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 Single : A 27 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 TYR OH : rot 15:sc= 1.19 USER MOD Single : A 31 HIS : no HD1:sc= -0.465 X(o=-0.47,f=0.012) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0619 USER MOD Single : A 40 MET CE :methyl 166:sc= -0.0824 (180deg=-0.374) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -100:sc= -1.28 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -20:sc= 1.22 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 152:sc= 1.24 (180deg=-0.529) USER MOD Single : A 64 GLN : amide:sc= -0.802 K(o=-0.8,f=0) USER MOD Single : A 65 ASN : amide:sc= 1.1 K(o=1.1,f=-0.22) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 140:sc= -1.38 USER MOD Single : A 72 ASN : amide:sc= -0.439 K(o=-0.44,f=-9.4!) USER MOD Single : A 74 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.15) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N ALA A 22 -14.320 13.462 -5.288 1.00 0.00 N ATOM 225 CA ALA A 22 -14.716 13.907 -6.600 1.00 0.00 C ATOM 226 C ALA A 22 -16.152 13.520 -6.826 1.00 0.00 C ATOM 227 O ALA A 22 -16.537 12.353 -6.659 1.00 0.00 O ATOM 228 CB ALA A 22 -13.832 13.327 -7.680 1.00 0.00 C ATOM 0 HA ALA A 22 -14.608 14.990 -6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.164 13.687 -8.654 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.801 13.636 -7.511 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.893 12.239 -7.655 1.00 0.00 H new ATOM 234 N ARG A 23 -16.937 14.491 -7.131 1.00 0.00 N ATOM 235 CA ARG A 23 -18.343 14.325 -7.361 1.00 0.00 C ATOM 236 C ARG A 23 -18.540 14.316 -8.857 1.00 0.00 C ATOM 237 O ARG A 23 -19.335 13.543 -9.421 1.00 0.00 O ATOM 238 CB ARG A 23 -19.060 15.500 -6.703 1.00 0.00 C ATOM 239 CG ARG A 23 -18.731 15.605 -5.215 1.00 0.00 C ATOM 240 CD ARG A 23 -19.144 16.935 -4.620 1.00 0.00 C ATOM 241 NE ARG A 23 -20.582 17.166 -4.693 1.00 0.00 N ATOM 242 CZ ARG A 23 -21.191 18.273 -4.263 1.00 0.00 C ATOM 243 NH1 ARG A 23 -20.483 19.237 -3.676 1.00 0.00 N1+ ATOM 244 NH2 ARG A 23 -22.501 18.408 -4.417 1.00 0.00 N ATOM 0 H ARG A 23 -16.617 15.454 -7.232 1.00 0.00 H new ATOM 0 HA ARG A 23 -18.742 13.401 -6.941 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -18.776 16.425 -7.204 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -20.137 15.386 -6.830 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -19.232 14.800 -4.678 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -17.660 15.464 -5.073 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -18.827 16.976 -3.578 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -18.625 17.738 -5.143 1.00 0.00 H new ATOM 0 HE ARG A 23 -21.162 16.432 -5.100 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -19.476 19.129 -3.555 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -20.948 20.083 -3.347 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -23.041 17.667 -4.863 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -22.969 19.253 -4.089 1.00 0.00 H new ATOM 258 N PHE A 24 -17.774 15.152 -9.498 1.00 0.00 N ATOM 259 CA PHE A 24 -17.706 15.217 -10.920 1.00 0.00 C ATOM 260 C PHE A 24 -16.246 15.244 -11.292 1.00 0.00 C ATOM 261 O PHE A 24 -15.372 15.223 -10.425 1.00 0.00 O ATOM 262 CB PHE A 24 -18.410 16.475 -11.502 1.00 0.00 C ATOM 263 CG PHE A 24 -19.905 16.568 -11.269 1.00 0.00 C ATOM 264 CD1 PHE A 24 -20.419 17.026 -10.063 1.00 0.00 C ATOM 265 CD2 PHE A 24 -20.792 16.213 -12.272 1.00 0.00 C ATOM 266 CE1 PHE A 24 -21.782 17.123 -9.865 1.00 0.00 C ATOM 267 CE2 PHE A 24 -22.156 16.305 -12.078 1.00 0.00 C ATOM 268 CZ PHE A 24 -22.653 16.760 -10.874 1.00 0.00 C ATOM 0 H PHE A 24 -17.166 15.823 -9.028 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.224 14.353 -11.336 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -17.940 17.360 -11.074 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -18.227 16.505 -12.576 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -19.744 17.310 -9.269 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -20.411 15.859 -13.219 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -22.167 17.482 -8.922 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -22.834 16.021 -12.869 1.00 0.00 H new ATOM 0 HZ PHE A 24 -23.720 16.832 -10.721 1.00 0.00 H new ATOM 278 N CYS A 25 -15.983 15.240 -12.534 1.00 0.00 N ATOM 279 CA CYS A 25 -14.659 15.378 -13.022 1.00 0.00 C ATOM 280 C CYS A 25 -14.721 16.316 -14.208 1.00 0.00 C ATOM 281 O CYS A 25 -15.688 16.286 -14.985 1.00 0.00 O ATOM 282 CB CYS A 25 -14.105 14.025 -13.425 1.00 0.00 C ATOM 283 SG CYS A 25 -12.299 13.972 -13.579 1.00 0.00 S ATOM 0 H CYS A 25 -16.690 15.139 -13.263 1.00 0.00 H new ATOM 0 HA CYS A 25 -13.996 15.780 -12.255 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -14.417 13.284 -12.689 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -14.548 13.734 -14.378 1.00 0.00 H new ATOM 288 N VAL A 26 -13.748 17.153 -14.315 1.00 0.00 N ATOM 289 CA VAL A 26 -13.696 18.182 -15.335 1.00 0.00 C ATOM 290 C VAL A 26 -12.749 17.741 -16.430 1.00 0.00 C ATOM 291 O VAL A 26 -11.583 17.487 -16.165 1.00 0.00 O ATOM 292 CB VAL A 26 -13.155 19.506 -14.730 1.00 0.00 C ATOM 293 CG1 VAL A 26 -13.328 20.654 -15.685 1.00 0.00 C ATOM 294 CG2 VAL A 26 -13.795 19.814 -13.388 1.00 0.00 C ATOM 0 H VAL A 26 -12.942 17.154 -13.690 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.699 18.341 -15.730 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.087 19.369 -14.560 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.940 21.566 -15.232 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.784 20.446 -16.606 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.387 20.783 -15.910 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.390 20.748 -12.998 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.874 19.910 -13.513 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.581 19.006 -12.689 1.00 0.00 H new ATOM 304 N TYR A 27 -13.250 17.629 -17.637 1.00 0.00 N ATOM 305 CA TYR A 27 -12.429 17.227 -18.763 1.00 0.00 C ATOM 306 C TYR A 27 -12.060 18.403 -19.630 1.00 0.00 C ATOM 307 O TYR A 27 -12.857 19.347 -19.804 1.00 0.00 O ATOM 308 CB TYR A 27 -13.097 16.138 -19.599 1.00 0.00 C ATOM 309 CG TYR A 27 -13.118 14.776 -18.937 1.00 0.00 C ATOM 310 CD1 TYR A 27 -13.911 14.519 -17.829 1.00 0.00 C ATOM 311 CD2 TYR A 27 -12.338 13.746 -19.429 1.00 0.00 C ATOM 312 CE1 TYR A 27 -13.922 13.275 -17.234 1.00 0.00 C ATOM 313 CE2 TYR A 27 -12.345 12.502 -18.842 1.00 0.00 C ATOM 314 CZ TYR A 27 -13.140 12.271 -17.744 1.00 0.00 C ATOM 315 OH TYR A 27 -13.150 11.030 -17.152 1.00 0.00 O ATOM 0 H TYR A 27 -14.226 17.811 -17.869 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.513 16.811 -18.344 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -14.121 16.440 -19.818 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.578 16.058 -20.554 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.530 15.306 -17.425 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.711 13.921 -20.291 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.544 13.092 -16.370 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.729 11.710 -19.242 1.00 0.00 H new ATOM 0 HH TYR A 27 -14.028 10.868 -16.747 1.00 0.00 H new ATOM 325 N TYR A 28 -10.862 18.356 -20.157 1.00 0.00 N ATOM 326 CA TYR A 28 -10.333 19.402 -20.999 1.00 0.00 C ATOM 327 C TYR A 28 -9.715 18.800 -22.251 1.00 0.00 C ATOM 328 O TYR A 28 -9.195 17.666 -22.219 1.00 0.00 O ATOM 329 CB TYR A 28 -9.213 20.178 -20.289 1.00 0.00 C ATOM 330 CG TYR A 28 -9.540 20.805 -18.957 1.00 0.00 C ATOM 331 CD1 TYR A 28 -9.487 20.059 -17.791 1.00 0.00 C ATOM 332 CD2 TYR A 28 -9.857 22.149 -18.860 1.00 0.00 C ATOM 333 CE1 TYR A 28 -9.750 20.630 -16.574 1.00 0.00 C ATOM 334 CE2 TYR A 28 -10.111 22.730 -17.640 1.00 0.00 C ATOM 335 CZ TYR A 28 -10.056 21.965 -16.498 1.00 0.00 C ATOM 336 OH TYR A 28 -10.300 22.538 -15.264 1.00 0.00 O ATOM 0 H TYR A 28 -10.217 17.579 -20.012 1.00 0.00 H new ATOM 0 HA TYR