.560 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.001 4.283 1.556 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.848 4.488 3.922 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.047 2.046 3.614 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.599 2.946 2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.007 2.150 2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.279 2.971 5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.141 3.126 3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.537 4.547 4.712 1.00 0.00 H new ATOM 1397 N GLU A 94 -3.832 4.946 0.116 1.00 0.00 N ATOM 1398 CA GLU A 94 -4.879 5.357 -0.804 1.00 0.00 C ATOM 1399 C GLU A 94 -4.997 4.355 -1.955 1.00 0.00 C ATOM 1400 O GLU A 94 -4.050 3.628 -2.249 1.00 0.00 O ATOM 1401 CB GLU A 94 -4.622 6.770 -1.331 1.00 0.00 C ATOM 1402 CG GLU A 94 -3.465 6.780 -2.332 1.00 0.00 C ATOM 1403 CD GLU A 94 -3.400 8.113 -3.080 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -3.664 9.145 -2.427 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -3.086 8.070 -4.290 1.00 0.00 O ATOM 0 H GLU A 94 -3.151 4.296 -0.276 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.825 5.373 -0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.524 7.154 -1.808 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.394 7.436 -0.499 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.525 6.606 -1.809 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.589 5.964 -3.045 1.00 0.00 H new ATOM 1412 N PHE A 95 -6.168 4.351 -2.574 1.00 0.00 N ATOM 1413 CA PHE A 95 -6.423 3.451 -3.687 1.00 0.00 C ATOM 1414 C PHE A 95 -5.693 3.917 -4.948 1.00 0.00 C ATOM 1415 O PHE A 95 -5.472 5.113 -5.135 1.00 0.00 O ATOM 1416 CB PHE A 95 -7.931 3.476 -3.946 1.00 0.00 C ATOM 1417 CG PHE A 95 -8.748 2.660 -2.942 1.00 0.00 C ATOM 1418 CD1 PHE A 95 -8.472 1.343 -2.750 1.00 0.00 C ATOM 1419 CD2 PHE A 95 -9.751 3.254 -2.240 1.00 0.00 C ATOM 1420 CE1 PHE A 95 -9.231 0.586 -1.818 1.00 0.00 C ATOM 1421 CE2 PHE A 95 -10.510 2.497 -1.308 1.00 0.00 C ATOM 1422 CZ PHE A 95 -10.233 1.179 -1.117 1.00 0.00 C ATOM 0 H PHE A 95 -6.951 4.956 -2.327 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.068 2.449 -3.444 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.276 4.510 -3.925 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.123 3.096 -4.949 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.675 0.872 -3.306 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.970 4.301 -2.391 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.012 -0.461 -1.666 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.307 2.968 -0.751 1.00 0.00 H new ATOM 0 HZ PHE A 95 -10.810 0.604 -0.408 1.00 0.00 H new ATOM 1432 N PRO A 96 -5.330 2.924 -5.802 1.00 0.00 N ATOM 1433 CA PRO A 96 -4.630 3.221 -7.040 1.00 0.00 C ATOM 1434 C PRO A 96 -5.582 3.814 -8.080 1.00 0.00 C ATOM 1435 O PRO A 96 -6.370 3.093 -8.689 1.00 0.00 O ATOM 1436 CB PRO A 96 -4.025 1.896 -7.477 1.00 0.00 C ATOM 1437 CG PRO A 96 -4.790 0.820 -6.724 1.00 0.00 C ATOM 1438 CD PRO A 96 -5.576 1.497 -5.614 1.00 0.00 C ATOM 0 HA PRO A 96 -3.854 3.976 -6.914 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.119 1.760 -8.554 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -2.961 1.856 -7.242 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.462 0.287 -7.397 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.103 0.082 -6.310 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.639 1.266 -5.684 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.241 1.164 -4.632 1.00 0.00 H new