USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=13 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 Set 1.1: A 64 GLN : amide:sc= -0.508 X(o=0.63,f=0.69) USER MOD Set 1.2: A 65 ASN : amide:sc= 1.13 K(o=0.63,f=-0.15) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.761 K(o=-0.76,f=0.06) USER MOD Single : A 35 THR OG1 : rot -42:sc= 0.048 USER MOD Single : A 40 MET CE :methyl 168:sc= -0.0445 (180deg=-0.297) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -32:sc= 1.21 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -15:sc= 1.18 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 55 HIS : no HD1:sc= -0.0486 K(o=-0.049,f=-2.2!) USER MOD Single : A 62 LYS NZ :NH3+ 167:sc= 1.29 (180deg=1.15) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0456 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0208) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N ALA A 22 -14.945 12.766 -4.805 1.00 0.00 N ATOM 225 CA ALA A 22 -15.202 13.641 -5.933 1.00 0.00 C ATOM 226 C ALA A 22 -16.634 13.421 -6.386 1.00 0.00 C ATOM 227 O ALA A 22 -17.205 12.343 -6.147 1.00 0.00 O ATOM 228 CB ALA A 22 -14.228 13.351 -7.068 1.00 0.00 C ATOM 0 HA ALA A 22 -15.061 14.681 -5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.436 14.017 -7.905 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.207 13.512 -6.721 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.343 12.316 -7.390 1.00 0.00 H new ATOM 234 N ARG A 23 -17.250 14.411 -6.968 1.00 0.00 N ATOM 235 CA ARG A 23 -18.612 14.231 -7.404 1.00 0.00 C ATOM 236 C ARG A 23 -18.679 14.247 -8.911 1.00 0.00 C ATOM 237 O ARG A 23 -19.489 13.537 -9.524 1.00 0.00 O ATOM 238 CB ARG A 23 -19.572 15.272 -6.796 1.00 0.00 C ATOM 239 CG ARG A 23 -21.044 14.838 -6.815 1.00 0.00 C ATOM 240 CD ARG A 23 -21.358 13.780 -5.726 1.00 0.00 C ATOM 241 NE ARG A 23 -20.379 12.672 -5.694 1.00 0.00 N ATOM 242 CZ ARG A 23 -20.616 11.393 -5.991 1.00 0.00 C ATOM 243 NH1 ARG A 23 -21.845 10.966 -6.247 1.00 0.00 N1+ ATOM 244 NH2 ARG A 23 -19.608 10.532 -6.008 1.00 0.00 N ATOM 0 H ARG A 23 -16.847 15.330 -7.150 1.00 0.00 H new ATOM 0 HA ARG A 23 -18.945 13.258 -7.042 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -19.274 15.470 -5.766 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -19.472 16.209 -7.343 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -21.680 15.710 -6.665 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -21.288 14.430 -7.796 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -21.379 14.266 -4.751 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -22.354 13.372 -5.900 1.00 0.00 H new ATOM 0 HE ARG A 23 -19.427 12.910 -5.417 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -22.628 11.619 -6.219 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -22.007 9.985 -6.472 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.662 10.850 -5.795 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.778 9.552 -6.234 1.00 0.00 H new ATOM 258 N PHE A 24 -17.823 15.025 -9.514 1.00 0.00 N ATOM 259 CA PHE A 24 -17.762 15.115 -10.946 1.00 0.00 C ATOM 260 C PHE A 24 -16.322 15.098 -11.372 1.00 0.00 C ATOM 261 O PHE A 24 -15.428 15.183 -10.551 1.00 0.00 O ATOM 262 CB PHE A 24 -18.428 16.413 -11.481 1.00 0.00 C ATOM 263 CG PHE A 24 -19.916 16.550 -11.233 1.00 0.00 C ATOM 264 CD1 PHE A 24 -20.398 17.102 -10.053 1.00 0.00 C ATOM 265 CD2 PHE A 24 -20.828 16.136 -12.186 1.00 0.00 C ATOM 266 CE1 PHE A 24 -21.756 17.234 -9.834 1.00 0.00 C ATOM 267 CE2 PHE A 24 -22.187 16.267 -11.973 1.00 0.00 C ATOM 268 CZ PHE A 24 -22.651 16.815 -10.795 1.00 0.00 C ATOM 0 H PHE A 24 -17.148 15.614 -9.026 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.306 14.265 -11.358 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -17.925 17.268 -11.029 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -18.253 16.471 -12.555 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -19.702 17.433 -9.296 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -20.473 15.704 -13.110 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -22.116 17.665 -8.911 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -22.886 15.940 -12.729 1.00 0.00 H new ATOM 0 HZ PHE A 24 -23.713 16.915 -10.626 1.00 0.00 H new ATOM 278 N CYS A 25 -16.111 14.925 -12.617 1.00 0.00 N ATOM 279 CA CYS A 25 -14.825 15.070 -13.205 1.00 0.00 C ATOM 280 C CYS A 25 -14.929 16.101 -14.305 1.00 0.00 C ATOM 281 O CYS A 25 -15.904 16.101 -15.077 1.00 0.00 O ATOM 282 CB CYS A 25 -14.345 13.745 -13.771 1.00 0.00 C ATOM 283 SG CYS A 25 -14.063 12.456 -12.528 1.00 0.00 S ATOM 0 H CYS A 25 -16.843 14.671 -13.281 1.00 0.00 H new ATOM 0 HA CYS A 25 -14.105 15.390 -12.452 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -15.080 13.384 -14.491 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -13.418 13.913 -14.319 1.00 0.00 H new ATOM 288 N VAL A 26 -13.973 16.984 -14.356 1.00 0.00 N ATOM 289 CA VAL A 26 -13.945 18.053 -15.335 1.00 0.00 C ATOM 290 C VAL A 26 -12.986 17.653 -16.446 1.00 0.00 C ATOM 291 O VAL A 26 -11.829 17.362 -16.175 1.00 0.00 O ATOM 292 CB VAL A 26 -13.431 19.367 -14.701 1.00 0.00 C ATOM 293 CG1 VAL A 26 -13.729 20.544 -15.590 1.00 0.00 C ATOM 294 CG2 VAL A 26 -13.984 19.583 -13.306 1.00 0.00 C ATOM 0 H VAL A 26 -13.179 16.989 -13.716 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.954 18.214 -15.714 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.349 19.276 -14.604 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.358 21.456 -15.123 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.239 20.405 -16.554 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.806 20.624 -15.738 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.596 20.518 -12.901 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -15.072 19.631 -13.349 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.682 18.756 -12.663 1.00 0.00 H new ATOM 304 N TYR A 27 -13.468 17.611 -17.663 1.00 0.00 N ATOM 305 CA TYR A 27 -12.637 17.223 -18.791 1.00 0.00 C ATOM 306 C TYR A 27 -12.186 18.418 -19.576 1.00 0.00 C ATOM 307 O TYR A 27 -12.946 19.387 -19.755 1.00 0.00 O ATOM 308 CB TYR A 27 -13.355 16.236 -19.706 1.00 0.00 C ATOM 309 CG TYR A 27 -13.661 14.922 -19.039 1.00 0.00 C ATOM 310 CD1 TYR A 27 -14.774 14.773 -18.232 1.00 0.00 C ATOM 311 CD2 TYR A 27 -12.826 13.834 -19.207 1.00 0.00 C ATOM 312 CE1 TYR A 27 -15.043 13.579 -17.613 1.00 0.00 C ATOM 313 CE2 TYR A 27 -13.095 12.636 -18.591 1.00 0.00 C ATOM 314 CZ TYR A 27 -14.206 12.514 -17.794 1.00 0.00 C ATOM 315 OH TYR A 27 -14.475 11.322 -17.169 1.00 0.00 O ATOM 0 H TYR A 27 -14.432 17.840 -17.905 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.757 16.728 -18.379 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -14.285 16.684 -20.054 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.740 16.054 -20.587 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -15.442 15.609 -18.087 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.950 13.927 -19.831 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.915 13.481 -16.983 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.435 11.793 -18.733 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.784 10.667 -17.402 1.00 0.00 H new ATOM 325 N TYR A 28 -10.965 18.358 -20.029 1.00 0.00 N ATOM 326 CA TYR A 28 -10.367 19.405 -20.810 1.00 0.00 C ATOM 327 C TYR A 28 -9.674 18.829 -22.030 1.00 0.00 C ATOM 328 O TYR A 28 -9.183 17.693 -22.005 1.00 0.00 O ATOM 329 CB TYR A 28 -9.334 20.196 -20.000 1.00 0.00 C ATOM 330 CG TYR A 28 -9.855 20.958 -18.812 1.00 0.00 C ATOM 331 CD1 TYR A 28 -9.931 20.365 -17.563 1.00 0.00 C ATOM 332 CD2 TYR A 28 -10.248 22.278 -18.936 1.00 0.00 C ATOM 333 CE1 TYR A 28 -10.389 21.067 -16.474 1.00 0.00 C ATOM 334 CE2 TYR A 28 -10.702 22.987 -17.851 1.00 0.00 C ATOM 335 CZ TYR A 28 -10.773 22.377 -16.621 1.00 0.00 C ATOM 336 OH TYR A 28 -11.226 23.084 -15.527 1.00 0.00 O ATOM 0 H TYR A 28 -10.346 17.565 -19.863 1.00 0.00 H new ATOM 0 HA TYR A 28 -11.173 20.073 -21.112 