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 180:sc= -0.0108 USER MOD Single : A 29 ASN : amide:sc= -0.352 K(o=-0.35,f=-2.9!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 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= -0.18 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 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 263 N ARG A 24 -6.899 -4.189 -3.649 1.00 0.00 N ATOM 264 CA ARG A 24 -5.545 -3.698 -3.842 1.00 0.00 C ATOM 265 C ARG A 24 -5.454 -2.222 -3.447 1.00 0.00 C ATOM 266 O ARG A 24 -6.070 -1.367 -4.082 1.00 0.00 O ATOM 267 CB ARG A 24 -5.104 -3.857 -5.298 1.00 0.00 C ATOM 268 CG ARG A 24 -5.970 -3.008 -6.230 1.00 0.00 C ATOM 269 CD ARG A 24 -6.326 -3.779 -7.503 1.00 0.00 C ATOM 270 NE ARG A 24 -5.821 -3.055 -8.691 1.00 0.00 N ATOM 271 CZ ARG A 24 -6.391 -1.953 -9.197 1.00 0.00 C ATOM 272 NH1 ARG A 24 -7.488 -1.442 -8.623 1.00 0.00 N ATOM 273 NH2 ARG A 24 -5.863 -1.363 -10.278 1.00 0.00 N ATOM 0 HA ARG A 24 -4.884 -4.289 -3.207 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.059 -3.563 -5.399 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.170 -4.905 -5.589 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.883 -2.711 -5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.439 -2.093 -6.492 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.894 -4.779 -7.465 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.407 -3.901 -7.574 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.987 -3.417 -9.153 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.890 -1.892 -7.800 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.922 -0.603 -9.008 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.028 -1.753 -10.715 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.296 -0.524 -10.664 1.00 0.00 H new ATOM 287 N ILE A 25 -4.681 -1.969 -2.401 1.00 0.00 N ATOM 288 CA ILE A 25 -4.502 -0.612 -1.915 1.00 0.00 C ATOM 289 C ILE A 25 -3.023 -0.231 -2.013 1.00 0.00 C ATOM 290 O ILE A 25 -2.148 -1.056 -1.757 1.00 0.00 O ATOM 291 CB ILE A 25 -5.082 -0.466 -0.506 1.00 0.00 C ATOM 292 CG1 ILE A 25 -4.449 -1.475 0.454 1.00 0.00 C ATOM 293 CG2 ILE A 25 -6.608 -0.576 -0.528 1.00 0.00 C ATOM 294 CD1 ILE A 25 -4.481 -0.956 1.893 1.00 0.00 C ATOM 0 H ILE A 25 -4.172 -2.681 -1.877 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.055 0.091 -2.537 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.836 0.529 -0.136 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.982 -2.424 0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.419 -1.669 0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.995 -0.469 0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.020 0.211 -1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.897 -1.549 -0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.025 -1.692 2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.926 -0.020 1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.514 -0.786 2.196 1.00 0.00 H new ATOM 306 N TYR A 26 -2.791 1.020 -2.384 1.00 0.00 N ATOM 307 CA TYR A 26 -1.433 1.520 -2.519 1.00 0.00 C ATOM 308 C TYR A 26 -0.999 2.274 -1.260 1.00 0.00 C ATOM 309 O TYR A 26 -1.683 3.195 -0.816 1.00 0.00 O ATOM 310 CB TYR A 26 -1.458 2.494 -3.698 1.00 0.00 C ATOM 311 CG TYR A 26 -0.147 3.255 -3.905 1.00 0.00 C ATOM 312 CD1 TYR A 26 0.890 2.666 -4.600 1.00 0.00 C ATOM 313 CD2 TYR A 26 -0.001 4.530 -3.397 1.00 0.00 C ATOM 314 CE1 TYR A 26 2.124 3.381 -4.795 1.00 0.00 C ATOM 315 CE2 TYR A 26 1.233 5.245 -3.592 1.00 0.00 C ATOM 316 CZ TYR A 26 2.235 4.636 -4.282 1.00 0.00 C ATOM 317 OH TYR A 26 3.401 5.312 -4.466 1.00 0.00 O ATOM 0 H TYR A 26 -3.520 1.702 -2.595 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.734 0.697 -2.671 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.693 1.941 -4.608 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.263 3.213 -3.545 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.775 1.668 -4.998 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.812 4.991 -2.853 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.943 2.931 -5.336 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.361 6.243 -3.199 1.00 0.00 H new ATOM 0 HH TYR A 26 3.337 6.195 -4.047 1.00 0.00 H new ATOM 327 N VAL A 27 0.136 1.854 -0.720 1.00 0.00 N ATOM 328 CA VAL A 27 0.669 2.478 0.479 1.00 0.00 C ATOM 329 C VAL A 27 1.900 3.310 0.112 1.00 0.00 C ATOM 330 O VAL A 27 2.955 2.760 -0.198 1.00 0.00 O ATOM 331 CB VAL A 27 0.963 1.412 1.537 1.00 0.00 C ATOM 332 CG1 VAL A 27 1.586 2.037 2.787 1.00 0.00 C ATOM 333 CG2 VAL A 27 -0.302 0.626 1.889 1.00 0.00 C ATOM 0 H VAL A 27 0.701 1.090 -1.091 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.065 3.157 0.914 1.00 0.00 H new ATOM 0 HB VAL A 27 1.686 0.713 1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.785 1.258 3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.520 2.531 2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.897 2.768 3.210 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.066 -0.125 2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.057 1.308 2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.686 0.135 0.995 1.00 0.00 H new ATOM 343 N GLY A 28 1.722 4.622 0.159 1.00 0.00 N ATOM 344 CA GLY A 28 2.805 5.535 -0.166 1.00 0.00 C ATOM 345 C GLY A 28 3.361 6.196 1.097 1.00 0.00 C ATOM 346 O GLY A 28 2.777 6.077 2.173 1.00 0.00 O ATOM 0 H GLY A 28 0.845 5.074 0.417 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.601 4.994 -0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.446 6.301 -0.854 1.00 0.00 H new ATOM 350 N ASN A 29 4.483 6.879 0.924 1.00 0.00 N ATOM 351 CA ASN A 29 5.125 7.559 2.036 1.00 0.00 C ATOM 352 C ASN A 29 5.488 6.535 3.113 1.00 0.00 C ATOM 353 O ASN A 29 4.834 6.465 4.153 1.00 0.00 O ATOM 354 CB ASN A 29 4.188 8.594 2.663 1.00 0.00 C ATOM 355 CG ASN A 29 4.522 10.004 2.173 1.00 0.00 C ATOM 356 OD1 ASN A 29 5.488 10.230 1.463 1.00 0.00 O ATOM 357 ND2 ASN A 29 3.671 10.937 2.589 1.00 0.00 N ATOM 0 H ASN A 29 4.964 6.976 0.030 1.00 0.00 H new ATOM 0 HA ASN A 29 6.015 8.061 1.657 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.155 8.353 2.413 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.270 8.554 3.749 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.807 11.910 2.315 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.882 10.680 3.182 1.00 0.00 H new ATOM 364 N LEU A 30 6.529 5.768 2.828 1.00 0.00 N ATOM 365 CA LEU A 30 6.987 4.751 3.760 1.00 0.00 C ATOM 366 C LEU A 30 8.473 4.967 4.054 1.00 0.00 C ATOM 367 O LEU A 30 9.165 5.652 3.303 1.00 0.00 O ATOM 368 CB LEU A 30 6.662 3.353 3.229 1.00 0.00 C ATOM 369 CG LEU A 30 5.232 2.862 3.464 1.00 0.00 C ATOM 370 CD1 LEU A 30 4.892 1.699 2.531 1.00 0.00 C ATOM 371 CD2 LEU A 30 5.011 2.501 4.935 1.00 0.00 C ATOM 0 H LEU A 30 7.069 5.830 1.965 1.00 0.00 H new ATOM 0 HA LEU A 30 6.458 4.838 4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.858 3.338 2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.349 2.643 3.689 1.00 0.00 H new ATOM 0 HG LEU A 30 4.547 3.676 3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.870 1.369 2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.984 2.025 1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.579 0.873 2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.987 2.155 5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.704 1.710 5.224 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.185 3.380 5.555 1.00 0.00 H new ATOM 383 N PRO A 31 8.931 4.354 5.178 1.00 0.00 N ATOM 384 CA PRO A 31 10.322 4.472 5.582 1.00 0.00 C ATOM 385 C PRO A 31 11.224 3.606 4.700 1.00 0.00 C ATOM 386 O PRO A 31 10.752 2.677 4.046 1.00 0.00 O ATOM 387 CB PRO A 31 10.344 4.056 7.043 1.00 0.00 C ATOM 388 CG PRO A 31 9.058 3.280 7.276 1.00 0.00 C ATOM 389 CD PRO A 31 8.140 3.534 6.092 1.00 0.00 C ATOM 0 HA PRO A 31 10.710 5.484 5.464 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.217 3.440 7.260 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.398 4.927 7.696 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.267 2.215 7.375 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.582 3.599 8.203 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.833 2.600 5.621 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.230 4.049 6.400 1.00 0.00 H new ATOM 397 N PRO A 32 12.539 3.951 4.709 1.00 0.00 N ATOM 398 CA PRO