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= -0.801 X(o=-0.8,f=-1.1) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0388 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 180:sc=-0.00329 USER MOD Single : A 55 LYS NZ :NH3+ -125:sc= 0.287 (180deg=-1.36!) 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 120:sc= -0.0279 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 263 N ARG A 24 -6.975 -4.070 -3.660 1.00 0.00 N ATOM 264 CA ARG A 24 -5.600 -3.603 -3.716 1.00 0.00 C ATOM 265 C ARG A 24 -5.508 -2.162 -3.209 1.00 0.00 C ATOM 266 O ARG A 24 -6.258 -1.295 -3.655 1.00 0.00 O ATOM 267 CB ARG A 24 -5.053 -3.671 -5.143 1.00 0.00 C ATOM 268 CG ARG A 24 -5.679 -2.587 -6.022 1.00 0.00 C ATOM 269 CD ARG A 24 -5.253 -2.751 -7.483 1.00 0.00 C ATOM 270 NE ARG A 24 -6.203 -3.637 -8.191 1.00 0.00 N ATOM 271 CZ ARG A 24 -7.400 -3.243 -8.647 1.00 0.00 C ATOM 272 NH1 ARG A 24 -7.800 -1.977 -8.471 1.00 0.00 N ATOM 273 NH2 ARG A 24 -8.197 -4.116 -9.278 1.00 0.00 N ATOM 0 HA ARG A 24 -5.002 -4.255 -3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.970 -3.551 -5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.259 -4.653 -5.569 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.765 -2.637 -5.949 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.380 -1.603 -5.661 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.218 -1.777 -7.972 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.247 -3.169 -7.532 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.930 -4.608 -8.341 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.194 -1.313 -7.990 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.711 -1.677 -8.818 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.893 -5.080 -9.411 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.108 -3.816 -9.625 1.00 0.00 H new ATOM 287 N ILE A 25 -4.583 -1.951 -2.285 1.00 0.00 N ATOM 288 CA ILE A 25 -4.384 -0.630 -1.713 1.00 0.00 C ATOM 289 C ILE A 25 -2.919 -0.221 -1.884 1.00 0.00 C ATOM 290 O ILE A 25 -2.019 -1.045 -1.731 1.00 0.00 O ATOM 291 CB ILE A 25 -4.866 -0.596 -0.262 1.00 0.00 C ATOM 292 CG1 ILE A 25 -4.226 -1.720 0.556 1.00 0.00 C ATOM 293 CG2 ILE A 25 -6.394 -0.635 -0.191 1.00 0.00 C ATOM 294 CD1 ILE A 25 -4.366 -1.456 2.056 1.00 0.00 C ATOM 0 H ILE A 25 -3.963 -2.673 -1.918 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.986 0.109 -2.242 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.546 0.347 0.181 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.697 -2.670 0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.171 -1.808 0.296 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.711 -0.610 0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.805 0.227 -0.716 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.757 -1.551 -0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.903 -2.270 2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.873 -0.517 2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.422 -1.392 2.317 1.00 0.00 H new ATOM 306 N TYR A 26 -2.726 1.051 -2.199 1.00 0.00 N ATOM 307 CA TYR A 26 -1.387 1.580 -2.392 1.00 0.00 C ATOM 308 C TYR A 26 -0.916 2.346 -1.155 1.00 0.00 C ATOM 309 O TYR A 26 -1.599 3.255 -0.685 1.00 0.00 O ATOM 310 CB TYR A 26 -1.482 2.549 -3.572 1.00 0.00 C ATOM 311 CG TYR A 26 -0.229 3.403 -3.778 1.00 0.00 C ATOM 312 CD1 TYR A 26 0.828 2.910 -4.516 1.00 0.00 C ATOM 313 CD2 TYR A 26 -0.156 4.666 -3.227 1.00 0.00 C ATOM 314 CE1 TYR A 26 2.007 3.714 -4.711 1.00 0.00 C ATOM 315 CE2 TYR A 26 1.023 5.470 -3.421 1.00 0.00 C ATOM 316 CZ TYR A 26 2.046 4.954 -4.153 1.00 0.00 C ATOM 317 OH TYR A 26 3.160 5.713 -4.337 1.00 0.00 O ATOM 0 H TYR A 26 -3.475 1.731 -2.325 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.678 0.772 -2.571 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.675 1.980 -4.481 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.337 3.208 -3.420 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.771 1.921 -4.947 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.983 5.052 -2.650 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.841 3.341 -5.287 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.093 6.460 -2.995 1.00 0.00 H new ATOM 0 HH TYR A 26 3.047 6.574 -3.883 1.00 0.00 H new ATOM 327 N VAL A 27 0.249 1.950 -0.661 1.00 0.00 N ATOM 328 CA VAL A 27 0.819 2.589 0.513 1.00 0.00 C ATOM 329 C VAL A 27 2.069 3.372 0.106 1.00 0.00 C ATOM 330 O VAL A 27 3.052 2.788 -0.347 1.00 0.00 O ATOM 331 CB VAL A 27 1.095 1.542 1.595 1.00 0.00 C ATOM 332 CG1 VAL A 27 1.695 2.191 2.844 1.00 0.00 C ATOM 333 CG2 VAL A 27 -0.174 0.761 1.939 1.00 0.00 C ATOM 0 H VAL A 27 0.813 1.195 -1.052 1.00 0.00 H new ATOM 0 HA VAL A 27 0.114 3.302 0.941 1.00 0.00 H new ATOM 0 HB VAL A 27 1.825 0.836 1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.882 1.426 3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.633 2.681 2.584 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.998 2.929 3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.050 0.024 2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.936 1.449 2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.542 0.253 1.047 1.00 0.00 H new ATOM 343 N GLY A 28 1.990 4.683 0.282 1.00 0.00 N ATOM 344 CA GLY A 28 3.102 5.552 -0.061 1.00 0.00 C ATOM 345 C GLY A 28 3.712 6.183 1.192 1.00 0.00 C ATOM 346 O GLY A 28 3.264 5.917 2.306 1.00 0.00 O ATOM 0 H GLY A 28 1.173 5.164 0.658 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.863 4.981 -0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.761 6.335 -0.738 1.00 0.00 H new ATOM 350 N ASN A 29 4.725 7.007 0.968 1.00 0.00 N ATOM 351 CA ASN A 29 5.401 7.678 2.065 1.00 0.00 C ATOM 352 C ASN A 29 5.831 6.641 3.104 1.00 0.00 C ATOM 353 O ASN A 29 5.345 6.650 4.234 1.00 0.00 O ATOM 354 CB ASN A 29 4.472 8.680 2.754 1.00 0.00 C ATOM 355 CG ASN A 29 4.495 10.032 2.038 1.00 0.00 C ATOM 356 OD1 ASN A 29 4.849 10.142 0.876 1.00 0.00 O ATOM 357 ND2 ASN A 29 4.099 11.052 2.795 1.00 0.00 N ATOM 0 H ASN A 29 5.094 7.225 0.042 1.00 0.00 H new ATOM 0 HA ASN A 29 6.263 8.206 1.657 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.455 8.289 2.767 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.777 8.809 3.792 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.079 11.996 2.409 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.815 10.890 3.761 1.00 0.00 H new ATOM 364 N LEU A 30 6.739 5.772 2.685 1.00 0.00 N ATOM 365 CA LEU A 30 7.240 4.730 3.565 1.00 0.00 C ATOM 366 C LEU A 30 8.711 5.004 3.887 1.00 0.00 C ATOM 367 O LEU A 30 9.389 5.719 3.149 1.00 0.00 O ATOM 368 CB LEU A 30 6.992 3.349 2.956 1.00 0.00 C ATOM 369 CG LEU A 30 5.531 2.896 2.894 1.00 0.00 C ATOM 370 CD1 LEU A 30 5.312 1.907 1.748 1.00 0.00 C ATOM 371 CD2 LEU A 30 5.077 2.325 4.239 1.00 0.00 C ATOM 0 H LEU A 30 7.141 5.768 1.748 1.00 0.00 H new ATOM 0 HA LEU A 30 6.699 4.738 4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.397 3.342 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.556 2.614 3.530 1.00 0.00 H new ATOM 0 HG LEU A 30 4.911 3.769 2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.266 1.601 1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.571 2.383 0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.943 1.031 1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.036 2.011 4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.698 1.468 4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.173 3.089 5.010 1.00 0.00 H new ATOM 383 N PRO A 31 9.173 4.407 5.018 1.00 0.00 N ATOM 384 CA PRO A 31 10.550 4.580 5.446 1.00 0.00 C ATOM 385 C PRO A 31 11.502 3.753 4.579 1.00 0.00 C ATOM 386 O PRO A 31 11.069 2.857 3.857 1.00 0.00 O ATOM 387 CB PRO A 31 10.563 4.162 6.908 1.00 0.00 C ATOM 388 CG PRO A 31 9.305 3.334 7.115 1.00 0.00 C ATOM 389 CD PRO A 31 8.399 3.555 5.915 1.00 0.00 C ATOM 0 HA PRO A 31 10.899 5.607 5.336 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.456 3.581 7.140 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.570 5.033 7.563 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.555 2.278 7.215 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.800 3.630 8.034 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.138 2.611 5.437 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.464 4.034 6.207 1.00 0.00 H new ATOM 397 N PRO A 32 12.815 4.092 4.683 1.00 