A 28 -11.163 20.067 -21.239 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.372 19.499 -20.145 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.874 20.968 -20.959 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.234 19.010 -17.842 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.906 22.750 -19.756 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.717 20.030 -15.676 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.352 23.781 -17.579 1.00 0.00 H new ATOM 0 HH TYR A 28 -9.987 21.937 -14.556 1.00 0.00 H new ATOM 346 N ASP A 29 -9.787 19.553 -23.329 1.00 0.00 N ATOM 347 CA ASP A 29 -9.110 19.242 -24.581 1.00 0.00 C ATOM 348 C ASP A 29 -7.733 19.826 -24.485 1.00 0.00 C ATOM 349 O ASP A 29 -7.575 21.054 -24.496 1.00 0.00 O ATOM 350 CB ASP A 29 -9.840 19.879 -25.784 1.00 0.00 C ATOM 351 CG ASP A 29 -9.107 19.704 -27.120 1.00 0.00 C ATOM 352 OD1 ASP A 29 -8.167 20.492 -27.427 1.00 0.00 O ATOM 353 OD2 ASP A 29 -9.485 18.821 -27.913 1.00 0.00 O1- ATOM 0 H ASP A 29 -10.328 20.417 -23.365 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.090 18.163 -24.735 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.835 19.441 -25.866 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.976 20.943 -25.592 1.00 0.00 H new ATOM 358 N GLY A 30 -6.769 18.997 -24.305 1.00 0.00 N ATOM 359 CA GLY A 30 -5.434 19.459 -24.184 1.00 0.00 C ATOM 360 C GLY A 30 -4.873 19.093 -22.847 1.00 0.00 C ATOM 361 O GLY A 30 -5.581 19.102 -21.837 1.00 0.00 O ATOM 0 H GLY A 30 -6.882 17.985 -24.238 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.820 19.026 -24.974 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.404 20.541 -24.314 1.00 0.00 H new ATOM 365 N HIS A 31 -3.620 18.794 -22.837 1.00 0.00 N ATOM 366 CA HIS A 31 -2.942 18.359 -21.638 1.00 0.00 C ATOM 367 C HIS A 31 -2.066 19.465 -21.081 1.00 0.00 C ATOM 368 O HIS A 31 -1.424 19.303 -20.049 1.00 0.00 O ATOM 369 CB HIS A 31 -2.133 17.065 -21.891 1.00 0.00 C ATOM 370 CG HIS A 31 -1.096 17.157 -22.985 1.00 0.00 C ATOM 371 ND1 HIS A 31 0.258 17.116 -22.766 1.00 0.00 N ATOM 372 CD2 HIS A 31 -1.251 17.260 -24.331 1.00 0.00 C ATOM 373 CE1 HIS A 31 0.873 17.196 -23.951 1.00 0.00 C ATOM 374 NE2 HIS A 31 -0.003 17.284 -24.937 1.00 0.00 N ATOM 0 H HIS A 31 -3.021 18.841 -23.661 1.00 0.00 H new ATOM 0 HA HIS A 31 -3.698 18.127 -20.888 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.635 16.780 -20.964 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -2.829 16.263 -22.139 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -2.198 17.315 -24.848 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.945 17.190 -24.085 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.197 17.355 -25.935 1.00 0.00 H new ATOM 382 N LEU A 32 -2.056 20.590 -21.760 1.00 0.00 N ATOM 383 CA LEU A 32 -1.298 21.739 -21.307 1.00 0.00 C ATOM 384 C LEU A 32 -2.196 22.650 -20.530 1.00 0.00 C ATOM 385 O LEU A 32 -3.219 23.060 -21.039 1.00 0.00 O ATOM 386 CB LEU A 32 -0.644 22.497 -22.466 1.00 0.00 C ATOM 387 CG LEU A 32 0.811 22.140 -22.775 1.00 0.00 C ATOM 388 CD1 LEU A 32 0.979 20.665 -23.080 1.00 0.00 C ATOM 389 CD2 LEU A 32 1.337 22.986 -23.918 1.00 0.00 C ATOM 0 H LEU A 32 -2.566 20.736 -22.631 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.491 21.379 -20.669 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.237 22.325 -23.365 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.696 23.564 -22.249 1.00 0.00 H new ATOM 0 HG LEU A 32 1.397 22.356 -21.881 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.027 20.455 -23.294 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.659 20.077 -22.220 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.372 20.401 -23.946 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.373 22.717 -24.123 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.734 22.810 -24.809 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.283 24.040 -23.646 1.00 0.00 H new ATOM 401 N PRO A 33 -1.813 23.001 -19.290 1.00 0.00 N ATOM 402 CA PRO A 33 -2.647 23.811 -18.388 1.00 0.00 C ATOM 403 C PRO A 33 -3.119 25.138 -18.994 1.00 0.00 C ATOM 404 O PRO A 33 -4.199 25.613 -18.674 1.00 0.00 O ATOM 405 CB PRO A 33 -1.756 24.051 -17.158 1.00 0.00 C ATOM 406 CG PRO A 33 -0.381 23.628 -17.559 1.00 0.00 C ATOM 407 CD PRO A 33 -0.534 22.624 -18.656 1.00 0.00 C ATOM 0 HA PRO A 33 -3.576 23.289 -18.157 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.771 25.100 -16.863 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.108 23.475 -16.302 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.202 24.484 -17.899 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.152 23.195 -16.712 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.294 22.672 -19.363 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.563 21.606 -18.268 1.00 0.00 H new ATOM 415 N ALA A 34 -2.336 25.689 -19.897 1.00 0.00 N ATOM 416 CA ALA A 34 -2.672 26.959 -20.514 1.00 0.00 C ATOM 417 C ALA A 34 -3.671 26.795 -21.671 1.00 0.00 C ATOM 418 O ALA A 34 -4.789 27.319 -21.623 1.00 0.00 O ATOM 419 CB ALA A 34 -1.411 27.658 -21.000 1.00 0.00 C ATOM 0 H ALA A 34 -1.461 25.278 -20.222 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.155 27.573 -19.754 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.677 28.609 -21.461 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.746 27.837 -20.155 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.906 27.029 -21.733 1.00 0.00 H new ATOM 425 N THR A 35 -3.282 26.034 -22.674 1.00 0.00 N ATOM 426 CA THR A 35 -4.037 25.900 -23.911 1.00 0.00 C ATOM 427 C THR A 35 -5.143 24.832 -23.869 1.00 0.00 C ATOM 428 O THR A 35 -5.839 24.604 -24.871 1.00 0.00 O ATOM 429 CB THR A 35 -3.061 25.608 -25.052 1.00 0.00 C ATOM 430 OG1 THR A 35 -2.096 24.642 -24.595 1.00 0.00 O ATOM 431 CG2 THR A 35 -2.339 26.878 -25.483 1.00 0.00 C ATOM 0 H THR A 35 -2.423 25.484 -22.656 1.00 0.00 H new ATOM 0 HA THR A 35 -4.558 26.844 -24.067 1.00 0.00 H new ATOM 0 HB THR A 35 -3.615 25.220 -25.907 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.464 24.444 -25.317 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.650 26.647 -26.295 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.068 27.613 -25.824 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.782 27.284 -24.639 1.00 0.00 H new ATOM 439 N ARG A 36 -5.306 24.178 -22.734 1.00 0.00 N ATOM 440 CA ARG A 36 -6.352 23.188 -22.586 1.00 0.00 C ATOM 441 C ARG A 36 -7.722 23.881 -22.598 1.00 0.00 C ATOM 442 O ARG A 36 -7.884 24.975 -22.049 1.00 0.00 O ATOM 443 CB ARG A 36 -6.148 22.365 -21.307 1.00 0.00 C ATOM 444 CG ARG A 36 -6.257 23.177 -20.032 1.00 0.00 C ATOM 445 CD ARG A 36 -5.991 22.351 -18.792 1.00 0.00 C ATOM 446 NE ARG A 36 -6.036 23.206 -17.606 1.00 0.00 N ATOM 447 CZ ARG A 36 -6.058 22.802 -16.338 1.00 0.00 C ATOM 448 NH1 ARG A 36 -5.932 21.518 -16.027 1.00 0.00 N1+ ATOM 449 NH2 ARG A 36 -6.178 23.701 -15.377 1.00 0.00 N ATOM 0 H ARG A 36 -4.729 24.315 -21.904 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.309 22.493 -23.425 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.886 21.564 -21.280 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.166 21.893 -21.343 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.549 24.005 -20.071 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.254 23.613 -19.967 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.733 21.557 -18.707 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.016 21.869 -18.867 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.052 24.213 -17.767 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.816 20.824 -16.765 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.951 21.226 -15.050 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.252 24.691 -15.611 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.196 23.405 -14.401 1.00 0.00 H new ATOM 463 N VAL A 37 -8.663 23.287 -23.262 1.00 0.00 N ATOM 464 CA VAL A 37 -9.988 23.854 -23.396 1.00 0.00 C ATOM 465 C VAL A 37 -10.971 23.079 -22.543 1.00 0.00 C ATOM 466 O VAL A 37 -11.030 21.869 -22.634 1.00 0.00 O ATOM 467 CB VAL A 37 -10.457 23.805 -24.876 1.00 0.00 C ATOM 468 CG1 VAL A 37 -11.845 24.405 -25.040 1.00 0.00 C ATOM 469 CG2 VAL A 37 -9.465 24.516 -25.779 1.00 0.00 C ATOM 0 H VAL A 37 -8.543 22.390 -23.733 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.949 24.892 -23.066 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.507 22.756 -25.169 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.142 24.354 -26.088 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.557 23.845 -24.434 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.832 25.446 -24.716 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.814 24.469 -26.811 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.377 25.558 -25.473 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.492 24.032 -25.703 1.00 0.00 H new ATOM 479 N LEU A 38 -11.707 23.778 -21.703 1.00 0.00 N ATOM 480 CA LEU A 38 -12.743 23.172 -20.871 1.00 0.00 C ATOM 481 C LEU A 38 -13.789 22.509 -21.773 1.00 0.00 C ATOM 482 O LEU A 38 -14.306 23.147 -22.694 1.00 0.00 O ATOM 483 CB LEU A 38 -13.370 24.282 -19.959 1.00 0.00 C ATOM 484 CG LEU A 38 -14.563 23.935 -19.012 1.00 0.00 C ATOM 485 CD1 LEU A 38 -15.891 23.804 -19.748 1.00 0.00 C ATOM 486 CD2 LEU A 38 -14.279 22.678 -18.228 1.00 0.00 C ATOM 0 H LEU A 38 -11.608 24.785 -21.573 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.325 22.399 -20.226 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.569 24.681 -19.337 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.699 25.090 -20.612 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.660 24.776 -18.325 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.680 23.562 -19.035 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.126 24.746 -20.244 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.818 23.010 -20.492 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.124 22.457 -17.576 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.125 21.847 -18.916 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.383 22.820 -17.624 1.00 0.00 H new ATOM 498 N LEU A 39 -14.066 21.238 -21.535 1.00 0.00 N ATOM 499 CA LEU A 39 -15.048 20.537 -22.327 1.00 0.00 C ATOM 500 C LEU A 39 -16.355 20.343 -21.568 1.00 0.00 C ATOM 501 O LEU A 39 -17.379 20.907 -21.958 1.00 0.00 O ATOM 502 CB LEU A 39 -14.497 19.198 -22.829 1.00 0.00 C ATOM 503 CG LEU A 39 -13.290 19.277 -23.771 1.00 0.00 C ATOM 504 CD1 LEU A 39 -12.813 17.890 -24.138 1.00 0.00 C ATOM 505 CD2 LEU A 39 -13.636 20.068 -25.030 1.00 0.00 C ATOM 0 H LEU A 39 -13.626 20.679 -20.804 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.268 21.159 -23.195 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.219 18.595 -21.964 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.299 18.668 -23.342 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.486 19.796 -23.249 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.956 17.965 -24.807 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.522 17.354 -23.234 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.617 17.349 -24.638 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.765 20.111 -25.684 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.458 19.579 -25.553 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.933 21.080 -24.754 1.00 0.00 H new ATOM 517 N MET A 40 -16.323 19.599 -20.455 1.00 0.00 N ATOM 518 CA MET A 40 -17.541 19.310 -19.694 1.00 0.00 C ATOM 519 C MET A 40 -17.243 18.589 -18.413 1.00 0.00 C ATOM 520 O MET A 40 -16.117 18.117 -18.188 1.00 0.00 O ATOM 521 CB MET A 40 -18.590 18.517 -20.509 1.00 0.00 C ATOM 522 CG MET A 40 -18.109 17.187 -21.034 1.00 0.00 C ATOM 523 SD MET A 40 -19.434 16.186 -21.738 1.00 0.00 S ATOM 524 CE MET A 40 -19.999 17.255 -23.057 1.00 0.00 C ATOM 0 H MET A 40 -15.474 19.190 -20.065 1.00 0.00 H new ATOM 0 HA MET A 40 -17.972 20.283 -19.459 1.00 0.00 H new ATOM 0 HB2 MET A 40 -19.466 18.349 -19.882 1.00 0.00 H new ATOM 0 HB3 MET A 40 -18.914 19.129 -21.351 1.00 0.00 H new ATOM 0 HG2 MET A 40 -17.347 17.357 -21.794 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.634 16.633 -20.224 1.00 0.00 H new ATOM 0 HE1 MET A 40 -20.637 16.689 -23.736 1.00 0.00 H new ATOM 0 HE2 MET A 40 -20.565 18.085 -22.635 1.00 0.00 H new ATOM 0 HE3 MET A 40 -19.140 17.643 -23.605 1.00 0.00 H new ATOM 534 N TYR A 41 -18.246 18.544 -17.578 1.00 0.00 N ATOM 535 CA TYR A 41 -18.208 17.894 -16.295 1.00 0.00 C ATOM 536 C TYR A 41 -18.876 16.531 -16.395 1.00 0.00 C ATOM 537 O TYR A 41 -20.017 16.406 -16.863 1.00 0.00 O ATOM 538 CB TYR A 41 -18.927 18.745 -15.234 1.00 0.00 C ATOM 539 CG TYR A 41 -18.250 20.066 -14.900 1.00 0.00 C ATOM 540 CD1 TYR A 41 -18.330 21.161 -15.757 1.00 0.00 C ATOM 541 CD2 TYR A 41 -17.539 20.215 -13.718 1.00 0.00 C ATOM 542 CE1 TYR A 41 -17.719 22.361 -15.442 1.00 0.00 C ATOM 543 CE2 TYR A 41 -16.928 21.413 -13.397 1.00 0.00 C ATOM 544 CZ TYR A 41 -17.019 22.479 -14.262 1.00 0.00 C ATOM 545 OH TYR A 41 -16.404 23.670 -13.944 1.00 0.00 O ATOM 0 H TYR A 41 -19.147 18.976 -17.781 1.00 0.00 H new ATOM 0 HA TYR A 41 -17.167 17.772 -15.996 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -19.940 18.951 -15.581 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -19.016 18.159 -14.319 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -18.878 21.071 -16.683 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -17.461 19.381 -13.037 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.790 23.201 -16.117 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.381 21.512 -12.471 1.00 0.00 H new ATOM 0 HH TYR A 41 -15.954 23.585 -13.077 1.00 0.00 H new ATOM 555 N VAL A 42 -18.172 15.534 -15.970 1.00 0.00 N ATOM 556 CA VAL A 42 -18.646 14.164 -15.992 1.00 0.00 C ATOM 557 C VAL A 42 -18.829 13.719 -14.576 1.00 0.00 C ATOM 558 O VAL A 42 -17.948 13.924 -13.766 1.00 0.00 O ATOM 559 CB VAL A 42 -17.613 13.243 -16.681 1.00 0.00 C ATOM 560 CG1 VAL A 42 -18.070 11.786 -16.701 1.00 0.00 C ATOM 561 CG2 VAL A 42 -17.317 13.747 -18.083 1.00 0.00 C ATOM 0 H VAL A 42 -17.232 15.637 -15.588 1.00 0.00 H new ATOM 0 HA VAL A 42 -19.583 14.109 -16.546 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.693 13.275 -16.097 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.314 11.174 -17.194 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.211 11.435 -15.679 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -19.012 11.707 -17.244 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.588 13.091 -18.559 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.236 13.754 -18.669 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.914 14.758 -18.029 1.00 0.00 H new ATOM 571 N ARG A 43 -19.953 13.137 -14.259 1.00 0.00 N ATOM 572 CA ARG A 43 -20.192 12.738 -12.913 1.00 0.00 C ATOM 573 C ARG A 43 -19.490 11.418 -12.585 1.00 0.00 C ATOM 574 O ARG A 43 -19.471 10.468 -13.387 1.00 0.00 O ATOM 575 CB ARG A 43 -21.671 12.624 -12.612 1.00 0.00 C ATOM 576 CG ARG A 43 -21.919 12.382 -11.147 1.00 0.00 C ATOM 577 CD ARG A 43 -23.297 11.903 -10.874 1.00 0.00 C ATOM 578 NE ARG A 43 -23.434 11.505 -9.477 1.00 0.00 N ATOM 579 CZ ARG A 43 -24.116 10.446 -9.050 1.00 0.00 C ATOM 580 NH1 ARG A 43 -24.797 9.688 -9.916 1.00 0.00 N1+ ATOM 581 NH2 ARG A 43 -24.101 10.134 -7.761 1.00 0.00 N ATOM 0 H ARG A 43 -20.708 12.933 -14.914 1.00 0.00 H new ATOM 0 HA ARG A 43 -19.775 13.521 -12.280 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -22.178 13.538 -12.922 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -22.100 11.809 -13.194 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -21.203 11.648 -10.777 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -21.743 13.305 -10.595 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -24.014 12.690 -11.106 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -23.530 11.059 -11.523 1.00 0.00 H new ATOM 0 HE ARG A 43 -22.972 12.083 -8.775 