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.569 19.502 -19.652 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.843 20.902 -20.670 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.626 19.336 -17.443 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.197 22.759 -19.902 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -10.447 20.590 -15.507 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -11.002 24.018 -17.963 1.00 0.00 H new ATOM 0 HH TYR A 28 -11.457 23.997 -15.800 1.00 0.00 H new ATOM 346 N ASP A 29 -9.653 19.613 -23.071 1.00 0.00 N ATOM 347 CA ASP A 29 -8.964 19.315 -24.315 1.00 0.00 C ATOM 348 C ASP A 29 -7.577 19.861 -24.200 1.00 0.00 C ATOM 349 O ASP A 29 -7.377 21.091 -24.279 1.00 0.00 O ATOM 350 CB ASP A 29 -9.678 20.016 -25.487 1.00 0.00 C ATOM 351 CG ASP A 29 -9.010 19.843 -26.859 1.00 0.00 C ATOM 352 OD1 ASP A 29 -8.054 20.596 -27.197 1.00 0.00 O1- ATOM 353 OD2 ASP A 29 -9.482 19.022 -27.651 1.00 0.00 O ATOM 0 H ASP A 29 -10.131 20.514 -23.086 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.954 18.240 -24.496 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.699 19.638 -25.548 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.745 21.081 -25.265 1.00 0.00 H new ATOM 358 N GLY A 30 -6.640 19.020 -23.916 1.00 0.00 N ATOM 359 CA GLY A 30 -5.306 19.485 -23.843 1.00 0.00 C ATOM 360 C GLY A 30 -4.504 18.892 -22.725 1.00 0.00 C ATOM 361 O GLY A 30 -5.026 18.555 -21.653 1.00 0.00 O ATOM 0 H GLY A 30 -6.774 18.025 -23.734 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.806 19.268 -24.787 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.318 20.569 -23.730 1.00 0.00 H new ATOM 365 N HIS A 31 -3.230 18.805 -22.969 1.00 0.00 N ATOM 366 CA HIS A 31 -2.272 18.264 -22.031 1.00 0.00 C ATOM 367 C HIS A 31 -1.469 19.396 -21.419 1.00 0.00 C ATOM 368 O HIS A 31 -0.600 19.179 -20.573 1.00 0.00 O ATOM 369 CB HIS A 31 -1.335 17.236 -22.725 1.00 0.00 C ATOM 370 CG HIS A 31 -0.498 17.776 -23.879 1.00 0.00 C ATOM 371 ND1 HIS A 31 0.876 17.690 -23.939 1.00 0.00 N ATOM 372 CD2 HIS A 31 -0.879 18.350 -25.052 1.00 0.00 C ATOM 373 CE1 HIS A 31 1.273 18.196 -25.111 1.00 0.00 C ATOM 374 NE2 HIS A 31 0.245 18.610 -25.823 1.00 0.00 N ATOM 0 H HIS A 31 -2.811 19.114 -23.846 1.00 0.00 H new ATOM 0 HA HIS A 31 -2.809 17.739 -21.241 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.661 16.822 -21.975 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -1.943 16.411 -23.097 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.897 18.569 -25.338 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.302 18.257 -25.432 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.270 19.034 -26.750 1.00 0.00 H new ATOM 382 N LEU A 32 -1.782 20.602 -21.845 1.00 0.00 N ATOM 383 CA LEU A 32 -1.110 21.771 -21.392 1.00 0.00 C ATOM 384 C LEU A 32 -2.113 22.605 -20.602 1.00 0.00 C ATOM 385 O LEU A 32 -3.026 23.204 -21.183 1.00 0.00 O ATOM 386 CB LEU A 32 -0.571 22.561 -22.590 1.00 0.00 C ATOM 387 CG LEU A 32 0.308 23.766 -22.274 1.00 0.00 C ATOM 388 CD1 LEU A 32 1.602 23.327 -21.618 1.00 0.00 C ATOM 389 CD2 LEU A 32 0.594 24.555 -23.533 1.00 0.00 C ATOM 0 H LEU A 32 -2.521 20.785 -22.524 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.263 21.509 -20.758 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.000 21.878 -23.219 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.420 22.904 -23.181 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.228 24.409 -21.576 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.215 24.202 -21.401 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.379 22.801 -20.690 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.144 22.663 -22.291 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.223 25.412 -23.290 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.110 23.919 -24.252 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.344 24.904 -23.965 1.00 0.00 H new ATOM 401 N PRO A 33 -1.965 22.632 -19.268 1.00 0.00 N ATOM 402 CA PRO A 33 -2.890 23.311 -18.339 1.00 0.00 C ATOM 403 C PRO A 33 -3.217 24.737 -18.743 1.00 0.00 C ATOM 404 O PRO A 33 -4.365 25.174 -18.662 1.00 0.00 O ATOM 405 CB PRO A 33 -2.115 23.313 -17.027 1.00 0.00 C ATOM 406 CG PRO A 33 -1.257 22.114 -17.109 1.00 0.00 C ATOM 407 CD PRO A 33 -0.863 21.983 -18.547 1.00 0.00 C ATOM 0 HA PRO A 33 -3.855 22.806 -18.303 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.521 24.220 -16.917 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.785 23.265 -16.169 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.379 22.219 -16.472 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.793 21.228 -16.769 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.090 22.472 -18.748 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.753 20.939 -18.839 1.00 0.00 H new ATOM 415 N ALA A 34 -2.222 25.428 -19.215 1.00 0.00 N ATOM 416 CA ALA A 34 -2.350 26.830 -19.583 1.00 0.00 C ATOM 417 C ALA A 34 -3.193 27.089 -20.843 1.00 0.00 C ATOM 418 O ALA A 34 -3.576 28.225 -21.084 1.00 0.00 O ATOM 419 CB ALA A 34 -0.988 27.453 -19.743 1.00 0.00 C ATOM 0 H ALA A 34 -1.288 25.044 -19.361 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.893 27.296 -18.761 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.098 28.502 -20.018 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.442 27.380 -18.803 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.437 26.929 -20.524 1.00 0.00 H new ATOM 425 N THR A 35 -3.472 26.084 -21.658 1.00 0.00 N ATOM 426 CA THR A 35 -4.252 26.370 -22.857 1.00 0.00 C ATOM 427 C THR A 35 -5.356 25.320 -23.098 1.00 0.00 C ATOM 428 O THR A 35 -6.054 25.353 -24.118 1.00 0.00 O ATOM 429 CB THR A 35 -3.319 26.521 -24.106 1.00 0.00 C ATOM 430 OG1 THR A 35 -3.973 27.276 -25.141 1.00 0.00 O ATOM 431 CG2 THR A 35 -2.896 25.160 -24.665 1.00 0.00 C ATOM 0 H THR A 35 -3.190 25.113 -21.527 1.00 0.00 H new ATOM 0 HA THR A 35 -4.758 27.322 -22.696 1.00 0.00 H new ATOM 0 HB THR A 35 -2.427 27.052 -23.775 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.908 26.991 -25.213 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.250 25.307 -25.530 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.356 24.604 -23.899 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.781 24.599 -24.964 1.00 0.00 H new ATOM 439 N ARG A 36 -5.542 24.429 -22.143 1.00 0.00 N ATOM 440 CA ARG A 36 -6.496 23.354 -22.304 1.00 0.00 C ATOM 441 C ARG A 36 -7.946 23.879 -22.239 1.00 0.00 C ATOM 442 O ARG A 36 -8.298 24.675 -21.358 1.00 0.00 O ATOM 443 CB ARG A 36 -6.210 22.236 -21.291 1.00 0.00 C ATOM 444 CG ARG A 36 -6.348 22.644 -19.837 1.00 0.00 C ATOM 445 CD ARG A 36 -5.966 21.510 -18.914 1.00 0.00 C ATOM 446 NE ARG A 36 -6.113 21.885 -17.509 1.00 0.00 N ATOM 447 CZ ARG A 36 -6.055 21.024 -16.474 1.00 0.00 C ATOM 448 NH1 ARG A 36 -5.663 19.761 -16.663 1.00 0.00 N1+ ATOM 449 NH2 ARG A 36 -6.346 21.445 -15.248 1.00 0.00 N ATOM 0 H ARG A 36 -5.046 24.430 -21.252 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.382 22.920 -23.297 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.888 21.406 -21.487 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.198 21.866 -21.455 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.715 23.508 -19.637 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.375 22.949 -19.638 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.590 20.642 -19.126 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.934 21.216 -19.106 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.271 22.870 -17.296 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.405 19.441 -17.597 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.622 19.116 -15.874 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.612 22.417 -15.092 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.303 20.796 -14.462 1.00 0.00 H new ATOM 463 N VAL A 37 -8.763 23.422 -23.163 1.00 0.00 N ATOM 464 CA VAL A 37 -10.135 23.913 -23.326 1.00 0.00 C ATOM 465 C VAL A 37 -11.089 23.099 -22.460 1.00 