0.00 N ATOM 398 CA PRO A 32 13.832 3.391 3.917 1.00 0.00 C ATOM 399 C PRO A 32 14.107 2.007 4.509 1.00 0.00 C ATOM 400 O PRO A 32 14.535 1.098 3.799 1.00 0.00 O ATOM 401 CB PRO A 32 15.047 4.303 3.950 1.00 0.00 C ATOM 402 CG PRO A 32 14.822 5.256 5.112 1.00 0.00 C ATOM 403 CD PRO A 32 13.364 5.148 5.529 1.00 0.00 C ATOM 0 HA PRO A 32 13.525 3.195 2.890 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.963 3.728 4.088 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.151 4.849 3.012 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.477 5.003 5.946 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.060 6.278 4.819 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.272 4.897 6.586 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.838 6.091 5.378 1.00 0.00 H new ATOM 411 N ASP A 33 13.849 1.890 5.803 1.00 0.00 N ATOM 412 CA ASP A 33 14.063 0.632 6.498 1.00 0.00 C ATOM 413 C ASP A 33 12.713 -0.038 6.758 1.00 0.00 C ATOM 414 O ASP A 33 12.445 -0.492 7.870 1.00 0.00 O ATOM 415 CB ASP A 33 14.747 0.858 7.848 1.00 0.00 C ATOM 416 CG ASP A 33 15.661 -0.279 8.309 1.00 0.00 C ATOM 417 OD1 ASP A 33 16.620 -0.573 7.564 1.00 0.00 O ATOM 418 OD2 ASP A 33 15.379 -0.828 9.396 1.00 0.00 O ATOM 0 H ASP A 33 13.494 2.646 6.389 1.00 0.00 H new ATOM 0 HA ASP A 33 14.698 0.005 5.872 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.333 1.775 7.792 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.979 1.016 8.605 1.00 0.00 H new ATOM 423 N ILE A 34 11.898 -0.081 5.714 1.00 0.00 N ATOM 424 CA ILE A 34 10.582 -0.688 5.816 1.00 0.00 C ATOM 425 C ILE A 34 10.627 -2.095 5.215 1.00 0.00 C ATOM 426 O ILE A 34 11.484 -2.391 4.383 1.00 0.00 O ATOM 427 CB ILE A 34 9.524 0.217 5.183 1.00 0.00 C ATOM 428 CG1 ILE A 34 8.120 -0.168 5.655 1.00 0.00 C ATOM 429 CG2 ILE A 34 9.638 0.210 3.657 1.00 0.00 C ATOM 430 CD1 ILE A 34 7.902 0.238 7.113 1.00 0.00 C ATOM 0 H ILE A 34 12.124 0.295 4.793 1.00 0.00 H new ATOM 0 HA ILE A 34 10.292 -0.796 6.861 1.00 0.00 H new ATOM 0 HB ILE A 34 9.706 1.239 5.514 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.375 0.316 5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.979 -1.243 5.548 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.874 0.861 3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.625 0.569 3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.496 -0.805 3.286 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.897 -0.047 7.424 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.633 -0.266 7.744 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.020 1.317 7.212 1.00 0.00 H new ATOM 442 N ARG A 35 9.694 -2.924 5.660 1.00 0.00 N ATOM 443 CA ARG A 35 9.616 -4.292 5.177 1.00 0.00 C ATOM 444 C ARG A 35 8.179 -4.633 4.777 1.00 0.00 C ATOM 445 O ARG A 35 7.234 -4.000 5.246 1.00 0.00 O ATOM 446 CB ARG A 35 10.090 -5.280 6.244 1.00 0.00 C ATOM 447 CG ARG A 35 11.612 -5.239 6.392 1.00 0.00 C ATOM 448 CD ARG A 35 12.171 -6.631 6.699 1.00 0.00 C ATOM 449 NE ARG A 35 13.508 -6.513 7.322 1.00 0.00 N ATOM 450 CZ ARG A 35 14.219 -7.554 7.778 1.00 0.00 C ATOM 451 NH1 ARG A 35 13.724 -8.795 7.683 1.00 0.00 N ATOM 452 NH2 ARG A 35 15.423 -7.353 8.329 1.00 0.00 N ATOM 0 H ARG A 35 8.986 -2.674 6.350 1.00 0.00 H new ATOM 0 HA ARG A 35 10.267 -4.374 4.307 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.622 -5.042 7.199 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.774 -6.288 5.977 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.060 -4.857 5.474 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.885 -4.549 7.191 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.495 -7.164 7.367 1.00 0.00 H new ATOM 0 HD3 ARG A 35 12.239 -7.215 5.781 1.00 0.00 H new ATOM 0 HE ARG A 35 13.914 -5.581 7.410 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.807 -8.947 7.264 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.264 -9.588 8.030 1.00 0.00 H new ATOM 0 HH21 ARG A 35 15.799 -6.408 8.402 1.00 0.00 H new ATOM 0 HH22 ARG A 35 15.964 -8.145 8.676 1.00 0.00 H new ATOM 466 N THR A 36 8.060 -5.631 3.915 1.00 0.00 N ATOM 467 CA THR A 36 6.754 -6.064 3.447 1.00 0.00 C ATOM 468 C THR A 36 5.955 -6.686 4.594 1.00 0.00 C ATOM 469 O THR A 36 4.752 -6.460 4.712 1.00 0.00 O ATOM 470 CB THR A 36 6.966 -7.016 2.268 1.00 0.00 C ATOM 471 OG1 THR A 36 8.076 -6.461 1.569 1.00 0.00 O ATOM 472 CG2 THR A 36 5.820 -6.958 1.255 1.00 0.00 C ATOM 0 H THR A 36 8.846 -6.153 3.528 1.00 0.00 H new ATOM 0 HA THR A 36 6.159 -5.220 3.099 1.00 0.00 H new ATOM 0 HB THR A 36 7.071 -8.036 2.639 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.283 -7.018 0.789 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.020 -7.652 0.439 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.887 -7.234 1.745 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.736 -5.946 0.858 1.00 0.00 H new ATOM 480 N LYS A 37 6.658 -7.456 5.412 1.00 0.00 N ATOM 481 CA LYS A 37 6.029 -8.112 6.546 1.00 0.00 C ATOM 482 C LYS A 37 5.464 -7.052 7.494 1.00 0.00 C ATOM 483 O LYS A 37 4.266 -7.036 7.770 1.00 0.00 O ATOM 484 CB LYS A 37 7.008 -9.078 7.217 1.00 0.00 C ATOM 485 CG LYS A 37 7.067 -10.409 6.465 1.00 0.00 C ATOM 486 CD LYS A 37 7.398 -11.561 7.415 1.00 0.00 C ATOM 487 CE LYS A 37 8.342 -12.566 6.751 1.00 0.00 C ATOM 488 NZ LYS A 37 7.634 -13.835 6.470 1.00 0.00 N ATOM 0 H LYS A 37 7.656 -7.640 5.312 1.00 0.00 H new ATOM 0 HA LYS A 37 5.190 -8.724 6.215 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.001 -8.630 7.250 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.703 -9.252 8.249 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.111 -10.598 5.978 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.820 -10.354 5.679 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.858 -11.168 8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.479 -12.064 7.716 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.734 -12.148 5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.196 -12.756 7.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.289 -14.506 6.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.282 -14.240 7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.833 -13.652 5.832 1.00 0.00 H new ATOM 502 N ASP A 38 6.355 -6.192 7.967 1.00 0.00 N ATOM 503 CA ASP A 38 5.960 -5.132 8.878 1.00 0.00 C ATOM 504 C ASP A 38 4.693 -4.457 8.350 1.00 0.00 C ATOM 505 O ASP A 38 3.744 -4.234 9.101 1.00 0.00 O ATOM 506 CB ASP A 38 7.052 -4.066 8.989 1.00 0.00 C ATOM 507 CG ASP A 38 8.344 -4.532 9.664 1.00 0.00 C ATOM 508 OD1 ASP A 38 8.369 -5.706 10.093 1.00 0.00 O ATOM 509 OD2 ASP A 38 9.278 -3.704 9.734 1.00 0.00 O ATOM 0 H ASP A 38 7.348 -6.208 7.736 1.00 0.00 H new ATOM 0 HA ASP A 38 5.789 -5.577 9.858 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.292 -3.707 7.988 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.655 -3.217 9.545 1.00 0.00 H new ATOM 514 N ILE A 39 4.718 -4.149 7.061 1.00 0.00 N ATOM 515 CA ILE A 39 3.583 -3.504 6.424 1.00 0.00 C ATOM 516 C ILE A 39 2.389 -4.461 6.428 1.00 0.00 C ATOM 517 O ILE A 39 1.242 -4.028 6.522 1.00 0.00 O ATOM 518 CB ILE A 39 3.965 -3.003 5.030 1.00 0.00 C ATOM 519 CG1 ILE A 39 5.111 -1.992 5.105 1.00 0.00 C ATOM 520 CG2 ILE A 39 2.747 -2.435 4.298 1.00 0.00 C ATOM 521 CD1 ILE A 39 5.723 -1.753 3.723 1.00 0.00 C ATOM 0 H ILE A 39 5.507 -4.334 6.441 1.00 0.00 H new ATOM 0 HA ILE A 39 3.284 -2.619 6.985 1.00 0.00 H new ATOM 0 HB ILE A 39 4.323 -3.853 4.449 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.743 -1.050 5.512 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.878 -2.356 5.788 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.047 -2.086 3.310 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.990 -3.212 4.194 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.336 -1.602 4.868 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.535 -1.031 3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.111 -2.692 3.330 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.959 -1.366 3.049 1.00 0.00 H new ATOM 533 N GLU A 40 2.700 -5.745 6.324 1.00 0.00 N ATOM 534 CA GLU A 40 1.668 -6.767 6.314 1.00 0.00 C ATOM 535 C GLU A 40 1.006 -6.866 7.690 1.00 0.00 C ATOM 536 O GLU A 40 -0.182 -6.580 7.834 1.00 0.00 O ATOM 537 CB GLU A 40 2.238 -8.119 5.882 1.00 0.00 C ATOM 538 CG GLU A 40 1.579 -9.264 6.652 1.00 0.00 C ATOM 539 CD GLU A 40 1.703 -10.583 5.887 1.00 0.00 C ATOM 540 OE1 GLU A 40 1.421 -10.561 4.669 1.00 0.00 O ATOM 541 OE2 GLU A 40 2.077 -11.583 6.536 1.00 0.00 O ATOM 0 H GLU A 40 3.653 -6.101 6.246 1.00 0.00 H new ATOM 0 HA GLU A 40 0.909 -6.481 5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.082 -8.258 4.812 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.315 -8.134 6.052 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.045 -9.363 7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.527 -9.035 6.821 1.00 0.00 H new ATOM 548 N ASP A 41 1.804 -7.272 8.667 1.00 0.00 N ATOM 549 CA ASP A 41 1.310 -7.413 10.027 1.00 0.00 C ATOM 550 C ASP A 41 0.601 -6.123 10.443 1.00 0.00 C ATOM 551 O ASP A 41 -0.329 -6.153 11.247 1.00 0.00 O ATOM 552 CB ASP A 41 2.459 -7.658 11.007 1.00 0.00 C ATOM 553 CG ASP A 41 2.100 -7.476 12.483 1.00 0.00 C ATOM 554 OD1 ASP A 41 0.918 -7.713 12.813 1.00 0.00 O ATOM 555 OD2 ASP A 41 3.016 -7.103 13.248 1.00 0.00 O ATOM 0 H ASP A 41 2.789 -7.508 8.544 1.00 0.00 H new ATOM 0 HA ASP A 41 0.627 -8.262 10.052 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.831 -8.672 10.861 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.277 -6.981 10.761 1.00 0.00 H new ATOM 560 N VAL A 42 1.068 -5.019 9.877 1.00 0.00 N ATOM 561 CA VAL A 42 0.489 -3.721 10.179 1.00 0.00 C ATOM 562 C VAL A 42 -1.005 -3.744 9.852 1.00 0.00 C ATOM 563 O VAL A 42 -1.841 -3.613 10.744 1.00 0.00 O ATOM 564 CB VAL A 42 1.248 -2.623 9.431 1.00 0.00 C ATOM 565 CG1 VAL A 42 0.351 -1.410 9.181 1.00 0.00 C ATOM 566 CG2 VAL A 42 2.517 -2.221 10.186 1.00 0.00 C ATOM 0 H VAL A 42 1.840 -4.997 9.211 1.00 0.00 H new ATOM 0 HA VAL A 42 0.585 -3.498 11.242 1.00 0.00 H new ATOM 0 HB VAL A 42 1.548 -3.023 8.462 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.915 -0.644 8.648 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.509 -1.711 8.582 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.007 -1.009 10.134 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.037 -1.439 9.633 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.249 -1.849 11.175 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.169 -3.088 10.289 1.00 0.00 H new ATOM 576 N PHE A 43 -1.295 -3.912 8.570 1.00 0.00 N ATOM 577 CA PHE A 43 -2.674 -3.954 8.114 1.00 0.00 C ATOM 578 C PHE A 43 -3.390 -5.197 8.647 1.00 0.00 C ATOM 579 O PHE A 43 -4.607 -5.189 8.824 1.00 0.00 O ATOM 580 CB PHE A 43 -2.638 -4.017 6.586 1.00 0.00 C ATOM 581 CG PHE A 43 -2.462 -2.655 5.911 1.00 0.00 C ATOM 582 CD1 PHE A 43 -1.237 -2.065 5.880 1.00 0.00 C ATOM 583 CD2 PHE A 43 -3.531 -2.035 5.344 1.00 0.00 C ATOM 584 CE1 PHE A 43 -1.075 -0.801 5.254 1.00 0.00 C ATOM 585 CE2 PHE A 43 -3.368 -0.771 4.717 1.00 0.00 C ATOM 586 CZ PHE A 43 -2.143 -0.180 4.686 1.00 0.00 C ATOM 0 H PHE A 43 -0.598 -4.021 7.833 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.211 -3.076 8.473 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.822 -4.671 6.279 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.563 -4.471 6.229 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.388 -2.557 6.331 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.504 -2.503 5.370 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.102 -0.332 5.229 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.217 -0.279 4.265 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.019 0.782 4.211 1.00 0.00 H new ATOM 596 N TYR A 44 -2.604 -6.236 8.887 1.00 0.00 N ATOM 597 CA TYR A 44 -3.147 -7.484 9.396 1.00 0.00 C ATOM 598 C TYR A 44 -3.988 -7.244 10.652 1.00 0.00 C ATOM 599 O TYR A 44 -4.810 -8.081 11.023 1.00 0.00 O ATOM 600 CB TYR A 44 -1.941 -8.351 9.763 1.00 0.00 C ATOM 601 CG TYR A 44 -2.224 -9.854 9.735 1.00 0.00 C ATOM 602 CD1 TYR A 44 -2.863 -10.456 10.801 1.00 0.00 C ATOM 603 CD2 TYR A 44 -1.841 -10.609 8.645 1.00 0.00 C ATOM 604 CE1 TYR A 44 -3.129 -11.871 10.775 1.00 0.00 C ATOM 605 CE2 TYR A 44 -2.107 -12.024 8.619 1.00 0.00 C ATOM 606 CZ TYR A 44 -2.738 -12.585 9.685 1.00 0.00 C ATOM 607 OH TYR A 44 -2.990 -13.921 9.661 1.00 0.00 O ATOM 0 H TYR A 44 -1.595 -6.239 8.738 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.789 -7.955 8.651 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.126 -8.132 9.073 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.598 -8.075 10.760 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.163 -9.866 11.654 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.342 -10.138 7.811 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.628 -12.354 11.602 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.812 -12.626 7.772 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.657 -14.302 8.822 1.00 0.00 H new ATOM 617 N LYS A 45 -3.755 -6.097 11.271 1.00 0.00 N ATOM 618 CA LYS A 45 -4.480 -5.736 12.477 1.00 0.00 C ATOM 619 C LYS A 45 -5.974 -5.643 12.160 1.00 0.00 C ATOM 620 O LYS A 45 -6.806 -5.634 13.066 1.00 0.00 O ATOM 621 CB LYS A 45 -3.901 -4.459 13.090 1.00 0.00 C ATOM 622 CG LYS A 45 -4.746 -3.239 12.715 1.00 0.00 C ATOM 623 CD LYS A 45 -5.890 -3.039 13.710 1.00 0.00 C ATOM 624 CE LYS A 45 -5.581 -1.895 14.678 1.00 0.00 C ATOM 625 NZ LYS A 45 -5.678 -2.361 16.079 1.00 0.00 N ATOM 0 H LYS A 45 -3.074 -5.405 10.960 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.362 -6.508 13.237 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.860 -4.558 14.175 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.877 -4.317 12.744 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.117 -2.349 12.694 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.151 -3.367 11.711 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.813 -2.825 13.171 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.055 -3.960 14.270 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.580 -1.508 14.486 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.277 -1.073 14.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.465 -1.572 16.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.641 -2.708 16.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.996 -3.130 16.237 1.00 0.00 H new ATOM 639 N TYR A 46 -6.269 -5.576 10.870 1.00 0.00 N ATOM 640 CA TYR A 46 -7.648 -5.483 10.422 1.00 0.00 C ATOM 641 C TYR A 46 -8.178 -6.853 9.992 1.00 0.00 C ATOM 642 O TYR A 46 -9.173 -7.335 10.532 1.00 0.00 O ATOM 643 CB TYR A 46 -7.636 -4.552 9.208 1.00 0.00 C ATOM 644 CG TYR A 46 -7.642 -3.064 9.566 1.00 0.00 C ATOM 645 CD1 TYR A 46 -8.840 -2.405 9.753 1.00 0.00 C ATOM 646 CD2 TYR A 46 -6.451 -2.382 9.702 1.00 0.00 C ATOM 647 CE1 TYR A 46 -8.847 -1.004 10.089 1.00 0.00 C ATOM 648 CE2 TYR A 46 -6.457 -0.982 10.038 1.00 0.00 C ATOM 649 CZ TYR A 46 -7.654 -0.362 10.216 1.00 0.00 C ATOM 650 OH TYR A 46 -7.660 0.960 10.534 1.00 0.00 O ATOM 0 H TYR A 46 -5.577 -5.584 10.121 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.288 -5.116 11.225 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.753 -4.767 8.607 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.505 -4.770 8.587 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.772 -2.940 9.647 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.514 -2.898 9.556 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.777 -0.476 10.237 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.531 -0.436 10.146 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.738 1.287 10.592 1.00 0.00 H new ATOM 660 N GLY A 47 -7.489 -7.442 9.026 1.00 0.00 N ATOM 661 CA GLY A 47 -7.878 -8.747 8.518 1.00 0.00 C ATOM 662 C GLY A 47 -6.653 -9.550 8.074 1.00 0.00 C ATOM 663 O GLY A 47 -5.707 -9.722 8.842 1.00 0.00 O ATOM 0 H GLY A 47 -6.664 -7.040 8.581 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.417 -9.296 9.290 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.562 -8.625 7.678 1.00 0.00 H new ATOM 667 N ALA A 48 -6.710 -10.019 6.837 1.00 0.00 N ATOM 668 CA ALA A 48 -5.617 -10.799 6.281 1.00 0.00 C ATOM 669 C ALA A 48 -5.155 -10.160 4.970 1.00 0.00 C ATOM 670 O ALA A 48 -5.857 -9.327 4.400 1.00 0.00 O ATOM 671 CB ALA A 48 -6.068 -12.250 6.096 1.00 0.00 C ATOM 0 H ALA A 48 -7.496 -9.874 6.203 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.766 -10.806 6.962 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.249 -12.835 5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.358 -12.667 7.061 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.920 -12.282 5.416 1.00 0.00 