A 32 13.512 3.216 3.919 1.00 0.00 C ATOM 399 C PRO A 32 13.826 1.862 4.557 1.00 0.00 C ATOM 400 O PRO A 32 14.234 0.927 3.869 1.00 0.00 O ATOM 401 CB PRO A 32 14.724 4.130 3.836 1.00 0.00 C ATOM 402 CG PRO A 32 14.564 5.136 4.965 1.00 0.00 C ATOM 403 CD PRO A 32 13.134 5.046 5.471 1.00 0.00 C ATOM 0 HA PRO A 32 13.146 2.972 2.922 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.649 3.564 3.945 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.770 4.631 2.869 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.268 4.922 5.769 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.781 6.144 4.612 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.105 4.845 6.542 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.597 5.980 5.307 1.00 0.00 H new ATOM 411 N ASP A 33 13.626 1.799 5.865 1.00 0.00 N ATOM 412 CA ASP A 33 13.883 0.575 6.604 1.00 0.00 C ATOM 413 C ASP A 33 12.575 -0.203 6.765 1.00 0.00 C ATOM 414 O ASP A 33 12.426 -0.986 7.702 1.00 0.00 O ATOM 415 CB ASP A 33 14.427 0.879 8.001 1.00 0.00 C ATOM 416 CG ASP A 33 15.939 0.704 8.158 1.00 0.00 C ATOM 417 OD1 ASP A 33 16.504 -0.087 7.372 1.00 0.00 O ATOM 418 OD2 ASP A 33 16.496 1.366 9.061 1.00 0.00 O ATOM 0 H ASP A 33 13.289 2.577 6.432 1.00 0.00 H new ATOM 0 HA ASP A 33 14.620 -0.006 6.049 1.00 0.00 H new ATOM 0 HB2 ASP A 33 14.166 1.905 8.261 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.925 0.231 8.719 1.00 0.00 H new ATOM 423 N ILE A 34 11.661 0.041 5.838 1.00 0.00 N ATOM 424 CA ILE A 34 10.371 -0.627 5.865 1.00 0.00 C ATOM 425 C ILE A 34 10.495 -1.996 5.194 1.00 0.00 C ATOM 426 O ILE A 34 11.384 -2.209 4.370 1.00 0.00 O ATOM 427 CB ILE A 34 9.292 0.265 5.246 1.00 0.00 C ATOM 428 CG1 ILE A 34 7.895 -0.181 5.683 1.00 0.00 C ATOM 429 CG2 ILE A 34 9.429 0.314 3.723 1.00 0.00 C ATOM 430 CD1 ILE A 34 7.627 0.204 7.139 1.00 0.00 C ATOM 0 H ILE A 34 11.788 0.692 5.063 1.00 0.00 H new ATOM 0 HA ILE A 34 10.056 -0.803 6.893 1.00 0.00 H new ATOM 0 HB ILE A 34 9.435 1.281 5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.145 0.277 5.038 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.801 -1.261 5.565 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.651 0.954 3.308 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.408 0.715 3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.327 -0.692 3.316 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.628 -0.124 7.424 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.364 -0.275 7.784 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.698 1.286 7.248 1.00 0.00 H new ATOM 442 N ARG A 35 9.593 -2.890 5.572 1.00 0.00 N ATOM 443 CA ARG A 35 9.591 -4.232 5.017 1.00 0.00 C ATOM 444 C ARG A 35 8.182 -4.615 4.558 1.00 0.00 C ATOM 445 O ARG A 35 7.244 -3.834 4.706 1.00 0.00 O ATOM 446 CB ARG A 35 10.080 -5.254 6.045 1.00 0.00 C ATOM 447 CG ARG A 35 11.542 -5.001 6.417 1.00 0.00 C ATOM 448 CD ARG A 35 11.809 -5.373 7.877 1.00 0.00 C ATOM 449 NE ARG A 35 12.998 -6.249 7.967 1.00 0.00 N ATOM 450 CZ ARG A 35 12.965 -7.579 7.806 1.00 0.00 C ATOM 451 NH1 ARG A 35 11.803 -8.194 7.546 1.00 0.00 N ATOM 452 NH2 ARG A 35 14.094 -8.294 7.906 1.00 0.00 N ATOM 0 H ARG A 35 8.858 -2.711 6.256 1.00 0.00 H new ATOM 0 HA ARG A 35 10.269 -4.239 4.164 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.459 -5.201 6.939 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.973 -6.261 5.642 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.193 -5.583 5.765 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.786 -3.951 6.255 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.966 -4.471 8.468 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.940 -5.881 8.296 1.00 0.00 H new ATOM 0 HE ARG A 35 13.899 -5.813 8.164 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.944 -7.650 7.471 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.778 -9.206 7.423 1.00 0.00 H new ATOM 0 HH21 ARG A 35 14.978 -7.826 8.105 1.00 0.00 H new ATOM 0 HH22 ARG A 35 14.069 -9.306 7.784 1.00 0.00 H new ATOM 466 N THR A 36 8.079 -5.817 4.010 1.00 0.00 N ATOM 467 CA THR A 36 6.801 -6.312 3.529 1.00 0.00 C ATOM 468 C THR A 36 6.027 -6.985 4.665 1.00 0.00 C ATOM 469 O THR A 36 4.798 -6.942 4.694 1.00 0.00 O ATOM 470 CB THR A 36 7.070 -7.242 2.344 1.00 0.00 C ATOM 471 OG1 THR A 36 8.153 -6.623 1.656 1.00 0.00 O ATOM 472 CG2 THR A 36 5.929 -7.236 1.324 1.00 0.00 C ATOM 0 H THR A 36 8.860 -6.462 3.889 1.00 0.00 H new ATOM 0 HA THR A 36 6.166 -5.496 3.184 1.00 0.00 H new ATOM 0 HB THR A 36 7.226 -8.257 2.708 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.394 -7.161 0.873 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.171 -7.912 0.504 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.008 -7.565 1.806 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.794 -6.227 0.935 1.00 0.00 H new ATOM 480 N LYS A 37 6.779 -7.591 5.572 1.00 0.00 N ATOM 481 CA LYS A 37 6.179 -8.272 6.707 1.00 0.00 C ATOM 482 C LYS A 37 5.585 -7.235 7.662 1.00 0.00 C ATOM 483 O LYS A 37 4.434 -7.355 8.077 1.00 0.00 O ATOM 484 CB LYS A 37 7.194 -9.207 7.368 1.00 0.00 C ATOM 485 CG LYS A 37 6.521 -10.495 7.847 1.00 0.00 C ATOM 486 CD LYS A 37 6.936 -11.685 6.980 1.00 0.00 C ATOM 487 CE LYS A 37 7.853 -12.634 7.754 1.00 0.00 C ATOM 488 NZ LYS A 37 7.233 -13.973 7.873 1.00 0.00 N ATOM 0 H LYS A 37 7.798 -7.625 5.544 1.00 0.00 H new ATOM 0 HA LYS A 37 5.359 -8.910 6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.987 -9.448 6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.663 -8.702 8.212 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.790 -10.686 8.886 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.438 -10.377 7.815 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.049 -12.223 6.646 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.448 -11.328 6.086 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.814 -12.716 7.246 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.051 -12.229 8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.869 -14.604 8.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.327 -13.893 8.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.067 -14.364 6.924 1.00 0.00 H new ATOM 502 N ASP A 38 6.398 -6.239 7.984 1.00 0.00 N ATOM 503 CA ASP A 38 5.968 -5.181 8.882 1.00 0.00 C ATOM 504 C ASP A 38 4.699 -4.531 8.327 1.00 0.00 C ATOM 505 O ASP A 38 3.719 -4.358 9.049 1.00 0.00 O ATOM 506 CB ASP A 38 7.039 -4.096 9.009 1.00 0.00 C ATOM 507 CG ASP A 38 8.345 -4.551 9.662 1.00 0.00 C ATOM 508 OD1 ASP A 38 8.322 -5.635 10.284 1.00 0.00 O ATOM 509 OD2 ASP A 38 9.338 -3.803 9.526 1.00 0.00 O ATOM 0 H ASP A 38 7.353 -6.143 7.639 1.00 0.00 H new ATOM 0 HA ASP A 38 5.786 -5.624 9.861 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.263 -3.709 8.015 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.630 -3.268 9.588 1.00 0.00 H new ATOM 514 N ILE A 39 4.759 -4.188 7.048 1.00 0.00 N ATOM 515 CA ILE A 39 3.627 -3.561 6.388 1.00 0.00 C ATOM 516 C ILE A 39 2.473 -4.562 6.302 1.00 0.00 C ATOM 517 O ILE A 39 1.326 -4.174 6.084 1.00 0.00 O ATOM 518 CB ILE A 39 4.048 -2.990 5.032 1.00 0.00 C ATOM 519 CG1 ILE A 39 5.130 -1.921 5.199 1.00 0.00 C ATOM 520 CG2 ILE A 39 2.836 -2.464 4.259 1.00 0.00 C ATOM 521 CD1 ILE A 39 5.760 -1.563 3.851 1.00 0.00 C ATOM 0 H ILE A 39 5.574 -4.333 6.452 1.00 0.00 H new ATOM 0 HA ILE A 39 3.269 -2.711 6.970 1.00 0.00 H new ATOM 0 HB ILE A 39 4.482 -3.797 4.441 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.698 -1.028 5.651 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.901 -2.282 5.880 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.162 -2.064 3.299 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.130 -3.278 4.092 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.351 -1.676 4.835 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.526 -0.801 3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.213 -2.453 3.413 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.991 -1.180 3.180 1.00 0.00 H new ATOM 533 N GLU A 40 2.817 -5.829 6.479 1.00 0.00 N ATOM 534 CA GLU A 40 1.823 -6.888 6.425 1.00 0.00 C ATOM 535 C GLU A 40 1.094 -7.001 7.765 1.00 0.00 C ATOM 536 O GLU A 40 -0.101 -6.724 7.851 1.00 0.00 O ATOM 537 CB GLU A 40 2.464 -8.221 6.035 1.00 0.00 C ATOM 538 CG GLU A 40 1.791 -9.387 6.764 1.00 0.00 C ATOM 539 CD GLU A 40 2.043 -10.708 6.034 1.00 0.00 C