USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 498 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 27 TYR OH : rot 165:sc= 0 USER MOD Single : A 28 TYR OH : rot 45:sc= 0.886 USER MOD Single : A 31 HIS : no HD1:sc= -0.0543 X(o=-0.054,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0397 USER MOD Single : A 40 MET CE :methyl 166:sc= -0.0488 (180deg=-0.329) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -51:sc= 0.841 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 10:sc= 0.659 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.303 X(o=-0.3,f=0.023) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 65 ASN : amide:sc= -0.0383 K(o=-0.038,f=-0.55) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0465 USER MOD Single : A 72 ASN : amide:sc= -1 K(o=-1,f=-11!) USER MOD Single : A 74 LYS NZ :NH3+ 168:sc=-0.00955 (180deg=-0.167) USER MOD Single : A 75 GLN : amide:sc= -0.349 K(o=-0.35,f=-0.91) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N ALA A 22 -14.694 14.560 -4.543 1.00 0.00 N ATOM 225 CA ALA A 22 -14.920 14.907 -5.915 1.00 0.00 C ATOM 226 C ALA A 22 -16.218 14.261 -6.321 1.00 0.00 C ATOM 227 O ALA A 22 -16.468 13.112 -5.945 1.00 0.00 O ATOM 228 CB ALA A 22 -13.784 14.391 -6.780 1.00 0.00 C ATOM 0 HA ALA A 22 -14.967 15.989 -6.041 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.967 14.661 -7.820 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.845 14.835 -6.450 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.723 13.306 -6.692 1.00 0.00 H new ATOM 234 N ARG A 23 -17.068 14.982 -7.010 1.00 0.00 N ATOM 235 CA ARG A 23 -18.333 14.408 -7.438 1.00 0.00 C ATOM 236 C ARG A 23 -18.398 14.336 -8.951 1.00 0.00 C ATOM 237 O ARG A 23 -19.063 13.458 -9.529 1.00 0.00 O ATOM 238 CB ARG A 23 -19.537 15.176 -6.869 1.00 0.00 C ATOM 239 CG ARG A 23 -19.575 15.213 -5.347 1.00 0.00 C ATOM 240 CD ARG A 23 -20.850 15.861 -4.820 1.00 0.00 C ATOM 241 NE ARG A 23 -20.813 16.031 -3.351 1.00 0.00 N ATOM 242 CZ ARG A 23 -21.878 15.954 -2.526 1.00 0.00 C ATOM 243 NH1 ARG A 23 -23.079 15.648 -3.004 1.00 0.00 N1+ ATOM 244 NH2 ARG A 23 -21.733 16.190 -1.222 1.00 0.00 N ATOM 0 H ARG A 23 -16.917 15.952 -7.286 1.00 0.00 H new ATOM 0 HA ARG A 23 -18.386 13.395 -7.039 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -19.517 16.198 -7.248 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -20.455 14.718 -7.236 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -19.498 14.198 -4.958 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -18.710 15.763 -4.977 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -20.987 16.832 -5.295 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -21.709 15.248 -5.094 1.00 0.00 H new ATOM 0 HE ARG A 23 -19.906 16.223 -2.926 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -23.201 15.469 -4.001 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -23.879 15.592 -2.374 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -20.816 16.429 -0.846 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -22.540 16.131 -0.600 1.00 0.00 H new ATOM 258 N PHE A 24 -17.720 15.237 -9.594 1.00 0.00 N ATOM 259 CA PHE A 24 -17.662 15.257 -11.034 1.00 0.00 C ATOM 260 C PHE A 24 -16.219 15.289 -11.463 1.00 0.00 C ATOM 261 O PHE A 24 -15.328 15.382 -10.632 1.00 0.00 O ATOM 262 CB PHE A 24 -18.397 16.491 -11.628 1.00 0.00 C ATOM 263 CG PHE A 24 -19.895 16.503 -11.476 1.00 0.00 C ATOM 264 CD1 PHE A 24 -20.490 16.814 -10.265 1.00 0.00 C ATOM 265 CD2 PHE A 24 -20.706 16.214 -12.556 1.00 0.00 C ATOM 266 CE1 PHE A 24 -21.861 16.829 -10.138 1.00 0.00 C ATOM 267 CE2 PHE A 24 -22.077 16.231 -12.436 1.00 0.00 C ATOM 268 CZ PHE A 24 -22.655 16.537 -11.228 1.00 0.00 C ATOM 0 H PHE A 24 -17.190 15.981 -9.141 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.160 14.361 -11.405 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -17.997 17.389 -11.157 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -18.159 16.555 -12.690 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -19.872 17.047 -9.411 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -20.258 15.971 -13.508 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -22.314 17.069 -9.187 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -22.697 16.004 -13.290 1.00 0.00 H new ATOM 0 HZ PHE A 24 -23.731 16.549 -11.131 1.00 0.00 H new ATOM 278 N CYS A 25 -16.002 15.160 -12.723 1.00 0.00 N ATOM 279 CA CYS A 25 -14.720 15.343 -13.309 1.00 0.00 C ATOM 280 C CYS A 25 -14.857 16.353 -14.421 1.00 0.00 C ATOM 281 O CYS A 25 -15.816 16.291 -15.208 1.00 0.00 O ATOM 282 CB CYS A 25 -14.170 14.033 -13.860 1.00 0.00 C ATOM 283 SG CYS A 25 -13.715 12.798 -12.610 1.00 0.00 S ATOM 0 H CYS A 25 -16.731 14.918 -13.394 1.00 0.00 H new ATOM 0 HA CYS A 25 -14.022 15.695 -12.550 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -14.915 13.596 -14.525 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -13.292 14.253 -14.467 1.00 0.00 H new ATOM 288 N VAL A 26 -13.950 17.283 -14.464 1.00 0.00 N ATOM 289 CA VAL A 26 -13.947 18.329 -15.462 1.00 0.00 C ATOM 290 C VAL A 26 -13.017 17.904 -16.575 1.00 0.00 C ATOM 291 O VAL A 26 -11.826 17.704 -16.334 1.00 0.00 O ATOM 292 CB VAL A 26 -13.399 19.648 -14.871 1.00 0.00 C ATOM 293 CG1 VAL A 26 -13.708 20.812 -15.768 1.00 0.00 C ATOM 294 CG2 VAL A 26 -13.900 19.889 -13.464 1.00 0.00 C ATOM 0 H VAL A 26 -13.177 17.344 -13.801 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.966 18.488 -15.816 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.315 19.549 -14.811 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.311 21.726 -15.327 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.250 20.651 -16.744 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.788 20.905 -15.885 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.490 20.826 -13.087 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.989 19.945 -13.470 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.582 19.069 -12.819 1.00 0.00 H new ATOM 304 N TYR A 27 -13.552 17.739 -17.761 1.00 0.00 N ATOM 305 CA TYR A 27 -12.757 17.331 -18.906 1.00 0.00 C ATOM 306 C TYR A 27 -12.351 18.507 -19.741 1.00 0.00 C ATOM 307 O TYR A 27 -13.107 19.493 -19.871 1.00 0.00 O ATOM 308 CB TYR A 27 -13.484 16.303 -19.765 1.00 0.00 C ATOM 309 CG TYR A 27 -13.607 14.952 -19.112 1.00 0.00 C ATOM 310 CD1 TYR A 27 -14.488 14.731 -18.065 1.00 0.00 C ATOM 311 CD2 TYR A 27 -12.830 13.897 -19.541 1.00 0.00 C ATOM 312 CE1 TYR A 27 -14.582 13.495 -17.466 1.00 0.00 C ATOM 313 CE2 TYR A 27 -12.924 12.663 -18.949 1.00 0.00 C ATOM 314 CZ TYR A 27 -13.798 12.466 -17.913 1.00 0.00 C ATOM 315 OH TYR A 27 -13.882 11.231 -17.313 1.00 0.00 O ATOM 0 H TYR A 27 -14.541 17.881 -17.964 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.856 16.863 -18.508 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -14.481 16.677 -19.999 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.955 16.193 -20.712 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -15.110 15.541 -17.714 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.137 14.044 -20.356 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.270 13.338 -16.648 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.309 11.847 -19.300 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.448 10.561 -17.881 1.00 0.00 H new ATOM 325 N TYR A 28 -11.173 18.413 -20.299 1.00 0.00 N ATOM 326 CA TYR A 28 -10.615 19.451 -21.119 1.00 0.00 C ATOM 327 C TYR A 28 -9.942 18.851 -22.328 1.00 0.00 C ATOM 328 O TYR A 28 -9.562 17.672 -22.324 1.00 0.00 O ATOM 329 CB TYR A 28 -9.531 20.223 -20.381 1.00 0.00 C ATOM 330 CG TYR A 28 -9.893 20.816 -19.057 1.00 0.00 C ATOM 331 CD1 TYR A 28 -9.703 20.094 -17.901 1.00 0.00 C ATOM 332 CD2 TYR A 28 -10.366 22.113 -18.954 1.00 0.00 C ATOM 333 CE1 TYR A 28 -9.972 20.635 -16.686 1.00 0.00 C ATOM 334 CE2 TYR A 28 -10.649 22.666 -17.729 1.00 0.00 C ATOM 335 CZ TYR A 28 -10.447 21.920 -16.596 1.00 0.00 C ATOM 336 OH TYR A 28 -10.696 22.461 -15.365 1.00 0.00 O ATOM 0 H TYR A 28 -10.566 17.600 -20.194 1.00 0.00 H new ATOM 0 HA TYR A 28 -11.440 20.109 -21.392 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.683 19.554 -20.231 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -9.190 21.029 -21.030 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.334 19.081 -17.962 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.515 22.698 -19.849 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.812 20.055 -15.789 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -11.026 23.676 -17.659 1.00 0.00 H new ATOM 0 HH TYR A 28 -9.954 22.253 -14.760 1.00 0.00 H new ATOM 346 N ASP A 29 -9.797 19.666 -23.329 1.00 0.00 N ATOM 347 CA ASP A 29 -9.049 19.347 -24.524 1.00 0.00 C ATOM 348 C ASP A 29 -7.684 19.934 -24.339 1.00 0.00 C ATOM 349 O ASP A 29 -7.551 21.163 -24.207 1.00 0.00 O ATOM 350 CB ASP A 29 -9.685 20.012 -25.757 1.00 0.00 C ATOM 351 CG ASP A 29 -8.960 19.701 -27.072 1.00 0.00 C ATOM 352 OD1 ASP A 29 -7.807 20.168 -27.284 1.00 0.00 O1- ATOM 353 OD2 ASP A 29 -9.527 18.998 -27.918 1.00 0.00 O ATOM 0 H ASP A 29 -10.205 20.601 -23.345 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.029 18.268 -24.678 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.722 19.687 -25.839 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.701 21.092 -25.608 1.00 0.00 H new ATOM 358 N GLY A 30 -6.696 19.116 -24.243 1.00 0.00 N ATOM 359 CA GLY A 30 -5.381 19.635 -24.158 1.00 0.00 C ATOM 360 C GLY A 30 -4.529 18.903 -23.188 1.00 0.00 C ATOM 361 O GLY A 30 -5.005 18.402 -22.176 1.00 0.00 O ATOM 0 H GLY A 30 -6.772 18.099 -24.222 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.916 19.595 -25.143 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.429 20.685 -23.870 1.00 0.00 H new ATOM 365 N HIS A 31 -3.263 18.866 -23.476 1.00 0.00 N ATOM 366 CA HIS A 31 -2.323 18.166 -22.634 1.00 0.00 C ATOM 367 C HIS A 31 -1.530 19.156 -21.794 1.00 0.00 C ATOM 368 O HIS A 31 -0.592 18.792 -21.085 1.00 0.00 O ATOM 369 CB HIS A 31 -1.399 17.224 -23.454 1.00 0.00 C ATOM 370 CG HIS A 31 -0.452 17.884 -24.425 1.00 0.00 C ATOM 371 ND1 HIS A 31 0.918 17.855 -24.287 1.00 0.00 N ATOM 372 CD2 HIS A 31 -0.696 18.548 -25.580 1.00 0.00 C ATOM 373 CE1 HIS A 31 1.454 18.486 -25.330 1.00 0.00 C ATOM 374 NE2 HIS A 31 0.516 18.927 -26.149 1.00 0.00 N ATOM 0 H HIS A 31 -2.849 19.314 -24.293 1.00 0.00 H new ATOM 0 HA HIS A 31 -2.886 17.524 -21.956 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.811 16.630 -22.754 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -2.028 16.529 -24.011 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.673 18.751 -25.993 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.514 18.619 -25.486 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.652 19.440 -27.020 1.00 0.00 H new ATOM 382 N LEU A 32 -1.926 20.408 -21.870 1.00 0.00 N ATOM 383 CA LEU A 32 -1.318 21.459 -21.092 1.00 0.00 C ATOM 384 C LEU A 32 -2.266 21.865 -20.005 1.00 0.00 C ATOM 385 O LEU A 32 -3.401 22.211 -20.289 1.00 0.00 O ATOM 386 CB LEU A 32 -0.953 22.706 -21.933 1.00 0.00 C ATOM 387 CG LEU A 32 0.346 22.660 -22.749 1.00 0.00 C ATOM 388 CD1 LEU A 32 0.296 21.628 -23.855 1.00 0.00 C ATOM 389 CD2 LEU A 32 0.665 24.027 -23.319 1.00 0.00 C ATOM 0 H LEU A 32 -2.682 20.724 -22.477 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.387 21.063 -20.686 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.775 22.898 -22.622 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.896 23.560 -21.259 1.00 0.00 H new ATOM 0 HG LEU A 32 1.141 22.362 -22.065 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.239 21.635 -24.402 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.134 20.640 -23.424 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.521 21.864 -24.537 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.589 23.975 -23.894 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.149 24.349 -23.968 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.784 24.742 -22.505 1.00 0.00 H new ATOM 401 N PRO A 33 -1.817 21.869 -18.744 1.00 0.00 N ATOM 402 CA PRO A 33 -2.665 22.245 -17.606 1.00 0.00 C ATOM 403 C PRO A 33 -3.047 23.732 -17.641 1.00 0.00 C ATOM 404 O PRO A 33 -3.881 24.193 -16.865 1.00 0.00 O ATOM 405 CB PRO A 33 -1.792 21.935 -16.383 1.00 0.00 C ATOM 406 CG PRO A 33 -0.392 21.949 -16.887 1.00 0.00 C ATOM 407 CD PRO A 33 -0.453 21.495 -18.315 1.00 0.00 C ATOM 0 HA PRO A 33 -3.613 21.707 -17.605 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.935 22.678 -15.599 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.046 20.966 -15.954 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.037 22.948 -16.815 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.241 21.287 -16.295 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.307 21.985 -18.924 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.286 20.421 -18.401 1.00 0.00 H new ATOM 415 N ALA A 34 -2.404 24.477 -18.519 1.00 0.00 N ATOM 416 CA ALA A 34 -2.705 25.876 -18.702 1.00 0.00 C ATOM 417 C ALA A 34 -3.691 26.099 -19.852 1.00 0.00 C ATOM 418 O ALA A 34 -4.823 26.517 -19.647 1.00 0.00 O ATOM 419 CB ALA A 34 -1.433 26.646 -18.963 1.00 0.00 C ATOM 0 H ALA A 34 -1.660 24.127 -19.123 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.173 26.237 -17.786 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.668 27.701 -19.100 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.758 26.532 -18.115 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.953 26.261 -19.863 1.00 0.00 H new ATOM 425 N THR A 35 -3.272 25.720 -21.042 1.00 0.00 N ATOM 426 CA THR A 35 -3.968 26.039 -22.285 1.00 0.00 C ATOM 427 C THR A 35 -5.083 25.022 -22.626 1.00 0.00 C ATOM 428 O THR A 35 -5.577 24.973 -23.763 1.00 0.00 O ATOM 429 CB THR A 35 -2.917 26.014 -23.402 1.00 0.00 C ATOM 430 OG1 THR A 35 -1.641 26.336 -22.820 1.00 0.00 O ATOM 431 CG2 THR A 35 -3.243 27.050 -24.471 1.00 0.00 C ATOM 0 H THR A 35 -2.423 25.171 -21.182 1.00 0.00 H new ATOM 0 HA THR A 35 -4.449 27.011 -22.179 1.00 0.00 H new ATOM 0 HB THR A 35 -2.904 25.027 -23.865 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.952 26.324 -23.516 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.485 27.016 -25.254 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.220 26.833 -24.902 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.257 28.043 -24.023 1.00 0.00 H new ATOM 439 N ARG A 36 -5.482 24.250 -21.660 1.00 0.00 N ATOM 440 CA ARG A 36 -6.484 23.226 -21.872 1.00 0.00 C ATOM 441 C ARG A 36 -7.882 23.862 -22.022 1.00 0.00 C ATOM 442 O ARG A 36 -8.235 24.781 -21.278 1.00 0.00 O ATOM 443 CB ARG A 36 -6.427 22.175 -20.733 1.00 0.00 C ATOM 444 CG ARG A 36 -7.015 22.591 -19.363 1.00 0.00 C ATOM 445 CD ARG A 36 -6.408 23.857 -18.783 1.00 0.00 C ATOM 446 NE ARG A 36 -6.978 24.193 -17.483 1.00 0.00 N ATOM 447 CZ ARG A 36 -7.252 25.440 -17.044 1.00 0.00 C ATOM 448 NH1 ARG A 36 -6.976 26.498 -17.800 1.00 0.00 N1+ ATOM 449 NH2 ARG A 36 -7.772 25.623 -15.835 1.00 0.00 N ATOM 0 H ARG A 36 -5.130 24.304 -20.704 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.273 22.701 -22.804 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.953 21.281 -21.070 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.385 21.894 -20.583 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.090 22.733 -19.470 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.870 21.775 -18.655 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.330 23.729 -18.684 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.568 24.685 -19.474 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.187 23.420 -16.852 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.554 26.371 -18.720 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.186 27.436 -17.460 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.965 24.820 -15.236 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.978 26.566 -15.506 1.00 0.00 H new ATOM 463 N VAL A 37 -8.643 23.400 -22.988 1.00 0.00 N ATOM 464 CA VAL A 37 -9.954 23.968 -23.270 1.00 0.00 C ATOM 465 C VAL A 37 -11.024 23.192 -22.516 1.00 0.00 C ATOM 466 O VAL A 37 -11.096 21.979 -22.634 1.00 0.00 O ATOM 467 CB VAL A 37 -10.273 23.915 -24.795 1.00 0.00 C ATOM 468 CG1 VAL A 37 -11.600 24.597 -25.109 1.00 0.00 C ATOM 469 CG2 VAL A 37 -9.147 24.527 -25.615 1.00 0.00 C ATOM 0 H VAL A 37 -8.379 22.627 -23.599 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.946 25.009 -22.948 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.361 22.865 -25.072 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.793 24.542 -26.180 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.404 24.095 -24.570 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.554 25.642 -24.801 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.399 24.475 -26.674 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.010 25.569 -25.325 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.224 23.976 -25.434 1.00 0.00 H new ATOM 479 N LEU A 38 -11.831 23.889 -21.748 1.00 0.00 N ATOM 480 CA LEU A 38 -12.912 23.284 -20.971 1.00 0.00 C ATOM 481 C LEU A 38 -13.920 22.611 -21.905 1.00 0.00 C ATOM 482 O LEU A 38 -14.361 23.212 -22.879 1.00 0.00 O ATOM 483 CB LEU A 38 -13.568 24.387 -20.076 1.00 0.00 C ATOM 484 CG LEU A 38 -14.799 24.040 -19.186 1.00 0.00 C ATOM 485 CD1 LEU A 38 -16.093 23.946 -19.982 1.00 0.00 C ATOM 486 CD2 LEU A 38 -14.566 22.759 -18.418 1.00 0.00 C ATOM 0 H LEU A 38 -11.763 24.901 -21.638 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.523 22.504 -20.316 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.791 24.774 -19.417 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.864 25.204 -20.734 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.912 24.865 -18.482 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.916 23.702 -19.311 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.292 24.901 -20.468 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.999 23.167 -20.739 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.440 22.539 -17.804 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.398 21.940 -19.118 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.692 22.873 -17.777 1.00 0.00 H new ATOM 498 N LEU A 39 -14.249 21.361 -21.623 1.00 0.00 N ATOM 499 CA LEU A 39 -15.211 20.646 -22.429 1.00 0.00 C ATOM 500 C LEU A 39 -16.528 20.434 -21.686 1.00 0.00 C ATOM 501 O LEU A 39 -17.544 20.986 -22.086 1.00 0.00 O ATOM 502 CB LEU A 39 -14.643 19.306 -22.911 1.00 0.00 C ATOM 503 CG LEU A 39 -13.423 19.383 -23.836 1.00 0.00 C ATOM 504 CD1 LEU A 39 -12.925 17.989 -24.158 1.00 0.00 C ATOM 505 CD2 LEU A 39 -13.761 20.129 -25.123 1.00 0.00 C ATOM 0 H LEU A 39 -13.863 20.827 -20.844 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.419 21.265 -23.302 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.374 18.713 -22.037 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.434 18.765 -23.431 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.637 19.933 -23.319 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.058 18.055 -24.816 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.643 17.481 -23.236 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.715 17.426 -24.655 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.879 20.170 -25.762 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.564 19.608 -25.645 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.082 21.142 -24.882 1.00 0.00 H new ATOM 517 N MET A 40 -16.506 19.685 -20.567 1.00 0.00 N ATOM 518 CA MET A 40 -17.741 19.365 -19.830 1.00 0.00 C ATOM 519 C MET A 40 -17.437 18.611 -18.564 1.00 0.00 C ATOM 520 O MET A 40 -16.312 18.136 -18.360 1.00 0.00 O ATOM 521 CB MET A 40 -18.747 18.556 -20.688 1.00 0.00 C ATOM 522 CG MET A 40 -18.252 17.193 -21.117 1.00 0.00 C ATOM 523 SD MET A 40 -19.509 16.215 -21.978 1.00 0.00 S ATOM 524 CE MET A 40 -19.800 17.225 -23.433 1.00 0.00 C ATOM 0 H MET A 40 -15.657 19.295 -20.158 1.00 0.00 H new ATOM 0 HA MET A 40 -18.204 20.319 -19.579 1.00 0.00 H new ATOM 0 HB2 MET A 40 -19.670 18.432 -20.122 1.00 0.00 H new ATOM 0 HB3 MET A 40 -18.994 19.135 -21.578 1.00 0.00 H new ATOM 0 HG2 MET A 40 -17.388 17.317 -21.769 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.913 16.644 -20.239 1.00 0.00 H new ATOM 0 HE1 MET A 40 -20.354 16.647 -24.173 1.00 0.00 H new ATOM 0 HE2 MET A 40 -20.378 18.106 -23.155 1.00 0.00 H new ATOM 0 HE3 MET A 40 -18.845 17.536 -23.857 1.00 0.00 H new ATOM 534 N TYR A 41 -18.432 18.528 -17.725 1.00 0.00 N ATOM 535 CA TYR A 41 -18.357 17.831 -16.461 1.00 0.00 C ATOM 536 C TYR A 41 -19.033 16.473 -16.578 1.00 0.00 C ATOM 537 O TYR A 41 -20.070 16.348 -17.234 1.00 0.00 O ATOM 538 CB TYR A 41 -19.082 18.634 -15.379 1.00 0.00 C ATOM 539 CG TYR A 41 -18.538 20.021 -15.139 1.00 0.00 C ATOM 540 CD1 TYR A 41 -17.477 20.223 -14.283 1.00 0.00 C ATOM 541 CD2 TYR A 41 -19.102 21.133 -15.759 1.00 0.00 C ATOM 542 CE1 TYR A 41 -16.984 21.487 -14.048 1.00 0.00 C ATOM 543 CE2 TYR A 41 -18.609 22.402 -15.528 1.00 0.00 C ATOM 544 CZ TYR A 41 -17.548 22.568 -14.669 1.00 0.00 C ATOM 545 OH TYR A 41 -17.054 23.826 -14.421 1.00 0.00 O ATOM 0 H TYR A 41 -19.343 18.952 -17.901 1.00 0.00 H new ATOM 0 HA TYR A 41 -17.307 17.707 -16.197 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -20.134 18.715 -15.652 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -19.038 18.076 -14.444 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -17.025 19.376 -13.788 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -19.937 21.001 -16.431 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -16.152 21.625 -13.373 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -19.053 23.256 -16.017 1.00 0.00 H new ATOM 0 HH TYR A 41 -17.562 24.485 -14.939 1.00 0.00 H new ATOM 555 N VAL A 42 -18.445 15.467 -15.977 1.00 0.00 N ATOM 556 CA VAL A 42 -19.034 14.132 -15.946 1.00 0.00 C ATOM 557 C VAL A 42 -19.150 13.673 -14.504 1.00 0.00 C ATOM 558 O VAL A 42 -18.211 13.829 -13.728 1.00 0.00 O ATOM 559 CB VAL A 42 -18.201 13.093 -16.755 1.00 0.00 C ATOM 560 CG1 VAL A 42 -18.829 11.700 -16.700 1.00 0.00 C ATOM 561 CG2 VAL A 42 -18.044 13.535 -18.197 1.00 0.00 C ATOM 0 H VAL A 42 -17.549 15.540 -15.495 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.017 14.194 -16.413 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.216 13.038 -16.292 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -18.220 11.003 -17.276 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.882 11.365 -15.664 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -19.834 11.737 -17.121 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.459 12.795 -18.743 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -19.027 13.632 -18.657 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.532 14.497 -18.229 1.00 0.00 H new ATOM 571 N ARG A 43 -20.298 13.154 -14.153 1.00 0.00 N ATOM 572 CA ARG A 43 -20.587 12.678 -12.822 1.00 0.00 C ATOM 573 C ARG A 43 -19.843 11.375 -12.542 1.00 0.00 C ATOM 574 O ARG A 43 -20.000 10.382 -13.274 1.00 0.00 O ATOM 575 CB ARG A 43 -22.106 12.480 -12.685 1.00 0.00 C ATOM 576 CG ARG A 43 -22.594 12.005 -11.325 1.00 0.00 C ATOM 577 CD ARG A 43 -22.235 12.984 -10.227 1.00 0.00 C ATOM 578 NE ARG A 43 -22.814 12.596 -8.948 1.00 0.00 N ATOM 579 CZ ARG A 43 -22.134 12.190 -7.873 1.00 0.00 C ATOM 580 NH1 ARG A 43 -20.816 12.061 -7.921 1.00 0.00 N1+ ATOM 581 NH2 ARG A 43 -22.775 11.917 -6.749 1.00 0.00 N ATOM 0 H ARG A 43 -21.079 13.047 -14.801 1.00 0.00 H new ATOM 0 HA ARG A 43 -20.249 13.412 -12.091 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -22.598 13.425 -12.917 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -22.428 11.760 -13.437 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -23.675 11.871 -11.353 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -22.157 11.032 -11.101 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -21.151 13.043 -10.133 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -22.586 13.980 -10.498 1.00 0.00 H new ATOM 0 HE ARG A 43 -23.830 12.638 -8.866 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -20.314 12.272 -8.783 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -20.304 11.750 -7.096 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -23.789 12.017 -6.703 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -22.255 11.607 -5.928 1.00 0.00 H new ATOM 595 N ILE A 44 -19.028 11.387 -11.509 1.00 0.00 N ATOM 596 CA ILE A 44 -18.295 10.203 -11.095 1.00 0.00 C ATOM 597 C ILE A 44 -19.272 9.108 -10.715 1.00 0.00 C ATOM 598 O ILE A 44 -20.177 9.321 -9.902 1.00 0.00 O ATOM 599 CB ILE A 44 -17.318 10.485 -9.918 1.00 0.00 C ATOM 600 CG1 ILE A 44 -16.265 11.512 -10.349 1.00 0.00 C ATOM 601 CG2 ILE A 44 -16.644 9.188 -9.432 1.00 0.00 C ATOM 602 CD1 ILE A 44 -15.242 11.819 -9.285 1.00 0.00 C ATOM 0 H ILE A 44 -18.853 12.211 -10.934 1.00 0.00 H new ATOM 0 HA ILE A 44 -17.686 9.883 -11.940 1.00 0.00 H new ATOM 0 HB ILE A 44 -17.891 10.892 -9.085 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -15.752 11.142 -11.237 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -16.768 12.436 -10.634 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -15.967 9.416 -8.609 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.406 8.488 -9.091 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.081 8.741 -10.252 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.531 12.553 -9.665 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.743 12.220 -8.404 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.711 10.906 -9.016 1.00 0.00 H new ATOM 614 N GLY A 45 -19.106 7.983 -11.338 1.00 0.00 N ATOM 615 CA GLY A 45 -19.968 6.873 -11.152 1.00 0.00 C ATOM 616 C GLY A 45 -20.662 6.549 -12.444 1.00 0.00 C ATOM 617 O GLY A 45 -21.085 5.410 -12.676 1.00 0.00 O ATOM 0 H GLY A 45 -18.350 7.814 -12.002 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -19.397 6.010 -10.808 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -20.703 7.097 -10.379 1.00 0.00 H new ATOM 621 N THR A 46 -20.738 7.540 -13.317 1.00 0.00 N ATOM 622 CA THR A 46 -21.436 7.388 -14.564 1.00 0.00 C ATOM 623 C THR A 46 -20.509 7.577 -15.756 1.00 0.00 C ATOM 624 O THR A 46 -19.331 8.013 -15.624 1.00 0.00 O ATOM 625 CB THR A 46 -22.638 8.379 -14.667 1.00 0.00 C ATOM 626 OG1 THR A 46 -22.182 9.742 -14.666 1.00 0.00 O ATOM 627 CG2 THR A 46 -23.601 8.182 -13.506 1.00 0.00 C ATOM 0 H THR A 46 -20.320 8.459 -13.175 1.00 0.00 H new ATOM 0 HA THR A 46 -21.819 6.368 -14.586 1.00 0.00 H new ATOM 0 HB THR A 46 -23.152 8.171 -15.606 1.00 0.00 H new ATOM 0 HG1 THR A 46 -21.573 9.883 -13.911 1.00 0.00 H new ATOM 0 HG21 THR A 46 -24.431 8.883 -13.598 1.00 0.00 H new ATOM 0 HG22 THR A 46 -23.985 7.162 -13.521 1.00 0.00 H new ATOM 0 HG23 THR A 46 -23.079 8.360 -12.566 1.00 0.00 H new ATOM 635 N THR A 47 -21.015 7.208 -16.885 1.00 0.00 N ATOM 636 CA THR A 47 -20.349 7.383 -18.125 1.00 0.00 C ATOM 637 C THR A 47 -20.967 8.554 -18.859 1.00 0.00 C ATOM 638 O THR A 47 -22.115 8.939 -18.574 1.00 0.00 O ATOM 639 CB THR A 47 -20.472 6.121 -18.993 1.00 0.00 C ATOM 640 OG1 THR A 47 -21.860 5.795 -19.189 1.00 0.00 O ATOM 641 CG2 THR A 47 -19.782 4.945 -18.339 1.00 0.00 C ATOM 0 H THR A 47 -21.929 6.764 -16.969 1.00 0.00 H new ATOM 0 HA THR A 47 -19.293 7.572 -17.932 1.00 0.00 H new ATOM 0 HB THR A 47 -19.995 6.325 -19.952 1.00 0.00 H new ATOM 0 HG1 THR A 47 -21.932 4.991 -19.744 1.00 0.00 H new ATOM 0 HG21 THR A 47 -19.884 4.065 -18.973 1.00 0.00 H new ATOM 0 HG22 THR A 47 -18.725 5.173 -18.202 1.00 0.00 H new ATOM 0 HG23 THR A 47 -20.239 4.748 -17.369 1.00 0.00 H new ATOM 649 N ALA A 48 -20.225 9.111 -19.768 1.00 0.00 N ATOM 650 CA ALA A 48 -20.687 10.231 -20.590 1.00 0.00 C ATOM 651 C ALA A 48 -19.828 10.374 -21.818 1.00 0.00 C ATOM 652 O ALA A 48 -18.653 10.007 -21.810 1.00 0.00 O ATOM 653 CB ALA A 48 -20.699 11.535 -19.806 1.00 0.00 C ATOM 0 H ALA A 48 -19.272 8.812 -19.975 1.00 0.00 H new ATOM 0 HA ALA A 48 -21.711 10.013 -20.894 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -21.047 12.343 -20.449 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -21.367 11.439 -18.950 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.691 11.759 -19.456 1.00 0.00 H new ATOM 659 N THR A 49 -20.408 10.878 -22.869 1.00 0.00 N ATOM 660 CA THR A 49 -19.702 11.068 -24.097 1.00 0.00 C ATOM 661 C THR A 49 -19.126 12.471 -24.179 1.00 0.00 C ATOM 662 O THR A 49 -19.857 13.473 -24.122 1.00 0.00 O ATOM 663 CB THR A 49 -20.615 10.820 -25.310 1.00 0.00 C ATOM 664 OG1 THR A 49 -21.206 9.533 -25.192 1.00 0.00 O ATOM 665 CG2 THR A 49 -19.834 10.882 -26.617 1.00 0.00 C ATOM 0 H THR A 49 -21.385 11.168 -22.896 1.00 0.00 H new ATOM 0 HA THR A 49 -18.887 10.344 -24.116 1.00 0.00 H new ATOM 0 HB THR A 49 -21.378 11.598 -25.325 1.00 0.00 H new ATOM 0 HG1 THR A 49 -21.018 9.167 -24.303 1.00 0.00 H new ATOM 0 HG21 THR A 49 -20.510 10.702 -27.453 1.00 0.00 H new ATOM 0 HG22 THR A 49 -19.379 11.867 -26.723 1.00 0.00 H new ATOM 0 HG23 THR A 49 -19.054 10.121 -26.611 1.00 0.00 H new ATOM 673 N ILE A 50 -17.831 12.524 -24.277 1.00 0.00 N ATOM 674 CA ILE A 50 -17.106 13.734 -24.483 1.00 0.00 C ATOM 675 C ILE A 50 -16.899 13.824 -25.976 1.00 0.00 C ATOM 676 O ILE A 50 -16.807 12.802 -26.651 1.00 0.00 O ATOM 677 CB ILE A 50 -15.701 13.664 -23.827 1.00 0.00 C ATOM 678 CG1 ILE A 50 -15.773 13.134 -22.389 1.00 0.00 C ATOM 679 CG2 ILE A 50 -15.013 15.030 -23.859 1.00 0.00 C ATOM 680 CD1 ILE A 50 -16.554 14.006 -21.435 1.00 0.00 C ATOM 0 H ILE A 50 -17.235 11.699 -24.213 1.00 0.00 H new ATOM 0 HA ILE A 50 -17.646 14.579 -24.056 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.106 12.962 -24.412 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -16.223 12.141 -22.404 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.759 13.019 -22.007 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -14.030 14.954 -23.393 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -14.900 15.356 -24.893 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.618 15.755 -23.314 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.552 13.553 -20.443 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -16.094 14.993 -21.385 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -17.581 14.102 -21.787 1.00 0.00 H new ATOM 692 N THR A 51 -16.890 14.978 -26.490 1.00 0.00 N ATOM 693 CA THR A 51 -16.651 15.164 -27.880 1.00 0.00 C ATOM 694 C THR A 51 -15.542 16.181 -28.045 1.00 0.00 C ATOM 695 O THR A 51 -15.724 17.363 -27.748 1.00 0.00 O ATOM 696 CB THR A 51 -17.940 15.589 -28.609 1.00 0.00 C ATOM 697 OG1 THR A 51 -18.969 14.621 -28.304 1.00 0.00 O ATOM 698 CG2 THR A 51 -17.728 15.630 -30.123 1.00 0.00 C ATOM 0 H THR A 51 -17.048 15.839 -25.967 1.00 0.00 H new ATOM 0 HA THR A 51 -16.338 14.224 -28.334 1.00 0.00 H new ATOM 0 HB THR A 51 -18.226 16.587 -28.277 1.00 0.00 H new ATOM 0 HG1 THR A 51 -19.800 14.873 -28.757 1.00 0.00 H new ATOM 0 HG21 THR A 51 -18.654 15.933 -30.612 1.00 0.00 H new ATOM 0 HG22 THR A 51 -16.941 16.346 -30.361 1.00 0.00 H new ATOM 0 HG23 THR A 51 -17.438 14.641 -30.477 1.00 0.00 H new ATOM 706 N ALA A 52 -14.391 15.705 -28.448 1.00 0.00 N ATOM 707 CA ALA A 52 -13.223 16.527 -28.585 1.00 0.00 C ATOM 708 C ALA A 52 -12.561 16.229 -29.902 1.00 0.00 C ATOM 709 O ALA A 52 -12.503 15.073 -30.323 1.00 0.00 O ATOM 710 CB ALA A 52 -12.273 16.301 -27.426 1.00 0.00 C ATOM 0 H ALA A 52 -14.241 14.726 -28.692 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.512 17.578 -28.567 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.393 16.933 -27.548 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.774 16.552 -26.491 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.968 15.255 -27.404 1.00 0.00 H new ATOM 716 N ARG A 53 -12.121 17.286 -30.571 1.00 0.00 N ATOM 717 CA ARG A 53 -11.531 17.254 -31.925 1.00 0.00 C ATOM 718 C ARG A 53 -12.524 16.672 -32.918 1.00 0.00 C ATOM 719 O ARG A 53 -12.156 16.185 -33.982 1.00 0.00 O ATOM 720 CB ARG A 53 -10.212 16.463 -31.981 1.00 0.00 C ATOM 721 CG ARG A 53 -9.205 16.875 -30.941 1.00 