H new ATOM 677 N ILE A 49 -3.976 -10.575 4.531 1.00 0.00 N ATOM 678 CA ILE A 49 -3.411 -10.053 3.297 1.00 0.00 C ATOM 679 C ILE A 49 -3.225 -11.200 2.302 1.00 0.00 C ATOM 680 O ILE A 49 -2.789 -12.287 2.677 1.00 0.00 O ATOM 681 CB ILE A 49 -2.127 -9.273 3.584 1.00 0.00 C ATOM 682 CG1 ILE A 49 -2.415 -8.039 4.442 1.00 0.00 C ATOM 683 CG2 ILE A 49 -1.403 -8.911 2.285 1.00 0.00 C ATOM 684 CD1 ILE A 49 -1.154 -7.573 5.173 1.00 0.00 C ATOM 0 H ILE A 49 -3.396 -11.266 5.007 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.094 -9.339 2.837 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.459 -9.915 4.157 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.793 -7.234 3.812 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.196 -8.270 5.167 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.494 -8.357 2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.145 -9.823 1.746 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.054 -8.295 1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.386 -6.695 5.775 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.793 -8.372 5.820 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.384 -7.320 4.445 1.00 0.00 H new ATOM 696 N ARG A 50 -3.564 -10.918 1.053 1.00 0.00 N ATOM 697 CA ARG A 50 -3.439 -11.912 0.000 1.00 0.00 C ATOM 698 C ARG A 50 -2.021 -11.901 -0.575 1.00 0.00 C ATOM 699 O ARG A 50 -1.372 -12.942 -0.654 1.00 0.00 O ATOM 700 CB ARG A 50 -4.441 -11.651 -1.126 1.00 0.00 C ATOM 701 CG ARG A 50 -4.199 -12.595 -2.305 1.00 0.00 C ATOM 702 CD ARG A 50 -5.523 -13.070 -2.908 1.00 0.00 C ATOM 703 NE ARG A 50 -5.579 -14.548 -2.906 1.00 0.00 N ATOM 704 CZ ARG A 50 -4.979 -15.325 -3.819 1.00 0.00 C ATOM 705 NH1 ARG A 50 -4.274 -14.767 -4.813 1.00 0.00 N ATOM 706 NH2 ARG A 50 -5.083 -16.658 -3.738 1.00 0.00 N ATOM 0 H ARG A 50 -3.925 -10.015 0.746 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.649 -12.888 0.439 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.456 -11.783 -0.752 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.357 -10.617 -1.460 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.610 -12.086 -3.068 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.617 -13.455 -1.973 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.358 -12.666 -2.336 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.623 -12.696 -3.927 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.108 -15.005 -2.163 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.194 -13.752 -4.874 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.817 -15.357 -5.508 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.619 -17.083 -2.981 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.626 -17.248 -4.433 1.00 0.00 H new ATOM 720 N ASP A 51 -1.583 -10.712 -0.962 1.00 0.00 N ATOM 721 CA ASP A 51 -0.255 -10.551 -1.527 1.00 0.00 C ATOM 722 C ASP A 51 0.175 -9.088 -1.402 1.00 0.00 C ATOM 723 O ASP A 51 -0.666 -8.198 -1.295 1.00 0.00 O ATOM 724 CB ASP A 51 -0.239 -10.923 -3.011 1.00 0.00 C ATOM 725 CG ASP A 51 1.143 -11.247 -3.583 1.00 0.00 C ATOM 726 OD1 ASP A 51 1.544 -12.425 -3.465 1.00 0.00 O ATOM 727 OD2 ASP A 51 1.767 -10.309 -4.124 1.00 0.00 O ATOM 0 H ASP A 51 -2.125 -9.851 -0.895 1.00 0.00 H new ATOM 0 HA ASP A 51 0.424 -11.207 -0.983 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.889 -11.785 -3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.667 -10.099 -3.581 1.00 0.00 H new ATOM 732 N ILE A 52 1.485 -8.886 -1.419 1.00 0.00 N ATOM 733 CA ILE A 52 2.036 -7.546 -1.309 1.00 0.00 C ATOM 734 C ILE A 52 3.150 -7.371 -2.343 1.00 0.00 C ATOM 735 O ILE A 52 3.958 -8.276 -2.550 1.00 0.00 O ATOM 736 CB ILE A 52 2.481 -7.267 0.128 1.00 0.00 C ATOM 737 CG1 ILE A 52 1.302 -7.371 1.097 1.00 0.00 C ATOM 738 CG2 ILE A 52 3.189 -5.914 0.230 1.00 0.00 C ATOM 739 CD1 ILE A 52 1.790 -7.556 2.536 1.00 0.00 C ATOM 0 H ILE A 52 2.180 -9.627 -1.507 1.00 0.00 H new ATOM 0 HA ILE A 52 1.273 -6.800 -1.533 1.00 0.00 H new ATOM 0 HB ILE A 52 3.203 -8.031 0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.690 -6.471 1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.667 -8.210 0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.495 -5.740 1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.068 -5.914 -0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.509 -5.123 -0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.932 -7.627 3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.381 -8.469 2.605 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.405 -6.703 2.824 1.00 0.00 H new ATOM 751 N ASP A 53 3.158 -6.202 -2.965 1.00 0.00 N ATOM 752 CA ASP A 53 4.160 -5.897 -3.972 1.00 0.00 C ATOM 753 C ASP A 53 4.851 -4.579 -3.615 1.00 0.00 C ATOM 754 O ASP A 53 4.215 -3.526 -3.593 1.00 0.00 O ATOM 755 CB ASP A 53 3.522 -5.737 -5.353 1.00 0.00 C ATOM 756 CG ASP A 53 4.350 -6.287 -6.516 1.00 0.00 C ATOM 757 OD1 ASP A 53 5.551 -6.544 -6.286 1.00 0.00 O ATOM 758 OD2 ASP A 53 3.763 -6.438 -7.609 1.00 0.00 O ATOM 0 H ASP A 53 2.486 -5.454 -2.791 1.00 0.00 H new ATOM 0 HA ASP A 53 4.874 -6.720 -3.998 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.553 -6.236 -5.349 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.334 -4.678 -5.529 1.00 0.00 H new ATOM 763 N LEU A 54 6.144 -4.680 -3.346 1.00 0.00 N ATOM 764 CA LEU A 54 6.929 -3.509 -2.991 1.00 0.00 C ATOM 765 C LEU A 54 7.988 -3.266 -4.067 1.00 0.00 C ATOM 766 O LEU A 54 8.797 -4.146 -4.358 1.00 0.00 O ATOM 767 CB LEU A 54 7.506 -3.658 -1.582 1.00 0.00 C ATOM 768 CG LEU A 54 8.662 -2.719 -1.228 1.00 0.00 C ATOM 769 CD1 LEU A 54 8.187 -1.584 -0.319 1.00 0.00 C ATOM 770 CD2 LEU A 54 9.830 -3.495 -0.616 1.00 0.00 C ATOM 0 H LEU A 54 6.668 -5.555 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 54 6.297 -2.621 -2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.702 -3.500 -0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.847 -4.686 -1.457 1.00 0.00 H new ATOM 0 HG LEU A 54 9.027 -2.262 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.027 -0.931 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.413 -1.009 -0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.781 -2.001 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.638 -2.805 -0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.497 -3.997 0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.188 -4.236 -1.330 1.00 0.00 H new ATOM 782 N LYS A 55 7.950 -2.066 -4.629 1.00 0.00 N ATOM 783 CA LYS A 55 8.897 -1.696 -5.667 1.00 0.00 C ATOM 784 C LYS A 55 10.179 -1.169 -5.017 1.00 0.00 C ATOM 785 O LYS A 55 10.331 0.035 -4.822 1.00 0.00 O ATOM 786 CB LYS A 55 8.258 -0.713 -6.650 1.00 0.00 C ATOM 787 CG LYS A 55 7.175 -1.399 -7.485 1.00 0.00 C ATOM 788 CD LYS A 55 5.838 -1.415 -6.743 1.00 0.00 C ATOM 789 CE LYS A 55 4.665 -1.430 -7.725 1.00 0.00 C ATOM 790 NZ LYS A 55 3.645 -0.434 -7.331 1.00 0.00 N ATOM 0 H LYS A 55 7.278 -1.338 -4.385 1.00 0.00 H new ATOM 0 HA LYS A 55 9.174 -2.569 -6.259 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.825 0.124 -6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.024 -0.302 -7.308 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.061 -0.879 -8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.480 -2.420 -7.714 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.787 -2.292 -6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.766 -0.539 -6.098 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.023 -1.213 -8.731 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.219 -2.424 -7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.722 -0.903 -7.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.914 -0.002 -6.