ATOM 540 OE1 GLU A 40 1.950 -10.694 4.787 1.00 0.00 O ATOM 541 OE2 GLU A 40 2.322 -11.701 6.739 1.00 0.00 O ATOM 0 H GLU A 40 3.769 -6.146 6.660 1.00 0.00 H new ATOM 0 HA GLU A 40 1.092 -6.635 5.657 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.384 -8.366 4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.527 -8.202 6.276 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.172 -9.452 7.783 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.719 -9.206 6.836 1.00 0.00 H new ATOM 548 N ASP A 41 1.844 -7.408 8.778 1.00 0.00 N ATOM 549 CA ASP A 41 1.284 -7.561 10.110 1.00 0.00 C ATOM 550 C ASP A 41 0.646 -6.240 10.545 1.00 0.00 C ATOM 551 O ASP A 41 -0.256 -6.228 11.381 1.00 0.00 O ATOM 552 CB ASP A 41 2.370 -7.919 11.127 1.00 0.00 C ATOM 553 CG ASP A 41 3.008 -9.296 10.933 1.00 0.00 C ATOM 554 OD1 ASP A 41 2.250 -10.230 10.592 1.00 0.00 O ATOM 555 OD2 ASP A 41 4.239 -9.384 11.131 1.00 0.00 O ATOM 0 H ASP A 41 2.835 -7.637 8.703 1.00 0.00 H new ATOM 0 HA ASP A 41 0.545 -8.362 10.075 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.153 -7.162 11.081 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.940 -7.872 12.127 1.00 0.00 H new ATOM 560 N VAL A 42 1.141 -5.160 9.959 1.00 0.00 N ATOM 561 CA VAL A 42 0.630 -3.837 10.275 1.00 0.00 C ATOM 562 C VAL A 42 -0.853 -3.766 9.909 1.00 0.00 C ATOM 563 O VAL A 42 -1.702 -3.572 10.777 1.00 0.00 O ATOM 564 CB VAL A 42 1.471 -2.769 9.572 1.00 0.00 C ATOM 565 CG1 VAL A 42 0.632 -1.529 9.258 1.00 0.00 C ATOM 566 CG2 VAL A 42 2.700 -2.402 10.407 1.00 0.00 C ATOM 0 H VAL A 42 1.890 -5.174 9.267 1.00 0.00 H new ATOM 0 HA VAL A 42 0.710 -3.643 11.345 1.00 0.00 H new ATOM 0 HB VAL A 42 1.820 -3.186 8.627 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.254 -0.786 8.759 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.197 -1.806 8.606 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.240 -1.110 10.185 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.281 -1.641 9.885 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.380 -2.014 11.374 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.316 -3.289 10.557 1.00 0.00 H new ATOM 576 N PHE A 43 -1.120 -3.927 8.621 1.00 0.00 N ATOM 577 CA PHE A 43 -2.487 -3.884 8.129 1.00 0.00 C ATOM 578 C PHE A 43 -3.288 -5.088 8.628 1.00 0.00 C ATOM 579 O PHE A 43 -4.510 -5.018 8.749 1.00 0.00 O ATOM 580 CB PHE A 43 -2.414 -3.933 6.602 1.00 0.00 C ATOM 581 CG PHE A 43 -2.136 -2.577 5.948 1.00 0.00 C ATOM 582 CD1 PHE A 43 -0.892 -2.031 6.019 1.00 0.00 C ATOM 583 CD2 PHE A 43 -3.131 -1.919 5.297 1.00 0.00 C ATOM 584 CE1 PHE A 43 -0.634 -0.773 5.413 1.00 0.00 C ATOM 585 CE2 PHE A 43 -2.873 -0.661 4.690 1.00 0.00 C ATOM 586 CZ PHE A 43 -1.630 -0.115 4.761 1.00 0.00 C ATOM 0 H PHE A 43 -0.413 -4.087 7.903 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.982 -2.980 8.484 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.632 -4.634 6.308 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.355 -4.325 6.216 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.101 -2.554 6.536 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.118 -2.353 5.241 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.353 -0.339 5.470 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.664 -0.139 4.172 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.433 0.841 4.300 1.00 0.00 H new ATOM 596 N TYR A 44 -2.567 -6.165 8.905 1.00 0.00 N ATOM 597 CA TYR A 44 -3.195 -7.382 9.388 1.00 0.00 C ATOM 598 C TYR A 44 -4.045 -7.105 10.630 1.00 0.00 C ATOM 599 O TYR A 44 -4.907 -7.907 10.988 1.00 0.00 O ATOM 600 CB TYR A 44 -2.051 -8.325 9.768 1.00 0.00 C ATOM 601 CG TYR A 44 -2.423 -9.808 9.716 1.00 0.00 C ATOM 602 CD1 TYR A 44 -3.014 -10.410 10.809 1.00 0.00 C ATOM 603 CD2 TYR A 44 -2.168 -10.544 8.577 1.00 0.00 C ATOM 604 CE1 TYR A 44 -3.364 -11.806 10.759 1.00 0.00 C ATOM 605 CE2 TYR A 44 -2.518 -11.939 8.528 1.00 0.00 C ATOM 606 CZ TYR A 44 -3.099 -12.502 9.621 1.00 0.00 C ATOM 607 OH TYR A 44 -3.430 -13.820 9.575 1.00 0.00 O ATOM 0 H TYR A 44 -1.553 -6.219 8.804 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.850 -7.804 8.626 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.210 -8.148 9.097 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.712 -8.081 10.775 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.214 -9.834 11.701 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.706 -10.073 7.722 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.827 -12.290 11.607 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.323 -12.526 7.643 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.184 -14.189 8.701 1.00 0.00 H new ATOM 617 N LYS A 45 -3.773 -5.968 11.252 1.00 0.00 N ATOM 618 CA LYS A 45 -4.502 -5.575 12.446 1.00 0.00 C ATOM 619 C LYS A 45 -5.986 -5.427 12.106 1.00 0.00 C ATOM 620 O LYS A 45 -6.829 -5.374 13.001 1.00 0.00 O ATOM 621 CB LYS A 45 -3.884 -4.319 13.062 1.00 0.00 C ATOM 622 CG LYS A 45 -4.523 -3.054 12.485 1.00 0.00 C ATOM 623 CD LYS A 45 -5.527 -2.449 13.469 1.00 0.00 C ATOM 624 CE LYS A 45 -4.813 -1.627 14.544 1.00 0.00 C ATOM 625 NZ LYS A 45 -4.981 -0.179 14.287 1.00 0.00 N ATOM 0 H LYS A 45 -3.058 -5.306 10.952 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.425 -6.348 13.211 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.017 -4.337 14.144 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.811 -4.307 12.873 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.748 -2.323 12.255 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.025 -3.291 11.547 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.233 -1.816 12.931 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.106 -3.244 13.939 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.213 -1.877 15.527 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.753 -1.879 14.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.490 0.364 15.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.578 0.058 13.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.993 0.060 14.296 1.00 0.00 H new ATOM 639 N TYR A 46 -6.261 -5.365 10.812 1.00 0.00 N ATOM 640 CA TYR A 46 -7.629 -5.224 10.343 1.00 0.00 C ATOM 641 C TYR A 46 -8.201 -6.575 9.908 1.00 0.00 C ATOM 642 O TYR A 46 -9.267 -6.979 10.369 1.00 0.00 O ATOM 643 CB TYR A 46 -7.565 -4.296 9.128 1.00 0.00 C ATOM 644 CG TYR A 46 -7.482 -2.811 9.484 1.00 0.00 C ATOM 645 CD1 TYR A 46 -6.253 -2.215 9.678 1.00 0.00 C ATOM 646 CD2 TYR A 46 -8.638 -2.066 9.610 1.00 0.00 C ATOM 647 CE1 TYR A 46 -6.176 -0.816 10.013 1.00 0.00 C ATOM 648 CE2 TYR A 46 -8.560 -0.668 9.945 1.00 0.00 C ATOM 649 CZ TYR A 46 -7.333 -0.112 10.130 1.00 0.00 C ATOM 650 OH TYR A 46 -7.260 1.209 10.446 1.00 0.00 O ATOM 0 H TYR A 46 -5.559 -5.410 10.073 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.268 -4.833 11.135 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.698 -4.564 8.524 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.447 -4.462 8.510 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.349 -2.797 9.579 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.600 -2.532 9.457 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.220 -0.337 10.168 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.456 -0.074 10.047 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.424 1.583 10.096 1.00 0.00 H new ATOM 660 N GLY A 47 -7.467 -7.236 9.025 1.00 0.00 N ATOM 661 CA GLY A 47 -7.888 -8.533 8.523 1.00 0.00 C ATOM 662 C GLY A 47 -6.686 -9.357 8.056 1.00 0.00 C ATOM 663 O GLY A 47 -5.707 -9.502 8.787 1.00 0.00 O ATOM 0 H GLY A 47 -6.583 -6.898 8.644 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.422 -9.073 9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.584 -8.398 7.695 1.00 0.00 H new ATOM 667 N ALA A 48 -6.800 -9.875 6.842 1.00 0.00 N ATOM 668 CA ALA A 48 -5.735 -10.681 6.270 1.00 0.00 C ATOM 669 C ALA A 48 -5.296 -10.067 4.938 1.00 0.00 C ATOM 670 O ALA A 48 -6.031 -9.282 4.341 1.00 0.00 O ATOM 671 CB ALA A 48 -6.213 -12.126 6.116 1.00 0.00 C ATOM 0 H ALA A 48 -7.613 -9.752 6.239 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.867 -10.694 6.930 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.414 -12.730 5.687 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.485 -12.525 7.093 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.082 -12.154 5.458 1.00 0.00 H new ATOM 677 N ILE A 49 -4.101 -10.448 4.513 1.00 0.00 N ATOM 678 CA ILE A 49 -3.556 -9.945 3.263 1.00 0.00 C ATOM 679 C ILE A 49 -3.358 -11.110 2.292 1.00 0.00 C ATOM 680 O ILE A 49 -3.016 -12.217 2.706 1.00 0.00 O ATOM 681 CB ILE A 49 -2.282 -9.137 3.521 1.00 0.00 C ATOM 682 CG1 ILE A 49 -2.585 -7.885 4.347 1.00 0.00 C ATOM 683 CG2 ILE A 49 -1.572 -8.800 2.208 1.00 0.00 C ATOM 684 CD1 ILE A 49 -1.347 -7.424 5.118 1.00 0.00 C ATOM 0 H ILE A 49 -3.494 -11.099 5.012 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.256 -9.254 2.794 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.600 -9.752 4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.927 -7.085 3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.396 -8.093 5.045 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.670 -8.226 2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.303 -9.722 1.693 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.237 -8.212 1.575 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.590 -6.533 5.697 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.022 -8.217 5.792 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.546 -7.194 4.416 1.00 0.00 H new ATOM 696 N ARG A 50 -3.583 -10.822 1.018 1.00 0.00 N ATOM 697 CA ARG A 50 -3.434 -11.833 -0.015 1.00 0.00 C ATOM 698 C ARG A 50 -2.016 -11.800 -0.589 1.00 0.00 C ATOM 699 O ARG A 50 -1.481 -12.833 -0.990 1.00 0.00 O ATOM 700 CB ARG A 50 -4.440 -11.615 -1.147 1.00 0.00 C ATOM 701 CG ARG A 50 -4.162 -12.561 -2.317 1.00 0.00 C ATOM 702 CD ARG A 50 -5.463 -13.153 -2.864 1.00 0.00 C ATOM 703 NE ARG A 50 -5.411 -14.631 -2.805 1.00 0.00 N ATOM 704 CZ ARG A 50 -5.342 -15.335 -1.666 1.00 0.00 C ATOM 705 NH1 ARG A 50 -5.315 -14.700 -0.487 1.00 0.00 N ATOM 706 NH2 ARG A 50 -5.299 -16.673 -1.708 1.00 0.00 N ATOM 0 H ARG A 50 -3.867 -9.903 0.678 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.622 -12.805 0.442 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.452 -11.778 -0.776 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.389 -10.582 -1.490 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.642 -12.022 -3.109 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.501 -13.364 -1.991 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.311 -12.787 -2.284 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.616 -12.827 -3.893 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.429 -15.146 -3.685 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.347 -13.681 -0.456 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.263 -15.235 0.380 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.319 -17.156 -2.606 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.246 -17.209 -0.842 1.00 0.00 H new ATOM 720 N ASP A 51 -1.447 -10.604 -0.609 1.00 0.00 N ATOM 721 CA ASP A 51 -0.101 -10.423 -1.127 1.00 0.00 C ATOM 722 C ASP A 51 0.291 -8.949 -1.013 1.00 0.00 C ATOM 723 O ASP A 51 -0.571 -8.083 -0.868 1.00 0.00 O ATOM 724 CB ASP A 51 -0.021 -10.821 -2.602 1.00 0.00 C ATOM 725 CG ASP A 51 1.398 -10.980 -3.152 1.00 0.00 C ATOM 726 OD1 ASP A 51 2.147 -11.789 -2.563 1.00 0.00 O ATOM 727 OD2 ASP A 51 1.700 -10.290 -4.149 1.00 0.00 O ATOM 0 H ASP A 51 -1.893 -9.750 -0.275 1.00 0.00 H new ATOM 0 HA ASP A 51 0.572 -11.054 -0.546 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.555 -11.761 -2.739 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.542 -10.069 -3.195 1.00 0.00 H new ATOM 732 N ILE A 52 1.592 -8.708 -1.082 1.00 0.00 N ATOM 733 CA ILE A 52 2.109 -7.354 -0.988 1.00 0.00 C ATOM 734 C ILE A 52 3.191 -7.151 -2.050 1.00 0.00 C ATOM 735 O ILE A 52 4.229 -7.810 -2.019 1.00 0.00 O ATOM 736 CB ILE A 52 2.582 -7.058 0.436 1.00 0.00 C ATOM 737 CG1 ILE A 52 1.410 -7.076 1.419 1.00 0.00 C ATOM 738 CG2 ILE A 52 3.358 -5.741 0.494 1.00 0.00 C ATOM 739 CD1 ILE A 52 1.893 -7.352 2.844 1.00 0.00 C ATOM 0 H ILE A 52 2.304 -9.429 -1.202 1.00 0.00 H new ATOM 0 HA ILE A 52 1.320 -6.630 -1.193 1.00 0.00 H new ATOM 0 HB ILE A 52 3.268 -7.849 0.738 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.889 -6.119 1.387 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.692 -7.840 1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.683 -5.555 1.518 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.230 -5.803 -0.157 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.715 -4.925 0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.040 -7.359 3.522 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.392 -8.321 2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.592 -6.573 3.149 1.00 0.00 H new ATOM 751 N ASP A 53 2.912 -6.235 -2.967 1.00 0.00 N ATOM 752 CA ASP A 53 3.849 -5.937 -4.036 1.00 0.00 C ATOM 753 C ASP A 53 4.563 -4.619 -3.730 1.00 0.00 C ATOM 754 O ASP A 53 3.969 -3.548 -3.835 1.00 0.00 O ATOM 755 CB ASP A 53 3.124 -5.782 -5.375 1.00 0.00 C ATOM 756 CG ASP A 53 3.089 -7.043 -6.241 1.00 0.00 C ATOM 757 OD1 ASP A 53 2.679 -8.092 -5.699 1.00 0.00 O ATOM 758 OD2 ASP A 53 3.473 -6.929 -7.425 1.00 0.00 O ATOM 0 H ASP A 53 2.050 -5.690 -2.991 1.00 0.00 H new ATOM 0 HA ASP A 53 4.559 -6.762 -4.103 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.100 -5.464 -5.182 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.604 -4.984 -5.941 1.00 0.00 H new ATOM 763 N LEU A 54 5.829 -4.742 -3.358 1.00 0.00 N ATOM 764 CA LEU A 54 6.631 -3.574 -3.036 1.00 0.00 C ATOM 765 C LEU A 54 7.654 -3.341 -4.149 1.00 0.00 C ATOM 766 O LEU A 54 8.472 -4.212 -4.438 1.00 0.00 O ATOM 767 CB LEU A 54 7.257 -3.720 -1.647 1.00 0.00 C ATOM 768 CG LEU A 54 8.363 -2.722 -1.301 1.00 0.00 C ATOM 769 CD1 LEU A 54 7.813 -1.559 -0.473 1.00 0.00 C ATOM 770 CD2 LEU A 54 9.533 -3.419 -0.605 1.00 0.00 C ATOM 0 H LEU A 54 6.319 -5.633 -3.272 1.00 0.00 H new ATOM 0 HA LEU A 54 6.004 -2.684 -2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.466 -3.628 -0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.663 -4.727 -1.558 1.00 0.00 H new ATOM 0 HG LEU A 54 8.747 -2.302 -2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.620 -0.864 -0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.041 -1.041 -1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.386 -1.942 0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.305 -2.687 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.183 -3.885 0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 54 9.946 -4.183 -1.264 1.00 0.00 H new ATOM 782 N LYS A 55 7.573 -2.159 -4.744 1.00 0.00 N ATOM 783 CA LYS A 55 8.482 -1.800 -5.820 1.00 0.00 C ATOM 784 C LYS A 55 9.863 -1.496 -5.235 1.00 0.00 C ATOM 785 O LYS A 55 10.852 -2.122 -5.612 1.00 0.00 O ATOM 786 CB LYS A 55 7.901 -0.655 -6.652 1.00 0.00 C ATOM 787 CG LYS A 55 6.787 -1.157 -7.573 1.00 0.00 C ATOM 788 CD LYS A 55 7.189 -1.022 -9.043 1.00 0.00 C ATOM 789 CE LYS A 55 5.955 -0.963 -9.946 1.00 0.00 C ATOM 790 NZ LYS A 55 6.255 -1.545 -11.273 1.00 0.00 N ATOM 0 H LYS A 55 6.893 -1.439 -4.502 1.00 0.00 H new ATOM 0 HA LYS A 55 8.604 -2.635 -6.510 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.510 0.118 -5.990 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.691 -0.196 -7.247 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.566 -2.200 -7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.874 -0.590 -7.388 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.787 -0.121 -9.179 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.815 -1.866 -9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.131 -1.506 -9.482 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.630 0.071 -10.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.407 -1.497 -11.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.026 -1.010 -11.