USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=14 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 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= 0.455 K(o=0.45,f=-2.6!) USER MOD Single : A 35 THR OG1 : rot -170:sc= -0.0586 USER MOD Single : A 40 MET CE :methyl 156:sc= -0.581 (180deg=-1.27) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 2:sc= 0.719 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0018 USER MOD Single : A 49 THR OG1 : rot -19:sc= 0.827 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.386 X(o=-0.39,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -161:sc= 1.25 (180deg=1.11) USER MOD Single : A 64 GLN : amide:sc=-0.00459 K(o=-0.0046,f=-0.96) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0.29) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 160:sc= -0.813 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 164:sc= -0.0568 (180deg=-0.334) USER MOD Single : A 75 GLN : amide:sc= -0.279 K(o=-0.28,f=-2.4!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N ALA A 22 -13.721 14.422 -5.087 1.00 0.00 N ATOM 225 CA ALA A 22 -14.313 14.830 -6.336 1.00 0.00 C ATOM 226 C ALA A 22 -15.744 14.347 -6.458 1.00 0.00 C ATOM 227 O ALA A 22 -16.051 13.168 -6.204 1.00 0.00 O ATOM 228 CB ALA A 22 -13.494 14.318 -7.498 1.00 0.00 C ATOM 0 HA ALA A 22 -14.323 15.920 -6.356 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.954 14.634 -8.434 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.483 14.721 -7.436 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.454 13.229 -7.463 1.00 0.00 H new ATOM 234 N ARG A 23 -16.606 15.239 -6.832 1.00 0.00 N ATOM 235 CA ARG A 23 -17.989 14.917 -7.050 1.00 0.00 C ATOM 236 C ARG A 23 -18.201 14.816 -8.537 1.00 0.00 C ATOM 237 O ARG A 23 -18.892 13.919 -9.044 1.00 0.00 O ATOM 238 CB ARG A 23 -18.899 15.983 -6.461 1.00 0.00 C ATOM 239 CG ARG A 23 -18.748 16.180 -4.960 1.00 0.00 C ATOM 240 CD ARG A 23 -19.670 17.277 -4.465 1.00 0.00 C ATOM 241 NE ARG A 23 -21.088 16.978 -4.736 1.00 0.00 N ATOM 242 CZ ARG A 23 -21.954 17.816 -5.329 1.00 0.00 C ATOM 243 NH1 ARG A 23 -21.545 18.997 -5.781 1.00 0.00 N1+ ATOM 244 NH2 ARG A 23 -23.225 17.465 -5.484 1.00 0.00 N ATOM 0 H ARG A 23 -16.373 16.218 -6.997 1.00 0.00 H new ATOM 0 HA ARG A 23 -18.234 13.976 -6.558 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -18.699 16.931 -6.961 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -19.934 15.720 -6.678 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -18.974 15.248 -4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -17.714 16.434 -4.724 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -19.528 17.412 -3.393 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -19.401 18.219 -4.944 1.00 0.00 H new ATOM 0 HE ARG A 23 -21.439 16.064 -4.451 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -20.568 19.272 -5.679 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -22.208 19.629 -6.230 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -23.547 16.556 -5.152 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -23.879 18.104 -5.935 1.00 0.00 H new ATOM 258 N PHE A 24 -17.575 15.718 -9.239 1.00 0.00 N ATOM 259 CA PHE A 24 -17.621 15.730 -10.656 1.00 0.00 C ATOM 260 C PHE A 24 -16.218 15.560 -11.172 1.00 0.00 C ATOM 261 O PHE A 24 -15.262 15.472 -10.399 1.00 0.00 O ATOM 262 CB PHE A 24 -18.209 17.047 -11.208 1.00 0.00 C ATOM 263 CG PHE A 24 -19.601 17.384 -10.741 1.00 0.00 C ATOM 264 CD1 PHE A 24 -20.709 16.935 -11.440 1.00 0.00 C ATOM 265 CD2 PHE A 24 -19.800 18.171 -9.615 1.00 0.00 C ATOM 266 CE1 PHE A 24 -21.984 17.261 -11.023 1.00 0.00 C ATOM 267 CE2 PHE A 24 -21.071 18.496 -9.195 1.00 0.00 C ATOM 268 CZ PHE A 24 -22.164 18.042 -9.901 1.00 0.00 C ATOM 0 H PHE A 24 -17.016 16.468 -8.831 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.269 14.919 -10.988 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -17.544 17.865 -10.931 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -18.213 16.994 -12.297 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -20.574 16.324 -12.320 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -18.947 18.533 -9.061 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -22.841 16.904 -11.576 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -21.211 19.105 -8.314 1.00 0.00 H new ATOM 0 HZ PHE A 24 -23.161 18.298 -9.575 1.00 0.00 H new ATOM 278 N CYS A 25 -16.104 15.483 -12.429 1.00 0.00 N ATOM 279 CA CYS A 25 -14.862 15.415 -13.082 1.00 0.00 C ATOM 280 C CYS A 25 -15.003 16.280 -14.301 1.00 0.00 C ATOM 281 O CYS A 25 -16.080 16.318 -14.928 1.00 0.00 O ATOM 282 CB CYS A 25 -14.559 13.984 -13.485 1.00 0.00 C ATOM 283 SG CYS A 25 -12.830 13.675 -13.929 1.00 0.00 S ATOM 0 H CYS A 25 -16.903 15.464 -13.063 1.00 0.00 H new ATOM 0 HA CYS A 25 -14.047 15.749 -12.440 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -14.833 13.323 -12.663 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -15.191 13.717 -14.332 1.00 0.00 H new ATOM 288 N VAL A 26 -13.989 16.989 -14.605 1.00 0.00 N ATOM 289 CA VAL A 26 -14.007 