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.581 0.305 -8.060 1.00 0.00 H new ATOM 880 N PRO A 61 10.541 7.870 -2.589 1.00 0.00 N ATOM 881 CA PRO A 61 10.214 7.037 -1.445 1.00 0.00 C ATOM 882 C PRO A 61 9.760 5.646 -1.891 1.00 0.00 C ATOM 883 O PRO A 61 9.269 5.477 -3.006 1.00 0.00 O ATOM 884 CB PRO A 61 9.135 7.803 -0.697 1.00 0.00 C ATOM 885 CG PRO A 61 8.569 8.804 -1.691 1.00 0.00 C ATOM 886 CD PRO A 61 9.522 8.876 -2.873 1.00 0.00 C ATOM 0 HA PRO A 61 11.073 6.852 -0.800 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.358 7.130 -0.335 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.549 8.310 0.175 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.576 8.496 -2.019 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.462 9.784 -1.227 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.007 8.665 -3.810 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.961 9.869 -2.968 1.00 0.00 H new ATOM 894 N PRO A 62 9.944 4.659 -0.973 1.00 0.00 N ATOM 895 CA PRO A 62 9.559 3.288 -1.261 1.00 0.00 C ATOM 896 C PRO A 62 8.040 3.119 -1.188 1.00 0.00 C ATOM 897 O PRO A 62 7.405 3.580 -0.242 1.00 0.00 O ATOM 898 CB PRO A 62 10.300 2.448 -0.234 1.00 0.00 C ATOM 899 CG PRO A 62 10.702 3.405 0.876 1.00 0.00 C ATOM 900 CD PRO A 62 10.522 4.822 0.358 1.00 0.00 C ATOM 0 HA PRO A 62 9.823 2.980 -2.273 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.664 1.650 0.150 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.176 1.973 -0.676 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.088 3.242 1.762 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.738 3.235 1.170 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.865 5.400 1.007 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.474 5.352 0.314 1.00 0.00 H new ATOM 908 N PHE A 63 7.502 2.455 -2.201 1.00 0.00 N ATOM 909 CA PHE A 63 6.069 2.219 -2.264 1.00 0.00 C ATOM 910 C PHE A 63 5.768 0.744 -2.538 1.00 0.00 C ATOM 911 O PHE A 63 6.592 0.035 -3.114 1.00 0.00 O ATOM 912 CB PHE A 63 5.528 3.061 -3.421 1.00 0.00 C ATOM 913 CG PHE A 63 6.247 2.827 -4.751 1.00 0.00 C ATOM 914 CD1 PHE A 63 7.463 3.394 -4.976 1.00 0.00 C ATOM 915 CD2 PHE A 63 5.672 2.051 -5.708 1.00 0.00 C ATOM 916 CE1 PHE A 63 8.130 3.177 -6.210 1.00 0.00 C ATOM 917 CE2 PHE A 63 6.339 1.834 -6.943 1.00 0.00 C ATOM 918 CZ PHE A 63 7.555 2.401 -7.168 1.00 0.00 C ATOM 0 H PHE A 63 8.032 2.073 -2.984 1.00 0.00 H new ATOM 0 HA PHE A 63 5.605 2.486 -1.314 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.468 2.844 -3.550 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.608 4.116 -3.157 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.921 4.009 -4.216 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.707 1.599 -5.529 1.00 0.00 H new ATOM 0 HE1 PHE A 63 9.095 3.628 -6.389 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.881 1.219 -7.703 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.063 2.235 -8.106 1.00 0.00 H new ATOM 928 N ALA A 64 4.586 0.325 -2.112 1.00 0.00 N ATOM 929 CA ALA A 64 4.166 -1.052 -2.304 1.00 0.00 C ATOM 930 C ALA A 64 2.637 -1.120 -2.304 1.00 0.00 C ATOM 931 O ALA A 64 1.970 -0.158 -1.927 1.00 0.00 O ATOM 932 CB ALA A 64 4.787 -1.932 -1.217 1.00 0.00 C ATOM 0 H ALA A 64 3.905 0.916 -1.634 1.00 0.00 H new ATOM 0 HA ALA A 64 4.513 -1.427 -3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.472 -2.965 -1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.874 -1.872 -1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.459 -1.586 -0.237 1.00 0.00 H new ATOM 938 N PHE A 65 2.127 -2.265 -2.732 1.00 0.00 N ATOM 939 CA PHE A 65 0.690 -2.471 -2.787 1.00 0.00 C ATOM 940 C PHE A 65 0.272 -3.654 -1.913 1.00 0.00 C ATOM 941 O PHE A 65 1.028 -4.612 -1.755 1.00 0.00 O ATOM 942 CB PHE A 65 0.337 -2.778 -4.244 1.00 0.00 C ATOM 943 CG PHE A 65 0.030 -1.537 -5.085 1.00 0.00 C ATOM 944 CD1 PHE A 65 -1.233 -1.036 -5.121 1.00 0.00 C ATOM 945 CD2 PHE A 65 1.021 -0.935 -5.796 1.00 0.00 C ATOM 946 CE1 PHE A 65 -1.518 0.116 -5.902 1.00 0.00 C ATOM 947 CE2 PHE A 65 0.736 0.216 -6.576 1.00 0.00 C ATOM 948 CZ PHE A 65 -0.527 0.717 -6.613 1.00 0.00 C ATOM 0 H PHE A 65 2.684 -3.061 -3.044 1.00 0.00 H new ATOM 0 HA PHE A 65 0.173 -1.584 -2.422 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.166 -3.319 -4.702 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.527 -3.442 -4.266 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.020 -1.514 -4.556 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.025 -1.333 -5.767 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.521 0.514 -5.931 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.523 0.694 -7.140 1.00 0.00 H new ATOM 0 HZ PHE A 65 -0.743 1.593 -7.207 1.00 0.00 H new ATOM 958 N VAL A 66 -0.932 -3.551 -1.368 1.00 0.00 N ATOM 959 CA VAL A 66 -1.460 -4.601 -0.514 1.00 0.00 C ATOM 960 C VAL A 66 -2.840 -5.021 -1.024 1.00 0.00 C ATOM 961 O VAL A 66 -3.721 -4.182 -1.204 1.00 0.00 O ATOM 962 CB VAL A 66 -1.478 -4.131 0.942 1.00 0.00 C ATOM 963 CG1 VAL A 66 -1.697 -5.308 1.895 1.00 0.00 C ATOM 964 CG2 VAL A 66 -0.195 -3.375 1.290 1.00 0.00 C ATOM 0 H VAL A 66 -1.557 -2.756 -1.502 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.819 -5.482 -0.549 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.315 -3.443 1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.706 -4.947 2.923 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.651 -5.786 1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.891 -6.031 1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.234 -3.052 2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.664 -4.030 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.100 -2.503 0.643 1.00 0.00 H new ATOM 974 N GLU A 67 -2.984 -6.320 -1.243 1.00 0.00 N ATOM 975 CA GLU A 67 -4.242 -6.862 -1.729 1.00 0.00 C ATOM 976 C GLU A 67 -4.964 -7.613 -0.608 1.00 0.00 C ATOM 977 O GLU A 67 -4.491 -8.651 -0.147 1.00 0.00 O ATOM 978 CB GLU A 67 -4.017 -7.768 -2.940 1.00 0.00 C ATOM 979 CG GLU A 67 -5.271 -7.838 -3.814 1.00 0.00 C ATOM 980 CD GLU A 67 -4.937 -7.543 -5.277 1.00 0.00 C ATOM 981 OE1 GLU A 67 -4.031 -6.711 -5.496 1.00 0.00 O ATOM 982 OE2 GLU A 67 -5.596 -8.157 -6.144 1.00 0.00 O ATOM 0 H GLU A 67 -2.251 -7.013 -1.093 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.873 -6.033 -2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.180 -7.393 -3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.747 -8.769 -2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.721 -8.828 -3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.010 -7.122 -3.454 1.00 0.00 H new ATOM 989 N PHE A 68 -6.098 -7.060 -0.203 1.00 0.00 N ATOM 990 CA PHE A 68 -6.890 -7.665 0.854 1.00 0.00 C ATOM 991 C PHE A 68 -7.817 -8.745 0.295 1.00 0.00 C ATOM 992 O PHE A 68 -8.080 -8.782 -0.906 1.00 0.00 O ATOM 993 CB PHE A 68 -7.738 -6.550 1.470 1.00 0.00 C ATOM 994 CG PHE A 68 -7.103 -5.891 2.696 1.00 0.00 C ATOM 995 CD1 PHE A 68 -7.247 -6.456 3.924 1.00 0.00 C ATOM 996 CD2 PHE A 68 -6.394 -4.738 2.557 1.00 0.00 C ATOM 997 CE1 PHE A 68 -6.658 -5.844 5.062 1.00 0.00 C ATOM 998 CE2 PHE A 68 -5.805 -4.126 3.695 1.00 0.00 C ATOM 999 CZ PHE A 68 -5.949 -4.692 4.923 1.00 0.00 C ATOM 0 H PHE A 68 -6.487 -6.199 -0.588 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.235 -8.132 1.589 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.921 -5.787 0.714 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.708 -6.959 1.752 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.810 -7.371 4.034 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.279 -4.289 1.582 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.773 -6.293 6.037 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.242 -3.211 3.585 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.500 -4.227 5.788 1.00 0.00 H new ATOM 1009 N GLU A 69 -8.287 -9.599 1.192 1.00 0.00 N ATOM 1010 CA GLU A 69 -9.179 -10.678 0.803 1.00 0.00 C ATOM 1011 C GLU A 69 -10.577 -10.130 0.508 1.00 0.00 C ATOM 1012 O GLU A 69 -11.219 -10.544 -0.456 1.00 0.00 O ATOM 1013 CB GLU A 69 -9.232 -11.762 1.882 1.00 0.00 C ATOM 1014 CG GLU A 69 -8.008 -12.676 1.800 1.00 0.00 C ATOM 1015 CD GLU A 69 -8.095 -13.602 0.584 1.00 0.00 C ATOM 1016 OE1 GLU A 69 -7.643 -13.164 -0.496 1.00 0.00 O ATOM 1017 OE2 GLU A 69 -8.611 -14.726 0.763 1.00 0.00 O ATOM 0 H GLU A 69 -8.067 -9.566 2.187 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.789 -11.135 -0.106 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.279 -11.298 2.867 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.140 -12.353 1.765 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.103 -12.072 1.738 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.932 -13.271 2.710 1.00 0.00 H new ATOM 1024 N ASP A 70 -11.007 -9.207 1.356 1.00 0.00 N ATOM 1025 CA ASP A 70 -12.317 -8.598 1.198 1.00 0.00 C ATOM 1026 C ASP A 70 -12.155 -7.087 1.023 1.00 0.00 C ATOM 1027 O ASP A 70 -11.171 -6.508 1.481 1.00 0.00 O ATOM 1028 CB ASP A 70 -13.189 -8.840 2.432 1.00 0.00 C ATOM 1029 CG ASP A 70 -13.133 -10.262 2.995 1.00 0.00 C ATOM 1030 