0.00 C ATOM 466 O VAL A 37 -10.956 21.897 -22.370 1.00 0.00 O ATOM 467 CB VAL A 37 -10.580 23.792 -24.823 1.00 0.00 C ATOM 468 CG1 VAL A 37 -11.970 24.371 -25.061 1.00 0.00 C ATOM 469 CG2 VAL A 37 -9.565 24.444 -25.752 1.00 0.00 C ATOM 0 H VAL A 37 -8.503 22.696 -23.831 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.163 24.959 -23.021 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.627 22.727 -25.051 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.234 24.264 -26.113 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.696 23.837 -24.449 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.975 25.427 -24.792 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.900 24.345 -26.784 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.469 25.501 -25.502 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.598 23.954 -25.636 1.00 0.00 H new ATOM 479 N LEU A 38 -12.027 23.757 -21.829 1.00 0.00 N ATOM 480 CA LEU A 38 -13.006 23.093 -20.983 1.00 0.00 C ATOM 481 C LEU A 38 -13.985 22.325 -21.874 1.00 0.00 C ATOM 482 O LEU A 38 -14.495 22.869 -22.849 1.00 0.00 O ATOM 483 CB LEU A 38 -13.723 24.169 -20.098 1.00 0.00 C ATOM 484 CG LEU A 38 -14.851 23.740 -19.108 1.00 0.00 C ATOM 485 CD1 LEU A 38 -16.177 23.445 -19.808 1.00 0.00 C ATOM 486 CD2 LEU A 38 -14.417 22.554 -18.280 1.00 0.00 C ATOM 0 H LEU A 38 -12.140 24.769 -21.882 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.532 22.376 -20.313 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.953 24.673 -19.514 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.149 24.912 -20.772 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.023 24.591 -18.450 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.922 23.152 -19.068 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.518 24.338 -20.332 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -16.038 22.635 -20.524 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.219 22.273 -17.598 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.190 21.715 -18.937 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.528 22.817 -17.706 1.00 0.00 H new ATOM 498 N LEU A 39 -14.226 21.074 -21.556 1.00 0.00 N ATOM 499 CA LEU A 39 -15.132 20.274 -22.345 1.00 0.00 C ATOM 500 C LEU A 39 -16.464 20.052 -21.646 1.00 0.00 C ATOM 501 O LEU A 39 -17.490 20.535 -22.125 1.00 0.00 O ATOM 502 CB LEU A 39 -14.488 18.942 -22.718 1.00 0.00 C ATOM 503 CG LEU A 39 -13.261 19.029 -23.620 1.00 0.00 C ATOM 504 CD1 LEU A 39 -12.667 17.659 -23.822 1.00 0.00 C ATOM 505 CD2 LEU A 39 -13.623 19.653 -24.964 1.00 0.00 C ATOM 0 H LEU A 39 -13.809 20.591 -20.760 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.340 20.831 -23.258 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.205 18.427 -21.800 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.237 18.324 -23.213 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.521 19.666 -23.136 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.792 17.733 -24.467 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.373 17.244 -22.858 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.406 17.007 -24.287 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.734 19.706 -25.592 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.380 19.042 -25.457 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.015 20.658 -24.805 1.00 0.00 H new ATOM 517 N MET A 40 -16.456 19.374 -20.495 1.00 0.00 N ATOM 518 CA MET A 40 -17.693 19.061 -19.768 1.00 0.00 C ATOM 519 C MET A 40 -17.392 18.429 -18.440 1.00 0.00 C ATOM 520 O MET A 40 -16.245 18.032 -18.164 1.00 0.00 O ATOM 521 CB MET A 40 -18.646 18.143 -20.573 1.00 0.00 C ATOM 522 CG MET A 40 -18.069 16.789 -20.926 1.00 0.00 C ATOM 523 SD MET A 40 -19.296 15.654 -21.613 1.00 0.00 S ATOM 524 CE MET A 40 -19.849 16.562 -23.056 1.00 0.00 C ATOM 0 H MET A 40 -15.607 19.031 -20.045 1.00 0.00 H new ATOM 0 HA MET A 40 -18.201 20.013 -19.613 1.00 0.00 H new ATOM 0 HB2 MET A 40 -19.559 17.995 -19.997 1.00 0.00 H new ATOM 0 HB3 MET A 40 -18.929 18.654 -21.493 1.00 0.00 H new ATOM 0 HG2 MET A 40 -17.261 16.921 -21.646 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.630 16.344 -20.033 1.00 0.00 H new ATOM 0 HE1 MET A 40 -20.443 15.906 -23.693 1.00 0.00 H new ATOM 0 HE2 MET A 40 -20.457 17.410 -22.741 1.00 0.00 H new ATOM 0 HE3 MET A 40 -18.984 16.922 -23.613 1.00 0.00 H new ATOM 534 N TYR A 41 -18.411 18.367 -17.629 1.00 0.00 N ATOM 535 CA TYR A 41 -18.371 17.774 -16.319 1.00 0.00 C ATOM 536 C TYR A 41 -19.167 16.474 -16.361 1.00 0.00 C ATOM 537 O TYR A 41 -20.284 16.453 -16.881 1.00 0.00 O ATOM 538 CB TYR A 41 -19.029 18.723 -15.303 1.00 0.00 C ATOM 539 CG TYR A 41 -18.397 20.103 -15.194 1.00 0.00 C ATOM 540 CD1 TYR A 41 -18.716 21.112 -16.100 1.00 0.00 C ATOM 541 CD2 TYR A 41 -17.499 20.400 -14.182 1.00 0.00 C ATOM 542 CE1 TYR A 41 -18.156 22.368 -16.000 1.00 0.00 C ATOM 543 CE2 TYR A 41 -16.933 21.660 -14.075 1.00 0.00 C ATOM 544 CZ TYR A 41 -17.264 22.638 -14.989 1.00 0.00 C ATOM 545 OH TYR A 41 -16.702 23.896 -14.890 1.00 0.00 O ATOM 0 H TYR A 41 -19.328 18.742 -17.871 1.00 0.00 H new ATOM 0 HA TYR A 41 -17.338 17.587 -16.026 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -20.079 18.843 -15.571 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -19.002 18.251 -14.321 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -19.416 20.906 -16.896 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -17.236 19.637 -13.465 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -18.417 23.136 -16.713 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.235 21.875 -13.279 1.00 0.00 H new ATOM 0 HH TYR A 41 -16.094 23.923 -14.122 1.00 0.00 H new ATOM 555 N VAL A 42 -18.601 15.401 -15.852 1.00 0.00 N ATOM 556 CA VAL A 42 -19.286 14.103 -15.814 1.00 0.00 C ATOM 557 C VAL A 42 -19.264 13.585 -14.395 1.00 0.00 C ATOM 558 O VAL A 42 -18.236 13.655 -13.738 1.00 0.00 O ATOM 559 CB VAL A 42 -18.603 13.058 -16.748 1.00 0.00 C ATOM 560 CG1 VAL A 42 -19.331 11.717 -16.730 1.00 0.00 C ATOM 561 CG2 VAL A 42 -18.502 13.586 -18.167 1.00 0.00 C ATOM 0 H VAL A 42 -17.662 15.391 -15.453 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.308 14.247 -16.164 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.597 12.893 -16.363 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -18.822 11.018 -17.394 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -19.333 11.318 -15.716 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -20.358 11.856 -17.067 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -18.022 12.839 -18.800 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -19.501 13.797 -18.549 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.910 14.501 -18.173 1.00 0.00 H new ATOM 571 N ARG A 43 -20.390 13.098 -13.919 1.00 0.00 N ATOM 572 CA ARG A 43 -20.506 12.609 -12.576 1.00 0.00 C ATOM 573 C ARG A 43 -19.823 11.266 -12.371 1.00 0.00 C ATOM 574 O ARG A 43 -19.858 10.369 -13.246 1.00 0.00 O ATOM 575 CB ARG A 43 -21.968 12.545 -12.152 1.00 0.00 C ATOM 576 CG ARG A 43 -22.176 11.942 -10.776 1.00 0.00 C ATOM 577 CD ARG A 43 -23.569 12.149 -10.294 1.00 0.00 C ATOM 578 NE ARG A 43 -24.575 11.567 -11.192 1.00 0.00 N ATOM 579 CZ ARG A 43 -25.738 11.024 -10.809 1.00 0.00 C ATOM 580 NH1 ARG A 43 -26.049 10.924 -9.522 1.00 0.00 N1+ ATOM 581 NH2 ARG A 43 -26.582 10.576 -11.719 1.00 0.00 N ATOM 0 H ARG A 43 -21.251 13.033 -14.462 1.00 0.00 H new ATOM 0 HA ARG A 43 -19.983 13.321 -11.938 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -22.386 13.552 -12.165 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -22.524 11.959 -12.884 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -21.956 10.875 -10.808 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -21.476 12.391 -10.071 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -23.675 11.708 -9.303 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -23.757 13.217 -10.189 1.00 0.00 H new ATOM 0 HE ARG A 43 -24.371 11.577 -12.191 