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -24.795 9.921 -10.909 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -25.318 8.877 -9.583 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -23.569 10.705 -7.104 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -24.622 9.323 -7.426 1.00 0.00 H new ATOM 595 N ILE A 44 -18.962 11.363 -11.405 1.00 0.00 N ATOM 596 CA ILE A 44 -18.260 10.199 -10.911 1.00 0.00 C ATOM 597 C ILE A 44 -19.269 9.123 -10.567 1.00 0.00 C ATOM 598 O ILE A 44 -20.146 9.312 -9.717 1.00 0.00 O ATOM 599 CB ILE A 44 -17.379 10.520 -9.676 1.00 0.00 C ATOM 600 CG1 ILE A 44 -16.263 11.508 -10.048 1.00 0.00 C ATOM 601 CG2 ILE A 44 -16.786 9.247 -9.080 1.00 0.00 C ATOM 602 CD1 ILE A 44 -15.208 10.961 -10.998 1.00 0.00 C ATOM 0 H ILE A 44 -19.001 12.134 -10.738 1.00 0.00 H new ATOM 0 HA ILE A 44 -17.588 9.852 -11.696 1.00 0.00 H new ATOM 0 HB ILE A 44 -18.015 10.983 -8.922 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -16.716 12.390 -10.501 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -15.770 11.837 -9.133 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -16.173 9.501 -8.216 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.591 8.581 -8.770 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.170 8.748 -9.828 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.465 11.733 -11.200 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.721 10.098 -10.543 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.681 10.660 -11.933 1.00 0.00 H new ATOM 614 N GLY A 45 -19.157 8.035 -11.255 1.00 0.00 N ATOM 615 CA GLY A 45 -20.065 6.942 -11.094 1.00 0.00 C ATOM 616 C GLY A 45 -20.969 6.882 -12.283 1.00 0.00 C ATOM 617 O GLY A 45 -21.837 6.021 -12.388 1.00 0.00 O ATOM 0 H GLY A 45 -18.428 7.876 -11.951 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -19.514 6.007 -10.992 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -20.649 7.069 -10.183 1.00 0.00 H new ATOM 621 N THR A 46 -20.769 7.825 -13.184 1.00 0.00 N ATOM 622 CA THR A 46 -21.554 7.951 -14.364 1.00 0.00 C ATOM 623 C THR A 46 -20.633 7.956 -15.580 1.00 0.00 C ATOM 624 O THR A 46 -19.399 7.932 -15.457 1.00 0.00 O ATOM 625 CB THR A 46 -22.281 9.278 -14.283 1.00 0.00 C ATOM 626 OG1 THR A 46 -22.613 9.531 -12.909 1.00 0.00 O ATOM 627 CG2 THR A 46 -23.564 9.257 -15.057 1.00 0.00 C ATOM 0 H THR A 46 -20.038 8.531 -13.100 1.00 0.00 H new ATOM 0 HA THR A 46 -22.260 7.125 -14.453 1.00 0.00 H new ATOM 0 HB THR A 46 -21.628 10.045 -14.699 1.00 0.00 H new ATOM 0 HG1 THR A 46 -23.552 9.301 -12.752 1.00 0.00 H new ATOM 0 HG21 THR A 46 -24.055 10.227 -14.974 1.00 0.00 H new ATOM 0 HG22 THR A 46 -23.353 9.046 -16.105 1.00 0.00 H new ATOM 0 HG23 THR A 46 -24.218 8.483 -14.656 1.00 0.00 H new ATOM 635 N THR A 47 -21.232 7.943 -16.707 1.00 0.00 N ATOM 636 CA THR A 47 -20.564 8.023 -17.958 1.00 0.00 C ATOM 637 C THR A 47 -20.977 9.316 -18.627 1.00 0.00 C ATOM 638 O THR A 47 -22.015 9.917 -18.252 1.00 0.00 O ATOM 639 CB THR A 47 -20.941 6.831 -18.870 1.00 0.00 C ATOM 640 OG1 THR A 47 -22.373 6.734 -19.010 1.00 0.00 O ATOM 641 CG2 THR A 47 -20.392 5.512 -18.351 1.00 0.00 C ATOM 0 H THR A 47 -22.246 7.873 -16.793 1.00 0.00 H new ATOM 0 HA THR A 47 -19.487 7.993 -17.794 1.00 0.00 H new ATOM 0 HB THR A 47 -20.488 7.023 -19.843 1.00 0.00 H new ATOM 0 HG1 THR A 47 -22.594 5.976 -19.591 1.00 0.00 H new ATOM 0 HG21 THR A 47 -20.683 4.706 -19.025 1.00 0.00 H new ATOM 0 HG22 THR A 47 -19.305 5.566 -18.298 1.00 0.00 H new ATOM 0 HG23 THR A 47 -20.794 5.317 -17.357 1.00 0.00 H new ATOM 649 N ALA A 48 -20.193 9.757 -19.555 1.00 0.00 N ATOM 650 CA ALA A 48 -20.509 10.956 -20.321 1.00 0.00 C ATOM 651 C ALA A 48 -19.840 10.929 -21.671 1.00 0.00 C ATOM 652 O ALA A 48 -18.757 10.354 -21.829 1.00 0.00 O ATOM 653 CB ALA A 48 -20.120 12.209 -19.575 1.00 0.00 C ATOM 0 H ALA A 48 -19.314 9.311 -19.816 1.00 0.00 H new ATOM 0 HA ALA A 48 -21.589 10.968 -20.467 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.370 13.083 -20.176 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -20.661 12.252 -18.629 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.048 12.198 -19.380 1.00 0.00 H new ATOM 659 N THR A 49 -20.474 11.550 -22.625 1.00 0.00 N ATOM 660 CA THR A 49 -19.983 11.607 -23.964 1.00 0.00 C ATOM 661 C THR A 49 -19.182 12.891 -24.162 1.00 0.00 C ATOM 662 O THR A 49 -19.737 13.984 -24.110 1.00 0.00 O ATOM 663 CB THR A 49 -21.166 11.615 -24.959 1.00 0.00 C ATOM 664 OG1 THR A 49 -22.109 10.595 -24.590 1.00 0.00 O ATOM 665 CG2 THR A 49 -20.680 11.353 -26.384 1.00 0.00 C ATOM 0 H THR A 49 -21.360 12.037 -22.488 1.00 0.00 H new ATOM 0 HA THR A 49 -19.352 10.736 -24.142 1.00 0.00 H new ATOM 0 HB THR A 49 -21.639 12.596 -24.924 1.00 0.00 H new ATOM 0 HG1 THR A 49 -21.666 9.930 -24.022 1.00 0.00 H new ATOM 0 HG21 THR A 49 -21.530 11.363 -27.066 1.00 0.00 H new ATOM 0 HG22 THR A 49 -19.972 12.129 -26.675 1.00 0.00 H new ATOM 0 HG23 THR A 49 -20.191 10.380 -26.429 1.00 0.00 H new ATOM 673 N ILE A 50 -17.902 12.759 -24.329 1.00 0.00 N ATOM 674 CA ILE A 50 -17.056 13.874 -24.656 1.00 0.00 C ATOM 675 C ILE A 50 -16.945 13.840 -26.168 1.00 0.00 C ATOM 676 O ILE A 50 -16.968 12.763 -26.755 1.00 0.00 O ATOM 677 CB ILE A 50 -15.626 13.672 -24.097 1.00 0.00 C ATOM 678 CG1 ILE A 50 -15.630 13.222 -22.627 1.00 0.00 C ATOM 679 CG2 ILE A 50 -14.787 14.935 -24.272 1.00 0.00 C ATOM 680 CD1 ILE A 50 -16.214 14.226 -21.656 1.00 0.00 C ATOM 0 H ILE A 50 -17.408 11.871 -24.243 1.00 0.00 H new ATOM 0 HA ILE A 50 -17.463 14.800 -24.249 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.172 12.869 -24.677 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -16.193 12.292 -22.548 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.606 13.001 -22.327 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.787 14.766 -23.871 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -14.716 15.181 -25.332 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.257 15.761 -23.738 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.174 13.820 -20.645 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -15.639 15.151 -21.699 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -17.251 14.431 -21.924 1.00 0.00 H new ATOM 692 N THR A 51 -16.877 14.950 -26.790 1.00 0.00 N ATOM 693 CA THR A 51 -16.719 14.994 -28.226 1.00 0.00 C ATOM 694 C THR A 51 -15.715 16.096 -28.582 1.00 0.00 C ATOM 695 O THR A 51 -16.017 17.296 -28.482 1.00 0.00 O ATOM 696 CB THR A 51 -18.075 15.254 -28.948 1.00 0.00 C ATOM 697 OG1 THR A 51 -19.092 14.376 -28.415 1.00 0.00 O ATOM 698 CG2 THR A 51 -17.940 14.975 -30.441 1.00 0.00 C ATOM 0 H THR A 51 -16.927 15.864 -26.339 1.00 0.00 H new ATOM 0 HA THR A 51 -16.351 14.025 -28.563 1.00 0.00 H new ATOM 0 HB THR A 51 -18.353 16.296 -28.788 1.00 0.00 H new ATOM 0 HG1 THR A 51 -19.942 14.545 -28.872 1.00 0.00 H new ATOM 0 HG21 THR A 51 -18.894 15.161 -30.934 1.00 0.00 H new ATOM 0 HG22 THR A 51 -17.179 15.629 -30.866 1.00 0.00 H new ATOM 0 HG23 THR A 51 -17.650 13.935 -30.592 1.00 0.00 H new ATOM 706 N ALA A 52 -14.537 15.697 -28.983 1.00 0.00 N ATOM 707 CA ALA A 52 -13.489 16.634 -29.330 1.00 0.00 C ATOM 708 C ALA A 52 -12.865 16.203 -30.634 1.00 0.00 C ATOM 709 O ALA A 52 -12.588 15.022 -30.824 1.00 0.00 O ATOM 710 CB ALA A 52 -12.454 16.711 -28.216 1.00 0.00 C ATOM 0 H ALA A 52 -14.272 14.717 -29.080 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.908 17.633 -29.451 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.673 17.420 -28.493 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.934 17.042 -27.295 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.012 15.727 -28.061 1.00 0.00 H new ATOM 716 N ARG A 53 -12.698 17.159 -31.550 1.00 0.00 N ATOM 717 CA ARG A 53 -12.206 16.914 -32.925 1.00 0.00 C ATOM 718 C ARG A 53 -13.097 15.937 -33.664 1.00 0.00 C ATOM 719 O ARG A 53 -12.697 15.303 -34.643 1.00 0.00 O ATOM 720 CB ARG A 53 -10.738 16.459 -32.964 1.00 0.00 C ATOM 721 CG ARG A 53 -9.771 17.548 -32.573 1.00 0.00 C ATOM 722 CD ARG A 53 -8.315 