OD1 ASP A 70 -12.996 -11.193 2.172 1.00 0.00 O ATOM 1031 OD2 ASP A 70 -13.229 -10.385 4.235 1.00 0.00 O ATOM 0 H ASP A 70 -10.472 -8.866 2.154 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.794 -9.045 0.326 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.887 -8.144 3.214 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.223 -8.606 2.179 1.00 0.00 H new ATOM 1036 N PRO A 71 -13.160 -6.476 0.340 1.00 0.00 N ATOM 1037 CA PRO A 71 -13.138 -5.044 0.099 1.00 0.00 C ATOM 1038 C PRO A 71 -13.484 -4.268 1.371 1.00 0.00 C ATOM 1039 O PRO A 71 -12.841 -3.268 1.687 1.00 0.00 O ATOM 1040 CB PRO A 71 -14.138 -4.819 -1.024 1.00 0.00 C ATOM 1041 CG PRO A 71 -15.019 -6.057 -1.052 1.00 0.00 C ATOM 1042 CD PRO A 71 -14.340 -7.131 -0.217 1.00 0.00 C ATOM 0 HA PRO A 71 -12.150 -4.681 -0.185 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.731 -3.922 -0.845 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.629 -4.680 -1.978 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -16.008 -5.831 -0.653 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -15.160 -6.402 -2.076 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -14.999 -7.496 0.571 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -14.065 -7.992 -0.827 1.00 0.00 H new ATOM 1050 N ARG A 72 -14.498 -4.758 2.068 1.00 0.00 N ATOM 1051 CA ARG A 72 -14.937 -4.123 3.299 1.00 0.00 C ATOM 1052 C ARG A 72 -13.729 -3.695 4.135 1.00 0.00 C ATOM 1053 O ARG A 72 -13.694 -2.581 4.656 1.00 0.00 O ATOM 1054 CB ARG A 72 -15.811 -5.069 4.126 1.00 0.00 C ATOM 1055 CG ARG A 72 -17.126 -5.370 3.405 1.00 0.00 C ATOM 1056 CD ARG A 72 -18.191 -5.859 4.389 1.00 0.00 C ATOM 1057 NE ARG A 72 -19.376 -6.350 3.650 1.00 0.00 N ATOM 1058 CZ ARG A 72 -20.448 -6.903 4.233 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -20.491 -7.039 5.565 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -21.477 -7.321 3.483 1.00 0.00 N ATOM 0 H ARG A 72 -15.029 -5.588 1.804 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.526 -3.246 3.028 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.273 -5.998 4.312 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.019 -4.622 5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.480 -4.473 2.897 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.960 -6.126 2.638 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -17.784 -6.656 5.011 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.480 -5.048 5.058 1.00 0.00 H new ATOM 0 HE ARG A 72 -19.376 -6.262 2.634 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.707 -6.721 6.136 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -21.307 -7.460 6.009 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -21.444 -7.218 2.469 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -22.293 -7.742 3.926 1.00 0.00 H new ATOM 1074 N ASP A 73 -12.769 -4.602 4.237 1.00 0.00 N ATOM 1075 CA ASP A 73 -11.562 -4.332 5.001 1.00 0.00 C ATOM 1076 C ASP A 73 -10.618 -3.465 4.165 1.00 0.00 C ATOM 1077 O ASP A 73 -10.165 -2.417 4.622 1.00 0.00 O ATOM 1078 CB ASP A 73 -10.829 -5.629 5.350 1.00 0.00 C ATOM 1079 CG ASP A 73 -11.299 -6.311 6.636 1.00 0.00 C ATOM 1080 OD1 ASP A 73 -12.293 -7.064 6.549 1.00 0.00 O ATOM 1081 OD2 ASP A 73 -10.652 -6.065 7.677 1.00 0.00 O ATOM 0 H ASP A 73 -12.802 -5.525 3.804 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.852 -3.823 5.921 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.945 -6.328 4.522 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.764 -5.414 5.439 1.00 0.00 H new ATOM 1086 N ALA A 74 -10.350 -3.934 2.956 1.00 0.00 N ATOM 1087 CA ALA A 74 -9.468 -3.215 2.052 1.00 0.00 C ATOM 1088 C ALA A 74 -9.755 -1.716 2.153 1.00 0.00 C ATOM 1089 O ALA A 74 -8.836 -0.899 2.095 1.00 0.00 O ATOM 1090 CB ALA A 74 -9.649 -3.749 0.630 1.00 0.00 C ATOM 0 H ALA A 74 -10.728 -4.804 2.581 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.425 -3.371 2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.988 -3.210 -0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.405 -4.811 0.606 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.683 -3.607 0.317 1.00 0.00 H new ATOM 1096 N GLU A 75 -11.032 -1.398 2.303 1.00 0.00 N ATOM 1097 CA GLU A 75 -11.451 -0.011 2.413 1.00 0.00 C ATOM 1098 C GLU A 75 -11.110 0.538 3.800 1.00 0.00 C ATOM 1099 O GLU A 75 -10.234 1.390 3.936 1.00 0.00 O ATOM 1100 CB GLU A 75 -12.945 0.136 2.117 1.00 0.00 C ATOM 1101 CG GLU A 75 -13.287 -0.420 0.733 1.00 0.00 C ATOM 1102 CD GLU A 75 -13.950 0.649 -0.138 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -13.632 1.837 0.081 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -14.759 0.252 -1.004 1.00 0.00 O ATOM 0 H GLU A 75 -11.791 -2.078 2.351 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.908 0.572 1.669 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -13.523 -0.389 2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.228 1.187 2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.380 -0.779 0.247 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -13.954 -1.276 0.836 1.00 0.00 H new ATOM 1111 N ASP A 76 -11.821 0.026 4.795 1.00 0.00 N ATOM 1112 CA ASP A 76 -11.605 0.455 6.166 1.00 0.00 C ATOM 1113 C ASP A 76 -10.104 0.623 6.413 1.00 0.00 C ATOM 1114 O ASP A 76 -9.691 1.499 7.172 1.00 0.00 O ATOM 1115 CB ASP A 76 -12.134 -0.584 7.158 1.00 0.00 C ATOM 1116 CG ASP A 76 -13.619 -0.454 7.499 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -14.020 0.670 7.873 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -14.321 -1.481 7.378 1.00 0.00 O ATOM 0 H ASP A 76 -12.547 -0.681 4.678 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.135 1.396 6.312 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.956 -1.579 6.749 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.557 -0.511 8.080 1.00 0.00 H new ATOM 1123 N ALA A 77 -9.330 -0.230 5.758 1.00 0.00 N ATOM 1124 CA ALA A 77 -7.884 -0.187 5.897 1.00 0.00 C ATOM 1125 C ALA A 77 -7.345 1.055 5.185 1.00 0.00 C ATOM 1126 O ALA A 77 -6.719 1.910 5.810 1.00 0.00 O ATOM 1127 CB ALA A 77 -7.280 -1.482 5.350 1.00 0.00 C ATOM 0 H ALA A 77 -9.677 -0.955 5.130 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.601 -0.114 6.947 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.195 -1.450 5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.673 -2.331 5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.540 -1.589 4.297 1.00 0.00 H new ATOM 1133 N VAL A 78 -7.607 1.114 3.888 1.00 0.00 N ATOM 1134 CA VAL A 78 -7.155 2.237 3.084 1.00 0.00 C ATOM 1135 C VAL A 78 -7.691 3.538 3.686 1.00 0.00 C ATOM 1136 O VAL A 78 -7.067 4.590 3.554 1.00 0.00 O ATOM 1137 CB VAL A 78 -7.571 2.038 1.625 1.00 0.00 C ATOM 1138 CG1 VAL A 78 -8.957 2.631 1.364 1.00 0.00 C ATOM 1139 CG2 VAL A 78 -6.532 2.632 0.672 1.00 0.00 C ATOM 0 H VAL A 78 -8.126 0.403 3.374 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.067 2.299 3.092 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.624 0.966 1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.228 2.476 0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.689 2.141 2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.942 3.699 1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.852 2.477 -0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.431 3.700 0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.571 2.143 0.831 1.00 0.00 H new ATOM 1149 N TYR A 79 -8.841 3.423 4.333 1.00 0.00 N ATOM 1150 CA TYR A 79 -9.468 4.577 4.956 1.00 0.00 C ATOM 1151 C TYR A 79 -8.924 4.801 6.368 1.00 0.00 C ATOM 1152 O TYR A 79 -8.885 5.932 6.850 1.00 0.00 O ATOM 1153 CB TYR A 79 -10.960 4.251 5.042 1.00 0.00 C ATOM 1154 CG TYR A 79 -11.797 4.861 3.916 1.00 0.00 C ATOM 1155 CD1 TYR A 79 -11.915 4.202 2.709 1.00 0.00 C ATOM 1156 CD2 TYR A 79 -12.433 6.071 4.107 1.00 0.00 C ATOM 1157 CE1 TYR A 79 -12.702 4.776 1.649 1.00 0.00 C ATOM 1158 CE2 TYR A 79 -13.221 6.645 3.046 1.00 0.00 C ATOM 1159 CZ TYR A 79 -13.316 5.969 1.870 1.00 0.00 C ATOM 1160 OH TYR A 79 -14.060 6.511 0.869 1.00 0.00 O ATOM 0 H TYR A 79 -9.355 2.549 4.440 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.270 5.480 4.378 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.086 3.168 5.029 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.344 4.605 5.999 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -11.417 3.255 2.560 