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -25.399 11.263 -8.812 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -26.938 10.509 -9.243 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -26.348 10.644 -12.709 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -27.469 10.162 -11.432 1.00 0.00 H new ATOM 595 N ILE A 44 -19.236 11.143 -11.208 1.00 0.00 N ATOM 596 CA ILE A 44 -18.557 9.931 -10.766 1.00 0.00 C ATOM 597 C ILE A 44 -19.523 8.765 -10.809 1.00 0.00 C ATOM 598 O ILE A 44 -20.620 8.825 -10.235 1.00 0.00 O ATOM 599 CB ILE A 44 -18.018 10.076 -9.313 1.00 0.00 C ATOM 600 CG1 ILE A 44 -16.948 11.169 -9.233 1.00 0.00 C ATOM 601 CG2 ILE A 44 -17.472 8.745 -8.781 1.00 0.00 C ATOM 602 CD1 ILE A 44 -15.634 10.829 -9.899 1.00 0.00 C ATOM 0 H ILE A 44 -19.211 11.895 -10.519 1.00 0.00 H new ATOM 0 HA ILE A 44 -17.714 9.759 -11.436 1.00 0.00 H new ATOM 0 HB ILE A 44 -18.856 10.369 -8.681 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -17.344 12.077 -9.687 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -16.758 11.394 -8.184 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -17.104 8.883 -7.764 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -18.267 7.999 -8.781 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.656 8.405 -9.419 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.943 11.665 -9.788 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.208 9.941 -9.431 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.802 10.635 -10.958 1.00 0.00 H new ATOM 614 N GLY A 45 -19.140 7.749 -11.514 1.00 0.00 N ATOM 615 CA GLY A 45 -19.937 6.566 -11.594 1.00 0.00 C ATOM 616 C GLY A 45 -20.868 6.554 -12.781 1.00 0.00 C ATOM 617 O GLY A 45 -21.625 5.603 -12.953 1.00 0.00 O ATOM 0 H GLY A 45 -18.271 7.715 -12.048 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -19.281 5.697 -11.646 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -20.523 6.468 -10.680 1.00 0.00 H new ATOM 621 N THR A 46 -20.839 7.593 -13.600 1.00 0.00 N ATOM 622 CA THR A 46 -21.689 7.618 -14.771 1.00 0.00 C ATOM 623 C THR A 46 -20.861 7.758 -16.028 1.00 0.00 C ATOM 624 O THR A 46 -19.704 8.224 -15.983 1.00 0.00 O ATOM 625 CB THR A 46 -22.770 8.740 -14.708 1.00 0.00 C ATOM 626 OG1 THR A 46 -22.161 10.030 -14.533 1.00 0.00 O ATOM 627 CG2 THR A 46 -23.757 8.484 -13.575 1.00 0.00 C ATOM 0 H THR A 46 -20.247 8.414 -13.477 1.00 0.00 H new ATOM 0 HA THR A 46 -22.218 6.665 -14.793 1.00 0.00 H new ATOM 0 HB THR A 46 -23.309 8.728 -15.655 1.00 0.00 H new ATOM 0 HG1 THR A 46 -21.340 9.935 -14.006 1.00 0.00 H new ATOM 0 HG21 THR A 46 -24.500 9.281 -13.553 1.00 0.00 H new ATOM 0 HG22 THR A 46 -24.255 7.528 -13.735 1.00 0.00 H new ATOM 0 HG23 THR A 46 -23.223 8.460 -12.625 1.00 0.00 H new ATOM 635 N THR A 47 -21.423 7.338 -17.119 1.00 0.00 N ATOM 636 CA THR A 47 -20.777 7.441 -18.379 1.00 0.00 C ATOM 637 C THR A 47 -21.295 8.636 -19.116 1.00 0.00 C ATOM 638 O THR A 47 -22.432 9.073 -18.884 1.00 0.00 O ATOM 639 CB THR A 47 -21.031 6.208 -19.255 1.00 0.00 C ATOM 640 OG1 THR A 47 -22.456 6.005 -19.427 1.00 0.00 O ATOM 641 CG2 THR A 47 -20.406 4.961 -18.664 1.00 0.00 C ATOM 0 H THR A 47 -22.349 6.912 -17.154 1.00 0.00 H new ATOM 0 HA THR A 47 -19.708 7.527 -18.184 1.00 0.00 H new ATOM 0 HB THR A 47 -20.566 6.391 -20.224 1.00 0.00 H new ATOM 0 HG1 THR A 47 -22.609 5.217 -19.989 1.00 0.00 H new ATOM 0 HG21 THR A 47 -20.608 4.110 -19.314 1.00 0.00 H new ATOM 0 HG22 THR A 47 -19.329 5.101 -18.574 1.00 0.00 H new ATOM 0 HG23 THR A 47 -20.831 4.774 -17.678 1.00 0.00 H new ATOM 649 N ALA A 48 -20.486 9.146 -19.982 1.00 0.00 N ATOM 650 CA ALA A 48 -20.858 10.266 -20.827 1.00 0.00 C ATOM 651 C ALA A 48 -19.990 10.313 -22.056 1.00 0.00 C ATOM 652 O ALA A 48 -18.856 9.800 -22.058 1.00 0.00 O ATOM 653 CB ALA A 48 -20.771 11.581 -20.072 1.00 0.00 C ATOM 0 H ALA A 48 -19.537 8.806 -20.136 1.00 0.00 H new ATOM 0 HA ALA A 48 -21.894 10.120 -21.133 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -21.056 12.400 -20.733 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -21.445 11.554 -19.216 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.749 11.734 -19.724 1.00 0.00 H new ATOM 659 N THR A 49 -20.522 10.901 -23.088 1.00 0.00 N ATOM 660 CA THR A 49 -19.824 11.063 -24.321 1.00 0.00 C ATOM 661 C THR A 49 -19.107 12.414 -24.314 1.00 0.00 C ATOM 662 O THR A 49 -19.747 13.467 -24.261 1.00 0.00 O ATOM 663 CB THR A 49 -20.813 11.045 -25.504 1.00 0.00 C ATOM 664 OG1 THR A 49 -21.698 9.926 -25.381 1.00 0.00 O ATOM 665 CG2 THR A 49 -20.071 10.941 -26.832 1.00 0.00 C ATOM 0 H THR A 49 -21.467 11.285 -23.092 1.00 0.00 H new ATOM 0 HA THR A 49 -19.111 10.246 -24.431 1.00 0.00 H new ATOM 0 HB THR A 49 -21.380 11.976 -25.484 1.00 0.00 H new ATOM 0 HG1 THR A 49 -21.341 9.297 -24.720 1.00 0.00 H new ATOM 0 HG21 THR A 49 -20.790 10.930 -27.651 1.00 0.00 H new ATOM 0 HG22 THR A 49 -19.406 11.797 -26.945 1.00 0.00 H new ATOM 0 HG23 THR A 49 -19.486 10.022 -26.851 1.00 0.00 H new ATOM 673 N ILE A 50 -17.809 12.375 -24.347 1.00 0.00 N ATOM 674 CA ILE A 50 -17.008 13.572 -24.410 1.00 0.00 C ATOM 675 C ILE A 50 -16.740 13.793 -25.875 1.00 0.00 C ATOM 676 O ILE A 50 -16.677 12.840 -26.632 1.00 0.00 O ATOM 677 CB ILE A 50 -15.633 13.369 -23.721 1.00 0.00 C ATOM 678 CG1 ILE A 50 -15.768 12.656 -22.368 1.00 0.00 C ATOM 679 CG2 ILE A 50 -14.910 14.705 -23.549 1.00 0.00 C ATOM 680 CD1 ILE A 50 -16.562 13.407 -21.323 1.00 0.00 C ATOM 0 H ILE A 50 -17.268 11.510 -24.331 1.00 0.00 H new ATOM 0 HA ILE A 50 -17.523 14.397 -23.918 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.039 12.728 -24.373 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -16.238 11.686 -22.531 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.770 12.464 -21.975 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.948 14.538 -23.064 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -14.749 15.160 -24.526 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.516 15.370 -22.934 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.600 12.821 -20.404 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -16.084 14.366 -21.123 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -17.575 13.576 -21.688 1.00 0.00 H new ATOM 692 N THR A 51 -16.654 14.990 -26.293 1.00 0.00 N ATOM 693 CA THR A 51 -16.389 15.266 -27.681 1.00 0.00 C ATOM 694 C THR A 51 -15.378 16.392 -27.821 1.00 0.00 C ATOM 695 O THR A 51 -15.673 17.555 -27.503 1.00 0.00 O ATOM 696 CB THR A 51 -17.691 15.599 -28.435 1.00 0.00 C ATOM 697 OG1 THR A 51 -18.638 14.541 -28.200 1.00 0.00 O ATOM 698 CG2 THR A 51 -17.437 15.716 -29.936 1.00 0.00 C ATOM 0 H THR A 51 -16.761 15.816 -25.704 1.00 0.00 H new ATOM 0 HA THR A 51 -15.963 14.369 -28.130 1.00 0.00 H new ATOM 0 HB THR A 51 -18.076 16.553 -28.075 1.00 0.00 H new ATOM 0 HG1 THR A 51 -19.474 14.739 -28.672 1.00 0.00 H new ATOM 0 HG21 THR A 51 -18.371 15.951 -30.446 1.00 0.00 H new ATOM 0 HG22 THR A 51 -16.712 16.509 -30.122 1.00 0.00 H new ATOM 0 HG23 THR A 51 -17.046 14.771 -30.314 1.00 0.00 H new ATOM 706 N ALA A 52 -14.194 16.035 -28.253 1.00 0.00 N ATOM 707 CA ALA A 52 -13.122 16.981 -28.450 1.00 0.00 C ATOM 708 C ALA A 52 -12.449 16.698 -29.775 1.00 0.00 C ATOM 709 O ALA A 52 -12.168 15.547 -30.088 1.00 0.00 O ATOM 710 CB ALA A 52 -12.126 16.890 -27.316 1.00 0.00 C ATOM 0 H ALA A 52 -13.944 15.072 -28.480 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.527 17.993 -28.462 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.323 17.609 -27.478 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.627 17.111 -26.373 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.709 15.884 -27.278 1.00 0.00 H new ATOM 716 N ARG A 53 -12.233 17.747 -30.556 1.00 0.00 N ATOM 717 CA ARG A 53 -11.644 17.695 -31.918 1.00 0.00 C ATOM 718 C ARG A 53 -12.500 16.834 -32.839 1.00 0.00 C ATOM 719 O ARG A 53 -12.024 16.269 -33.826 1.00 0.00 O ATOM 720 CB ARG A 53 -10.223 17.151 -31.907 1.00 0.00 C ATOM 721 CG ARG A 53 -9.299 17.815 -30.925 1.00 0.00 C ATOM 722 CD ARG A 53 -7.868 