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.543 -2.538 -11.160 1.00 0.00 H new ATOM 880 N PRO A 61 9.891 7.857 -2.475 1.00 0.00 N ATOM 881 CA PRO A 61 9.902 6.909 -1.374 1.00 0.00 C ATOM 882 C PRO A 61 9.467 5.519 -1.842 1.00 0.00 C ATOM 883 O PRO A 61 9.024 5.353 -2.978 1.00 0.00 O ATOM 884 CB PRO A 61 8.966 7.505 -0.334 1.00 0.00 C ATOM 885 CG PRO A 61 8.111 8.520 -1.075 1.00 0.00 C ATOM 886 CD PRO A 61 8.758 8.776 -2.426 1.00 0.00 C ATOM 0 HA PRO A 61 10.898 6.760 -0.957 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.347 6.733 0.123 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.528 7.980 0.470 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.096 8.143 -1.203 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.038 9.446 -0.505 1.00 0.00 H new ATOM 0 HD2 PRO A 61 8.060 8.587 -3.241 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.084 9.812 -2.519 1.00 0.00 H new ATOM 894 N PRO A 62 9.614 4.530 -0.920 1.00 0.00 N ATOM 895 CA PRO A 62 9.242 3.160 -1.228 1.00 0.00 C ATOM 896 C PRO A 62 7.722 2.989 -1.219 1.00 0.00 C ATOM 897 O PRO A 62 7.057 3.362 -0.254 1.00 0.00 O ATOM 898 CB PRO A 62 9.940 2.317 -0.172 1.00 0.00 C ATOM 899 CG PRO A 62 10.295 3.271 0.956 1.00 0.00 C ATOM 900 CD PRO A 62 10.136 4.690 0.434 1.00 0.00 C ATOM 0 HA PRO A 62 9.548 2.856 -2.229 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.289 1.518 0.183 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.834 1.843 -0.578 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.645 3.105 1.815 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.318 3.100 1.293 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.452 5.267 1.057 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.088 5.220 0.431 1.00 0.00 H new ATOM 908 N PHE A 63 7.216 2.425 -2.306 1.00 0.00 N ATOM 909 CA PHE A 63 5.786 2.200 -2.436 1.00 0.00 C ATOM 910 C PHE A 63 5.484 0.723 -2.694 1.00 0.00 C ATOM 911 O PHE A 63 6.312 0.005 -3.254 1.00 0.00 O ATOM 912 CB PHE A 63 5.312 3.022 -3.636 1.00 0.00 C ATOM 913 CG PHE A 63 6.150 2.820 -4.900 1.00 0.00 C ATOM 914 CD1 PHE A 63 7.392 3.367 -4.987 1.00 0.00 C ATOM 915 CD2 PHE A 63 5.654 2.092 -5.936 1.00 0.00 C ATOM 916 CE1 PHE A 63 8.170 3.180 -6.160 1.00 0.00 C ATOM 917 CE2 PHE A 63 6.432 1.904 -7.109 1.00 0.00 C ATOM 918 CZ PHE A 63 7.674 2.452 -7.196 1.00 0.00 C ATOM 0 H PHE A 63 7.771 2.117 -3.105 1.00 0.00 H new ATOM 0 HA PHE A 63 5.279 2.491 -1.516 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.276 2.763 -3.854 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.327 4.078 -3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.787 3.944 -4.164 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.668 1.657 -5.867 1.00 0.00 H new ATOM 0 HE1 PHE A 63 9.156 3.616 -6.229 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.038 1.326 -7.932 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.266 2.309 -8.088 1.00 0.00 H new ATOM 928 N ALA A 64 4.297 0.312 -2.274 1.00 0.00 N ATOM 929 CA ALA A 64 3.876 -1.067 -2.452 1.00 0.00 C ATOM 930 C ALA A 64 2.348 -1.125 -2.519 1.00 0.00 C ATOM 931 O ALA A 64 1.669 -0.190 -2.097 1.00 0.00 O ATOM 932 CB ALA A 64 4.443 -1.925 -1.319 1.00 0.00 C ATOM 0 H ALA A 64 3.613 0.910 -1.811 1.00 0.00 H new ATOM 0 HA ALA A 64 4.263 -1.468 -3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.127 -2.960 -1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.532 -1.873 -1.333 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.075 -1.554 -0.362 1.00 0.00 H new ATOM 938 N PHE A 65 1.852 -2.232 -3.052 1.00 0.00 N ATOM 939 CA PHE A 65 0.418 -2.424 -3.179 1.00 0.00 C ATOM 940 C PHE A 65 -0.038 -3.670 -2.419 1.00 0.00 C ATOM 941 O PHE A 65 0.302 -4.791 -2.795 1.00 0.00 O ATOM 942 CB PHE A 65 0.122 -2.613 -4.668 1.00 0.00 C ATOM 943 CG PHE A 65 0.519 -1.418 -5.538 1.00 0.00 C ATOM 944 CD1 PHE A 65 1.832 -1.103 -5.702 1.00 0.00 C ATOM 945 CD2 PHE A 65 -0.441 -0.671 -6.147 1.00 0.00 C ATOM 946 CE1 PHE A 65 2.200 0.006 -6.509 1.00 0.00 C ATOM 947 CE2 PHE A 65 -0.072 0.437 -6.954 1.00 0.00 C ATOM 948 CZ PHE A 65 1.241 0.752 -7.118 1.00 0.00 C ATOM 0 H PHE A 65 2.418 -3.005 -3.401 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.110 -1.565 -2.765 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.649 -3.499 -5.023 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.944 -2.804 -4.795 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.594 -1.696 -5.219 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.484 -0.921 -6.017 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.242 0.257 -6.639 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.834 1.030 -7.438 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.521 1.595 -7.732 1.00 0.00 H new ATOM 958 N VAL A 66 -0.801 -3.434 -1.362 1.00 0.00 N ATOM 959 CA VAL A 66 -1.308 -4.524 -0.545 1.00 0.00 C ATOM 960 C VAL A 66 -2.662 -4.979 -1.092 1.00 0.00 C ATOM 961 O VAL A 66 -3.502 -4.153 -1.446 1.00 0.00 O ATOM 962 CB VAL A 66 -1.370 -4.093 0.922 1.00 0.00 C ATOM 963 CG1 VAL A 66 -1.635 -5.292 1.835 1.00 0.00 C ATOM 964 CG2 VAL A 66 -0.090 -3.363 1.334 1.00 0.00 C ATOM 0 H VAL A 66 -1.081 -2.503 -1.052 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.635 -5.380 -0.590 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.202 -3.398 1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.674 -4.958 2.872 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.586 -5.751 1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.834 -6.022 1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.160 -3.068 2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.766 -4.025 1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.038 -2.475 0.714 1.00 0.00 H new ATOM 974 N GLU A 67 -2.831 -6.292 -1.145 1.00 0.00 N ATOM 975 CA GLU A 67 -4.069 -6.867 -1.643 1.00 0.00 C ATOM 976 C GLU A 67 -4.791 -7.622 -0.526 1.00 0.00 C ATOM 977 O GLU A 67 -4.268 -8.600 0.007 1.00 0.00 O ATOM 978 CB GLU A 67 -3.805 -7.782 -2.841 1.00 0.00 C ATOM 979 CG GLU A 67 -5.110 -8.138 -3.557 1.00 0.00 C ATOM 980 CD GLU A 67 -4.952 -8.020 -5.075 1.00 0.00 C ATOM 981 OE1 GLU A 67 -4.149 -7.160 -5.496 1.00 0.00 O ATOM 982 OE2 GLU A 67 -5.638 -8.792 -5.778 1.00 0.00 O ATOM 0 H GLU A 67 -2.132 -6.974 -0.851 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.713 -6.056 -1.982 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.127 -7.289 -3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.310 -8.693 -2.505 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.407 -9.154 -3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.907 -7.476 -3.218 1.00 0.00 H new ATOM 989 N PHE A 68 -5.983 -7.140 -0.203 1.00 0.00 N ATOM 990 CA PHE A 68 -6.782 -7.757 0.841 1.00 0.00 C ATOM 991 C PHE A 68 -7.692 -8.844 0.266 1.00 0.00 C ATOM 992 O PHE A 68 -7.856 -8.942 -0.950 1.00 0.00 O ATOM 993 CB PHE A 68 -7.649 -6.654 1.452 1.00 0.00 C ATOM 994 CG PHE A 68 -6.976 -5.896 2.598 1.00 0.00 C ATOM 995 CD1 PHE A 68 -6.969 -6.425 3.851 1.00 0.00 C ATOM 996 CD2 PHE A 68 -6.384 -4.694 2.364 1.00 0.00 C ATOM 997 CE1 PHE A 68 -6.345 -5.721 4.915 1.00 0.00 C ATOM 998 CE2 PHE A 68 -5.759 -3.991 3.428 1.00 0.00 C ATOM 999 CZ PHE A 68 -5.753 -4.520 4.681 1.00 0.00 C ATOM 0 H PHE A 68 -6.414 -6.329 -0.647 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.131 -8.221 1.582 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.920 -5.944 0.670 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.576 -7.095 1.817 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.438 -7.380 4.037 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.389 -4.274 1.369 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.341 -6.140 5.910 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.289 -3.037 3.242 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.278 -3.986 5.490 1.00 0.00 H new ATOM 1009 N GLU A 69 -8.260 -9.633 1.166 1.00 0.00 N ATOM 1010 CA GLU A 69 -9.149 -10.709 0.762 1.00 0.00 C ATOM 1011 C GLU A 69 -10.556 -10.167 0.505 1.00 0.00 C ATOM 1012 O GLU A 69 -11.219 -10.578 -0.447 1.00 0.00 O ATOM 1013 CB GLU A 69 -9.174 -11.822 1.812 1.00 0.00 C ATOM 1014 CG GLU A 69 -7.902 -12.669 1.744 1.00 0.00 C ATOM 1015 CD GLU A 69 -7.955 -13.644 0.565 1.00 0.00 C ATOM 1016 OE1 GLU A 69 -7.777 -13.165 -0.575 1.00 0.00 O ATOM 1017 OE2 GLU A 69 -8.172 -14.845 0.832 1.00 0.00 O ATOM 0 H GLU A 69 -8.122 -9.549 2.173 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.771 -11.138 -0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.272 -11.386 2.806 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.046 -12.456 1.654 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.033 -12.019 1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.780 -13.224 2.674 1.00 0.00 H new ATOM 1024 N ASP A 70 -10.971 -9.252 1.369 1.00 0.00 N ATOM 1025 CA ASP A 70 -12.287 -8.649 1.246 1.00 0.00 C ATOM 1026 C ASP A 70 -12.134 -7.153 0.962 1.00 0.00 C ATOM 1027 O ASP A 70 -11.122 -6.551 1.317 1.00 0.00 O ATOM 1028 CB ASP A 70 -13.087 -8.805 2.541 1.00 0.00 C ATOM 1029 CG ASP A 70 -13.332 -10.250 2.980 1.00 0.00 C ATOM 1030 OD1 ASP