17.151 -32.821 1.00 0.00 C ATOM 723 NE ARG A 53 -7.797 16.122 -31.898 1.00 0.00 N ATOM 724 CZ ARG A 53 -6.888 15.179 -32.231 1.00 0.00 C ATOM 725 NH1 ARG A 53 -6.606 14.938 -33.506 1.00 0.00 N1+ ATOM 726 NH2 ARG A 53 -6.308 14.447 -31.292 1.00 0.00 N ATOM 0 H ARG A 53 -12.901 18.141 -31.364 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.249 17.874 -33.439 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.609 15.609 -32.294 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.498 16.112 -33.969 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.999 18.453 -33.137 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.905 17.788 -31.518 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.220 16.785 -33.843 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.690 18.041 -32.741 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.150 16.123 -30.941 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.076 15.466 -34.241 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.919 14.225 -33.750 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.547 14.593 -30.311 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.623 13.737 -31.550 1.00 0.00 H new ATOM 740 N GLY A 54 -14.333 15.893 -33.238 1.00 0.00 N ATOM 741 CA GLY A 54 -15.317 15.022 -33.832 1.00 0.00 C ATOM 742 C GLY A 54 -15.271 13.619 -33.257 1.00 0.00 C ATOM 743 O GLY A 54 -16.089 12.774 -33.603 1.00 0.00 O ATOM 0 H GLY A 54 -14.687 16.461 -32.468 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.311 15.442 -33.677 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.154 14.976 -34.909 1.00 0.00 H new ATOM 747 N HIS A 55 -14.331 13.367 -32.376 1.00 0.00 N ATOM 748 CA HIS A 55 -14.189 12.066 -31.791 1.00 0.00 C ATOM 749 C HIS A 55 -15.001 11.992 -30.523 1.00 0.00 C ATOM 750 O HIS A 55 -14.928 12.888 -29.667 1.00 0.00 O ATOM 751 CB HIS A 55 -12.717 11.725 -31.515 1.00 0.00 C ATOM 752 CG HIS A 55 -11.847 11.659 -32.739 1.00 0.00 C ATOM 753 ND1 HIS A 55 -11.565 10.497 -33.420 1.00 0.00 N ATOM 754 CD2 HIS A 55 -11.181 12.641 -33.395 1.00 0.00 C ATOM 755 CE1 HIS A 55 -10.765 10.796 -34.438 1.00 0.00 C ATOM 756 NE2 HIS A 55 -10.497 12.087 -34.474 1.00 0.00 N ATOM 0 H HIS A 55 -13.652 14.055 -32.051 1.00 0.00 H new ATOM 0 HA HIS A 55 -14.561 11.328 -32.502 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.307 12.471 -30.834 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -12.671 10.765 -31.001 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -11.181 13.686 -33.124 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.383 10.075 -35.145 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.911 12.577 -35.150 1.00 0.00 H new ATOM 764 N GLU A 56 -15.782 10.958 -30.415 1.00 0.00 N ATOM 765 CA GLU A 56 -16.644 10.754 -29.289 1.00 0.00 C ATOM 766 C GLU A 56 -15.990 9.830 -28.310 1.00 0.00 C ATOM 767 O GLU A 56 -15.649 8.687 -28.642 1.00 0.00 O ATOM 768 CB GLU A 56 -17.950 10.142 -29.731 1.00 0.00 C ATOM 769 CG GLU A 56 -18.736 10.995 -30.685 1.00 0.00 C ATOM 770 CD GLU A 56 -19.971 10.289 -31.149 1.00 0.00 C ATOM 771 OE1 GLU A 56 -19.889 9.475 -32.088 1.00 0.00 O1- ATOM 772 OE2 GLU A 56 -21.048 10.495 -30.555 1.00 0.00 O ATOM 0 H GLU A 56 -15.839 10.221 -31.118 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.834 11.721 -28.823 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.747 9.181 -30.203 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.561 9.942 -28.851 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -19.010 11.931 -30.199 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.116 11.251 -31.544 1.00 0.00 H new ATOM 779 N PHE A 57 -15.803 10.305 -27.133 1.00 0.00 N ATOM 780 CA PHE A 57 -15.226 9.538 -26.108 1.00 0.00 C ATOM 781 C PHE A 57 -16.249 9.379 -25.024 1.00 0.00 C ATOM 782 O PHE A 57 -16.565 10.343 -24.326 1.00 0.00 O ATOM 783 CB PHE A 57 -14.004 10.254 -25.536 1.00 0.00 C ATOM 784 CG PHE A 57 -13.011 10.701 -26.565 1.00 0.00 C ATOM 785 CD1 PHE A 57 -12.165 9.794 -27.178 1.00 0.00 C ATOM 786 CD2 PHE A 57 -12.937 12.034 -26.929 1.00 0.00 C ATOM 787 CE1 PHE A 57 -11.261 10.211 -28.133 1.00 0.00 C ATOM 788 CE2 PHE A 57 -12.041 12.455 -27.882 1.00 0.00 C ATOM 789 CZ PHE A 57 -11.200 11.544 -28.485 1.00 0.00 C ATOM 0 H PHE A 57 -16.053 11.255 -26.857 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.914 8.570 -26.500 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.339 11.123 -24.970 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.505 9.589 -24.832 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.213 8.750 -26.906 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.592 12.752 -26.458 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.603 9.496 -28.604 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.996 13.498 -28.158 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.494 11.873 -29.233 1.00 0.00 H new ATOM 799 N GLU A 58 -16.817 8.219 -24.920 1.00 0.00 N ATOM 800 CA GLU A 58 -17.714 7.966 -23.841 1.00 0.00 C ATOM 801 C GLU A 58 -16.832 7.560 -22.690 1.00 0.00 C ATOM 802 O GLU A 58 -16.212 6.480 -22.706 1.00 0.00 O ATOM 803 CB GLU A 58 -18.701 6.853 -24.204 1.00 0.00 C ATOM 804 CG GLU A 58 -19.782 6.552 -23.156 1.00 0.00 C ATOM 805 CD GLU A 58 -20.806 7.656 -22.989 1.00 0.00 C ATOM 806 OE1 GLU A 58 -21.181 8.293 -23.987 1.00 0.00 O ATOM 807 OE2 GLU A 58 -21.327 7.849 -21.865 1.00 0.00 O1- ATOM 0 H GLU A 58 -16.677 7.440 -25.563 1.00 0.00 H new ATOM 0 HA GLU A 58 -18.321 8.838 -23.597 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -19.193 7.120 -25.140 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -18.137 5.939 -24.390 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -20.297 5.633 -23.435 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.301 6.369 -22.195 1.00 0.00 H new ATOM 814 N VAL A 59 -16.713 8.433 -21.749 1.00 0.00 N ATOM 815 CA VAL A 59 -15.858 8.214 -20.638 1.00 0.00 C ATOM 816 C VAL A 59 -16.661 7.647 -19.505 1.00 0.00 C ATOM 817 O VAL A 59 -17.796 8.073 -19.241 1.00 0.00 O ATOM 818 CB VAL A 59 -15.094 9.504 -20.194 1.00 0.00 C ATOM 819 CG1 VAL A 59 -14.172 9.989 -21.301 1.00 0.00 C ATOM 820 CG2 VAL A 59 -16.051 10.617 -19.796 1.00 0.00 C ATOM 0 H VAL A 59 -17.210 9.324 -21.731 1.00 0.00 H new ATOM 0 HA VAL A 59 -15.090 7.503 -20.941 1.00 0.00 H new ATOM 0 HB VAL A 59 -14.498 9.241 -19.320 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -13.650 10.887 -20.972 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.445 9.212 -21.535 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -14.760 10.216 -22.191 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -15.481 11.496 -19.494 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -16.687 10.871 -20.644 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -16.671 10.283 -18.964 1.00 0.00 H new ATOM 830 N GLU A 60 -16.102 6.698 -18.879 1.00 0.00 N ATOM 831 CA GLU A 60 -16.706 6.006 -17.816 1.00 0.00 C ATOM 832 C GLU A 60 -15.984 6.398 -16.545 1.00 0.00 C ATOM 833 O GLU A 60 -14.848 5.982 -16.288 1.00 0.00 O ATOM 834 CB GLU A 60 -16.581 4.514 -18.122 1.00 0.00 C ATOM 835 CG GLU A 60 -17.212 3.567 -17.142 1.00 0.00 C ATOM 836 CD GLU A 60 -16.998 2.134 -17.567 1.00 0.00 C ATOM 837 OE1 GLU A 60 -15.925 1.574 -17.290 1.00 0.00 O ATOM 838 OE2 GLU A 60 -17.919 1.519 -18.164 1.00 0.00 O1- ATOM 0 H GLU A 60 -15.165 6.363 -19.102 1.00 0.00 H new ATOM 0 HA GLU A 60 -17.762 6.246 -17.691 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.020 4.330 -19.103 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.521 4.270 -18.196 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.786 3.725 -16.151 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.280 3.773 -17.066 1.00 0.00 H new ATOM 845 N ALA A 61 -16.621 7.227 -15.772 1.00 0.00 N ATOM 846 CA ALA A 61 -16.025 7.705 -14.557 1.00 0.00 C ATOM 847 C ALA A 61 -16.245 6.710 -13.446 1.00 0.00 C ATOM 848 O ALA A 61 -17.292 6.696 -12.804 1.00 0.00 O ATOM 849 CB ALA A 61 -16.546 9.078 -14.188 1.00 0.00 C ATOM 0 H ALA