17.390 -31.161 1.00 0.00 C ATOM 723 NE ARG A 53 -7.753 15.948 -31.465 1.00 0.00 N ATOM 724 CZ ARG A 53 -6.616 15.252 -31.512 1.00 0.00 C ATOM 725 NH1 ARG A 53 -5.496 15.761 -31.024 1.00 0.00 N1+ ATOM 726 NH2 ARG A 53 -6.631 14.024 -31.998 1.00 0.00 N ATOM 0 H ARG A 53 -12.465 18.696 -30.264 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.616 18.720 -32.288 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.259 16.084 -31.685 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.802 17.255 -32.907 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.381 18.898 -31.017 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.596 17.558 -29.908 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.452 17.967 -31.987 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.272 17.621 -30.278 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.618 15.441 -31.655 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.498 16.692 -30.608 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.631 15.222 -31.064 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.505 13.618 -32.332 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.768 13.481 -32.039 1.00 0.00 H new ATOM 740 N GLY A 54 -13.762 16.758 -32.518 1.00 0.00 N ATOM 741 CA GLY A 54 -14.680 15.939 -33.270 1.00 0.00 C ATOM 742 C GLY A 54 -14.598 14.469 -32.877 1.00 0.00 C ATOM 743 O GLY A 54 -15.234 13.621 -33.496 1.00 0.00 O ATOM 0 H GLY A 54 -14.184 17.257 -31.734 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -15.697 16.299 -33.113 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.467 16.041 -34.334 1.00 0.00 H new ATOM 747 N HIS A 55 -13.799 14.160 -31.873 1.00 0.00 N ATOM 748 CA HIS A 55 -13.674 12.799 -31.386 1.00 0.00 C ATOM 749 C HIS A 55 -14.642 12.597 -30.243 1.00 0.00 C ATOM 750 O HIS A 55 -14.579 13.318 -29.240 1.00 0.00 O ATOM 751 CB HIS A 55 -12.268 12.509 -30.841 1.00 0.00 C ATOM 752 CG HIS A 55 -11.116 12.512 -31.801 1.00 0.00 C ATOM 753 ND1 HIS A 55 -10.298 11.420 -31.994 1.00 0.00 N ATOM 754 CD2 HIS A 55 -10.574 13.513 -32.530 1.00 0.00 C ATOM 755 CE1 HIS A 55 -9.303 11.777 -32.801 1.00 0.00 C ATOM 756 NE2 HIS A 55 -9.420 13.047 -33.162 1.00 0.00 N ATOM 0 H HIS A 55 -13.223 14.839 -31.376 1.00 0.00 H new ATOM 0 HA HIS A 55 -13.878 12.133 -32.225 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.055 13.244 -30.065 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -12.294 11.533 -30.357 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -10.971 14.514 -32.611 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.507 11.120 -33.119 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -8.797 13.574 -33.774 1.00 0.00 H new ATOM 764 N GLU A 56 -15.530 11.661 -30.389 1.00 0.00 N ATOM 765 CA GLU A 56 -16.450 11.337 -29.339 1.00 0.00 C ATOM 766 C GLU A 56 -15.902 10.169 -28.553 1.00 0.00 C ATOM 767 O GLU A 56 -15.575 9.124 -29.126 1.00 0.00 O ATOM 768 CB GLU A 56 -17.809 11.000 -29.901 1.00 0.00 C ATOM 769 CG GLU A 56 -18.409 12.111 -30.730 1.00 0.00 C ATOM 770 CD GLU A 56 -19.777 11.774 -31.225 1.00 0.00 C ATOM 771 OE1 GLU A 56 -19.934 10.754 -31.918 1.00 0.00 O1- ATOM 772 OE2 GLU A 56 -20.729 12.509 -30.919 1.00 0.00 O ATOM 0 H GLU A 56 -15.638 11.102 -31.235 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.566 12.200 -28.684 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.728 10.103 -30.514 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.485 10.764 -29.079 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.455 13.022 -30.133 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.759 12.319 -31.580 1.00 0.00 H new ATOM 779 N PHE A 57 -15.756 10.356 -27.280 1.00 0.00 N ATOM 780 CA PHE A 57 -15.237 9.363 -26.403 1.00 0.00 C ATOM 781 C PHE A 57 -16.318 8.966 -25.433 1.00 0.00 C ATOM 782 O PHE A 57 -16.822 9.815 -24.704 1.00 0.00 O ATOM 783 CB PHE A 57 -14.078 9.945 -25.596 1.00 0.00 C ATOM 784 CG PHE A 57 -13.027 10.641 -26.405 1.00 0.00 C ATOM 785 CD1 PHE A 57 -12.198 9.933 -27.251 1.00 0.00 C ATOM 786 CD2 PHE A 57 -12.863 12.014 -26.304 1.00 0.00 C ATOM 787 CE1 PHE A 57 -11.229 10.580 -27.983 1.00 0.00 C ATOM 788 CE2 PHE A 57 -11.899 12.664 -27.030 1.00 0.00 C ATOM 789 CZ PHE A 57 -11.081 11.950 -27.870 1.00 0.00 C ATOM 0 H PHE A 57 -16.002 11.228 -26.812 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.897 8.507 -26.987 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.480 10.650 -24.868 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.607 9.139 -25.033 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.311 8.863 -27.339 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.504 12.579 -25.644 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.585 10.019 -28.644 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.783 13.734 -26.941 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.321 12.459 -28.443 1.00 0.00 H new ATOM 799 N GLU A 58 -16.698 7.721 -25.435 1.00 0.00 N ATOM 800 CA GLU A 58 -17.666 7.256 -24.479 1.00 0.00 C ATOM 801 C GLU A 58 -16.867 6.792 -23.280 1.00 0.00 C ATOM 802 O GLU A 58 -16.186 5.761 -23.337 1.00 0.00 O ATOM 803 CB GLU A 58 -18.437 6.084 -25.064 1.00 0.00 C ATOM 804 CG GLU A 58 -19.772 5.802 -24.407 1.00 0.00 C ATOM 805 CD GLU A 58 -20.799 6.836 -24.776 1.00 0.00 C ATOM 806 OE1 GLU A 58 -21.430 6.697 -25.853 1.00 0.00 O1- ATOM 807 OE2 GLU A 58 -20.990 7.808 -24.032 1.00 0.00 O ATOM 0 H GLU A 58 -16.356 7.012 -26.083 1.00 0.00 H new ATOM 0 HA GLU A 58 -18.382 8.034 -24.213 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -18.604 6.272 -26.125 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -17.818 5.190 -24.992 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -20.124 4.815 -24.707 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.648 5.781 -23.324 1.00 0.00 H new ATOM 814 N VAL A 59 -16.914 7.539 -22.229 1.00 0.00 N ATOM 815 CA VAL A 59 -16.093 7.245 -21.065 1.00 0.00 C ATOM 816 C VAL A 59 -16.933 7.174 -19.837 1.00 0.00 C ATOM 817 O VAL A 59 -18.088 7.618 -19.826 1.00 0.00 O ATOM 818 CB VAL A 59 -14.978 8.326 -20.818 1.00 0.00 C ATOM 819 CG1 VAL A 59 -14.024 8.446 -21.987 1.00 0.00 C ATOM 820 CG2 VAL A 59 -15.580 9.684 -20.474 1.00 0.00 C ATOM 0 H VAL A 59 -17.508 8.363 -22.135 1.00 0.00 H new ATOM 0 HA VAL A 59 -15.616 6.287 -21.271 1.00 0.00 H new ATOM 0 HB VAL A 59 -14.401 7.982 -19.960 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -13.273 9.205 -21.767 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.533 7.488 -22.156 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -14.578 8.732 -22.881 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -14.780 10.406 -20.310 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -16.210 10.022 -21.297 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -16.181 9.597 -19.569 1.00 0.00 H new ATOM 830 N GLU A 60 -16.365 6.631 -18.826 1.00 0.00 N ATOM 831 CA GLU A 60 -16.977 6.589 -17.543 1.00 0.00 C ATOM 832 C GLU A 60 -16.125 7.400 -16.600 1.00 0.00 C ATOM 833 O GLU A 60 -14.894 7.284 -16.621 1.00 0.00 O ATOM 834 CB GLU A 60 -17.084 5.145 -17.040 1.00 0.00 C ATOM 835 CG GLU A 60 -17.858 4.984 -15.727 1.00 0.00 C ATOM 836 CD GLU A 60 -17.958 3.542 -15.285 1.00 0.00 C ATOM 837 OE1 GLU A 60 -18.723 2.777 -15.901 1.00 0.00 O ATOM 838 OE2 GLU A 60 -17.265 3.139 -14.316 1.00 0.00 O1- ATOM 0 H GLU A 60 -15.444 6.194 -18.863 1.00 0.00 H new ATOM 0 HA GLU A 60 -17.986 6.997 -17.599 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.567 4.541 -17.808 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.079 4.745 -16.906 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -17.368 5.566 -14.947 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.861 5.394 -15.848 1.00 0.00 H new ATOM 845 N ALA A 61 -16.748 8.258 -15.826 1.00 0.00 N ATOM 846 CA ALA A 61 -16.016 8.956 -14.779 1.00 0.00 C ATOM 847 C ALA A 61 -15.816 7.953 -13.657 1.00 0.00 C ATOM 848 O ALA A 61 -16.732 7.687 -12.871 1.00 0.00 O ATOM 849 CB ALA A 61 -16.767 10.187 -14.298 1.00 0.00 C ATOM 0 H ALA A 