17.925 -15.688 1.00 0.00 C ATOM 290 C VAL A 26 -13.033 17.460 -16.739 1.00 0.00 C ATOM 291 O VAL A 26 -11.985 16.935 -16.418 1.00 0.00 O ATOM 292 CB VAL A 26 -13.594 19.337 -15.204 1.00 0.00 C ATOM 293 CG1 VAL A 26 -13.883 20.371 -16.262 1.00 0.00 C ATOM 294 CG2 VAL A 26 -14.277 19.700 -13.900 1.00 0.00 C ATOM 0 H VAL A 26 -13.100 16.945 -14.108 1.00 0.00 H new ATOM 0 HA VAL A 26 -15.017 17.980 -16.093 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.520 19.321 -15.022 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.585 21.355 -15.900 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.324 20.132 -17.167 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.950 20.375 -16.486 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.964 20.697 -13.590 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -15.358 19.686 -14.039 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.001 18.978 -13.131 1.00 0.00 H new ATOM 304 N TYR A 27 -13.391 17.625 -17.965 1.00 0.00 N ATOM 305 CA TYR A 27 -12.559 17.239 -19.060 1.00 0.00 C ATOM 306 C TYR A 27 -12.088 18.448 -19.784 1.00 0.00 C ATOM 307 O TYR A 27 -12.867 19.387 -20.014 1.00 0.00 O ATOM 308 CB TYR A 27 -13.291 16.294 -20.001 1.00 0.00 C ATOM 309 CG TYR A 27 -13.591 14.961 -19.367 1.00 0.00 C ATOM 310 CD1 TYR A 27 -14.718 14.775 -18.580 1.00 0.00 C ATOM 311 CD2 TYR A 27 -12.731 13.894 -19.535 1.00 0.00 C ATOM 312 CE1 TYR A 27 -14.973 13.562 -17.985 1.00 0.00 C ATOM 313 CE2 TYR A 27 -12.987 12.682 -18.945 1.00 0.00 C ATOM 314 CZ TYR A 27 -14.106 12.520 -18.170 1.00 0.00 C ATOM 315 OH TYR A 27 -14.355 11.305 -17.575 1.00 0.00 O ATOM 0 H TYR A 27 -14.282 18.037 -18.243 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.695 16.703 -18.667 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -14.224 16.758 -20.322 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.688 16.139 -20.896 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -15.405 15.595 -18.432 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.844 14.015 -20.139 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.854 13.432 -17.374 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.307 11.856 -19.091 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.643 10.674 -17.809 1.00 0.00 H new ATOM 325 N TYR A 28 -10.835 18.452 -20.104 1.00 0.00 N ATOM 326 CA TYR A 28 -10.219 19.537 -20.803 1.00 0.00 C ATOM 327 C TYR A 28 -9.467 19.022 -22.014 1.00 0.00 C ATOM 328 O TYR A 28 -9.073 17.845 -22.063 1.00 0.00 O ATOM 329 CB TYR A 28 -9.236 20.290 -19.899 1.00 0.00 C ATOM 330 CG TYR A 28 -9.820 20.972 -18.685 1.00 0.00 C ATOM 331 CD1 TYR A 28 -10.298 22.263 -18.765 1.00 0.00 C ATOM 332 CD2 TYR A 28 -9.871 20.328 -17.455 1.00 0.00 C ATOM 333 CE1 TYR A 28 -10.816 22.901 -17.661 1.00 0.00 C ATOM 334 CE2 TYR A 28 -10.387 20.960 -16.347 1.00 0.00 C ATOM 335 CZ TYR A 28 -10.859 22.247 -16.456 1.00 0.00 C ATOM 336 OH TYR A 28 -11.384 22.879 -15.358 1.00 0.00 O ATOM 0 H TYR A 28 -10.197 17.687 -19.883 1.00 0.00 H new ATOM 0 HA TYR A 28 -11.011 20.218 -21.116 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.476 19.586 -19.561 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.728 21.043 -20.501 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -10.265 22.783 -19.711 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.501 19.317 -17.367 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -11.187 23.912 -17.743 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.421 20.448 -15.397 1.00 0.00 H new ATOM 0 HH TYR A 28 -11.342 22.279 -14.584 1.00 0.00 H new ATOM 346 N ASP A 29 -9.289 19.904 -22.971 1.00 0.00 N ATOM 347 CA ASP A 29 -8.545 19.646 -24.191 1.00 0.00 C ATOM 348 C ASP A 29 -7.109 20.012 -23.939 1.00 0.00 C ATOM 349 O ASP A 29 -6.766 21.205 -23.852 1.00 0.00 O ATOM 350 CB ASP A 29 -9.086 20.515 -25.333 1.00 0.00 C ATOM 351 CG ASP A 29 -8.409 20.269 -26.674 1.00 0.00 C ATOM 352 OD1 ASP A 29 -7.408 20.951 -27.008 1.00 0.00 O ATOM 353 OD2 ASP A 29 -8.903 19.435 -27.443 1.00 0.00 O1- ATOM 0 H ASP A 29 -9.668 20.850 -22.924 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.641 18.597 -24.471 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.155 20.333 -25.439 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.967 21.565 -25.065 1.00 0.00 H new ATOM 358 N GLY A 30 -6.305 19.025 -23.751 1.00 0.00 N ATOM 359 CA GLY A 30 -4.917 19.219 -23.479 1.00 0.00 C ATOM 360 C GLY A 30 -4.606 18.880 -22.053 1.00 0.00 C ATOM 361 O GLY A 30 -5.427 19.095 -21.156 1.00 0.00 O ATOM 0 H GLY A 30 -6.592 18.047 -23.781 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.320 18.596 -24.145 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.643 20.255 -23.680 1.00 0.00 H new ATOM 365 N HIS A 31 -3.434 18.376 -21.825 1.00 0.00 N ATOM 366 CA HIS A 31 -3.043 17.961 -20.497 1.00 0.00 C ATOM 367 C HIS A 31 -2.362 19.093 -19.743 1.00 0.00 C ATOM 368 O HIS A 31 -2.070 18.959 -18.556 1.00 0.00 O ATOM 369 CB HIS A 31 -2.134 16.691 -20.526 1.00 0.00 C ATOM 370 CG HIS A 31 -0.761 16.863 -21.164 1.00 0.00 C ATOM 371 ND1 HIS A 