A 61 -17.556 7.588 -15.961 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.952 7.807 -14.716 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -16.074 9.410 -13.263 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.314 9.782 -14.987 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -17.626 9.032 -14.048 1.00 0.00 H new ATOM 855 N LYS A 62 -15.293 5.837 -13.289 1.00 0.00 N ATOM 856 CA LYS A 62 -15.344 4.790 -12.289 1.00 0.00 C ATOM 857 C LYS A 62 -14.917 5.258 -10.942 1.00 0.00 C ATOM 858 O LYS A 62 -15.681 5.210 -9.984 1.00 0.00 O ATOM 859 CB LYS A 62 -14.433 3.653 -12.708 1.00 0.00 C ATOM 860 CG LYS A 62 -14.990 2.760 -13.739 1.00 0.00 C ATOM 861 CD LYS A 62 -16.019 1.826 -13.136 1.00 0.00 C ATOM 862 CE LYS A 62 -16.756 1.066 -14.192 1.00 0.00 C ATOM 863 NZ LYS A 62 -15.875 0.209 -15.014 1.00 0.00 N1+ ATOM 0 H LYS A 62 -14.445 5.825 -13.855 1.00 0.00 H new ATOM 0 HA LYS A 62 -16.383 4.467 -12.220 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.498 4.073 -13.079 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -14.188 3.059 -11.827 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.448 3.352 -14.531 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -14.189 2.180 -14.197 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.526 1.127 -12.461 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -16.727 2.400 -12.539 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -17.518 0.446 -13.720 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.276 1.770 -14.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.416 -0.604 -15.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.506 0.759 -15.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.082 -0.131 -14.434 1.00 0.00 H new ATOM 877 N ASP A 63 -13.727 5.750 -10.877 1.00 0.00 N ATOM 878 CA ASP A 63 -13.133 6.044 -9.627 1.00 0.00 C ATOM 879 C ASP A 63 -13.084 7.529 -9.384 1.00 0.00 C ATOM 880 O ASP A 63 -12.790 8.311 -10.298 1.00 0.00 O ATOM 881 CB ASP A 63 -11.748 5.414 -9.586 1.00 0.00 C ATOM 882 CG ASP A 63 -11.036 5.648 -8.304 1.00 0.00 C ATOM 883 OD1 ASP A 63 -10.422 6.682 -8.168 1.00 0.00 O ATOM 884 OD2 ASP A 63 -11.086 4.787 -7.417 1.00 0.00 O1- ATOM 0 H ASP A 63 -13.144 5.958 -11.688 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.737 5.623 -8.824 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.839 4.341 -9.753 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.150 5.814 -10.405 1.00 0.00 H new ATOM 889 N GLN A 64 -13.360 7.906 -8.146 1.00 0.00 N ATOM 890 CA GLN A 64 -13.406 9.299 -7.694 1.00 0.00 C ATOM 891 C GLN A 64 -12.021 9.978 -7.639 1.00 0.00 C ATOM 892 O GLN A 64 -11.864 11.041 -7.053 1.00 0.00 O ATOM 893 CB GLN A 64 -14.126 9.396 -6.341 1.00 0.00 C ATOM 894 CG GLN A 64 -13.512 8.541 -5.247 1.00 0.00 C ATOM 895 CD GLN A 64 -14.261 8.624 -3.927 1.00 0.00 C ATOM 896 OE1 GLN A 64 -13.664 8.487 -2.866 1.00 0.00 O ATOM 897 NE2 GLN A 64 -15.562 8.803 -3.969 1.00 0.00 N ATOM 0 H GLN A 64 -13.565 7.238 -7.403 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.973 9.851 -8.444 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -14.127 10.436 -6.016 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.167 9.103 -6.474 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.487 7.503 -5.578 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -12.479 8.851 -5.090 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -16.033 8.914 -4.867 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -16.101 8.831 -3.104 1.00 0.00 H new ATOM 906 N ASN A 65 -11.028 9.365 -8.225 1.00 0.00 N ATOM 907 CA ASN A 65 -9.747 10.010 -8.379 1.00 0.00 C ATOM 908 C ASN A 65 -9.595 10.419 -9.821 1.00 0.00 C ATOM 909 O ASN A 65 -8.529 10.872 -10.238 1.00 0.00 O ATOM 910 CB ASN A 65 -8.578 9.104 -7.967 1.00 0.00 C ATOM 911 CG ASN A 65 -8.532 8.796 -6.480 1.00 0.00 C ATOM 912 OD1 ASN A 65 -7.910 9.526 -5.687 1.00 0.00 O ATOM 913 ND2 ASN A 65 -9.154 7.729 -6.089 1.00 0.00 N ATOM 0 H ASN A 65 -11.079 8.420 -8.605 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.718 10.877 -7.720 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.645 8.167 -8.520 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.642 9.580 -8.259 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.144 7.465 -5.104 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.654 7.153 -6.766 1.00 0.00 H new ATOM 920 N CYS A 66 -10.681 10.225 -10.587 1.00 0.00 N ATOM 921 CA CYS A 66 -10.739 10.567 -11.998 1.00 0.00 C ATOM 922 C CYS A 66 -9.917 9.628 -12.816 1.00 0.00 C ATOM 923 O CYS A 66 -9.234 10.032 -13.760 1.00 0.00 O ATOM 924 CB CYS A 66 -10.386 12.035 -12.281 1.00 0.00 C ATOM 925 SG CYS A 66 -11.686 13.201 -11.798 1.00 0.00 S ATOM 0 H CYS A 66 -11.547 9.821 -10.230 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.780 10.452 -12.301 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -9.468 12.288 -11.751 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -10.182 12.152 -13.345 1.00 0.00 H new ATOM 930 N LYS A 67 -9.977 8.356 -12.441 1.00 0.00 N ATOM 931 CA LYS A 67 -9.368 7.316 -13.191 1.00 0.00 C ATOM 932 C LYS A 67 -10.135 7.243 -14.500 1.00 0.00 C ATOM 933 O LYS A 67 -11.261 6.722 -14.541 1.00 0.00 O ATOM 934 CB LYS A 67 -9.507 6.002 -12.430 1.00 0.00 C ATOM 935 CG LYS A 67 -8.522 4.890 -12.746 1.00 0.00 C ATOM 936 CD LYS A 67 -7.135 5.319 -12.382 1.00 0.00 C ATOM 937 CE LYS A 67 -6.408 5.856 -13.576 1.00 0.00 C ATOM 938 NZ LYS A 67 -5.111 6.458 -13.218 1.00 0.00 N1+ ATOM 0 H LYS A 67 -10.457 8.037 -11.600 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.307 7.499 -13.362 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.432 6.223 -11.365 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.512 5.618 -12.606 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.789 3.988 -12.195 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.569 4.642 -13.806 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.179 6.082 -11.605 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.586 4.473 -11.968 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.247 5.051 -14.293 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.029 6.603 -14.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.645 6.815 -14.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.264 7.244 -12.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.507 5.740 -12.770 1.00 0.00 H new ATOM 952 N VAL A 68 -9.577 7.825 -15.519 1.00 0.00 N ATOM 953 CA VAL A 68 -10.264 7.947 -16.767 1.00 0.00 C ATOM 954 C VAL A 68 -10.213 6.664 -17.577 1.00 0.00 C ATOM 955 O VAL A 68 -9.166 6.242 -18.080 1.00 0.00 O ATOM 956 CB VAL A 68 -9.828 9.203 -17.592 1.00 0.00 C ATOM 957 CG1 VAL A 68 -8.339 9.212 -17.912 1.00 0.00 C ATOM 958 CG2 VAL A 68 -10.664 9.335 -18.855 1.00 0.00 C ATOM 0 H VAL A 68 -8.639 8.226 -15.508 1.00 0.00 H new ATOM 0 HA VAL A 68 -11.312 8.116 -16.519 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.011 10.074 -16.962 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.095 10.106 -18.485 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.767 9.209 -16.984 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.087 8.327 -18.496 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.344 10.215 -19.413 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.533 8.446 -19.472 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -11.715 9.439 -18.586 1.00 0.00 H new ATOM 968 N ILE A 69 -11.332 6.030 -17.632 1.00 0.00 N ATOM 969 CA ILE A 69 -11.516 4.821 -18.358 1.00 0.00 C ATOM 970 C ILE A 69 -12.651 5.072 -19.299 1.00 0.00 C ATOM 971 O ILE A 69 -13.603 5.717 -18.942 1.00 0.00 O ATOM 972 CB ILE A 69 -11.872 3.655 -17.390 1.00 0.00 C ATOM 973 CG1 ILE A 69 -10.732 3.460 -16.391 1.00 0.00 C ATOM 974 CG2 ILE A 69 -12.137 2.359 -18.159 1.00 0.00 C ATOM 975 CD1 ILE A 69 -11.060 2.559 -15.220 1.00 0.00 C ATOM 0 H ILE A 69 -12.175 6.350 -17.156 1.00 0.00 H new ATOM 0 HA ILE A 69 -10.608 4.537 -18.890 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.785 