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.340 6.587 5.051 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.802 4.271 0.700 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -13.725 7.591 3.182 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.440 7.363 1.169 1.00 0.00 H new ATOM 1170 N GLY A 80 -8.517 3.705 6.992 1.00 0.00 N ATOM 1171 CA GLY A 80 -7.977 3.767 8.339 1.00 0.00 C ATOM 1172 C GLY A 80 -6.496 4.151 8.319 1.00 0.00 C ATOM 1173 O GLY A 80 -6.145 5.299 8.587 1.00 0.00 O ATOM 0 H GLY A 80 -8.551 2.769 6.589 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.537 4.495 8.926 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.099 2.801 8.828 1.00 0.00 H new ATOM 1177 N ARG A 81 -5.667 3.168 7.999 1.00 0.00 N ATOM 1178 CA ARG A 81 -4.232 3.388 7.940 1.00 0.00 C ATOM 1179 C ARG A 81 -3.930 4.762 7.338 1.00 0.00 C ATOM 1180 O ARG A 81 -3.033 5.464 7.803 1.00 0.00 O ATOM 1181 CB ARG A 81 -3.543 2.309 7.103 1.00 0.00 C ATOM 1182 CG ARG A 81 -3.464 0.987 7.869 1.00 0.00 C ATOM 1183 CD ARG A 81 -2.426 1.065 8.991 1.00 0.00 C ATOM 1184 NE ARG A 81 -2.529 -0.129 9.859 1.00 0.00 N ATOM 1185 CZ ARG A 81 -2.126 -0.165 11.137 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -1.590 0.925 11.702 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -2.259 -1.292 11.849 1.00 0.00 N ATOM 0 H ARG A 81 -5.962 2.217 7.778 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.847 3.342 8.959 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.090 2.162 6.172 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.539 2.638 6.834 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.441 0.747 8.288 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.204 0.180 7.184 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.424 1.131 8.567 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.583 1.968 9.581 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.932 -0.977 9.460 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.488 1.783 11.160 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.284 0.897 12.674 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.667 -2.122 11.419 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.953 -1.320 12.821 1.00 0.00 H new ATOM 1201 N ASP A 82 -4.696 5.105 6.313 1.00 0.00 N ATOM 1202 CA ASP A 82 -4.522 6.382 5.643 1.00 0.00 C ATOM 1203 C ASP A 82 -4.238 7.466 6.685 1.00 0.00 C ATOM 1204 O ASP A 82 -5.160 7.984 7.314 1.00 0.00 O ATOM 1205 CB ASP A 82 -5.786 6.780 4.879 1.00 0.00 C ATOM 1206 CG ASP A 82 -5.985 8.286 4.699 1.00 0.00 C ATOM 1207 OD1 ASP A 82 -4.968 8.967 4.444 1.00 0.00 O ATOM 1208 OD2 ASP A 82 -7.150 8.723 4.819 1.00 0.00 O ATOM 0 H ASP A 82 -5.439 4.520 5.930 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.693 6.284 4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.760 6.312 3.895 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.652 6.374 5.402 1.00 0.00 H new ATOM 1213 N GLY A 83 -2.959 7.777 6.836 1.00 0.00 N ATOM 1214 CA GLY A 83 -2.543 8.790 7.792 1.00 0.00 C ATOM 1215 C GLY A 83 -2.016 8.147 9.077 1.00 0.00 C ATOM 1216 O GLY A 83 -2.286 8.634 10.174 1.00 0.00 O ATOM 0 H GLY A 83 -2.197 7.346 6.313 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.768 9.416 7.350 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.385 9.442 8.026 1.00 0.00 H new ATOM 1220 N TYR A 84 -1.273 7.065 8.897 1.00 0.00 N ATOM 1221 CA TYR A 84 -0.706 6.351 10.029 1.00 0.00 C ATOM 1222 C TYR A 84 0.702 6.859 10.347 1.00 0.00 C ATOM 1223 O TYR A 84 1.404 7.349 9.463 1.00 0.00 O ATOM 1224 CB TYR A 84 -0.622 4.884 9.603 1.00 0.00 C ATOM 1225 CG TYR A 84 -0.014 3.963 10.662 1.00 0.00 C ATOM 1226 CD1 TYR A 84 -0.651 3.789 11.874 1.00 0.00 C ATOM 1227 CD2 TYR A 84 1.172 3.305 10.405 1.00 0.00 C ATOM 1228 CE1 TYR A 84 -0.078 2.922 12.871 1.00 0.00 C ATOM 1229 CE2 TYR A 84 1.744 2.437 11.402 1.00 0.00 C ATOM 1230 CZ TYR A 84 1.091 2.289 12.586 1.00 0.00 C ATOM 1231 OH TYR A 84 1.632 1.469 13.527 1.00 0.00 O ATOM 0 H TYR A 84 -1.050 6.665 7.985 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.319 6.493 10.919 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.623 4.529 9.359 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.028 4.814 8.691 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.579 4.303 12.075 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.671 3.441 9.457 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.566 2.778 13.824 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.671 1.915 11.214 1.00 0.00 H new ATOM 0 HH TYR A 84 2.466 1.084 13.185 1.00 0.00 H new ATOM 1241 N ASP A 85 1.074 6.724 11.611 1.00 0.00 N ATOM 1242 CA ASP A 85 2.385 7.163 12.057 1.00 0.00 C ATOM 1243 C ASP A 85 3.255 5.939 12.351 1.00 0.00 C ATOM 1244 O ASP A 85 3.089 5.288 13.382 1.00 0.00 O ATOM 1245 CB ASP A 85 2.283 7.990 13.340 1.00 0.00 C ATOM 1246 CG ASP A 85 3.623 8.431 13.933 1.00 0.00 C ATOM 1247 OD1 ASP A 85 4.651 8.165 13.274 1.00 0.00 O ATOM 1248 OD2 ASP A 85 3.588 9.025 15.033 1.00 0.00 O ATOM 0 H ASP A 85 0.490 6.316 12.341 1.00 0.00 H new ATOM 0 HA ASP A 85 2.822 7.775 11.268 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.683 8.877 13.136 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.746 7.407 14.088 1.00 0.00 H new ATOM 1253 N TYR A 86 4.164 5.662 11.427 1.00 0.00 N ATOM 1254 CA TYR A 86 5.060 4.528 11.575 1.00 0.00 C ATOM 1255 C TYR A 86 6.433 4.976 12.080 1.00 0.00 C ATOM 1256 O TYR A 86 7.277 5.406 11.295 1.00 0.00 O ATOM 1257 CB TYR A 86 5.215 3.929 10.176 1.00 0.00 C ATOM 1258 CG TYR A 86 5.931 2.577 10.154 1.00 0.00 C ATOM 1259 CD1 TYR A 86 7.304 2.520 10.284 1.00 0.00 C ATOM 1260 CD2 TYR A 86 5.204 1.413 10.004 1.00 0.00 C ATOM 1261 CE1 TYR A 86 7.978 1.248 10.264 1.00 0.00 C ATOM 1262 CE2 TYR A 86 5.878 0.141 9.983 1.00 0.00 C ATOM 1263 CZ TYR A 86 7.231 0.121 10.114 1.00 0.00 C ATOM 1264 OH TYR A 86 7.867 -1.081 10.095 1.00 0.00 O ATOM 0 H TYR A 86 4.299 6.204 10.573 1.00 0.00 H new ATOM 0 HA TYR A 86 4.660 3.814 12.294 1.00 0.00 H new ATOM 0 HB2 TYR A 86 4.227 3.813 9.730 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.766 4.631 9.550 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.873 3.430 10.401 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.130 1.457 9.902 1.00 0.00 H new ATOM 0 HE1 TYR A 86 9.052 1.190 10.366 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.321 -0.777 9.866 1.00 0.00 H new ATOM 0 HH TYR A 86 7.537 -1.638 10.831 1.00 0.00 H new ATOM 1274 N ASP A 87 6.614 4.859 13.387 1.00 0.00 N ATOM 1275 CA ASP A 87 7.870 5.247 14.006 1.00 0.00 C ATOM 1276 C ASP A 87 8.150 6.720 13.703 1.00 0.00 C ATOM 1277 O ASP A 87 9.302 7.150 13.704 1.00 0.00 O ATOM 1278 CB ASP A 87 9.034 4.421 13.455 1.00 0.00 C ATOM 1279 CG ASP A 87 10.246 4.313 14.382 1.00 0.00 C ATOM 1280 OD1 ASP A 87 10.018 4.093 15.591 1.00 0.00 O ATOM 1281 OD2 ASP A 87 11.373 4.453 13.860 1.00 0.00 O ATOM 0 H ASP A 87 5.912 4.501 14.035 1.00 0.00 H new ATOM 0 HA ASP A 87 7.783 5.077 15.079 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.674 3.416 13.234 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.356 4.859 12.510 1.00 0.00 H new ATOM 1286 N GLY A 88 7.076 7.454 13.450 1.00 0.00 N ATOM 1287 CA GLY A 88 7.191 8.870 13.146 1.00 0.00 C ATOM 1288 C GLY A 88 6.951 9.132 11.658 1.00 0.00 C ATOM 1289 O GLY A 88 6.501 10.213 11.279 1.00 0.00 O ATOM 0 H GLY A 88 6.122 7.094 13.449 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.470 9.433 13.739 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.182 9.227 13.427 1.00 0.00 H new ATOM 1293 N TYR A 89 7.260 8.125 10.854 1.00 0.00 N ATOM 1294 CA TYR A 89 7.083 8.233 9.416 1.00 0.00 C ATOM 1295 C TYR A 89 5.609 8.091 9.033 1.00 0.00 C ATOM 1296 O TYR A 89 5.043 7.003 9.121 1.00 0.00 O ATOM 1297 CB TYR A 89 7.870 7.072 8.806 1.00 0.00 C ATOM 1298 CG TYR A 89 9.383 7.165 9.019 1.00 0.00 C ATOM 1299 CD1 TYR A 89 9.956 6.611 10.146 1.00 0.00 C ATOM 1300 CD2 TYR A 89 10.173 7.801 8.085 1.00 0.00 C ATOM 1301 CE1 TYR A 89 11.379 6.699 10.347 1.00 0.00 C ATOM 1302 CE2 TYR A 89 11.597 7.889 8.285 1.00 0.00 C ATOM 1303 CZ TYR A 89 12.129 7.333 9.406 1.00 0.00 C ATOM 1304 OH TYR A 89 13.474 7.416 9.596 1.00 0.00 O ATOM 0 H TYR A 89 7.632 7.230 11.172 1.00 0.00 H new ATOM 0 HA TYR A 89 7.426 9.204 9.059 1.00 0.00 H new ATOM 0 HB2 TYR A 89 7.510 6.137 9.235 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.666 