A 70 -12.340 -11.008 3.016 1.00 0.00 O ATOM 1031 OD2 ASP A 70 -14.508 -10.563 3.268 1.00 0.00 O ATOM 0 H ASP A 70 -10.419 -8.914 2.157 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.813 -9.151 0.434 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.561 -8.283 3.340 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.050 -8.311 2.417 1.00 0.00 H new ATOM 1036 N PRO A 71 -13.181 -6.582 0.309 1.00 0.00 N ATOM 1037 CA PRO A 71 -13.172 -5.168 -0.027 1.00 0.00 C ATOM 1038 C PRO A 71 -13.432 -4.309 1.212 1.00 0.00 C ATOM 1039 O PRO A 71 -12.737 -3.321 1.444 1.00 0.00 O ATOM 1040 CB PRO A 71 -14.243 -5.011 -1.094 1.00 0.00 C ATOM 1041 CG PRO A 71 -15.126 -6.243 -0.984 1.00 0.00 C ATOM 1042 CD PRO A 71 -14.396 -7.264 -0.126 1.00 0.00 C ATOM 0 HA PRO A 71 -12.205 -4.830 -0.399 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.821 -4.101 -0.936 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.798 -4.937 -2.086 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -16.086 -5.986 -0.537 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -15.334 -6.653 -1.972 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -15.003 -7.573 0.725 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -14.163 -8.164 -0.694 1.00 0.00 H new ATOM 1050 N ARG A 72 -14.435 -4.717 1.976 1.00 0.00 N ATOM 1051 CA ARG A 72 -14.796 -3.996 3.185 1.00 0.00 C ATOM 1052 C ARG A 72 -13.538 -3.604 3.964 1.00 0.00 C ATOM 1053 O ARG A 72 -13.361 -2.439 4.318 1.00 0.00 O ATOM 1054 CB ARG A 72 -15.699 -4.845 4.083 1.00 0.00 C ATOM 1055 CG ARG A 72 -17.011 -5.187 3.373 1.00 0.00 C ATOM 1056 CD ARG A 72 -18.099 -5.560 4.382 1.00 0.00 C ATOM 1057 NE ARG A 72 -19.278 -6.109 3.676 1.00 0.00 N ATOM 1058 CZ ARG A 72 -20.433 -6.425 4.276 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -20.573 -6.247 5.597 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -21.450 -6.918 3.555 1.00 0.00 N ATOM 0 H ARG A 72 -15.009 -5.537 1.781 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.338 -3.099 2.887 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.182 -5.763 4.361 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.911 -4.306 5.006 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.339 -4.335 2.777 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.850 -6.015 2.683 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -17.714 -6.294 5.089 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.387 -4.682 4.960 1.00 0.00 H new ATOM 0 HE ARG A 72 -19.207 -6.256 2.669 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.800 -5.871 6.146 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -21.453 -6.488 6.054 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -21.344 -7.052 2.549 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -22.330 -7.159 4.012 1.00 0.00 H new ATOM 1074 N ASP A 73 -12.698 -4.599 4.208 1.00 0.00 N ATOM 1075 CA ASP A 73 -11.462 -4.372 4.938 1.00 0.00 C ATOM 1076 C ASP A 73 -10.533 -3.493 4.099 1.00 0.00 C ATOM 1077 O ASP A 73 -10.111 -2.427 4.545 1.00 0.00 O ATOM 1078 CB ASP A 73 -10.739 -5.691 5.220 1.00 0.00 C ATOM 1079 CG ASP A 73 -10.947 -6.254 6.627 1.00 0.00 C ATOM 1080 OD1 ASP A 73 -11.410 -5.475 7.488 1.00 0.00 O ATOM 1081 OD2 ASP A 73 -10.639 -7.451 6.811 1.00 0.00 O ATOM 0 H ASP A 73 -12.849 -5.564 3.913 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.712 -3.889 5.882 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.073 -6.433 4.495 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.671 -5.545 5.058 1.00 0.00 H new ATOM 1086 N ALA A 74 -10.241 -3.973 2.899 1.00 0.00 N ATOM 1087 CA ALA A 74 -9.369 -3.245 1.994 1.00 0.00 C ATOM 1088 C ALA A 74 -9.699 -1.752 2.065 1.00 0.00 C ATOM 1089 O ALA A 74 -8.804 -0.911 1.997 1.00 0.00 O ATOM 1090 CB ALA A 74 -9.517 -3.807 0.579 1.00 0.00 C ATOM 0 H ALA A 74 -10.593 -4.857 2.533 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.326 -3.367 2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.862 -3.260 -0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.243 -4.862 0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.551 -3.700 0.251 1.00 0.00 H new ATOM 1096 N GLU A 75 -10.986 -1.470 2.203 1.00 0.00 N ATOM 1097 CA GLU A 75 -11.445 -0.093 2.284 1.00 0.00 C ATOM 1098 C GLU A 75 -11.131 0.490 3.664 1.00 0.00 C ATOM 1099 O GLU A 75 -10.262 1.350 3.795 1.00 0.00 O ATOM 1100 CB GLU A 75 -12.940 0.005 1.974 1.00 0.00 C ATOM 1101 CG GLU A 75 -13.224 -0.371 0.519 1.00 0.00 C ATOM 1102 CD GLU A 75 -14.038 0.719 -0.181 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -15.026 1.173 0.435 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -13.653 1.074 -1.316 1.00 0.00 O ATOM 0 H GLU A 75 -11.725 -2.171 2.261 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.913 0.493 1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -13.497 -0.655 2.639 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.289 1.020 2.166 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.284 -0.524 -0.011 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -13.768 -1.315 0.483 1.00 0.00 H new ATOM 1111 N ASP A 76 -11.857 -0.002 4.657 1.00 0.00 N ATOM 1112 CA ASP A 76 -11.667 0.460 6.022 1.00 0.00 C ATOM 1113 C ASP A 76 -10.171 0.629 6.295 1.00 0.00 C ATOM 1114 O ASP A 76 -9.772 1.498 7.069 1.00 0.00 O ATOM 1115 CB ASP A 76 -12.220 -0.552 7.028 1.00 0.00 C ATOM 1116 CG ASP A 76 -13.712 -0.412 7.331 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -14.254 0.673 7.028 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -14.278 -1.393 7.860 1.00 0.00 O ATOM 0 H ASP A 76 -12.577 -0.715 4.544 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.196 1.406 6.135 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -12.034 -1.557 6.649 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.664 -0.455 7.961 1.00 0.00 H new ATOM 1123 N ALA A 77 -9.384 -0.216 5.645 1.00 0.00 N ATOM 1124 CA ALA A 77 -7.941 -0.171 5.808 1.00 0.00 C ATOM 1125 C ALA A 77 -7.398 1.105 5.162 1.00 0.00 C ATOM 1126 O ALA A 77 -6.787 1.934 5.834 1.00 0.00 O ATOM 1127 CB ALA A 77 -7.320 -1.436 5.211 1.00 0.00 C ATOM 0 H ALA A 77 -9.719 -0.936 5.004 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.675 -0.144 6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.237 -1.402 5.333 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.716 -2.313 5.724 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.564 -1.495 4.150 1.00 0.00 H new ATOM 1133 N VAL A 78 -7.641 1.223 3.865 1.00 0.00 N ATOM 1134 CA VAL A 78 -7.185 2.384 3.120 1.00 0.00 C ATOM 1135 C VAL A 78 -7.747 3.652 3.766 1.00 0.00 C ATOM 1136 O VAL A 78 -7.117 4.708 3.722 1.00 0.00 O ATOM 1137 CB VAL A 78 -7.568 2.245 1.646 1.00 0.00 C ATOM 1138 CG1 VAL A 78 -8.947 2.851 1.378 1.00 0.00 C ATOM 1139 CG2 VAL A 78 -6.507 2.874 0.741 1.00 0.00 C ATOM 0 H VAL A 78 -8.148 0.533 3.311 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.098 2.455 3.154 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.618 1.181 1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.195 2.739 0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.694 2.337 1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.936 3.910 1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.805 2.761 -0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.409 3.933 0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.551 2.376 0.901 1.00 0.00 H new ATOM 1149 N TYR A 79 -8.927 3.507 4.352 1.00 0.00 N ATOM 1150 CA TYR A 79 -9.581 4.627 5.006 1.00 0.00 C ATOM 1151 C TYR A 79 -9.099 4.776 6.450 1.00 0.00 C ATOM 1152 O TYR A 79 -9.332 5.804 7.084 1.00 0.00 O ATOM 1153 CB TYR A 79 -11.075 4.299 5.011 1.00 0.00 C ATOM 1154 CG TYR A 79 -11.862 4.960 3.878 1.00 0.00 C ATOM 1155 CD1 TYR A 79 -11.944 4.345 2.645 1.00 0.00 C ATOM 1156 CD2 TYR A 79 -12.488 6.171 4.087 1.00 0.00 C ATOM 1157 CE1 TYR A 79 -12.684 4.967 1.578 1.00 0.00 C ATOM 1158 CE2 TYR A 79 -13.228 6.794 3.020 1.00 0.00 C ATOM 1159 CZ TYR A 79 -13.290 6.161 1.818 1.00 0.00 C ATOM 1160 OH TYR A 79 -13.989 6.748 0.811 1.00 0.00 O ATOM 0 H TYR A 79 -9.447 2.630 4.387 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.359 5.558 4.485 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.199 3.218 4.943 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.501 4.610 5.965 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -11.453 3.397 2.481 