61 -17.739 8.491 -15.893 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.059 9.321 -15.151 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -16.191 10.683 -13.517 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.913 10.873 -15.132 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -17.737 9.889 -13.900 1.00 0.00 H new ATOM 855 N LYS A 62 -14.651 7.346 -13.651 1.00 0.00 N ATOM 856 CA LYS A 62 -14.378 6.199 -12.814 1.00 0.00 C ATOM 857 C LYS A 62 -14.206 6.527 -11.353 1.00 0.00 C ATOM 858 O LYS A 62 -14.940 6.021 -10.499 1.00 0.00 O ATOM 859 CB LYS A 62 -13.087 5.518 -13.277 1.00 0.00 C ATOM 860 CG LYS A 62 -13.032 5.143 -14.746 1.00 0.00 C ATOM 861 CD LYS A 62 -14.085 4.115 -15.147 1.00 0.00 C ATOM 862 CE LYS A 62 -13.913 2.785 -14.430 1.00 0.00 C ATOM 863 NZ LYS A 62 -14.976 1.836 -14.801 1.00 0.00 N1+ ATOM 0 H LYS A 62 -13.862 7.635 -14.229 1.00 0.00 H new ATOM 0 HA LYS A 62 -15.252 5.555 -12.914 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.250 6.181 -13.058 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.942 4.615 -12.685 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.164 6.042 -15.348 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.043 4.748 -14.976 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.076 4.514 -14.931 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.035 3.951 -16.223 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.940 2.360 -14.677 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.926 2.946 -13.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.718 0.882 -14.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.870 2.123 -14.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.093 1.832 -15.834 1.00 0.00 H new ATOM 877 N ASP A 63 -13.263 7.357 -11.050 1.00 0.00 N ATOM 878 CA ASP A 63 -12.875 7.528 -9.662 1.00 0.00 C ATOM 879 C ASP A 63 -12.490 8.962 -9.331 1.00 0.00 C ATOM 880 O ASP A 63 -12.605 9.849 -10.148 1.00 0.00 O ATOM 881 CB ASP A 63 -11.674 6.623 -9.384 1.00 0.00 C ATOM 882 CG ASP A 63 -10.387 7.174 -9.974 1.00 0.00 C ATOM 883 OD1 ASP A 63 -10.340 7.509 -11.172 1.00 0.00 O1- ATOM 884 OD2 ASP A 63 -9.434 7.352 -9.207 1.00 0.00 O ATOM 0 H ASP A 63 -12.746 7.925 -11.721 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.733 7.269 -9.042 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.555 6.502 -8.307 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.865 5.632 -9.797 1.00 0.00 H new ATOM 889 N GLN A 64 -11.967 9.138 -8.123 1.00 0.00 N ATOM 890 CA GLN A 64 -11.565 10.435 -7.590 1.00 0.00 C ATOM 891 C GLN A 64 -10.262 10.969 -8.169 1.00 0.00 C ATOM 892 O GLN A 64 -9.884 12.086 -7.886 1.00 0.00 O ATOM 893 CB GLN A 64 -11.551 10.427 -6.048 1.00 0.00 C ATOM 894 CG GLN A 64 -11.056 9.119 -5.408 1.00 0.00 C ATOM 895 CD GLN A 64 -9.593 8.779 -5.643 1.00 0.00 C ATOM 896 OE1 GLN A 64 -9.242 7.609 -5.743 1.00 0.00 O ATOM 897 NE2 GLN A 64 -8.732 9.766 -5.655 1.00 0.00 N ATOM 0 H GLN A 64 -11.807 8.368 -7.474 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.329 11.139 -7.920 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.919 11.245 -5.701 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -12.560 10.630 -5.690 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -11.228 9.175 -4.333 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.665 8.298 -5.786 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.058 10.729 -5.570 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.735 9.572 -5.750 1.00 0.00 H new ATOM 906 N ASN A 65 -9.545 10.157 -8.916 1.00 0.00 N ATOM 907 CA ASN A 65 -8.395 10.657 -9.644 1.00 0.00 C ATOM 908 C ASN A 65 -8.873 11.050 -11.013 1.00 0.00 C ATOM 909 O ASN A 65 -8.158 11.707 -11.783 1.00 0.00 O ATOM 910 CB ASN A 65 -7.285 9.604 -9.788 1.00 0.00 C ATOM 911 CG ASN A 65 -6.678 9.152 -8.474 1.00 0.00 C ATOM 912 OD1 ASN A 65 -5.723 9.747 -7.976 1.00 0.00 O ATOM 913 ND2 ASN A 65 -7.205 8.099 -7.919 1.00 0.00 N ATOM 0 H ASN A 65 -9.733 9.162 -9.036 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.970 11.497 -9.094 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.690 8.734 -10.305 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.495 10.011 -10.419 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.826 7.741 -7.042 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.996 7.632 -8.361 1.00 0.00 H new ATOM 920 N CYS A 66 -10.103 10.643 -11.302 1.00 0.00 N ATOM 921 CA CYS A 66 -10.761 10.861 -12.559 1.00 0.00 C ATOM 922 C CYS A 66 -10.001 10.224 -13.680 1.00 0.00 C ATOM 923 O CYS A 66 -9.627 10.878 -14.655 1.00 0.00 O ATOM 924 CB CYS A 66 -11.050 12.343 -12.798 1.00 0.00 C ATOM 925 SG CYS A 66 -12.311 13.008 -11.669 1.00 0.00 S ATOM 0 H CYS A 66 -10.681 10.134 -10.633 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.734 10.370 -12.522 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -10.128 12.912 -12.680 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -11.381 12.482 -13.827 1.00 0.00 H new ATOM 930 N LYS A 67 -9.703 8.946 -13.497 1.00 0.00 N ATOM 931 CA LYS A 67 -9.026 8.166 -14.479 1.00 0.00 C ATOM 932 C LYS A 67 -9.946 8.061 -15.688 1.00 0.00 C ATOM 933 O LYS A 67 -11.021 7.467 -15.605 1.00 0.00 O ATOM 934 CB LYS A 67 -8.730 6.777 -13.904 1.00 0.00 C ATOM 935 CG LYS A 67 -7.528 6.018 -14.458 1.00 0.00 C ATOM 936 CD LYS A 67 -6.252 6.785 -14.208 1.00 0.00 C ATOM 937 CE LYS A 67 -5.885 7.595 -15.420 1.00 0.00 C ATOM 938 NZ LYS A 67 -4.808 8.574 -15.162 1.00 0.00 N1+ ATOM 0 H LYS A 67 -9.934 8.431 -12.647 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.080 8.623 -14.768 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.592 6.883 -12.828 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.615 6.158 -14.053 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.465 5.035 -13.991 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.656 5.854 -15.528 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.377 7.442 -13.347 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.445 6.093 -13.966 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.572 6.922 -16.218 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.769 8.123 -15.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.601 9.100 -16.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.112 9.238 -14.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.952 8.074 -14.848 1.00 0.00 H new ATOM 952 N VAL A 68 -9.565 8.687 -16.774 1.00 0.00 N ATOM 953 CA VAL A 68 -10.415 8.716 -17.933 1.00 0.00 C ATOM 954 C VAL A 68 -10.341 7.414 -18.731 1.00 0.00 C ATOM 955 O VAL A 68 -9.427 7.173 -19.555 1.00 0.00 O ATOM 956 CB VAL A 68 -10.227 9.995 -18.811 1.00 0.00 C ATOM 957 CG1 VAL A 68 -8.801 10.153 -19.335 1.00 0.00 C ATOM 958 CG2 VAL A 68 -11.240 10.022 -19.939 1.00 0.00 C ATOM 0 H VAL A 68 -8.678 9.179 -16.878 1.00 0.00 H new ATOM 0 HA VAL A 68 -11.437 8.788 -17.560 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.406 10.854 -18.164 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.733 11.059 -19.938 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.110 10.223 -18.495 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.541 9.290 -19.947 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.093 10.920 -20.539 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.109 9.141 -20.567 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.248 10.025 -19.523 1.00 0.00 H new ATOM 968 N ILE A 69 -11.265 6.556 -18.426 1.00 0.00 N ATOM 969 CA ILE A 69 -11.355 5.274 -19.039 1.00 0.00 C ATOM 970 C ILE A 69 -12.665 5.174 -19.789 1.00 0.00 C ATOM 971 O ILE A 69 -13.728 5.544 -19.277 1.00 0.00 O ATOM 972 CB ILE A 69 -11.223 4.138 -17.980 1.00 0.00 C ATOM 973 CG1 ILE A 69 -9.853 4.228 -17.305 1.00 0.00 C ATOM 974 CG2 ILE A 69 -11.417 2.756 -18.605 1.00 0.00 C ATOM 975 CD1 ILE A 69 -9.649 3.250 -16.168 1.00 0.00 C ATOM 0 H ILE A 69 -11.990 6.734 -17.731 1.00 0.00 H new ATOM 0 HA ILE A 69 -10.532 5.153 -19.743 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.009 4.271 -17.237 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.080 4.060 -18.055 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -9.714 5.241 -16.926 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -11.318 1.991 -17.835 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.410 2.695 -19.051 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -10.662 2.596 -19.375 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -8.652 3.383 -15.748 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -10.396 3.430 -15.395 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -9.752 2.231 -16.542 1.00 0.00 H new ATOM 987 N LEU A 70 -12.568 4.705 -21.000 1.00 0.00 N ATOM 988 CA LEU A 70 -13.687 4.527 -21.872 1.00 0.00 C ATOM 989 C LEU A 70 -14.543 3.382 -21.384 1.00 0.00 C ATOM 990 O LEU A 70 -14.149 2.601 -20.507 1.00 0.00 O ATOM 991 CB LEU A 70 -13.206 4.175 -23.265 1.00 0.00 C ATOM 992 CG LEU A 70 -12.403 5.231 -24.025 1.00 0.00 C ATOM 993 CD1 LEU A 70 -11.566 4.576 -25.108 1.00 0.00 C ATOM 994 CD2 LEU A 70 -13.326 6.243 -24.675 1.00 0.00 C ATOM 0 H LEU A 70 -11.680 4.428 -21.418 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.259 5.455 -21.887 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.594 3.276 -23.192 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.078 3.919 -23.867 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.756 5.736 -23.308 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.999 5.339 -25.641 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.877 3.863 -24.654 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.219 4.054 -25.807 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.733 6.985 -25.210 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.989 5.734 -25.375 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.921 6.739 -23.908 1.00 0.00 H new ATOM 1006 N THR A 71 -15.646 3.239 -22.005 1.00 0.00 N ATOM 1007 CA THR A 71 -16.602 2.184 -21.705 1.00 0.00 C ATOM 1008 C THR A 71 -16.045 0.814 -22.104 1.00 0.00 C ATOM 1009 O THR A 71 -16.417 -0.227 -21.553 1.00 0.00 O ATOM 1010 CB THR A 71 -17.902 2.455 -22.444 1.00 0.00 C ATOM 1011 OG1 THR A 71 -17.587 2.805 -23.806 1.00 0.00 O ATOM 1012 CG2 THR A 71 -18.673 3.586 -21.783 1.00 0.00 C ATOM 0 H THR A 71 -15.943 3.855 -22.762 1.00 0.00 H new ATOM 0 HA THR A 71 -16.788 2.174 -20.631 1.00 0.00 H new ATOM 0 HB THR A 71 -18.527 1.563 -22.418 1.00 0.00 H new ATOM 0 HG1 THR A 71 -18.416 2.982 -24.298 1.00 0.00 H new ATOM 0 HG21 THR A 71 -19.600 3.762 -22.329 1.00 0.00 H new ATOM 0 HG22 THR A 71 -18.905 3.315 -20.753 1.00 0.00 H new ATOM 0 HG23 THR A 71 -18.068 4.493 -21.792 1.00 0.00 H new ATOM 1020 N ASN A 72 -15.117 0.833 -23.045 1.00 0.00 N ATOM 1021 CA ASN A 72 -14.464 -0.381 -23.520 1.00 0.00 C ATOM 1022 C ASN A 72 -13.359 -0.814 -22.568 1.00 0.00 C ATOM 1023 O ASN A 72 -12.683 -1.802 -22.806 1.00 0.00 O ATOM 1024 CB ASN A 72 -13.897 -0.201 -24.943 1.00 0.00 C ATOM 1025 CG ASN A 72 -14.974 0.060 -25.982 1.00 0.00 C ATOM 1026 OD1 ASN A 72 -15.557 -0.872 -26.528 1.00 0.00 O ATOM 1027 ND2 ASN A 72 -15.211 1.307 -26.302 1.00 0.00 N ATOM 0 H ASN A 72 -14.794 1.686 -23.502 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.223 -1.162 -23.554 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.190 0.629 -24.944 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.340 -1.095 -25.222 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.897 1.527 -27.024 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.710 2.059 -25.829 1.00 0.00 H new ATOM 1034 N GLY A 73 -13.161 -0.037 -21.500 1.00 0.00 N ATOM 1035 CA GLY A 73 -12.170 -0.362 -20.510 1.00 0.00 C ATOM 1036 C GLY A 73 -10.829 0.066 -20.977 1.00 0.00 C ATOM 1037 O GLY A 73 -9.803 -0.411 -20.505 1.00 0.00 O ATOM 0 H GLY A 73 -13.682 0.819 -21.312 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.410 0.130 -19.567 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.173 -1.435 -20.319 1.00 0.00 H new ATOM 1041 N LYS A 74 -10.829 0.981 -21.912 1.00 0.00 N ATOM 1042 CA LYS A 74 -9.630 1.414 -22.516 1.00 0.00 C ATOM 1043 C LYS A 74 -9.390 2.846 -22.154 1.00 0.00 C ATOM 1044 O LYS A 74 -10.335 3.581 -21.897 1.00 0.00 O ATOM 1045 CB LYS A 74 -9.708 1.224 -24.035 1.00 0.00 C ATOM 1046 CG LYS A 74 -10.120 -0.188 -24.475 1.00 0.00 C ATOM 1047 CD LYS A 74 -9.202 -1.268 -23.907 1.00 0.00 C ATOM 1048 CE LYS A 74 -9.734 -2.672 -24.200 1.00 0.00 C ATOM 1049 NZ LYS A 74 -9.853 -2.953 -25.649 1.00 0.00 N1+ ATOM 0 H LYS A 74 -11.670 1.437 -22.265 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.792 0.819 -22.153 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.420 1.941 -24.443 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.736 1.458 -24.469 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.144 -0.381 -24.155 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.111 -0.243 -25.564 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.205 -1.160 -24.334 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.104 -1.133 -22.830 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.071 -3.408 -23.746 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.711 -2.790 -23.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.153 -3.939 -25.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.558 -2.314 -26.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.932 -2.803 -26.108 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.159 3.233 -22.101 1.00 0.00 N ATOM 1064 CA GLN A 75 -7.820 4.581 -21.768 1.00 0.00 C ATOM 1065 C GLN A 75 -8.132 5.506 -22.907 1.00 0.00 C ATOM 1066 O GLN A 75 -7.986 5.155 -24.089 1.00 0.00 O ATOM 1067 CB GLN A 75 -6.356 4.736 -21.361 1.00 0.00 C ATOM 1068 CG GLN A 75 -5.981 4.022 -20.080 1.00 0.00 C ATOM 1069 CD GLN A 75 -4.568 4.342 -19.628 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -3.664 4.602 -20.443 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -4.362 4.347 -18.345 1.00 0.00 N ATOM 0 H GLN A 75 -7.360 2.627 -22.286 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.430 4.848 -20.905 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -5.726 4.362 -22.168 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.134 5.797 -21.249 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -6.682 4.301 -19.294 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -6.077 2.946 -20.226 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -5.126 4.129 -17.705 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.437 4.569 -17.978 1.00 0.00 H new ATOM 1080 N ALA A 76 -8.588 6.650 -22.551 1.00 0.00 N ATOM 1081 CA ALA A 76 -8.861 7.685 -23.463 1.00 0.00 C ATOM 1082 C ALA A 76 -7.539 8.424 -23.759 1.00 0.00 C ATOM 1083 O ALA A 76 -6.550 8.215 -23.035 1.00 0.00 O ATOM 1084 CB ALA A 76 -9.907 8.598 -22.850 1.00 0.00 C ATOM 0 H ALA A 76 -8.787 6.895 -21.581 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.257 7.308 -24.406 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.133 9.409 -23.543 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.814 8.028 -22.649 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.526 9.013 -21.917 1.00 0.00 H new ATOM 1090 N PRO A 77 -7.501 9.261 -24.823 1.00 0.00 N ATOM 1091 CA PRO A 77 -6.299 10.002 -25.263 1.00 0.00 C ATOM 1092 C PRO A 77 -5.518 10.686 -24.148 1.00 0.00 C ATOM 1093 O PRO A 77 -6.079 11.122 -23.135 1.00 0.00 O ATOM 1094 CB PRO A 77 -6.874 11.041 -26.196 1.00 0.00 C ATOM 1095 CG PRO A 77 -8.022 10.358 -26.811 1.00 0.00 C ATOM 1096 CD PRO A 77 -8.631 9.544 -25.712 1.00 0.00 C ATOM 0 HA PRO A 77 -5.570 9.321 -25.703 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.182 11.937 -25.657 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.146 11.354 -26.944 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.738 11.075 -27.212 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.705 9.725 -27.640 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.419 10.093 -25.196 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.079 8.627 -26.094 