7.031 7.736 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.337 6.112 10.877 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.724 8.233 7.203 1.00 0.00 H new ATOM 0 HE1 TYR A 89 11.840 6.271 11.225 1.00 0.00 H new ATOM 0 HE2 TYR A 89 12.227 8.385 7.562 1.00 0.00 H new ATOM 0 HH TYR A 89 13.882 7.894 8.844 1.00 0.00 H new ATOM 1314 N ARG A 90 5.029 9.207 8.616 1.00 0.00 N ATOM 1315 CA ARG A 90 3.632 9.221 8.219 1.00 0.00 C ATOM 1316 C ARG A 90 3.464 8.572 6.844 1.00 0.00 C ATOM 1317 O ARG A 90 4.099 8.987 5.875 1.00 0.00 O ATOM 1318 CB ARG A 90 3.087 10.650 8.170 1.00 0.00 C ATOM 1319 CG ARG A 90 2.581 11.091 9.545 1.00 0.00 C ATOM 1320 CD ARG A 90 1.358 12.002 9.413 1.00 0.00 C ATOM 1321 NE ARG A 90 0.721 12.189 10.735 1.00 0.00 N ATOM 1322 CZ ARG A 90 -0.530 12.635 10.910 1.00 0.00 C ATOM 1323 NH1 ARG A 90 -1.286 12.944 9.847 1.00 0.00 N ATOM 1324 NH2 ARG A 90 -1.026 12.774 12.147 1.00 0.00 N ATOM 0 H ARG A 90 5.502 10.108 8.545 1.00 0.00 H new ATOM 0 HA ARG A 90 3.071 8.655 8.963 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.869 11.330 7.831 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.276 10.709 7.444 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.324 10.215 10.140 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.374 11.616 10.077 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.656 12.967 9.004 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.644 11.567 8.714 1.00 0.00 H new ATOM 0 HE ARG A 90 1.269 11.964 11.566 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.909 12.839 8.905 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.239 13.284 9.980 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.451 12.540 12.956 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.979 13.114 12.279 1.00 0.00 H new ATOM 1338 N LEU A 91 2.606 7.563 6.802 1.00 0.00 N ATOM 1339 CA LEU A 91 2.346 6.852 5.561 1.00 0.00 C ATOM 1340 C LEU A 91 1.112 7.451 4.884 1.00 0.00 C ATOM 1341 O LEU A 91 0.345 8.178 5.514 1.00 0.00 O ATOM 1342 CB LEU A 91 2.238 5.348 5.818 1.00 0.00 C ATOM 1343 CG LEU A 91 3.318 4.742 6.718 1.00 0.00 C ATOM 1344 CD1 LEU A 91 2.973 3.299 7.092 1.00 0.00 C ATOM 1345 CD2 LEU A 91 4.698 4.852 6.068 1.00 0.00 C ATOM 0 H LEU A 91 2.082 7.221 7.607 1.00 0.00 H new ATOM 0 HA LEU A 91 3.180 6.974 4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.265 5.145 6.265 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.262 4.833 4.858 1.00 0.00 H new ATOM 0 HG LEU A 91 3.353 5.315 7.645 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.756 2.892 7.732 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.022 3.279 7.625 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.895 2.697 6.187 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.447 4.414 6.728 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.696 4.319 5.117 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.936 5.902 5.895 1.00 0.00 H new ATOM 1357 N ARG A 92 0.958 7.122 3.610 1.00 0.00 N ATOM 1358 CA ARG A 92 -0.171 7.618 2.840 1.00 0.00 C ATOM 1359 C ARG A 92 -0.846 6.469 2.088 1.00 0.00 C ATOM 1360 O ARG A 92 -0.394 6.076 1.014 1.00 0.00 O ATOM 1361 CB ARG A 92 0.273 8.685 1.837 1.00 0.00 C ATOM 1362 CG ARG A 92 0.794 9.930 2.556 1.00 0.00 C ATOM 1363 CD ARG A 92 0.172 11.201 1.973 1.00 0.00 C ATOM 1364 NE ARG A 92 0.541 12.371 2.801 1.00 0.00 N ATOM 1365 CZ ARG A 92 0.097 13.616 2.581 1.00 0.00 C ATOM 1366 NH1 ARG A 92 -0.735 13.861 1.559 1.00 0.00 N ATOM 1367 NH2 ARG A 92 0.484 14.617 3.384 1.00 0.00 N ATOM 0 H ARG A 92 1.596 6.518 3.091 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.879 8.065 3.538 1.00 0.00 H new ATOM 0 HB2 ARG A 92 1.053 8.280 1.192 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -0.564 8.956 1.194 1.00 0.00 H new ATOM 0 HG2 ARG A 92 0.564 9.863 3.619 1.00 0.00 H new ATOM 0 HG3 ARG A 92 1.879 9.978 2.467 1.00 0.00 H new ATOM 0 HD2 ARG A 92 0.515 11.347 0.949 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -0.913 11.100 1.934 1.00 0.00 H new ATOM 0 HE ARG A 92 1.172 12.220 3.588 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -1.031 13.099 0.948 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -1.073 14.809 1.392 1.00 0.00 H new ATOM 0 HH21 ARG A 92 1.116 14.431 4.162 1.00 0.00 H new ATOM 0 HH22 ARG A 92 0.146 15.565 3.217 1.00 0.00 H new ATOM 1381 N VAL A 93 -1.917 5.964 2.682 1.00 0.00 N ATOM 1382 CA VAL A 93 -2.659 4.868 2.081 1.00 0.00 C ATOM 1383 C VAL A 93 -3.820 5.434 1.260 1.00 0.00 C ATOM 1384 O VAL A 93 -4.587 6.260 1.751 1.00 0.00 O ATOM 1385 CB VAL A 93 -3.114 3.888 3.164 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -3.617 2.582 2.546 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -1.992 3.623 4.170 1.00 0.00 C ATOM 0 H VAL A 93 -2.289 6.293 3.573 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.023 4.304 1.399 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.945 4.345 3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.934 1.903 3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.461 2.792 1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.815 2.119 1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.342 2.923 4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.132 3.197 3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.702 4.560 4.646 1.00 0.00 H new ATOM 1397 N GLU A 94 -3.911 4.966 0.024 1.00 0.00 N ATOM 1398 CA GLU A 94 -4.966 5.414 -0.869 1.00 0.00 C ATOM 1399 C GLU A 94 -5.162 4.409 -2.006 1.00 0.00 C ATOM 1400 O GLU A 94 -4.219 3.730 -2.409 1.00 0.00 O ATOM 1401 CB GLU A 94 -4.662 6.810 -1.418 1.00 0.00 C ATOM 1402 CG GLU A 94 -3.406 6.794 -2.292 1.00 0.00 C ATOM 1403 CD GLU A 94 -2.968 8.216 -2.647 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -2.257 8.817 -1.813 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -3.355 8.671 -3.746 1.00 0.00 O ATOM 0 H GLU A 94 -3.272 4.281 -0.380 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.894 5.476 -0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.511 7.168 -2.001 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.526 7.508 -0.592 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.600 6.282 -1.767 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.601 6.231 -3.205 1.00 0.00 H new ATOM 1412 N PHE A 95 -6.394 4.345 -2.490 1.00 0.00 N ATOM 1413 CA PHE A 95 -6.726 3.433 -3.572 1.00 0.00 C ATOM 1414 C PHE A 95 -6.128 3.913 -4.896 1.00 0.00 C ATOM 1415 O PHE A 95 -5.960 5.114 -5.107 1.00 0.00 O ATOM 1416 CB PHE A 95 -8.251 3.417 -3.691 1.00 0.00 C ATOM 1417 CG PHE A 95 -8.932 2.364 -2.816 1.00 0.00 C ATOM 1418 CD1 PHE A 95 -8.398 1.117 -2.712 1.00 0.00 C ATOM 1419 CD2 PHE A 95 -10.072 2.673 -2.142 1.00 0.00 C ATOM 1420 CE1 PHE A 95 -9.030 0.139 -1.899 1.00 0.00 C ATOM 1421 CE2 PHE A 95 -10.704 1.696 -1.329 1.00 0.00 C ATOM 1422 CZ PHE A 95 -10.170 0.449 -1.225 1.00 0.00 C ATOM 0 H PHE A 95 -7.174 4.909 -2.153 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.324 2.442 -3.360 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.636 4.401 -3.424 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.522 3.240 -4.732 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.493 0.871 -3.248 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.497 3.662 -2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.606 -0.851 -1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.609 1.943 -0.793 1.00 0.00 H new ATOM 0 HZ PHE A 95 -10.651 -0.295 -0.607 1.00 0.00 H new ATOM 1432 N PRO A 96 -5.814 2.926 -5.777 1.00 0.00 N ATOM 1433 CA PRO A 96 -5.239 3.235 -7.075 1.00 0.00 C ATOM 1434 C PRO A 96 -6.299 3.794 -8.026 1.00 0.00 C ATOM 1435 O PRO A 96 -7.323 3.155 -8.264 1.00 0.00 O ATOM 1436 CB PRO A 96 -4.636 1.927 -7.560 1.00 0.00 C ATOM 1437 CG PRO A 96 -5.297 0.833 -6.737 1.00 0.00 C ATOM 1438 CD PRO A 96 -5.999 1.494 -5.561 1.00 0.00 C ATOM 0 HA PRO A 96 -4.478 4.014 -7.023 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.822 1.782 -8.624 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.555 1.920 -7.422 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.011 0.277 -7.344 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.553 0.118 -6.385 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -7.056 1.231 -5.532 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.566 1.177 -4.612 1.00 0.00 H new