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.423 6.653 5.052 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.756 4.496 0.609 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -13.722 7.742 3.171 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.368 7.595 1.126 1.00 0.00 H new ATOM 1170 N GLY A 80 -8.434 3.734 6.929 1.00 0.00 N ATOM 1171 CA GLY A 80 -7.917 3.736 8.287 1.00 0.00 C ATOM 1172 C GLY A 80 -6.445 4.153 8.313 1.00 0.00 C ATOM 1173 O GLY A 80 -6.129 5.309 8.591 1.00 0.00 O ATOM 0 H GLY A 80 -8.242 2.883 6.401 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.503 4.419 8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.025 2.743 8.722 1.00 0.00 H new ATOM 1177 N ARG A 81 -5.585 3.189 8.018 1.00 0.00 N ATOM 1178 CA ARG A 81 -4.154 3.442 8.004 1.00 0.00 C ATOM 1179 C ARG A 81 -3.865 4.824 7.414 1.00 0.00 C ATOM 1180 O ARG A 81 -2.901 5.480 7.805 1.00 0.00 O ATOM 1181 CB ARG A 81 -3.416 2.381 7.186 1.00 0.00 C ATOM 1182 CG ARG A 81 -3.282 1.076 7.973 1.00 0.00 C ATOM 1183 CD ARG A 81 -2.273 1.226 9.114 1.00 0.00 C ATOM 1184 NE ARG A 81 -2.197 -0.032 9.890 1.00 0.00 N ATOM 1185 CZ ARG A 81 -1.784 -0.105 11.163 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -1.407 1.006 11.810 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -1.747 -1.289 11.789 1.00 0.00 N ATOM 0 H ARG A 81 -5.851 2.232 7.787 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.800 3.402 9.034 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.953 2.195 6.256 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.427 2.749 6.915 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.253 0.789 8.377 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -2.965 0.275 7.305 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.291 1.475 8.712 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.568 2.048 9.766 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.476 -0.897 9.427 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.434 1.908 11.334 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.093 0.950 12.779 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.033 -2.135 11.297 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.433 -1.344 12.758 1.00 0.00 H new ATOM 1201 N ASP A 82 -4.718 5.224 6.482 1.00 0.00 N ATOM 1202 CA ASP A 82 -4.566 6.516 5.834 1.00 0.00 C ATOM 1203 C ASP A 82 -4.322 7.589 6.897 1.00 0.00 C ATOM 1204 O ASP A 82 -5.266 8.092 7.505 1.00 0.00 O ATOM 1205 CB ASP A 82 -5.829 6.896 5.060 1.00 0.00 C ATOM 1206 CG ASP A 82 -6.045 8.399 4.872 1.00 0.00 C ATOM 1207 OD1 ASP A 82 -5.252 8.996 4.112 1.00 0.00 O ATOM 1208 OD2 ASP A 82 -6.999 8.917 5.492 1.00 0.00 O ATOM 0 H ASP A 82 -5.516 4.677 6.160 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.726 6.450 5.143 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.791 6.424 4.078 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.693 6.482 5.579 1.00 0.00 H new ATOM 1213 N GLY A 83 -3.051 7.909 7.090 1.00 0.00 N ATOM 1214 CA GLY A 83 -2.671 8.913 8.069 1.00 0.00 C ATOM 1215 C GLY A 83 -1.984 8.270 9.275 1.00 0.00 C ATOM 1216 O GLY A 83 -1.970 8.843 10.364 1.00 0.00 O ATOM 0 H GLY A 83 -2.270 7.490 6.584 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.001 9.639 7.609 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.555 9.459 8.398 1.00 0.00 H new ATOM 1220 N TYR A 84 -1.430 7.090 9.041 1.00 0.00 N ATOM 1221 CA TYR A 84 -0.743 6.363 10.095 1.00 0.00 C ATOM 1222 C TYR A 84 0.662 6.925 10.323 1.00 0.00 C ATOM 1223 O TYR A 84 1.366 7.252 9.368 1.00 0.00 O ATOM 1224 CB TYR A 84 -0.628 4.918 9.605 1.00 0.00 C ATOM 1225 CG TYR A 84 0.001 3.964 10.623 1.00 0.00 C ATOM 1226 CD1 TYR A 84 -0.229 4.145 11.971 1.00 0.00 C ATOM 1227 CD2 TYR A 84 0.798 2.924 10.192 1.00 0.00 C ATOM 1228 CE1 TYR A 84 0.363 3.248 12.929 1.00 0.00 C ATOM 1229 CE2 TYR A 84 1.391 2.026 11.150 1.00 0.00 C ATOM 1230 CZ TYR A 84 1.144 2.232 12.471 1.00 0.00 C ATOM 1231 OH TYR A 84 1.703 1.384 13.376 1.00 0.00 O ATOM 0 H TYR A 84 -1.443 6.619 8.136 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.289 6.444 11.035 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.622 4.553 9.346 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.034 4.901 8.691 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.853 4.960 12.308 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.978 2.783 9.136 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.191 3.378 13.987 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.017 1.208 10.826 1.00 0.00 H new ATOM 0 HH TYR A 84 2.234 0.707 12.906 1.00 0.00 H new ATOM 1241 N ASP A 85 1.027 7.021 11.592 1.00 0.00 N ATOM 1242 CA ASP A 85 2.335 7.538 11.957 1.00 0.00 C ATOM 1243 C ASP A 85 3.246 6.375 12.357 1.00 0.00 C ATOM 1244 O ASP A 85 3.159 5.870 13.475 1.00 0.00 O ATOM 1245 CB ASP A 85 2.237 8.492 13.149 1.00 0.00 C ATOM 1246 CG ASP A 85 1.014 8.285 14.045 1.00 0.00 C ATOM 1247 OD1 ASP A 85 0.605 7.112 14.184 1.00 0.00 O ATOM 1248 OD2 ASP A 85 0.516 9.304 14.570 1.00 0.00 O ATOM 0 H ASP A 85 0.440 6.750 12.381 1.00 0.00 H new ATOM 0 HA ASP A 85 2.737 8.074 11.097 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.136 8.384 13.756 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.226 9.516 12.776 1.00 0.00 H new ATOM 1253 N TYR A 86 4.098 5.984 11.421 1.00 0.00 N ATOM 1254 CA TYR A 86 5.023 4.890 11.661 1.00 0.00 C ATOM 1255 C TYR A 86 6.474 5.364 11.548 1.00 0.00 C ATOM 1256 O TYR A 86 6.852 5.985 10.556 1.00 0.00 O ATOM 1257 CB TYR A 86 4.750 3.858 10.565 1.00 0.00 C ATOM 1258 CG TYR A 86 5.544 2.560 10.720 1.00 0.00 C ATOM 1259 CD1 TYR A 86 6.851 2.494 10.283 1.00 0.00 C ATOM 1260 CD2 TYR A 86 4.953 1.455 11.298 1.00 0.00 C ATOM 1261 CE1 TYR A 86 7.599 1.272 10.429 1.00 0.00 C ATOM 1262 CE2 TYR A 86 5.701 0.233 11.445 1.00 0.00 C ATOM 1263 CZ TYR A 86 6.986 0.201 11.003 1.00 0.00 C ATOM 1264 OH TYR A 86 7.692 -0.953 11.141 1.00 0.00 O ATOM 0 H TYR A 86 4.167 6.405 10.495 1.00 0.00 H new ATOM 0 HA TYR A 86 4.884 4.483 12.663 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.686 3.622 10.559 1.00 0.00 H new ATOM 0 HB3 TYR A 86 4.983 4.301 9.597 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.313 3.359 9.831 1.00 0.00 H new ATOM 0 HD2 TYR A 86 3.930 1.507 11.640 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.623 1.207 10.091 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.251 -0.639 11.896 1.00 0.00 H new ATOM 0 HH TYR A 86 7.129 -1.632 11.568 1.00 0.00 H new ATOM 1274 N ASP A 87 7.246 5.053 12.579 1.00 0.00 N ATOM 1275 CA ASP A 87 8.646 5.439 12.609 1.00 0.00 C ATOM 1276 C ASP A 87 8.749 6.962 12.718 1.00 0.00 C ATOM 1277 O ASP A 87 9.781 7.544 12.387 1.00 0.00 O ATOM 1278 CB ASP A 87 9.364 5.008 11.328 1.00 0.00 C ATOM 1279 CG ASP A 87 10.890 4.970 11.423 1.00 0.00 C ATOM 1280 OD1 ASP A 87 11.429 5.768 12.219 1.00 0.00 O ATOM 1281 OD2 ASP A 87 11.483 4.143 10.697 1.00 0.00 O ATOM 0 H ASP A 87 6.928 4.538 13.400 1.00 0.00 H new ATOM 0 HA ASP A 87 9.111 4.951 13.465 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.008 4.017 11.046 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.082 5.689 10.525 1.00 0.00 H new ATOM 1286 N GLY A 88 7.664 7.564 13.185 1.00 0.00 N ATOM 1287 CA GLY A 88 7.619 9.007 13.342 1.00 0.00 C ATOM 1288 C GLY A 88 7.254 9.692 12.023 1.00 0.00 C ATOM 1289 O GLY A 88 7.210 10.919 11.948 1.00 0.00 O ATOM 0 H GLY A 88 6.810 7.078 13.459 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.888 9.270 14.107 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.587 9.369 13.688 1.00 0.00 H new ATOM 1293 N TYR A 89 7.002 8.869 11.016 1.00 0.00 N ATOM 1294 CA TYR A 89 6.642 9.379 9.705 1.00 0.00 C ATOM 1295 C TYR A 89 5.148 9.194 9.435 1.00 0.00 C ATOM 1296 O TYR A 89 4.546 8.225 9.895 1.00 0.00 O ATOM 1297 CB TYR A 89 7.437 8.548 8.696 1.00 0.00 C ATOM 1298 CG TYR A 89 8.955 8.677 8.842 1.00 0.00 C ATOM 1299 CD1 TYR A 89 9.524 9.915 9.060 1.00 0.00 C ATOM 1300 CD2 TYR A 89 9.754 7.555 8.755 1.00 0.00 C ATOM 1301 CE1 TYR A 89 10.953 10.036 9.197 1.00 0.00 C ATOM 1302 CE2 TYR A 89 11.182 7.676 8.893 1.00 0.00 C ATOM 1303 CZ TYR A 89 11.711 8.911 9.107 1.00 0.00 C ATOM 1304 OH TYR A 89 13.060 9.025 9.236 1.00 0.00 O ATOM 0 H TYR A 89 7.040 7.852 11.082 1.00 0.00 H new ATOM 0 HA TYR A 89 6.862 10.444 9.635 1.00 0.00 H new ATOM 0 HB2 TYR A 89 7.160 7.500 8.805 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.152 