0.00 C ATOM 722 CD ARG A 53 -7.796 16.420 -31.296 1.00 0.00 C ATOM 723 NE ARG A 53 -7.679 14.973 -31.563 1.00 0.00 N ATOM 724 CZ ARG A 53 -6.507 14.327 -31.750 1.00 0.00 C ATOM 725 NH1 ARG A 53 -5.354 14.964 -31.591 1.00 0.00 N1+ ATOM 726 NH2 ARG A 53 -6.497 13.045 -32.059 1.00 0.00 N ATOM 0 H ARG A 53 -12.161 18.228 -30.182 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.301 18.285 -32.192 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.431 15.402 -31.859 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.769 16.585 -32.969 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.219 17.960 -30.833 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.489 16.455 -29.976 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.459 16.969 -32.175 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.124 16.683 -30.479 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.538 14.425 -31.609 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.348 15.949 -31.326 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.474 14.469 -31.734 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.376 12.537 -32.158 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.610 12.561 -32.199 1.00 0.00 H new ATOM 740 N GLY A 54 -13.778 16.803 -32.585 1.00 0.00 N ATOM 741 CA GLY A 54 -14.847 16.278 -33.406 1.00 0.00 C ATOM 742 C GLY A 54 -15.026 14.765 -33.254 1.00 0.00 C ATOM 743 O GLY A 54 -15.715 14.137 -34.063 1.00 0.00 O ATOM 0 H GLY A 54 -14.094 17.276 -31.738 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -15.779 16.777 -33.143 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.644 16.512 -34.451 1.00 0.00 H new ATOM 747 N HIS A 55 -14.404 14.183 -32.242 1.00 0.00 N ATOM 748 CA HIS A 55 -14.499 12.751 -31.994 1.00 0.00 C ATOM 749 C HIS A 55 -15.269 12.504 -30.721 1.00 0.00 C ATOM 750 O HIS A 55 -15.211 13.309 -29.788 1.00 0.00 O ATOM 751 CB HIS A 55 -13.109 12.110 -31.882 1.00 0.00 C ATOM 752 CG HIS A 55 -12.279 12.194 -33.124 1.00 0.00 C ATOM 753 ND1 HIS A 55 -12.091 11.154 -33.998 1.00 0.00 N ATOM 754 CD2 HIS A 55 -11.562 13.222 -33.616 1.00 0.00 C ATOM 755 CE1 HIS A 55 -11.286 11.569 -34.968 1.00 0.00 C ATOM 756 NE2 HIS A 55 -10.931 12.829 -34.785 1.00 0.00 N ATOM 0 H HIS A 55 -13.822 14.685 -31.572 1.00 0.00 H new ATOM 0 HA HIS A 55 -15.019 12.297 -32.838 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.568 12.590 -31.067 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -13.229 11.061 -31.612 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -11.490 14.202 -33.168 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.963 10.958 -35.798 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.322 13.392 -35.378 1.00 0.00 H new ATOM 764 N GLU A 56 -15.970 11.413 -30.681 1.00 0.00 N ATOM 765 CA GLU A 56 -16.790 11.056 -29.547 1.00 0.00 C ATOM 766 C GLU A 56 -16.107 10.013 -28.683 1.00 0.00 C ATOM 767 O GLU A 56 -15.650 8.983 -29.175 1.00 0.00 O ATOM 768 CB GLU A 56 -18.124 10.534 -30.021 1.00 0.00 C ATOM 769 CG GLU A 56 -18.988 11.587 -30.673 1.00 0.00 C ATOM 770 CD GLU A 56 -20.261 11.020 -31.225 1.00 0.00 C ATOM 771 OE1 GLU A 56 -20.749 9.995 -30.712 1.00 0.00 O ATOM 772 OE2 GLU A 56 -20.828 11.613 -32.161 1.00 0.00 O1- ATOM 0 H GLU A 56 -15.994 10.732 -31.440 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.942 11.951 -28.944 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.956 9.723 -30.730 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.661 10.110 -29.173 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -19.225 12.362 -29.944 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.428 12.066 -31.476 1.00 0.00 H new ATOM 779 N PHE A 57 -16.030 10.287 -27.413 1.00 0.00 N ATOM 780 CA PHE A 57 -15.416 9.421 -26.462 1.00 0.00 C ATOM 781 C PHE A 57 -16.395 9.139 -25.351 1.00 0.00 C ATOM 782 O PHE A 57 -16.729 10.037 -24.588 1.00 0.00 O ATOM 783 CB PHE A 57 -14.195 10.113 -25.853 1.00 0.00 C ATOM 784 CG PHE A 57 -13.192 10.603 -26.847 1.00 0.00 C ATOM 785 CD1 PHE A 57 -12.241 9.752 -27.363 1.00 0.00 C ATOM 786 CD2 PHE A 57 -13.207 11.924 -27.269 1.00 0.00 C ATOM 787 CE1 PHE A 57 -11.324 10.203 -28.280 1.00 0.00 C ATOM 788 CE2 PHE A 57 -12.291 12.379 -28.184 1.00 0.00 C ATOM 789 CZ PHE A 57 -11.349 11.519 -28.694 1.00 0.00 C ATOM 0 H PHE A 57 -16.404 11.143 -27.004 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.117 8.497 -26.957 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.535 10.958 -25.254 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.702 9.418 -25.173 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.216 8.721 -27.044 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.948 12.602 -26.873 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.582 9.527 -28.678 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -12.311 13.411 -28.502 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.629 11.872 -29.418 1.00 0.00 H new ATOM 799 N GLU A 58 -16.893 7.934 -25.279 1.00 0.00 N ATOM 800 CA GLU A 58 -17.751 7.568 -24.171 1.00 0.00 C ATOM 801 C GLU A 58 -16.803 7.193 -23.040 1.00 0.00 C ATOM 802 O GLU A 58 -16.117 6.157 -23.105 1.00 0.00 O ATOM 803 CB GLU A 58 -18.626 6.369 -24.558 1.00 0.00 C ATOM 804 CG GLU A 58 -19.725 5.999 -23.567 1.00 0.00 C ATOM 805 CD GLU A 58 -20.968 6.834 -23.709 1.00 0.00 C ATOM 806 OE1 GLU A 58 -21.854 6.451 -24.493 1.00 0.00 O1- ATOM 807 OE2 GLU A 58 -21.099 7.868 -23.047 1.00 0.00 O ATOM 0 H GLU A 58 -16.726 7.194 -25.961 1.00 0.00 H new ATOM 0 HA GLU A 58 -18.423 8.377 -23.885 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -19.089 6.578 -25.523 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -17.980 5.502 -24.695 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -19.985 4.949 -23.701 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.340 6.105 -22.553 1.00 0.00 H new ATOM 814 N VAL A 59 -16.723 8.032 -22.060 1.00 0.00 N ATOM 815 CA VAL A 59 -15.782 7.860 -20.984 1.00 0.00 C ATOM 816 C VAL A 59 -16.522 7.430 -19.751 1.00 0.00 C ATOM 817 O VAL A 59 -17.730 7.669 -19.620 1.00 0.00 O ATOM 818 CB VAL A 59 -15.000 9.190 -20.657 1.00 0.00 C ATOM 819 CG1 VAL A 59 -14.294 9.752 -21.878 1.00 0.00 C ATOM 820 CG2 VAL A 59 -15.910 10.255 -20.039 1.00 0.00 C ATOM 0 H VAL A 59 -17.308 8.863 -21.976 1.00 0.00 H new ATOM 0 HA VAL A 59 -15.058 7.108 -21.297 1.00 0.00 H new ATOM 0 HB VAL A 59 -14.243 8.921 -19.921 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -13.769 10.667 -21.605 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.578 9.021 -22.253 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -15.028 9.972 -22.654 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -15.329 11.153 -19.830 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -16.713 10.496 -20.735 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -16.336 9.875 -19.111 1.00 0.00 H new ATOM 830 N GLU A 60 -15.827 6.798 -18.885 1.00 0.00 N ATOM 831 CA GLU A 60 -16.362 6.392 -17.630 1.00 0.00 C ATOM 832 C GLU A 60 -15.635 7.119 -16.514 1.00 0.00 C ATOM 833 O GLU A 60 -14.430 6.925 -16.309 1.00 0.00 O ATOM 834 CB GLU A 60 -16.224 4.884 -17.462 1.00 0.00 C ATOM 835 CG GLU A 60 -16.761 4.366 -16.146 1.00 0.00 C ATOM 836 CD GLU A 60 -16.642 2.882 -16.035 1.00 0.00 C ATOM 837 OE1 GLU A 60 -15.525 2.373 -15.885 1.00 0.00 O1- ATOM 838 OE2 GLU A 60 -17.670 2.187 -16.118 1.00 0.00 O ATOM 0 H GLU A 60 -14.850 6.540 -19.024 1.00 0.00 H new ATOM 0 HA GLU A 60 -17.422 6.645 -17.590 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.748 4.387 -18.279 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.172 4.613 -17.547 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.220 4.835 -15.324 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -17.807 4.654 -16.044 1.00 0.00 H new ATOM 845 N ALA A 61 -16.342 7.973 -15.802 1.00 0.00 N ATOM 846 CA ALA A 61 -15.727 8.659 -14.689 1.00 0.00 C ATOM 847 C ALA A 61 -15.861 7.778 -13.463 1.00 0.00 C ATOM 848 O ALA A 61 -16.768 7.931 -12.678 1.00 0.00 O ATOM 849 CB ALA A 61 -16.345 10.036 -14.462 