3.912 -16.854 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.872 3.047 -16.919 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -10.433 4.436 -16.008 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -12.383 1.563 -17.456 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.970 2.507 -18.846 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -11.247 2.082 -18.724 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.191 2.481 -14.566 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.897 2.978 -14.662 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -11.328 1.568 -15.587 1.00 0.00 H new ATOM 987 N LEU A 70 -12.513 4.661 -20.495 1.00 0.00 N ATOM 988 CA LEU A 70 -13.560 4.817 -21.463 1.00 0.00 C ATOM 989 C LEU A 70 -14.262 3.502 -21.673 1.00 0.00 C ATOM 990 O LEU A 70 -13.774 2.444 -21.267 1.00 0.00 O ATOM 991 CB LEU A 70 -13.039 5.352 -22.804 1.00 0.00 C ATOM 992 CG LEU A 70 -12.717 6.842 -22.955 1.00 0.00 C ATOM 993 CD1 LEU A 70 -11.707 7.312 -21.940 1.00 0.00 C ATOM 994 CD2 LEU A 70 -12.202 7.114 -24.358 1.00 0.00 C ATOM 0 H LEU A 70 -11.673 4.203 -20.849 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.261 5.553 -21.070 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.132 4.797 -23.045 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.779 5.100 -23.564 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.638 7.398 -22.780 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.511 8.374 -22.087 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.098 7.151 -20.936 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.780 6.752 -22.063 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.974 8.175 -24.463 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.299 6.529 -24.534 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.963 6.833 -25.086 1.00 0.00 H new ATOM 1006 N THR A 71 -15.345 3.566 -22.375 1.00 0.00 N ATOM 1007 CA THR A 71 -16.208 2.430 -22.615 1.00 0.00 C ATOM 1008 C THR A 71 -15.638 1.523 -23.691 1.00 0.00 C ATOM 1009 O THR A 71 -16.094 0.398 -23.896 1.00 0.00 O ATOM 1010 CB THR A 71 -17.608 2.910 -23.001 1.00 0.00 C ATOM 1011 OG1 THR A 71 -17.487 3.906 -24.030 1.00 0.00 O ATOM 1012 CG2 THR A 71 -18.322 3.502 -21.795 1.00 0.00 C ATOM 0 H THR A 71 -15.673 4.427 -22.814 1.00 0.00 H new ATOM 0 HA THR A 71 -16.274 1.849 -21.695 1.00 0.00 H new ATOM 0 HB THR A 71 -18.192 2.064 -23.363 1.00 0.00 H new ATOM 0 HG1 THR A 71 -18.194 3.776 -24.696 1.00 0.00 H new ATOM 0 HG21 THR A 71 -19.316 3.838 -22.090 1.00 0.00 H new ATOM 0 HG22 THR A 71 -18.411 2.744 -21.017 1.00 0.00 H new ATOM 0 HG23 THR A 71 -17.751 4.349 -21.414 1.00 0.00 H new ATOM 1020 N ASN A 72 -14.631 2.018 -24.362 1.00 0.00 N ATOM 1021 CA ASN A 72 -13.931 1.269 -25.369 1.00 0.00 C ATOM 1022 C ASN A 72 -12.808 0.478 -24.702 1.00 0.00 C ATOM 1023 O ASN A 72 -12.085 -0.283 -25.350 1.00 0.00 O ATOM 1024 CB ASN A 72 -13.390 2.214 -26.458 1.00 0.00 C ATOM 1025 CG ASN A 72 -12.275 3.138 -25.985 1.00 0.00 C ATOM 1026 OD1 ASN A 72 -12.130 3.401 -24.802 1.00 0.00 O ATOM 1027 ND2 ASN A 72 -11.531 3.683 -26.904 1.00 0.00 N ATOM 0 H ASN A 72 -14.271 2.962 -24.222 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.610 0.570 -25.857 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.022 1.616 -27.292 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -14.212 2.820 -26.839 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.804 4.349 -26.643 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.675 3.444 -27.885 1.00 0.00 H new ATOM 1034 N GLY A 73 -12.655 0.706 -23.398 1.00 0.00 N ATOM 1035 CA GLY A 73 -11.713 -0.004 -22.600 1.00 0.00 C ATOM 1036 C GLY A 73 -10.402 0.708 -22.518 1.00 0.00 C ATOM 1037 O GLY A 73 -9.450 0.196 -21.934 1.00 0.00 O ATOM 0 H GLY A 73 -13.196 1.399 -22.881 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.116 -0.139 -21.596 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.560 -0.999 -23.018 1.00 0.00 H new ATOM 1041 N LYS A 74 -10.339 1.904 -23.060 1.00 0.00 N ATOM 1042 CA LYS A 74 -9.095 2.601 -23.098 1.00 0.00 C ATOM 1043 C LYS A 74 -9.027 3.652 -22.032 1.00 0.00 C ATOM 1044 O LYS A 74 -10.046 4.166 -21.592 1.00 0.00 O ATOM 1045 CB LYS A 74 -8.825 3.182 -24.481 1.00 0.00 C ATOM 1046 CG LYS A 74 -8.754 2.135 -25.593 1.00 0.00 C ATOM 1047 CD LYS A 74 -7.663 1.102 -25.336 1.00 0.00 C ATOM 1048 CE LYS A 74 -7.650 0.032 -26.417 1.00 0.00 C ATOM 1049 NZ LYS A 74 -7.368 0.588 -27.754 1.00 0.00 N1+ ATOM 0 H LYS A 74 -11.129 2.400 -23.473 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.305 1.879 -22.892 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.609 3.900 -24.722 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.885 3.733 -24.455 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.717 1.632 -25.679 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.567 2.630 -26.546 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.692 1.597 -25.299 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.821 0.637 -24.363 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.898 -0.719 -26.173 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.614 -0.476 -26.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.185 -0.188 -28.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.187 1.140 -28.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.533 1.205 -27.704 1.00 0.00 H new ATOM 1063 N GLN A 75 -7.830 3.967 -21.630 1.00 0.00 N ATOM 1064 CA GLN A 75 -7.581 4.934 -20.568 1.00 0.00 C ATOM 1065 C GLN A 75 -7.439 6.362 -21.087 1.00 0.00 C ATOM 1066 O GLN A 75 -6.702 7.161 -20.503 1.00 0.00 O ATOM 1067 CB GLN A 75 -6.352 4.543 -19.749 1.00 0.00 C ATOM 1068 CG GLN A 75 -6.536 3.293 -18.908 1.00 0.00 C ATOM 1069 CD GLN A 75 -5.340 3.015 -18.021 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -4.410 2.291 -18.394 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -5.325 3.624 -16.864 1.00 0.00 N ATOM 0 H GLN A 75 -6.982 3.563 -22.026 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.460 4.914 -19.924 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -5.511 4.391 -20.426 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.087 5.373 -19.093 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -7.427 3.402 -18.289 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -6.706 2.439 -19.563 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -6.110 4.214 -16.588 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -4.528 3.509 -16.237 1.00 0.00 H new ATOM 1080 N ALA A 76 -8.179 6.669 -22.153 1.00 0.00 N ATOM 1081 CA ALA A 76 -8.260 8.010 -22.772 1.00 0.00 C ATOM 1082 C ALA A 76 -7.010 8.440 -23.541 1.00 0.00 C ATOM 1083 O ALA A 76 -5.889 7.982 -23.265 1.00 0.00 O ATOM 1084 CB ALA A 76 -8.630 9.086 -21.746 1.00 0.00 C ATOM 0 H ALA A 76 -8.758 5.978 -22.630 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.056 7.913 -23.511 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.680 10.057 -22.239 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.600 8.852 -21.307 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.874 9.116 -20.961 1.00 0.00 H new ATOM 1090 N PRO A 77 -7.207 9.295 -24.571 1.00 0.00 N ATOM 1091 CA PRO A 77 -6.109 9.955 -25.274 1.00 0.00 C ATOM 1092 C PRO A 77 -5.263 10.776 -24.294 1.00 0.00 C ATOM 1093 O PRO A 77 -5.788 11.340 -23.326 1.00 0.00 O ATOM 1094 CB PRO A 77 -6.834 10.901 -26.235 1.00 0.00 C ATOM 1095 CG PRO A 77 -8.153 10.278 -26.457 1.00 0.00 C ATOM 1096 CD PRO A 77 -8.519 9.638 -25.160 1.00 0.00 C ATOM 0 HA PRO A 77 -5.436 9.253 -25.767 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.935 11.898 -25.807 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.286 11.010 -27.171 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.894 11.022 -26.749 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.108 9.541 -27.259 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.082 10.317 -24.520 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.138 8.753 -25.308 1.00 0.00 