31 -0.349 16.220 -22.312 1.00 0.00 N ATOM 372 CD2 HIS A 31 0.307 17.608 -20.764 1.00 0.00 C ATOM 373 CE1 HIS A 31 0.902 16.587 -22.569 1.00 0.00 C ATOM 374 NE2 HIS A 31 1.353 17.429 -21.655 1.00 0.00 N ATOM 0 H HIS A 31 -2.721 18.238 -22.541 1.00 0.00 H new ATOM 0 HA HIS A 31 -3.957 17.698 -19.965 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.995 16.345 -19.502 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -2.664 15.902 -21.060 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -0.908 15.574 -22.868 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.334 18.240 -19.889 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.477 16.242 -23.416 1.00 0.00 H new ATOM 382 N LEU A 32 -2.128 20.206 -20.423 1.00 0.00 N ATOM 383 CA LEU A 32 -1.391 21.294 -19.849 1.00 0.00 C ATOM 384 C LEU A 32 -2.353 22.195 -19.074 1.00 0.00 C ATOM 385 O LEU A 32 -3.179 22.875 -19.677 1.00 0.00 O ATOM 386 CB LEU A 32 -0.662 22.076 -20.935 1.00 0.00 C ATOM 387 CG LEU A 32 0.458 22.972 -20.448 1.00 0.00 C ATOM 388 CD1 LEU A 32 1.593 22.128 -19.886 1.00 0.00 C ATOM 389 CD2 LEU A 32 0.958 23.879 -21.556 1.00 0.00 C ATOM 0 H LEU A 32 -2.445 20.368 -21.379 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.639 20.905 -19.163 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.252 21.368 -21.655 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.389 22.688 -21.468 1.00 0.00 H new ATOM 0 HG LEU A 32 0.067 23.609 -19.654 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.394 22.780 -19.538 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.224 21.531 -19.052 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.975 21.468 -20.664 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.761 24.510 -21.175 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.332 23.273 -22.381 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.140 24.507 -21.909 1.00 0.00 H new ATOM 401 N PRO A 33 -2.224 22.194 -17.731 1.00 0.00 N ATOM 402 CA PRO A 33 -3.144 22.853 -16.775 1.00 0.00 C ATOM 403 C PRO A 33 -3.697 24.200 -17.200 1.00 0.00 C ATOM 404 O PRO A 33 -4.911 24.399 -17.229 1.00 0.00 O ATOM 405 CB PRO A 33 -2.283 23.028 -15.538 1.00 0.00 C ATOM 406 CG PRO A 33 -1.354 21.880 -15.572 1.00 0.00 C ATOM 407 CD PRO A 33 -1.115 21.543 -17.015 1.00 0.00 C ATOM 0 HA PRO A 33 -4.041 22.245 -16.655 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.745 23.976 -15.559 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.886 23.024 -14.630 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.416 22.129 -15.075 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.778 21.026 -15.043 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.149 21.916 -17.355 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.116 20.465 -17.177 1.00 0.00 H new ATOM 415 N ALA A 34 -2.828 25.096 -17.531 1.00 0.00 N ATOM 416 CA ALA A 34 -3.237 26.458 -17.834 1.00 0.00 C ATOM 417 C ALA A 34 -3.706 26.671 -19.283 1.00 0.00 C ATOM 418 O ALA A 34 -4.630 27.456 -19.525 1.00 0.00 O ATOM 419 CB ALA A 34 -2.128 27.426 -17.486 1.00 0.00 C ATOM 0 H ALA A 34 -1.825 24.925 -17.603 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.111 26.653 -17.213 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.446 28.442 -17.717 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.899 27.350 -16.423 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.238 27.184 -18.067 1.00 0.00 H new ATOM 425 N THR A 35 -3.118 25.970 -20.221 1.00 0.00 N ATOM 426 CA THR A 35 -3.380 26.226 -21.639 1.00 0.00 C ATOM 427 C THR A 35 -4.501 25.312 -22.210 1.00 0.00 C ATOM 428 O THR A 35 -4.908 25.436 -23.377 1.00 0.00 O ATOM 429 CB THR A 35 -2.059 26.039 -22.421 1.00 0.00 C ATOM 430 OG1 THR A 35 -1.013 26.696 -21.679 1.00 0.00 O ATOM 431 CG2 THR A 35 -2.132 26.669 -23.811 1.00 0.00 C ATOM 0 H THR A 35 -2.454 25.217 -20.041 1.00 0.00 H new ATOM 0 HA THR A 35 -3.741 27.248 -21.749 1.00 0.00 H new ATOM 0 HB THR A 35 -1.869 24.972 -22.541 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.199 26.731 -22.223 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.185 26.517 -24.330 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.936 26.203 -24.380 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.326 27.737 -23.716 1.00 0.00 H new ATOM 439 N ARG A 36 -5.007 24.425 -21.390 1.00 0.00 N ATOM 440 CA ARG A 36 -6.035 23.496 -21.819 1.00 0.00 C ATOM 441 C ARG A 36 -7.422 24.155 -21.891 1.00 0.00 C ATOM 442 O ARG A 36 -7.731 25.084 -21.127 1.00 0.00 O ATOM 443 CB ARG A 36 -6.031 22.264 -20.926 1.00 0.00 C ATOM 444 CG ARG A 36 -6.298 22.538 -19.465 1.00 0.00 C ATOM 445 CD ARG A 36 -6.056 21.295 -18.647 1.00 0.00 C ATOM 446 NE ARG A 36 -6.175 21.546 -17.217 1.00 0.00 N ATOM 447 CZ ARG A 36 -5.837 20.673 -16.263 1.00 0.00 C ATOM 448 NH1 ARG A 36 -5.337 19.472 -16.590 1.00 0.00 N1+ ATOM 449 NH2 ARG A 36 -5.984 21.006 -14.996 1.00 0.00 N ATOM 0 H ARG A 36 -4.725 24.323 -20.415 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.803 23.180 -22.836 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.782 21.565 -21.293 