1.00 0.00 C ATOM 0 H ALA A 61 -17.321 8.204 -15.970 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.673 8.835 -14.904 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -15.855 10.520 -13.617 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.213 10.646 -15.356 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -17.409 9.927 -14.251 1.00 0.00 H new ATOM 855 N LYS A 62 -15.003 6.801 -13.366 1.00 0.00 N ATOM 856 CA LYS A 62 -15.098 5.797 -12.323 1.00 0.00 C ATOM 857 C LYS A 62 -14.279 6.110 -11.089 1.00 0.00 C ATOM 858 O LYS A 62 -14.564 5.601 -10.009 1.00 0.00 O ATOM 859 CB LYS A 62 -14.660 4.448 -12.860 1.00 0.00 C ATOM 860 CG LYS A 62 -13.265 4.465 -13.471 1.00 0.00 C ATOM 861 CD LYS A 62 -12.814 3.080 -13.894 1.00 0.00 C ATOM 862 CE LYS A 62 -12.606 2.161 -12.690 1.00 0.00 C ATOM 863 NZ LYS A 62 -12.322 0.781 -13.104 1.00 0.00 N1+ ATOM 0 H LYS A 62 -14.217 6.671 -14.003 1.00 0.00 H new ATOM 0 HA LYS A 62 -16.145 5.786 -12.021 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -14.686 3.717 -12.051 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.375 4.115 -13.613 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.256 5.129 -14.335 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.558 4.872 -12.749 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.557 2.643 -14.561 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.885 3.156 -14.458 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.782 2.536 -12.084 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.497 2.177 -12.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.187 0.187 -12.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.120 0.415 -13.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.458 0.763 -13.683 1.00 0.00 H new ATOM 877 N ASP A 63 -13.300 6.948 -11.223 1.00 0.00 N ATOM 878 CA ASP A 63 -12.345 7.131 -10.177 1.00 0.00 C ATOM 879 C ASP A 63 -12.370 8.545 -9.696 1.00 0.00 C ATOM 880 O ASP A 63 -12.514 9.466 -10.491 1.00 0.00 O ATOM 881 CB ASP A 63 -10.973 6.726 -10.711 1.00 0.00 C ATOM 882 CG ASP A 63 -9.829 6.944 -9.765 1.00 0.00 C ATOM 883 OD1 ASP A 63 -9.573 6.079 -8.902 1.00 0.00 O1- ATOM 884 OD2 ASP A 63 -9.155 7.960 -9.896 1.00 0.00 O ATOM 0 H ASP A 63 -13.141 7.520 -12.053 1.00 0.00 H new ATOM 0 HA ASP A 63 -12.586 6.505 -9.317 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.003 5.671 -10.982 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.778 7.285 -11.626 1.00 0.00 H new ATOM 889 N GLN A 64 -12.207 8.717 -8.401 1.00 0.00 N ATOM 890 CA GLN A 64 -12.295 10.029 -7.758 1.00 0.00 C ATOM 891 C GLN A 64 -11.041 10.868 -7.932 1.00 0.00 C ATOM 892 O GLN A 64 -10.889 11.923 -7.317 1.00 0.00 O ATOM 893 CB GLN A 64 -12.686 9.883 -6.296 1.00 0.00 C ATOM 894 CG GLN A 64 -14.082 9.320 -6.121 1.00 0.00 C ATOM 895 CD GLN A 64 -14.471 9.131 -4.680 1.00 0.00 C ATOM 896 OE1 GLN A 64 -14.021 9.853 -3.798 1.00 0.00 O ATOM 897 NE2 GLN A 64 -15.307 8.164 -4.433 1.00 0.00 N ATOM 0 H GLN A 64 -12.009 7.953 -7.755 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.084 10.581 -8.269 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -11.970 9.232 -5.795 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -12.627 10.856 -5.809 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.798 9.988 -6.599 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -14.147 8.362 -6.636 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.658 7.586 -5.196 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.611 7.985 -3.476 1.00 0.00 H new ATOM 906 N ASN A 65 -10.159 10.407 -8.772 1.00 0.00 N ATOM 907 CA ASN A 65 -8.972 11.162 -9.137 1.00 0.00 C ATOM 908 C ASN A 65 -9.049 11.387 -10.647 1.00 0.00 C ATOM 909 O ASN A 65 -8.165 11.965 -11.285 1.00 0.00 O ATOM 910 CB ASN A 65 -7.713 10.376 -8.741 1.00 0.00 C ATOM 911 CG ASN A 65 -6.409 11.109 -8.985 1.00 0.00 C ATOM 912 OD1 ASN A 65 -6.338 12.327 -8.916 1.00 0.00 O ATOM 913 ND2 ASN A 65 -5.367 10.361 -9.259 1.00 0.00 N ATOM 0 H ASN A 65 -10.233 9.498 -9.229 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.921 12.119 -8.618 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.778 10.120 -7.684 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.697 9.438 -9.296 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.458 10.793 -9.423 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.466 9.347 -9.308 1.00 0.00 H new ATOM 920 N CYS A 66 -10.176 10.943 -11.182 1.00 0.00 N ATOM 921 CA CYS A 66 -10.538 11.031 -12.573 1.00 0.00 C ATOM 922 C CYS A 66 -9.626 10.228 -13.486 1.00 0.00 C ATOM 923 O CYS A 66 -8.905 10.775 -14.318 1.00 0.00 O ATOM 924 CB CYS A 66 -10.702 12.478 -13.027 1.00 0.00 C ATOM 925 SG CYS A 66 -11.881 13.416 -11.998 1.00 0.00 S ATOM 0 H CYS A 66 -10.896 10.489 -10.620 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.516 10.559 -12.662 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -9.731 12.974 -13.002 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -11.040 12.492 -14.063 1.00 0.00 H new ATOM 930 N LYS A 67 -9.580 8.929 -13.243 1.00 0.00 N ATOM 931 CA LYS A 67 -8.929 8.004 -14.107 1.00 0.00 C ATOM 932 C LYS A 67 -9.788 7.907 -15.358 1.00 0.00 C ATOM 933 O LYS A 67 -10.873 7.320 -15.326 1.00 0.00 O ATOM 934 CB LYS A 67 -8.872 6.640 -13.413 1.00 0.00 C ATOM 935 CG LYS A 67 -7.859 5.630 -13.910 1.00 0.00 C ATOM 936 CD LYS A 67 -6.482 6.174 -13.749 1.00 0.00 C ATOM 937 CE LYS A 67 -6.001 6.800 -15.032 1.00 0.00 C ATOM 938 NZ LYS A 67 -4.746 7.564 -14.861 1.00 0.00 N1+ ATOM 0 H LYS A 67 -10.006 8.497 -12.423 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.914 8.318 -14.352 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.680 6.812 -12.354 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.860 6.186 -13.488 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.959 4.698 -13.354 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.048 5.398 -14.958 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.470 6.916 -12.950 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.803 5.375 -13.452 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.847 6.019 -15.777 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.775 7.463 -15.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.461 7.973 -15.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.896 8.328 -14.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.997 6.929 -14.517 1.00 0.00 H new ATOM 952 N VAL A 68 -9.352 8.530 -16.413 1.00 0.00 N ATOM 953 CA VAL A 68 -10.142 8.567 -17.613 1.00 0.00 C ATOM 954 C VAL A 68 -10.004 7.289 -18.458 1.00 0.00 C ATOM 955 O VAL A 68 -9.067 7.110 -19.267 1.00 0.00 O ATOM 956 CB VAL A 68 -9.943 9.879 -18.438 1.00 0.00 C ATOM 957 CG1 VAL A 68 -8.494 10.091 -18.881 1.00 0.00 C ATOM 958 CG2 VAL A 68 -10.897 9.917 -19.615 1.00 0.00 C ATOM 0 H VAL A 68 -8.458 9.018 -16.470 1.00 0.00 H new ATOM 0 HA VAL A 68 -11.181 8.590 -17.285 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.177 10.712 -17.775 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.419 11.018 -19.450 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.850 10.151 -18.003 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.179 9.256 -19.506 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.744 10.838 -20.178 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.710 9.060 -20.263 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -11.924 9.880 -19.252 1.00 0.00 H new ATOM 968 N ILE A 69 -10.895 6.382 -18.205 1.00 0.00 N ATOM 969 CA ILE A 69 -10.969 5.141 -18.918 1.00 0.00 C ATOM 970 C ILE A 69 -12.322 5.112 -19.582 1.00 0.00 C ATOM 971 O ILE A 69 -13.289 5.654 -19.051 1.00 0.00 O ATOM 972 CB ILE A 69 -10.792 3.923 -17.961 1.00 0.00 C ATOM 973 CG1 ILE A 69 -9.470 4.062 -17.212 1.00 0.00 C ATOM 974 CG2 ILE A 69 -10.795 2.608 -18.749 1.00 0.00 C ATOM 975 CD1 ILE A 69 -9.276 3.068 -16.089 1.00 0.00 C ATOM 0 H ILE A 69 -11.607 6.484 -17.482 1.00 0.00 H new ATOM 0 HA ILE A 69 -10.167 5.069 -19.653 1.00 0.00 H new ATOM 0 HB ILE A 69 -11.623 3.907 -17.256 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.651 3.952 -17.923 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -9.403 5.070 -16.803 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -10.670 1.772 -18.061 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -11.742 2.504 -19.279 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -9.975 2.612 -19.467 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -8.311 3.241 -15.613 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -10.071 3.191 -15.353 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -9.307 2.055 -16.490 1.00 0.00 H new ATOM 987 N LEU A 70 -12.385 4.557 -20.738 1.00 0.00 N ATOM 988 CA LEU A 70 -13.602 4.538 -21.493 1.00 0.00 C ATOM 989 C LEU A 70 -14.432 3.324 -21.149 1.00 0.00 C ATOM 990 O LEU A 70 -14.061 2.494 -20.316 1.00 0.00 O ATOM 991 CB LEU A 70 -13.305 4.528 -22.981 1.00 0.00 C ATOM 992 CG LEU A 70 -12.310 5.550 -23.504 1.00 0.00 C ATOM 993 CD1 LEU A 70 -12.022 5.317 -24.977 1.00 0.00 C ATOM 994 CD2 LEU A 70 -12.798 6.955 -23.282 1.00 0.00 C ATOM 0 H LEU A 70 -11.596 4.100 -21.196 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.162 5.438 -21.238 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.938 3.536 -23.244 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.246 4.671 -23.513 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.384 5.423 -22.944 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.307 6.060 -25.330 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.605 4.319 -25.113 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.947 5.404 -25.547 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.062 7.661 -23.668 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.745 7.098 -23.802 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.941 7.126 -22.215 1.00 0.00 H new ATOM 1006 N THR A 71 -15.511 3.210 -21.841 1.00 0.00 N ATOM 1007 CA THR A 71 -16.492 2.146 -21.651 1.00 0.00 C ATOM 1008 C THR A 71 -16.025 0.820 -22.243 1.00 0.00 C ATOM 1009 O THR A 71 -16.419 -0.266 -21.796 1.00 0.00 O ATOM 1010 CB THR A 71 -17.829 2.556 -22.266 1.00 0.00 C ATOM 1011 OG1 THR A 71 -17.605 3.121 -23.582 1.00 0.00 O ATOM 1012 CG2 THR A 71 -18.527 3.564 -21.386 1.00 0.00 C ATOM 0 H THR A 71 -15.763 3.864 -22.583 1.00 0.00 H new ATOM 0 HA THR A 71 -16.612 1.997 -20.578 1.00 0.00 H new ATOM 0 HB THR A 71 -18.463 1.674 -22.353 1.00 0.00 H new ATOM 0 HG1 THR A 71 -18.463 3.382 -23.976 1.00 0.00 H new ATOM 0 HG21 THR A 71 -19.478 3.846 -21.839 1.00 0.00 H new ATOM 0 HG22 THR A 71 -18.708 3.126 -20.404 1.00 0.00 H new ATOM 0 HG23 THR A 71 -17.900 4.449 -21.279 1.00 0.00 H new ATOM 1020 N ASN A 72 -15.178 0.909 -23.232 1.00 0.00 N ATOM 1021 CA ASN A 72 -14.596 -0.262 -23.868 1.00 0.00 C ATOM 1022 C ASN A 72 -13.448 -0.809 -23.042 1.00 0.00 C ATOM 1023 O ASN A 72 -12.872 -1.849 -23.375 1.00 0.00 O ATOM 1024 CB ASN A 72 -14.119 0.040 -25.303 1.00 0.00 C ATOM 1025 CG ASN A 72 -13.286 1.307 -25.408 1.00 0.00 C ATOM 1026 OD1 ASN A 72 -12.652 1.736 -24.448 1.00 0.00 O ATOM 1027 ND2 ASN A 72 -13.259 1.890 -26.572 1.00 0.00 N ATOM 0 H ASN A 72 -14.865 1.795 -23.628 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.381 -1.016 -23.929 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.532 -0.803 -25.668 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -14.988 0.130 -25.955 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -12.698 2.731 -26.708 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.798 1.506 -27.348 1.00 0.00 H new ATOM 1034 N GLY A 73 -13.100 -0.091 -21.985 1.00 0.00 N ATOM 1035 CA GLY A 73 -12.065 -0.516 -21.095 1.00 0.00 C ATOM 1036 C GLY A 73 -10.737 0.030 -21.510 1.00 0.00 C ATOM 1037 O GLY A 73 -9.705 -0.357 -20.975 1.00 0.00 O ATOM 0 H GLY A 73 -13.534 0.797 -21.733 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.296 -0.187 -20.082 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.023 -1.605 -21.075 1.00 0.00 H new ATOM 1041 N LYS A 74 -10.742 0.930 -22.462 1.00 0.00 N ATOM 1042 CA LYS A 74 -9.523 1.470 -22.945 1.00 0.00 C ATOM 1043 C LYS A 74 -9.278 2.827 -22.352 1.00 0.00 C ATOM 1044 O LYS A 74 -10.215 3.546 -22.022 1.00 0.00 O ATOM 1045 CB LYS A 74 -9.507 1.530 -24.475 1.00 0.00 C ATOM 1046 CG LYS A 74 -9.701 0.180 -25.160 1.00 0.00 C ATOM 1047 CD LYS A 74 -8.639 -0.821 -24.732 1.00 0.00 C ATOM 1048 CE LYS A 74 -8.806 -2.157 -25.431 1.00 0.00 C ATOM 1049 NZ LYS A 74 -8.617 -2.050 -26.889 1.00 0.00 N1+ ATOM 0 H LYS A 74 -11.583 1.295 -22.909 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.715 0.808 -22.635 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.292 2.209 -24.808 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.558 1.956 -24.800 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.689 -0.212 -24.920 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.664 0.311 -26.241 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.650 -0.418 -24.952 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.691 -0.967 -23.653 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.089 -2.870 -25.025 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.800 -2.552 -25.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.538 -3.002 -27.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.431 -1.559 -27.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.748 -1.514 -27.088 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.034 3.154 -22.186 1.00 0.00 N ATOM 1064 CA GLN A 75 -7.645 4.435 -21.688 1.00 0.00 C ATOM 1065 C GLN A 75 -7.862 5.456 -22.764 1.00 0.00 C ATOM 1066 O GLN A 75 -7.606 5.193 -23.960 1.00 0.00 O ATOM 1067 CB GLN A 75 -6.175 4.464 -21.214 1.00 0.00 C ATOM 1068 CG GLN A 75 -5.884 3.752 -19.885 1.00 0.00 C ATOM 1069 CD GLN A 75 -6.203 2.274 -19.900 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -7.311 1.864 -19.574 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -5.251 1.468 -20.270 1.00 0.00 N ATOM 0 H GLN A 75 -7.253 2.532 -22.395 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.259 4.661 -20.816 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -5.555 4.013 -21.989 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -5.864 5.505 -21.122 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -4.831 3.884 -19.636 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -6.461 4.230 -19.094 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.340 1.842 -20.535 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -5.416 0.462 -20.295 1.00 0.00 H new ATOM 1080 N ALA A 76 -8.354 6.577 -22.358 1.00 0.00 N ATOM 1081 CA ALA A 76 -8.630 7.662 -23.225 1.00 0.00 C ATOM 1082 C ALA A 76 -7.322 8.331 -23.657 1.00 0.00 C ATOM 1083 O ALA A 76 -6.259 8.097 -23.031 1.00 0.00 O ATOM 1084 CB ALA A 76 -9.534 8.640 -22.499 1.00 0.00 C ATOM 0 H ALA A 76 -8.581 6.765 -21.382 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.134 7.311 -24.125 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.757 9.483 -23.153 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.462 8.140 -22.221 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.033 9.000 -21.600 1.00 0.00 H new ATOM 1090 N PRO A 77 -7.364 9.138 -24.740 1.00 0.00 N ATOM 1091 CA PRO A 77 -6.199 9.866 -25.248 1.00 0.00 C ATOM 1092 C PRO A 77 -5.516 10.677 -24.155 1.00 0.00 C ATOM 1093 O PRO A 77 -6.168 11.174 -23.225 1.00 0.00 O ATOM 1094 CB PRO A 77 -6.801 10.809 -26.279 1.00 0.00 C ATOM 1095 CG PRO A 77 -8.032 10.138 -26.741 1.00 0.00 C ATOM 1096 CD PRO A 77 -8.559 9.395 -25.556 1.00 0.00 C ATOM 0 HA PRO A 77 -5.438 9.194 -25.645 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.023 11.782 -25.841 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.112 10.981 -27.106 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.760 10.863 -27.104 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.821 9.458 -27.567 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.296 9.984 -25.010 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.048 8.467 -25.852 1.00 0.00 