1.00 0.00 H new ATOM 1104 N ASP A 78 -4.236 10.841 -24.385 1.00 0.00 N ATOM 1105 CA ASP A 78 -3.308 11.391 -23.406 1.00 0.00 C ATOM 1106 C ASP A 78 -3.538 12.895 -23.227 1.00 0.00 C ATOM 1107 O ASP A 78 -3.205 13.478 -22.197 1.00 0.00 O ATOM 1108 CB ASP A 78 -1.870 11.109 -23.860 1.00 0.00 C ATOM 1109 CG ASP A 78 -0.833 11.354 -22.786 1.00 0.00 C ATOM 1110 OD1 ASP A 78 -0.604 10.453 -21.960 1.00 0.00 O ATOM 1111 OD2 ASP A 78 -0.196 12.416 -22.776 1.00 0.00 O1- ATOM 0 H ASP A 78 -3.797 10.588 -25.270 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.478 10.914 -22.441 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.800 10.073 -24.191 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.642 11.735 -24.723 1.00 0.00 H new ATOM 1116 N TRP A 79 -4.142 13.502 -24.229 1.00 0.00 N ATOM 1117 CA TRP A 79 -4.451 14.920 -24.210 1.00 0.00 C ATOM 1118 C TRP A 79 -5.839 15.189 -23.625 1.00 0.00 C ATOM 1119 O TRP A 79 -6.231 16.326 -23.454 1.00 0.00 O ATOM 1120 CB TRP A 79 -4.322 15.516 -25.619 1.00 0.00 C ATOM 1121 CG TRP A 79 -5.127 14.805 -26.657 1.00 0.00 C ATOM 1122 CD1 TRP A 79 -4.687 13.821 -27.453 1.00 0.00 C ATOM 1123 CD2 TRP A 79 -6.499 15.030 -27.009 1.00 0.00 C ATOM 1124 NE1 TRP A 79 -5.686 13.386 -28.274 1.00 0.00 N ATOM 1125 CE2 TRP A 79 -6.814 14.118 -28.024 1.00 0.00 C ATOM 1126 CE3 TRP A 79 -7.485 15.906 -26.559 1.00 0.00 C ATOM 1127 CZ2 TRP A 79 -8.076 14.052 -28.600 1.00 0.00 C ATOM 1128 CZ3 TRP A 79 -8.734 15.842 -27.129 1.00 0.00 C ATOM 1129 CH2 TRP A 79 -9.022 14.921 -28.141 1.00 0.00 C ATOM 0 H TRP A 79 -4.434 13.025 -25.082 1.00 0.00 H new ATOM 0 HA TRP A 79 -3.727 15.410 -23.559 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -4.629 16.561 -25.589 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -3.273 15.500 -25.914 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -3.681 13.427 -27.446 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -5.605 12.637 -28.962 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.272 16.621 -25.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -8.300 13.340 -29.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -9.507 16.515 -26.789 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.014 14.897 -28.568 1.00 0.00 H new ATOM 1140 N LEU A 80 -6.575 14.147 -23.337 1.00 0.00 N ATOM 1141 CA LEU A 80 -7.868 14.302 -22.740 1.00 0.00 C ATOM 1142 C LEU A 80 -7.665 14.328 -21.243 1.00 0.00 C ATOM 1143 O LEU A 80 -7.294 13.320 -20.641 1.00 0.00 O ATOM 1144 CB LEU A 80 -8.810 13.159 -23.152 1.00 0.00 C ATOM 1145 CG LEU A 80 -10.247 13.269 -22.629 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -10.895 14.563 -23.092 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -11.070 12.083 -23.079 1.00 0.00 C ATOM 0 H LEU A 80 -6.296 13.181 -23.508 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.337 15.226 -23.079 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.840 13.111 -24.241 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.386 12.218 -22.803 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.208 13.274 -21.540 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.914 14.617 -22.708 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.321 15.411 -22.719 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.916 14.590 -24.181 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.087 12.180 -22.698 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.093 12.048 -24.168 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.625 11.165 -22.696 1.00 0.00 H new ATOM 1159 N ALA A 81 -7.878 15.459 -20.655 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.564 15.643 -19.270 1.00 0.00 C ATOM 1161 C ALA A 81 -8.801 15.586 -18.442 1.00 0.00 C ATOM 1162 O ALA A 81 -9.856 16.053 -18.867 1.00 0.00 O ATOM 1163 CB ALA A 81 -6.871 16.972 -19.072 1.00 0.00 C ATOM 0 H ALA A 81 -8.272 16.280 -21.115 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.898 14.840 -18.954 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.635 17.106 -18.016 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.950 16.993 -19.655 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.527 17.777 -19.402 1.00 0.00 H new ATOM 1169 N ALA A 82 -8.685 15.006 -17.286 1.00 0.00 N ATOM 1170 CA ALA A 82 -9.773 14.943 -16.362 1.00 0.00 C ATOM 1171 C ALA A 82 -9.288 15.355 -14.989 1.00 0.00 C ATOM 1172 O ALA A 82 -8.289 14.833 -14.488 1.00 0.00 O ATOM 1173 CB ALA A 82 -10.372 13.550 -16.335 1.00 0.00 C ATOM 0 H ALA A 82 -7.828 14.561 -16.957 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.557 15.630 -16.680 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.199 13.523 -15.625 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.738 13.292 -17.329 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.610 12.832 -16.032 1.00 0.00 H new ATOM 1179 N GLU A 83 -9.992 16.272 -14.396 1.00 0.00 N ATOM 1180 CA GLU A 83 -9.655 16.813 -13.106 1.00 0.00 C ATOM 1181 C GLU A 83 -10.775 16.446 -12.128 1.00 0.00 C ATOM 1182 O GLU A 83 -11.958 16.543 -12.484 1.00 0.00 O ATOM 1183 CB GLU A 83 -9.545 18.338 -13.206 1.00 0.00 C ATOM 1184 CG GLU A 83 -8.596 18.855 -14.287 1.00 0.00 C ATOM 1185 CD GLU A 83 -7.128 18.655 -13.989 1.00 0.00 C ATOM 1186 OE1 GLU A 83 -6.533 19.525 -13.325 1.00 0.00 O ATOM 1187 OE2 GLU A 83 -6.515 17.704 -14.480 1.00 0.00 O1- ATOM 0 H GLU A 83 -10.836 16.676 -14.802 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.703 16.409 -12.762 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.538 18.746 -13.392 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.217 18.726 -12.242 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.833 18.357 -15.227 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.781 19.919 -14.435 1.00 0.00 H new ATOM 1194 N PRO A 84 -10.427 15.990 -10.925 1.00 0.00 N ATOM 1195 CA PRO A 84 -11.401 15.594 -9.903 1.00 0.00 C ATOM 1196 C PRO A 84 -12.187 16.779 -9.331 1.00 0.00 C ATOM 1197 O PRO A 84 -11.611 17.715 -8.749 1.00 0.00 O ATOM 1198 CB PRO A 84 -10.513 14.967 -8.827 1.00 0.00 C ATOM 1199 CG PRO A 84 -9.198 15.608 -9.001 1.00 0.00 C ATOM 1200 CD PRO A 84 -9.047 15.771 -10.462 1.00 0.00 C ATOM 0 HA PRO A 84 -12.168 14.930 -10.301 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.913 15.149 -7.829 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.445 13.886 -8.951 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.156 16.570 -8.489 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.400 14.992 -8.587 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.402 16.615 -10.708 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.604 14.887 -10.921 1.00 0.00 H new ATOM 1208 N TYR A 85 -13.479 16.754 -9.495 1.00 0.00 N ATOM 1209 CA TYR A 85 -14.307 17.805 -9.001 1.00 0.00 C ATOM 1210 C TYR A 85 -15.035 17.333 -7.744 1.00 0.00 C ATOM 1211 O TYR A 85 -14.524 17.589 -6.637 1.00 0.00 O ATOM 1212 CB TYR A 85 -15.288 18.302 -10.077 1.00 0.00 C ATOM 1213 CG TYR A 85 -16.107 19.509 -9.666 1.00 0.00 C ATOM 1214 CD1 TYR A 85 -15.533 20.769 -9.616 1.00 0.00 C ATOM 1215 CD2 TYR A 85 -17.449 19.387 -9.337 1.00 0.00 C ATOM 1216 CE1 TYR A 85 -16.269 21.874 -9.243 1.00 0.00 C ATOM 1217 CE2 TYR A 85 -18.194 20.484 -8.966 1.00 0.00 C ATOM 1218 CZ TYR A 85 -17.601 21.726 -8.920 1.00 0.00 C ATOM 1219 OH TYR A 85 -18.342 22.830 -8.535 1.00 0.00 O ATOM 1220 OXT TYR A 85 -16.110 16.688 -7.846 1.00 0.00 O1- ATOM 0 H TYR A 85 -13.982 16.006 -9.973 1.00 0.00 H new ATOM 0 HA TYR A 85 -13.679 18.656 -8.739 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -14.726 18.549 -10.978 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -15.966 17.489 -10.337 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -14.491 20.888 -9.874 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.918 18.415 -9.372 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -15.805 22.849 -9.204 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -19.238 20.371 -8.712 1.00 0.00 H new ATOM 0 HH TYR A 85 -19.263 22.555 -8.343 1.00 0.00 H new