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.064 21.770 -21.017 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.652 23.343 -19.115 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.326 22.874 -19.333 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.770 20.525 -18.940 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.061 20.907 -18.865 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.542 22.451 -16.923 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.213 19.221 -17.571 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.081 18.810 -15.858 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.353 21.924 -14.750 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.728 20.345 -14.262 1.00 0.00 H new ATOM 463 N VAL A 37 -8.229 23.681 -22.823 1.00 0.00 N ATOM 464 CA VAL A 37 -9.571 24.225 -23.078 1.00 0.00 C ATOM 465 C VAL A 37 -10.601 23.417 -22.297 1.00 0.00 C ATOM 466 O VAL A 37 -10.462 22.224 -22.169 1.00 0.00 O ATOM 467 CB VAL A 37 -9.921 24.128 -24.596 1.00 0.00 C ATOM 468 CG1 VAL A 37 -11.227 24.835 -24.932 1.00 0.00 C ATOM 469 CG2 VAL A 37 -8.779 24.638 -25.461 1.00 0.00 C ATOM 0 H VAL A 37 -7.980 22.903 -23.434 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.585 25.270 -22.767 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.065 23.071 -24.820 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.428 24.740 -25.999 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.042 24.382 -24.368 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.147 25.890 -24.670 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.055 24.557 -26.512 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.577 25.681 -25.218 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.886 24.042 -25.273 1.00 0.00 H new ATOM 479 N LEU A 38 -11.612 24.067 -21.788 1.00 0.00 N ATOM 480 CA LEU A 38 -12.679 23.397 -21.037 1.00 0.00 C ATOM 481 C LEU A 38 -13.565 22.609 -22.015 1.00 0.00 C ATOM 482 O LEU A 38 -14.003 23.157 -23.026 1.00 0.00 O ATOM 483 CB LEU A 38 -13.487 24.487 -20.252 1.00 0.00 C ATOM 484 CG LEU A 38 -14.718 24.084 -19.380 1.00 0.00 C ATOM 485 CD1 LEU A 38 -15.953 23.731 -20.206 1.00 0.00 C ATOM 486 CD2 LEU A 38 -14.369 22.953 -18.447 1.00 0.00 C ATOM 0 H LEU A 38 -11.734 25.076 -21.873 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.274 22.686 -20.317 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.783 25.001 -19.597 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.835 25.218 -20.982 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.976 24.966 -18.794 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.772 23.460 -19.539 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.245 24.591 -20.809 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.725 22.890 -20.860 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.243 22.691 -17.850 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.053 22.087 -19.028 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.559 23.263 -17.787 1.00 0.00 H new ATOM 498 N LEU A 39 -13.814 21.329 -21.729 1.00 0.00 N ATOM 499 CA LEU A 39 -14.664 20.524 -22.594 1.00 0.00 C ATOM 500 C LEU A 39 -15.979 20.124 -21.934 1.00 0.00 C ATOM 501 O LEU A 39 -17.045 20.536 -22.394 1.00 0.00 O ATOM 502 CB LEU A 39 -13.945 19.266 -23.104 1.00 0.00 C ATOM 503 CG LEU A 39 -12.731 19.486 -23.999 1.00 0.00 C ATOM 504 CD1 LEU A 39 -12.159 18.149 -24.446 1.00 0.00 C ATOM 505 CD2 LEU A 39 -13.099 20.334 -25.205 1.00 0.00 C ATOM 0 H LEU A 39 -13.443 20.838 -20.916 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.895 21.168 -23.442 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.629 18.681 -22.240 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.667 18.661 -23.652 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.972 20.019 -23.426 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.292 18.319 -25.085 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.858 17.572 -23.572 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.917 17.597 -25.002 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.218 20.479 -25.830 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.874 19.830 -25.782 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.469 21.303 -24.869 1.00 0.00 H new ATOM 517 N MET A 40 -15.922 19.357 -20.849 1.00 0.00 N ATOM 518 CA MET A 40 -17.151 18.815 -20.247 1.00 0.00 C ATOM 519 C MET A 40 -17.034 18.562 -18.792 1.00 0.00 C ATOM 520 O MET A 40 -15.954 18.580 -18.226 1.00 0.00 O ATOM 521 CB MET A 40 -17.601 17.510 -20.916 1.00 0.00 C ATOM 522 CG MET A 40 -18.839 17.668 -21.766 1.00 0.00 C ATOM 523 SD MET A 40 -19.410 16.132 -22.516 1.00 0.00 S ATOM 524 CE MET A 40 -19.981 15.250 -21.064 1.00 0.00 C ATOM 0 H MET A 40 -15.059 19.097 -20.371 1.00 0.00 H new ATOM 0 HA MET A 40 -17.893 19.596 -20.411 1.00 0.00 H new ATOM 0 HB2 MET A 40 -16.789 17.130 -21.536 1.00 0.00 H new ATOM 0 HB3 MET A 40 -17.791 16.762 -20.146 1.00 0.00 H new ATOM 0 HG2 MET A 40 -19.639 18.081 -21.152 1.00 0.00 H new ATOM 0 HG3 MET A 40 -18.636 18.393 -22.555 1.00 