8.849 7.688 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.898 10.793 9.128 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.308 6.586 8.583 1.00 0.00 H new ATOM 0 HE1 TYR A 89 11.412 10.999 9.367 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.819 6.806 8.828 1.00 0.00 H new ATOM 0 HH TYR A 89 13.473 8.140 9.151 1.00 0.00 H new ATOM 1314 N ARG A 90 4.592 10.138 8.690 1.00 0.00 N ATOM 1315 CA ARG A 90 3.179 10.091 8.353 1.00 0.00 C ATOM 1316 C ARG A 90 2.973 9.349 7.031 1.00 0.00 C ATOM 1317 O ARG A 90 3.166 9.919 5.959 1.00 0.00 O ATOM 1318 CB ARG A 90 2.593 11.499 8.237 1.00 0.00 C ATOM 1319 CG ARG A 90 2.240 12.062 9.615 1.00 0.00 C ATOM 1320 CD ARG A 90 3.449 12.752 10.251 1.00 0.00 C ATOM 1321 NE ARG A 90 3.297 12.783 11.723 1.00 0.00 N ATOM 1322 CZ ARG A 90 2.508 13.645 12.379 1.00 0.00 C ATOM 1323 NH1 ARG A 90 1.796 14.553 11.698 1.00 0.00 N ATOM 1324 NH2 ARG A 90 2.433 13.600 13.716 1.00 0.00 N ATOM 0 H ARG A 90 5.094 10.940 8.310 1.00 0.00 H new ATOM 0 HA ARG A 90 2.664 9.561 9.155 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.310 12.156 7.745 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.701 11.475 7.611 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.418 12.772 9.522 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.894 11.257 10.263 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.363 12.223 9.983 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.543 13.767 9.865 1.00 0.00 H new ATOM 0 HE ARG A 90 3.826 12.106 12.273 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.854 14.588 10.680 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.195 15.209 12.197 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.976 12.910 14.234 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.833 14.256 14.215 1.00 0.00 H new ATOM 1338 N LEU A 91 2.583 8.088 7.152 1.00 0.00 N ATOM 1339 CA LEU A 91 2.348 7.262 5.979 1.00 0.00 C ATOM 1340 C LEU A 91 1.104 7.767 5.246 1.00 0.00 C ATOM 1341 O LEU A 91 0.260 8.438 5.838 1.00 0.00 O ATOM 1342 CB LEU A 91 2.274 5.785 6.371 1.00 0.00 C ATOM 1343 CG LEU A 91 3.414 5.266 7.250 1.00 0.00 C ATOM 1344 CD1 LEU A 91 3.093 3.875 7.800 1.00 0.00 C ATOM 1345 CD2 LEU A 91 4.744 5.291 6.494 1.00 0.00 C ATOM 0 H LEU A 91 2.424 7.619 8.043 1.00 0.00 H new ATOM 0 HA LEU A 91 3.183 7.342 5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.333 5.615 6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.245 5.189 5.459 1.00 0.00 H new ATOM 0 HG LEU A 91 3.517 5.934 8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.919 3.530 8.421 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.184 3.922 8.399 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.947 3.181 6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.537 4.917 7.141 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.671 4.660 5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.972 6.314 6.193 1.00 0.00 H new ATOM 1357 N ARG A 92 1.030 7.425 3.968 1.00 0.00 N ATOM 1358 CA ARG A 92 -0.097 7.835 3.148 1.00 0.00 C ATOM 1359 C ARG A 92 -0.707 6.624 2.440 1.00 0.00 C ATOM 1360 O ARG A 92 -0.084 6.037 1.557 1.00 0.00 O ATOM 1361 CB ARG A 92 0.329 8.867 2.102 1.00 0.00 C ATOM 1362 CG ARG A 92 -0.887 9.582 1.509 1.00 0.00 C ATOM 1363 CD ARG A 92 -0.609 11.075 1.326 1.00 0.00 C ATOM 1364 NE ARG A 92 -0.069 11.647 2.579 1.00 0.00 N ATOM 1365 CZ ARG A 92 0.453 12.877 2.680 1.00 0.00 C ATOM 1366 NH1 ARG A 92 0.509 13.672 1.602 1.00 0.00 N ATOM 1367 NH2 ARG A 92 0.919 13.313 3.858 1.00 0.00 N ATOM 0 H ARG A 92 1.732 6.869 3.480 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.839 8.287 3.807 1.00 0.00 H new ATOM 0 HB2 ARG A 92 0.998 9.597 2.558 1.00 0.00 H new ATOM 0 HB3 ARG A 92 0.889 8.374 1.307 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.143 9.136 0.548 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.748 9.446 2.163 1.00 0.00 H new ATOM 0 HD2 ARG A 92 0.101 11.224 0.513 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -1.527 11.592 1.046 1.00 0.00 H new ATOM 0 HE ARG A 92 -0.096 11.069 3.419 1.00 0.00 H new ATOM 0 HH11 ARG A 92 0.154 13.341 0.705 1.00 0.00 H new ATOM 0 HH12 ARG A 92 0.906 14.608 1.679 1.00 0.00 H new ATOM 0 HH21 ARG A 92 0.877 12.709 4.679 1.00 0.00 H new ATOM 0 HH22 ARG A 92 1.316 14.249 3.934 1.00 0.00 H new ATOM 1381 N VAL A 93 -1.919 6.285 2.854 1.00 0.00 N ATOM 1382 CA VAL A 93 -2.621 5.153 2.271 1.00 0.00 C ATOM 1383 C VAL A 93 -3.745 5.666 1.368 1.00 0.00 C ATOM 1384 O VAL A 93 -4.563 6.481 1.792 1.00 0.00 O ATOM 1385 CB VAL A 93 -3.119 4.220 3.376 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -3.783 2.975 2.784 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -1.982 3.837 4.325 1.00 0.00 C ATOM 0 H VAL A 93 -2.433 6.774 3.586 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.947 4.565 1.648 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.870 4.757 3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.128 2.328 3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.632 3.273 2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.062 2.435 2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.364 3.173 5.101 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.197 3.328 3.766 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.574 4.737 4.786 1.00 0.00 H new ATOM 1397 N GLU A 94 -3.749 5.168 0.141 1.00 0.00 N ATOM 1398 CA GLU A 94 -4.759 5.565 -0.825 1.00 0.00 C ATOM 1399 C GLU A 94 -4.856 4.531 -1.948 1.00 0.00 C ATOM 1400 O GLU A 94 -3.901 3.799 -2.207 1.00 0.00 O ATOM 1401 CB GLU A 94 -4.464 6.957 -1.386 1.00 0.00 C ATOM 1402 CG GLU A 94 -3.170 6.957 -2.202 1.00 0.00 C ATOM 1403 CD GLU A 94 -2.739 8.384 -2.547 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -2.256 9.071 -1.621 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -2.901 8.755 -3.730 1.00 0.00 O ATOM 0 H GLU A 94 -3.068 4.493 -0.207 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.722 5.611 -0.316 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.294 7.283 -2.013 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.382 7.673 -0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.380 6.461 -1.638 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.314 6.385 -3.119 1.00 0.00 H new ATOM 1412 N PHE A 95 -6.017 4.502 -2.585 1.00 0.00 N ATOM 1413 CA PHE A 95 -6.251 3.570 -3.675 1.00 0.00 C ATOM 1414 C PHE A 95 -5.470 3.980 -4.925 1.00 0.00 C ATOM 1415 O PHE A 95 -5.254 5.167 -5.164 1.00 0.00 O ATOM 1416 CB PHE A 95 -7.748 3.612 -3.986 1.00 0.00 C ATOM 1417 CG PHE A 95 -8.603 2.749 -3.055 1.00 0.00 C ATOM 1418 CD1 PHE A 95 -8.263 1.452 -2.828 1.00 0.00 C ATOM 1419 CD2 PHE A 95 -9.702 3.280 -2.455 1.00 0.00 C ATOM 1420 CE1 PHE A 95 -9.056 0.651 -1.964 1.00 0.00 C ATOM 1421 CE2 PHE A 95 -10.494 2.479 -1.591 1.00 0.00 C ATOM 1422 CZ PHE A 95 -10.155 1.182 -1.364 1.00 0.00 C ATOM 0 H PHE A 95 -6.807 5.110 -2.367 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.923 2.571 -3.387 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.092 4.644 -3.925 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -7.904 3.284 -5.014 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.390 1.031 -3.305 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.972 4.310 -2.636 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.787 -0.379 -1.784 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.366 2.900 -1.114 1.00 0.00 H new ATOM 0 HZ PHE A 95 -10.759 0.573 -0.707 1.00 0.00 H new ATOM 1432 N PRO A 96 -5.058 2.949 -5.709 1.00 0.00 N ATOM 1433 CA PRO A 96 -4.305 3.190 -6.929 1.00 0.00 C ATOM 1434 C PRO A 96 -5.216 3.716 -8.040 1.00 0.00 C ATOM 1435 O PRO A 96 -4.863 4.663 -8.741 1.00 0.00 O ATOM 1436 CB PRO A 96 -3.666 1.853 -7.268 1.00 0.00 C ATOM 1437 CG PRO A 96 -4.453 0.807 -6.494 1.00 0.00 C ATOM 1438 CD PRO A 96 -5.296 1.530 -5.457 1.00 0.00 C ATOM 0 HA PRO A 96 -3.544 3.961 -6.808 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.709 1.660 -8.340 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -2.614 1.840 -6.984 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.088 0.231 -7.168 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -3.777 0.101 -6.011 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.352 1.281 -5.562 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.002 1.253 -4.445 1.00 0.00 H new