H new ATOM 1104 N ASP A 78 -3.984 10.888 -24.580 1.00 0.00 N ATOM 1105 CA ASP A 78 -3.026 11.570 -23.695 1.00 0.00 C ATOM 1106 C ASP A 78 -3.318 13.059 -23.569 1.00 0.00 C ATOM 1107 O ASP A 78 -2.917 13.700 -22.592 1.00 0.00 O ATOM 1108 CB ASP A 78 -1.574 11.361 -24.162 1.00 0.00 C ATOM 1109 CG ASP A 78 -1.261 11.973 -25.513 1.00 0.00 C ATOM 1110 OD1 ASP A 78 -1.470 11.298 -26.542 1.00 0.00 O1- ATOM 1111 OD2 ASP A 78 -0.777 13.119 -25.570 1.00 0.00 O ATOM 0 H ASP A 78 -3.565 10.513 -25.431 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.146 11.117 -22.711 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.900 11.786 -23.418 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.368 10.291 -24.204 1.00 0.00 H new ATOM 1116 N TRP A 79 -4.034 13.590 -24.530 1.00 0.00 N ATOM 1117 CA TRP A 79 -4.379 14.992 -24.547 1.00 0.00 C ATOM 1118 C TRP A 79 -5.719 15.257 -23.858 1.00 0.00 C ATOM 1119 O TRP A 79 -6.147 16.384 -23.762 1.00 0.00 O ATOM 1120 CB TRP A 79 -4.389 15.524 -25.985 1.00 0.00 C ATOM 1121 CG TRP A 79 -5.282 14.773 -26.911 1.00 0.00 C ATOM 1122 CD1 TRP A 79 -4.911 13.765 -27.715 1.00 0.00 C ATOM 1123 CD2 TRP A 79 -6.688 14.975 -27.133 1.00 0.00 C ATOM 1124 NE1 TRP A 79 -5.982 13.308 -28.424 1.00 0.00 N ATOM 1125 CE2 TRP A 79 -7.087 14.034 -28.086 1.00 0.00 C ATOM 1126 CE3 TRP A 79 -7.644 15.853 -26.614 1.00 0.00 C ATOM 1127 CZ2 TRP A 79 -8.390 13.940 -28.542 1.00 0.00 C ATOM 1128 CZ3 TRP A 79 -8.941 15.757 -27.066 1.00 0.00 C ATOM 1129 CH2 TRP A 79 -9.301 14.805 -28.022 1.00 0.00 C ATOM 0 H TRP A 79 -4.395 13.062 -25.324 1.00 0.00 H new ATOM 0 HA TRP A 79 -3.615 15.527 -23.982 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -4.697 16.570 -25.971 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -3.372 15.496 -26.377 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -3.908 13.372 -27.790 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -5.961 12.544 -29.100 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.371 16.591 -25.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -8.673 13.207 -29.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -9.691 16.428 -26.675 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.327 14.755 -28.356 1.00 0.00 H new ATOM 1140 N LEU A 80 -6.382 14.227 -23.407 1.00 0.00 N ATOM 1141 CA LEU A 80 -7.633 14.408 -22.725 1.00 0.00 C ATOM 1142 C LEU A 80 -7.332 14.498 -21.244 1.00 0.00 C ATOM 1143 O LEU A 80 -6.783 13.557 -20.657 1.00 0.00 O ATOM 1144 CB LEU A 80 -8.601 13.253 -23.037 1.00 0.00 C ATOM 1145 CG LEU A 80 -10.010 13.373 -22.443 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -10.721 14.619 -22.959 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -10.834 12.131 -22.743 1.00 0.00 C ATOM 0 H LEU A 80 -6.078 13.258 -23.499 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.125 15.321 -23.061 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.692 13.165 -24.120 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.155 12.325 -22.678 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.905 13.464 -21.362 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.717 14.677 -22.521 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.150 15.505 -22.681 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.805 14.567 -24.045 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.829 12.241 -22.311 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.919 12.003 -23.822 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.346 11.257 -22.311 1.00 0.00 H new ATOM 1159 N ALA A 81 -7.638 15.618 -20.655 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.289 15.852 -19.278 1.00 0.00 C ATOM 1161 C ALA A 81 -8.513 15.828 -18.408 1.00 0.00 C ATOM 1162 O ALA A 81 -9.603 16.167 -18.864 1.00 0.00 O ATOM 1163 CB ALA A 81 -6.554 17.171 -19.134 1.00 0.00 C ATOM 0 H ALA A 81 -8.131 16.388 -21.107 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.625 15.051 -18.951 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.298 17.332 -18.087 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.642 17.147 -19.731 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.193 17.983 -19.480 1.00 0.00 H new ATOM 1169 N ALA A 82 -8.332 15.417 -17.175 1.00 0.00 N ATOM 1170 CA ALA A 82 -9.411 15.327 -16.215 1.00 0.00 C ATOM 1171 C ALA A 82 -8.944 15.776 -14.826 1.00 0.00 C ATOM 1172 O ALA A 82 -7.844 15.405 -14.375 1.00 0.00 O ATOM 1173 CB ALA A 82 -9.937 13.899 -16.162 1.00 0.00 C ATOM 0 H ALA A 82 -7.425 15.133 -16.805 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.215 15.991 -16.532 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.749 13.837 -15.438 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.306 13.610 -17.146 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.133 13.226 -15.864 1.00 0.00 H new ATOM 1179 N GLU A 83 -9.753 16.583 -14.172 1.00 0.00 N ATOM 1180 CA GLU A 83 -9.480 17.062 -12.825 1.00 0.00 C ATOM 1181 C GLU A 83 -10.688 16.775 -11.940 1.00 0.00 C ATOM 1182 O GLU A 83 -11.819 17.035 -12.350 1.00 0.00 O ATOM 1183 CB GLU A 83 -9.190 18.569 -12.811 1.00 0.00 C ATOM 1184 CG GLU A 83 -8.063 18.992 -13.725 1.00 0.00 C ATOM 1185 CD GLU A 83 -7.702 20.446 -13.584 1.00 0.00 C ATOM 1186 OE1 GLU A 83 -8.600 21.314 -13.608 1.00 0.00 O ATOM 1187 OE2 GLU A 83 -6.492 20.753 -13.489 1.00 0.00 O1- ATOM 0 H GLU A 83 -10.629 16.931 -14.561 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.597 16.544 -12.450 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.095 19.104 -13.097 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.949 18.872 -11.792 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.184 18.383 -13.513 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.347 18.793 -14.758 1.00 0.00 H new ATOM 1194 N PRO A 84 -10.477 16.215 -10.743 1.00 0.00 N ATOM 1195 CA PRO A 84 -11.562 15.872 -9.812 1.00 0.00 C ATOM 1196 C PRO A 84 -12.318 17.107 -9.302 1.00 0.00 C ATOM 1197 O PRO A 84 -11.712 18.070 -8.810 1.00 0.00 O ATOM 1198 CB PRO A 84 -10.811 15.179 -8.664 1.00 0.00 C ATOM 1199 CG PRO A 84 -9.433 15.705 -8.747 1.00 0.00 C ATOM 1200 CD PRO A 84 -9.168 15.827 -10.198 1.00 0.00 C ATOM 0 HA PRO A 84 -12.331 15.257 -10.279 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.265 15.407 -7.699 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.829 14.095 -8.776 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.345 16.669 -8.245 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.722 15.031 -8.269 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.406 16.577 -10.407 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.816 14.888 -10.624 1.00 0.00 H new ATOM 1208 N TYR A 85 -13.616 17.080 -9.422 1.00 0.00 N ATOM 1209 CA TYR A 85 -14.459 18.167 -9.003 1.00 0.00 C ATOM 1210 C TYR A 85 -15.267 17.738 -7.801 1.00 0.00 C ATOM 1211 O TYR A 85 -14.949 18.192 -6.688 1.00 0.00 O ATOM 1212 CB TYR A 85 -15.374 18.620 -10.150 1.00 0.00 C ATOM 1213 CG TYR A 85 -16.326 19.745 -9.793 1.00 0.00 C ATOM 1214 CD1 TYR A 85 -15.905 21.065 -9.790 1.00 0.00 C ATOM 1215 CD2 TYR A 85 -17.651 19.483 -9.478 1.00 0.00 C ATOM 1216 CE1 TYR A 85 -16.778 22.088 -9.481 1.00 0.00 C ATOM 1217 CE2 TYR A 85 -18.526 20.494 -9.167 1.00 0.00 C ATOM 1218 CZ TYR A 85 -18.088 21.796 -9.170 1.00 0.00 C ATOM 1219 OH TYR A 85 -18.974 22.818 -8.876 1.00 0.00 O ATOM 1220 OXT TYR A 85 -16.182 16.910 -7.952 1.00 0.00 O1- ATOM 0 H TYR A 85 -14.126 16.291 -9.819 1.00 0.00 H new ATOM 0 HA TYR A 85 -13.837 19.018 -8.726 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -14.754 18.939 -10.987 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -15.956 17.764 -10.492 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -14.879 21.297 -10.033 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -18.002 18.462 -9.477 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -16.436 23.112 -9.483 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -19.553 20.267 -8.921 1.00 0.00 H new ATOM 0 HH TYR A 85 -19.857 22.440 -8.680 1.00 0.00 H new