0.00 H new ATOM 0 HE1 MET A 40 -20.724 14.509 -21.357 1.00 0.00 H new ATOM 0 HE2 MET A 40 -19.138 14.750 -20.587 1.00 0.00 H new ATOM 0 HE3 MET A 40 -20.428 15.955 -20.363 1.00 0.00 H new ATOM 534 N TYR A 41 -18.169 18.328 -18.212 1.00 0.00 N ATOM 535 CA TYR A 41 -18.318 17.975 -16.820 1.00 0.00 C ATOM 536 C TYR A 41 -19.075 16.659 -16.740 1.00 0.00 C ATOM 537 O TYR A 41 -20.041 16.463 -17.477 1.00 0.00 O ATOM 538 CB TYR A 41 -19.110 19.047 -16.080 1.00 0.00 C ATOM 539 CG TYR A 41 -18.405 20.372 -15.904 1.00 0.00 C ATOM 540 CD1 TYR A 41 -18.415 21.331 -16.908 1.00 0.00 C ATOM 541 CD2 TYR A 41 -17.751 20.671 -14.721 1.00 0.00 C ATOM 542 CE1 TYR A 41 -17.788 22.546 -16.738 1.00 0.00 C ATOM 543 CE2 TYR A 41 -17.119 21.884 -14.543 1.00 0.00 C ATOM 544 CZ TYR A 41 -17.143 22.817 -15.554 1.00 0.00 C ATOM 545 OH TYR A 41 -16.524 24.036 -15.375 1.00 0.00 O ATOM 0 H TYR A 41 -19.058 18.378 -18.709 1.00 0.00 H new ATOM 0 HA TYR A 41 -17.333 17.887 -16.361 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -20.043 19.220 -16.617 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -19.375 18.663 -15.095 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -18.923 21.121 -17.838 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -17.735 19.942 -13.924 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.803 23.281 -17.529 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.609 22.100 -13.616 1.00 0.00 H new ATOM 0 HH TYR A 41 -16.116 24.068 -14.484 1.00 0.00 H new ATOM 555 N VAL A 42 -18.621 15.755 -15.900 1.00 0.00 N ATOM 556 CA VAL A 42 -19.263 14.439 -15.711 1.00 0.00 C ATOM 557 C VAL A 42 -19.190 14.085 -14.241 1.00 0.00 C ATOM 558 O VAL A 42 -18.204 14.377 -13.606 1.00 0.00 O ATOM 559 CB VAL A 42 -18.531 13.310 -16.519 1.00 0.00 C ATOM 560 CG1 VAL A 42 -19.243 11.966 -16.379 1.00 0.00 C ATOM 561 CG2 VAL A 42 -18.382 13.674 -17.987 1.00 0.00 C ATOM 0 H VAL A 42 -17.795 15.896 -15.319 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.291 14.506 -16.066 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.534 13.216 -16.089 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -18.707 11.209 -16.952 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -19.269 11.675 -15.329 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -20.262 12.053 -16.756 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.871 12.867 -18.512 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -19.368 13.825 -18.426 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.800 14.591 -18.077 1.00 0.00 H new ATOM 571 N ARG A 43 -20.229 13.506 -13.695 1.00 0.00 N ATOM 572 CA ARG A 43 -20.204 13.098 -12.327 1.00 0.00 C ATOM 573 C ARG A 43 -19.455 11.780 -12.144 1.00 0.00 C ATOM 574 O ARG A 43 -19.554 10.845 -12.982 1.00 0.00 O ATOM 575 CB ARG A 43 -21.598 12.996 -11.751 1.00 0.00 C ATOM 576 CG ARG A 43 -21.592 12.550 -10.309 1.00 0.00 C ATOM 577 CD ARG A 43 -22.948 12.537 -9.728 1.00 0.00 C ATOM 578 NE ARG A 43 -23.842 11.633 -10.445 1.00 0.00 N ATOM 579 CZ ARG A 43 -24.210 10.420 -10.031 1.00 0.00 C ATOM 580 NH1 ARG A 43 -23.728 9.922 -8.894 1.00 0.00 N1+ ATOM 581 NH2 ARG A 43 -25.053 9.711 -10.768 1.00 0.00 N ATOM 0 H ARG A 43 -21.102 13.309 -14.184 1.00 0.00 H new ATOM 0 HA ARG A 43 -19.666 13.871 -11.779 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -22.092 13.965 -11.827 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -22.183 12.293 -12.344 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -21.159 11.552 -10.240 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -20.955 13.215 -9.727 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -22.891 12.236 -8.682 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -23.360 13.546 -9.748 1.00 0.00 H new ATOM 0 HE ARG A 43 -24.216 11.956 -11.337 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -23.074 10.469 -8.335 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -24.013 8.994 -8.582 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -25.413 10.094 -11.642 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -25.342 8.782 -10.461 1.00 0.00 H new ATOM 595 N ILE A 44 -18.760 11.698 -11.037 1.00 0.00 N ATOM 596 CA ILE A 44 -17.956 10.535 -10.687 1.00 0.00 C ATOM 597 C ILE A 44 -18.857 9.338 -10.488 1.00 0.00 C ATOM 598 O ILE A 44 -19.822 9.388 -9.714 1.00 0.00 O ATOM 599 CB ILE A 44 -17.110 10.786 -9.406 1.00 0.00 C ATOM 600 CG1 ILE A 44 -16.100 11.911 -9.643 1.00 0.00 C ATOM 601 CG2 ILE A 44 -16.405 9.511 -8.917 1.00 0.00 C ATOM 602 CD1 ILE A 44 -15.031 11.600 -10.670 1.00 0.00 C ATOM 0 H ILE A 44 -18.731 12.442 -10.340 1.00 0.00 H new ATOM 0 HA ILE A 44 -17.263 10.343 -11.506 1.00 0.00 H new ATOM 0 HB ILE A 44 -17.797 11.092 -8.617 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -16.639 12.804 -9.960 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -15.616 12.151 -8.696 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -15.827 9.736 -8.021 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.150 8.749 -8.687 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -15.738 9.143 -9.696 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.363 12.455 -10.770 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.460 10.729 -10.349 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.500 11.392 -11.632 1.00 0.00 H new ATOM 614 N GLY A 45 -18.561 8.297 -11.203 1.00 0.00 N ATOM 615 CA GLY A 45 -19.348 7.110 -11.140 1.00 0.00 C ATOM 616 C GLY A 45 -20.146 6.899 -12.402 1.00 0.00 C ATOM 617 O GLY A 45 -20.502 5.765 -12.734 1.00 0.00 O ATOM 0 H GLY A 45 -17.769 8.248 -11.844 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.698 6.251 -10.973 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -20.025 7.167 -10.287 1.00 0.00 H new ATOM 621 N THR A 46 -20.405 7.964 -13.139 1.00 0.00 N ATOM 622 CA THR A 46 -21.222 7.847 -14.315 1.00 0.00 C ATOM 623 C THR A 46 -20.450 7.999 -15.605 1.00 0.00 C ATOM 624 O THR A 46 -19.303 8.478 -15.630 1.00 0.00 O ATOM 625 CB THR A 46 -22.443 8.791 -14.267 1.00 0.00 C ATOM 626 OG1 THR A 46 -22.049 10.131 -13.876 1.00 0.00 O ATOM 627 CG2 THR A 46 -23.479 8.258 -13.294 1.00 0.00 C ATOM 0 H THR A 46 -20.063 8.904 -12.941 1.00 0.00 H new ATOM 0 HA THR A 46 -21.595 6.823 -14.310 1.00 0.00 H new ATOM 0 HB THR A 46 -22.875 8.835 -15.267 1.00 0.00 H new ATOM 0 HG1 THR A 46 -21.078 10.162 -13.747 1.00 0.00 H new ATOM 0 HG21 THR A 46 -24.335 8.932 -13.269 1.00 0.00 H new ATOM 0 HG22 THR A 46 -23.805 7.269 -13.616 1.00 0.00 H new ATOM 0 HG23 THR A 46 -23.042 8.190 -12.298 1.00 0.00 H new ATOM 635 N THR A 47 -21.077 7.574 -16.654 1.00 0.00 N ATOM 636 CA THR A 47 -20.536 7.626 -17.966 1.00 0.00 C ATOM 637 C THR A 47 -21.091 8.822 -18.706 1.00 0.00 C ATOM 638 O THR A 47 -22.144 9.379 -18.329 1.00 0.00 O ATOM 639 CB THR A 47 -20.860 6.326 -18.752 1.00 0.00 C ATOM 640 OG1 THR A 47 -22.282 6.042 -18.700 1.00 0.00 O ATOM 641 CG2 THR A 47 -20.102 5.140 -18.191 1.00 0.00 C ATOM 0 H THR A 47 -22.012 7.168 -16.615 1.00 0.00 H new ATOM 0 HA THR A 47 -19.453 7.719 -17.885 1.00 0.00 H new ATOM 0 HB THR A 47 -20.553 6.486 -19.785 1.00 0.00 H new ATOM 0 HG1 THR A 47 -22.470 5.221 -19.201 1.00 0.00 H new ATOM 0 HG21 THR A 47 -20.351 4.246 -18.763 1.00 0.00 H new ATOM 0 HG22 THR A 47 -19.030 5.328 -18.259 1.00 0.00 H new ATOM 0 HG23 THR A 47 -20.379 4.992 -17.147 1.00 0.00 H new ATOM 649 N ALA A 48 -20.391 9.232 -19.715 1.00 0.00 N ATOM 650 CA ALA A 48 -20.808 10.359 -20.538 1.00 0.00 C ATOM 651 C ALA A 48 -20.162 10.319 -21.899 1.00 0.00 C ATOM 652 O ALA A 48 -19.078 9.753 -22.068 1.00 0.00 O ATOM 653 CB ALA A 48 -20.471 11.665 -19.863 1.00 0.00 C ATOM 0 H ALA A 48 -19.511 8.805 -20.005 1.00 0.00 H new ATOM 0 HA ALA A 48 -21.888 10.284 -20.664 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.791 12.494 -20.494 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -20.984 11.721 -18.903 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.394 11.725 -19.703 1.00 0.00 H new ATOM 659 N THR A 49 -20.822 10.906 -22.855 1.00 0.00 N ATOM 660 CA THR A 49 -20.314 10.998 -24.192 1.00 0.00 C ATOM 661 C THR A 49 -19.608 12.350 -24.388 1.00 0.00 C ATOM 662 O THR A 49 -20.250 13.408 -24.354 1.00 0.00 O ATOM 663 CB THR A 49 -21.471 10.906 -25.206 1.00 0.00 C ATOM 664 OG1 THR A 49 -22.312 9.780 -24.892 1.00 0.00 O ATOM 665 CG2 THR A 49 -20.940 10.767 -26.626 1.00 0.00 C ATOM 0 H THR A 49 -21.737 11.338 -22.727 1.00 0.00 H new ATOM 0 HA THR A 49 -19.613 10.179 -24.352 1.00 0.00 H new ATOM 0 HB THR A 49 -22.053 11.825 -25.142 1.00 0.00 H new ATOM 0 HG1 THR A 49 -21.824 9.159 -24.312 1.00 0.00 H new ATOM 0 HG21 THR A 49 -21.776 10.704 -27.323 1.00 0.00 H new ATOM 0 HG22 THR A 49 -20.327 11.634 -26.872 1.00 0.00 H new ATOM 0 HG23 THR A 49 -20.336 9.863 -26.702 1.00 0.00 H new ATOM 673 N ILE A 50 -18.312 12.312 -24.538 1.00 0.00 N ATOM 674 CA ILE A 50 -17.537 13.492 -24.850 1.00 0.00 C ATOM 675 C ILE A 50 -17.397 13.486 -26.358 1.00 0.00 C ATOM 676 O ILE A 50 -17.365 12.424 -26.973 1.00 0.00 O ATOM 677 CB ILE A 50 -16.095 13.403 -24.270 1.00 0.00 C ATOM 678 CG1 ILE A 50 -16.081 12.909 -22.815 1.00 0.00 C ATOM 679 CG2 ILE A 50 -15.373 14.755 -24.386 1.00 0.00 C ATOM 680 CD1 ILE A 50 -16.733 13.832 -21.811 1.00 0.00 C ATOM 0 H ILE A 50 -17.757 11.461 -24.448 1.00 0.00 H new ATOM 0 HA ILE A 50 -18.024 14.377 -24.439 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.559 12.666 -24.868 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -16.582 11.942 -22.773 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -15.046 12.746 -22.514 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -14.368 14.667 -23.974 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -15.311 15.046 -25.435 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.927 15.512 -23.832 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.669 13.391 -20.816 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -16.221 14.794 -21.815 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -17.780 13.978 -22.077 1.00 0.00 H new ATOM 692 N THR A 51 -17.370 14.609 -26.951 1.00 0.00 N ATOM 693 CA THR A 51 -17.170 14.689 -28.370 1.00 0.00 C ATOM 694 C THR A 51 -16.162 15.785 -28.665 1.00 0.00 C ATOM 695 O THR A 51 -16.420 16.964 -28.399 1.00 0.00 O ATOM 696 CB THR A 51 -18.511 14.935 -29.100 1.00 0.00 C ATOM 697 OG1 THR A 51 -19.439 13.904 -28.699 1.00 0.00 O ATOM 698 CG2 THR A 51 -18.328 14.881 -30.616 1.00 0.00 C ATOM 0 H THR A 51 -17.484 15.509 -26.484 1.00 0.00 H new ATOM 0 HA THR A 51 -16.777 13.742 -28.740 1.00 0.00 H new ATOM 0 HB THR A 51 -18.886 15.924 -28.836 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.298 14.043 -29.150 1.00 0.00 H new ATOM 0 HG21 THR A 51 -19.286 15.057 -31.105 1.00 0.00 H new ATOM 0 HG22 THR A 51 -17.617 15.648 -30.924 1.00 0.00 H new ATOM 0 HG23 THR A 51 -17.950 13.900 -30.902 1.00 0.00 H new ATOM 706 N ALA A 52 -15.008 15.395 -29.143 1.00 0.00 N ATOM 707 CA ALA A 52 -13.943 16.327 -29.436 1.00 0.00 C ATOM 708 C ALA A 52 -13.207 15.881 -30.680 1.00 0.00 C ATOM 709 O ALA A 52 -12.905 14.698 -30.832 1.00 0.00 O ATOM 710 CB ALA A 52 -12.997 16.439 -28.250 1.00 0.00 C ATOM 0 H ALA A 52 -14.777 14.421 -29.341 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.367 17.315 -29.618 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.200 17.144 -28.486 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.547 16.791 -27.378 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.565 15.462 -28.036 1.00 0.00 H new ATOM 716 N ARG A 53 -12.971 16.830 -31.584 1.00 0.00 N ATOM 717 CA ARG A 53 -12.318 16.618 -32.899 1.00 0.00 C ATOM 718 C ARG A 53 -13.161 15.694 -33.753 1.00 0.00 C ATOM 719 O ARG A 53 -12.672 15.038 -34.675 1.00 0.00 O ATOM 720 CB ARG A 53 -10.907 16.038 -32.765 1.00 0.00 C ATOM 721 CG ARG A 53 -9.974 16.854 -31.916 1.00 0.00 C ATOM 722 CD ARG A 53 -8.555 16.350 -32.038 1.00 0.00 C ATOM 723 NE ARG A 53 -8.435 14.923 -31.717 1.00 0.00 N ATOM 724 CZ ARG A 53 -7.431 14.132 -32.121 1.00 0.00 C ATOM 725 NH1 ARG A 53 -6.491 14.600 -32.937 1.00 0.00 N1+ ATOM 726 NH2 ARG A 53 -7.386 12.871 -31.727 1.00 0.00 N ATOM 0 H ARG A 53 -13.233 17.803 -31.428 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.231 17.596 -33.373 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.979 15.036 -32.343 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.475 15.934 -33.760 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -10.020 17.900 -32.220 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.292 16.810 -30.874 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.198 16.522 -33.053 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.911 16.924 -31.372 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.168 14.503 -31.146 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.531 15.567 -33.260 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.730 13.992 -33.240 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.115 12.501 -31.116 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.623 12.268 -32.034 1.00 0.00 H new ATOM 740 N GLY A 54 -14.435 15.696 -33.470 1.00 0.00 N ATOM 741 CA GLY A 54 -15.360 14.842 -34.164 1.00 0.00 C ATOM 742 C GLY A 54 -15.340 13.406 -33.655 1.00 0.00 C ATOM 743 O GLY A 54 -16.001 12.544 -34.216 1.00 0.00 O ATOM 0 H GLY A 54 -14.860 16.287 -32.755 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.367 15.245 -34.059 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.124 14.848 -35.228 1.00 0.00 H new ATOM 747 N HIS A 55 -14.581 13.141 -32.609 1.00 0.00 N ATOM 748 CA HIS A 55 -14.520 11.807 -32.043 1.00 0.00 C ATOM 749 C HIS A 55 -15.429 11.744 -30.845 1.00 0.00 C ATOM 750 O HIS A 55 -15.404 12.643 -29.987 1.00 0.00 O ATOM 751 CB HIS A 55 -13.095 11.422 -31.606 1.00 0.00 C ATOM 752 CG HIS A 55 -12.067 11.338 -32.697 1.00 0.00 C ATOM 753 ND1 HIS A 55 -11.569 10.152 -33.193 1.00 0.00 N ATOM 754 CD2 HIS A 55 -11.394 12.320 -33.342 1.00 0.00 C ATOM 755 CE1 HIS A 55 -10.628 10.445 -34.097 1.00 0.00 C ATOM 756 NE2 HIS A 55 -10.482 11.752 -34.223 1.00 0.00 N ATOM 0 H HIS A 55 -13.999 13.831 -32.134 1.00 0.00 H new ATOM 0 HA HIS A 55 -14.833 11.104 -32.815 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.754 12.150 -30.869 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -13.140 10.456 -31.103 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -11.543 13.379 -33.195 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.062 9.710 -34.651 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.834 12.242 -34.839 1.00 0.00 H new ATOM 764 N GLU A 56 -16.231 10.724 -30.787 1.00 0.00 N ATOM 765 CA GLU A 56 -17.132 10.528 -29.691 1.00 0.00 C ATOM 766 C GLU A 56 -16.529 9.535 -28.720 1.00 0.00 C ATOM 767 O GLU A 56 -16.332 8.356 -29.048 1.00 0.00 O ATOM 768 CB GLU A 56 -18.477 10.046 -30.202 1.00 0.00 C ATOM 769 CG GLU A 56 -19.145 11.035 -31.138 1.00 0.00 C ATOM 770 CD GLU A 56 -20.419 10.509 -31.718 1.00 0.00 C ATOM 771 OE1 GLU A 56 -21.477 10.653 -31.089 1.00 0.00 O1- ATOM 772 OE2 GLU A 56 -20.395 9.934 -32.830 1.00 0.00 O ATOM 0 H GLU A 56 -16.279 9.999 -31.503 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.291 11.473 -29.171 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -18.343 9.097 -30.721 