H new ATOM 1104 N ASP A 78 -4.226 10.834 -24.275 1.00 0.00 N ATOM 1105 CA ASP A 78 -3.440 11.519 -23.265 1.00 0.00 C ATOM 1106 C ASP A 78 -3.662 13.030 -23.318 1.00 0.00 C ATOM 1107 O ASP A 78 -3.431 13.745 -22.345 1.00 0.00 O ATOM 1108 CB ASP A 78 -1.958 11.171 -23.409 1.00 0.00 C ATOM 1109 CG ASP A 78 -1.113 11.727 -22.287 1.00 0.00 C ATOM 1110 OD1 ASP A 78 -1.075 11.116 -21.190 1.00 0.00 O ATOM 1111 OD2 ASP A 78 -0.443 12.757 -22.484 1.00 0.00 O1- ATOM 0 H ASP A 78 -3.684 10.495 -25.070 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.775 11.176 -22.286 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.846 10.087 -23.439 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.590 11.556 -24.360 1.00 0.00 H new ATOM 1116 N TRP A 79 -4.146 13.505 -24.456 1.00 0.00 N ATOM 1117 CA TRP A 79 -4.451 14.917 -24.634 1.00 0.00 C ATOM 1118 C TRP A 79 -5.829 15.264 -24.067 1.00 0.00 C ATOM 1119 O TRP A 79 -6.252 16.408 -24.097 1.00 0.00 O ATOM 1120 CB TRP A 79 -4.343 15.324 -26.117 1.00 0.00 C ATOM 1121 CG TRP A 79 -5.211 14.531 -27.046 1.00 0.00 C ATOM 1122 CD1 TRP A 79 -4.808 13.514 -27.825 1.00 0.00 C ATOM 1123 CD2 TRP A 79 -6.622 14.691 -27.288 1.00 0.00 C ATOM 1124 NE1 TRP A 79 -5.862 13.014 -28.537 1.00 0.00 N ATOM 1125 CE2 TRP A 79 -6.987 13.718 -28.222 1.00 0.00 C ATOM 1126 CE3 TRP A 79 -7.606 15.554 -26.799 1.00 0.00 C ATOM 1127 CZ2 TRP A 79 -8.285 13.580 -28.682 1.00 0.00 C ATOM 1128 CZ3 TRP A 79 -8.889 15.416 -27.256 1.00 0.00 C ATOM 1129 CH2 TRP A 79 -9.221 14.434 -28.189 1.00 0.00 C ATOM 0 H TRP A 79 -4.337 12.929 -25.275 1.00 0.00 H new ATOM 0 HA TRP A 79 -3.710 15.489 -24.075 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -4.602 16.379 -26.211 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -3.305 15.221 -26.434 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -3.795 13.144 -27.881 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -5.815 12.239 -29.198 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.359 16.316 -26.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -8.545 12.822 -29.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -9.658 16.079 -26.888 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.243 14.350 -28.527 1.00 0.00 H new ATOM 1140 N LEU A 80 -6.538 14.265 -23.611 1.00 0.00 N ATOM 1141 CA LEU A 80 -7.809 14.469 -22.984 1.00 0.00 C ATOM 1142 C LEU A 80 -7.537 14.606 -21.497 1.00 0.00 C ATOM 1143 O LEU A 80 -6.930 13.717 -20.893 1.00 0.00 O ATOM 1144 CB LEU A 80 -8.748 13.276 -23.257 1.00 0.00 C ATOM 1145 CG LEU A 80 -10.185 13.424 -22.737 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -10.887 14.607 -23.393 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -10.974 12.147 -22.960 1.00 0.00 C ATOM 0 H LEU A 80 -6.247 13.289 -23.666 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.302 15.358 -23.377 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.787 13.107 -24.333 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.310 12.384 -22.810 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.133 13.613 -21.665 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.903 14.688 -23.006 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.340 15.523 -23.171 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.921 14.457 -24.472 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.989 12.276 -22.584 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.008 11.922 -24.026 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.492 11.325 -22.431 1.00 0.00 H new ATOM 1159 N ALA A 81 -7.949 15.686 -20.914 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.627 15.940 -19.532 1.00 0.00 C ATOM 1161 C ALA A 81 -8.866 15.920 -18.693 1.00 0.00 C ATOM 1162 O ALA A 81 -9.956 16.203 -19.185 1.00 0.00 O ATOM 1163 CB ALA A 81 -6.895 17.265 -19.389 1.00 0.00 C ATOM 0 H ALA A 81 -8.508 16.410 -21.366 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.966 15.149 -19.179 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.660 17.440 -18.339 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.971 17.235 -19.967 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.528 18.072 -19.758 1.00 0.00 H new ATOM 1169 N ALA A 82 -8.705 15.571 -17.442 1.00 0.00 N ATOM 1170 CA ALA A 82 -9.803 15.509 -16.501 1.00 0.00 C ATOM 1171 C ALA A 82 -9.299 15.746 -15.088 1.00 0.00 C ATOM 1172 O ALA A 82 -8.346 15.100 -14.649 1.00 0.00 O ATOM 1173 CB ALA A 82 -10.498 14.153 -16.582 1.00 0.00 C ATOM 0 H ALA A 82 -7.802 15.319 -17.041 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.520 16.288 -16.758 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.321 14.123 -15.868 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.886 14.002 -17.590 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.784 13.364 -16.346 1.00 0.00 H new ATOM 1179 N GLU A 83 -9.934 16.647 -14.374 1.00 0.00 N ATOM 1180 CA GLU A 83 -9.566 16.923 -13.014 1.00 0.00 C ATOM 1181 C GLU A 83 -10.811 16.823 -12.140 1.00 0.00 C ATOM 1182 O GLU A 83 -11.917 17.133 -12.597 1.00 0.00 O ATOM 1183 CB GLU A 83 -8.877 18.296 -12.866 1.00 0.00 C ATOM 1184 CG GLU A 83 -9.760 19.508 -13.099 1.00 0.00 C ATOM 1185 CD GLU A 83 -8.982 20.797 -13.010 1.00 0.00 C ATOM 1186 OE1 GLU A 83 -8.766 21.302 -11.906 1.00 0.00 O ATOM 1187 OE2 GLU A 83 -8.543 21.320 -14.046 1.00 0.00 O1- ATOM 0 H GLU A 83 -10.715 17.204 -14.722 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.833 16.184 -12.689 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.457 18.364 -11.863 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.042 18.339 -13.565 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.227 19.433 -14.081 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.564 19.518 -12.363 1.00 0.00 H new ATOM 1194 N PRO A 84 -10.660 16.321 -10.922 1.00 0.00 N ATOM 1195 CA PRO A 84 -11.765 16.132 -9.981 1.00 0.00 C ATOM 1196 C PRO A 84 -12.488 17.436 -9.618 1.00 0.00 C ATOM 1197 O PRO A 84 -11.855 18.490 -9.375 1.00 0.00 O ATOM 1198 CB PRO A 84 -11.074 15.516 -8.761 1.00 0.00 C ATOM 1199 CG PRO A 84 -9.650 15.845 -8.917 1.00 0.00 C ATOM 1200 CD PRO A 84 -9.404 15.830 -10.367 1.00 0.00 C ATOM 0 HA PRO A 84 -12.556 15.511 -10.401 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.473 15.926 -7.833 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -11.227 14.437 -8.725 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.423 16.822 -8.490 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -9.020 15.118 -8.404 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.565 16.470 -10.640 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -9.170 14.828 -10.726 1.00 0.00 H new ATOM 1208 N TYR A 85 -13.795 17.360 -9.604 1.00 0.00 N ATOM 1209 CA TYR A 85 -14.651 18.470 -9.312 1.00 0.00 C ATOM 1210 C TYR A 85 -15.398 18.203 -8.006 1.00 0.00 C ATOM 1211 O TYR A 85 -16.432 17.459 -8.012 1.00 0.00 O ATOM 1212 CB TYR A 85 -15.627 18.696 -10.474 1.00 0.00 C ATOM 1213 CG TYR A 85 -16.553 19.894 -10.334 1.00 0.00 C ATOM 1214 CD1 TYR A 85 -16.111 21.170 -10.647 1.00 0.00 C ATOM 1215 CD2 TYR A 85 -17.868 19.746 -9.912 1.00 0.00 C ATOM 1216 CE1 TYR A 85 -16.948 22.261 -10.542 1.00 0.00 C ATOM 1217 CE2 TYR A 85 -18.710 20.832 -9.809 1.00 0.00 C ATOM 1218 CZ TYR A 85 -18.246 22.086 -10.123 1.00 0.00 C ATOM 1219 OH TYR A 85 -19.089 23.175 -10.022 1.00 0.00 O ATOM 1220 OXT TYR A 85 -14.961 18.709 -6.966 1.00 0.00 O1- ATOM 0 H TYR A 85 -14.302 16.497 -9.802 1.00 0.00 H new ATOM 0 HA TYR A 85 -14.056 19.376 -9.192 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -15.050 18.811 -11.392 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -16.237 17.800 -10.591 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -15.093 21.312 -10.979 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -18.237 18.763 -9.660 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -16.586 23.248 -10.788 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -19.731 20.698 -9.483 1.00 0.00 H new ATOM 0 HH TYR A 85 -19.971 22.879 -9.713 1.00 0.00 H new