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.135 9.856 -29.354 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -19.351 11.959 -30.597 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.458 11.285 -31.947 1.00 0.00 H new ATOM 779 N PHE A 57 -16.216 10.006 -27.558 1.00 0.00 N ATOM 780 CA PHE A 57 -15.605 9.210 -26.553 1.00 0.00 C ATOM 781 C PHE A 57 -16.629 8.903 -25.507 1.00 0.00 C ATOM 782 O PHE A 57 -17.127 9.820 -24.838 1.00 0.00 O ATOM 783 CB PHE A 57 -14.456 9.973 -25.891 1.00 0.00 C ATOM 784 CG PHE A 57 -13.421 10.501 -26.837 1.00 0.00 C ATOM 785 CD1 PHE A 57 -12.448 9.669 -27.356 1.00 0.00 C ATOM 786 CD2 PHE A 57 -13.421 11.838 -27.196 1.00 0.00 C ATOM 787 CE1 PHE A 57 -11.492 10.162 -28.220 1.00 0.00 C ATOM 788 CE2 PHE A 57 -12.471 12.335 -28.056 1.00 0.00 C ATOM 789 CZ PHE A 57 -11.507 11.498 -28.568 1.00 0.00 C ATOM 0 H PHE A 57 -16.382 10.973 -27.278 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.216 8.298 -27.006 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.871 10.808 -25.327 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.968 9.314 -25.173 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.436 8.624 -27.083 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -14.176 12.498 -26.796 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.735 9.505 -28.623 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -12.481 13.380 -28.329 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.760 11.887 -29.244 1.00 0.00 H new ATOM 799 N GLU A 58 -16.987 7.664 -25.384 1.00 0.00 N ATOM 800 CA GLU A 58 -17.882 7.285 -24.346 1.00 0.00 C ATOM 801 C GLU A 58 -16.994 6.994 -23.157 1.00 0.00 C ATOM 802 O GLU A 58 -16.259 6.000 -23.139 1.00 0.00 O ATOM 803 CB GLU A 58 -18.649 6.046 -24.760 1.00 0.00 C ATOM 804 CG GLU A 58 -19.927 5.810 -23.984 1.00 0.00 C ATOM 805 CD GLU A 58 -20.965 6.856 -24.293 1.00 0.00 C ATOM 806 OE1 GLU A 58 -21.391 6.937 -25.452 1.00 0.00 O1- ATOM 807 OE2 GLU A 58 -21.373 7.610 -23.394 1.00 0.00 O ATOM 0 H GLU A 58 -16.674 6.904 -25.988 1.00 0.00 H new ATOM 0 HA GLU A 58 -18.619 8.056 -24.121 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -18.891 6.121 -25.820 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -18.002 5.177 -24.642 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -20.322 4.823 -24.224 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.711 5.816 -22.916 1.00 0.00 H new ATOM 814 N VAL A 59 -17.024 7.859 -22.208 1.00 0.00 N ATOM 815 CA VAL A 59 -16.109 7.780 -21.102 1.00 0.00 C ATOM 816 C VAL A 59 -16.839 7.383 -19.860 1.00 0.00 C ATOM 817 O VAL A 59 -18.063 7.559 -19.757 1.00 0.00 O ATOM 818 CB VAL A 59 -15.381 9.147 -20.827 1.00 0.00 C ATOM 819 CG1 VAL A 59 -14.676 9.667 -22.061 1.00 0.00 C ATOM 820 CG2 VAL A 59 -16.337 10.209 -20.279 1.00 0.00 C ATOM 0 H VAL A 59 -17.676 8.642 -22.166 1.00 0.00 H new ATOM 0 HA VAL A 59 -15.360 7.035 -21.370 1.00 0.00 H new ATOM 0 HB VAL A 59 -14.630 8.943 -20.063 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -14.186 10.613 -21.829 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.930 8.942 -22.387 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -15.404 9.822 -22.858 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -15.790 11.136 -20.104 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -17.134 10.389 -21.001 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -16.769 9.860 -19.341 1.00 0.00 H new ATOM 830 N GLU A 60 -16.112 6.859 -18.945 1.00 0.00 N ATOM 831 CA GLU A 60 -16.619 6.556 -17.655 1.00 0.00 C ATOM 832 C GLU A 60 -15.800 7.317 -16.640 1.00 0.00 C ATOM 833 O GLU A 60 -14.567 7.197 -16.615 1.00 0.00 O ATOM 834 CB GLU A 60 -16.559 5.043 -17.374 1.00 0.00 C ATOM 835 CG GLU A 60 -17.163 4.645 -16.026 1.00 0.00 C ATOM 836 CD GLU A 60 -17.219 3.151 -15.823 1.00 0.00 C ATOM 837 OE1 GLU A 60 -18.154 2.514 -16.317 1.00 0.00 O1- ATOM 838 OE2 GLU A 60 -16.338 2.582 -15.159 1.00 0.00 O ATOM 0 H GLU A 60 -15.128 6.623 -19.072 1.00 0.00 H new ATOM 0 HA GLU A 60 -17.666 6.852 -17.594 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.085 4.513 -18.169 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.519 4.717 -17.407 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.576 5.093 -15.225 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.170 5.054 -15.950 1.00 0.00 H new ATOM 845 N ALA A 61 -16.451 8.149 -15.856 1.00 0.00 N ATOM 846 CA ALA A 61 -15.764 8.813 -14.772 1.00 0.00 C ATOM 847 C ALA A 61 -15.604 7.787 -13.666 1.00 0.00 C ATOM 848 O ALA A 61 -16.487 7.608 -12.834 1.00 0.00 O ATOM 849 CB ALA A 61 -16.523 10.045 -14.294 1.00 0.00 C ATOM 0 H ALA A 61 -17.441 8.379 -15.947 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.791 9.180 -15.100 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -15.975 10.517 -13.479 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.626 10.751 -15.118 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -17.512 9.750 -13.943 1.00 0.00 H new ATOM 855 N LYS A 62 -14.495 7.077 -13.734 1.00 0.00 N ATOM 856 CA LYS A 62 -14.231 5.893 -12.930 1.00 0.00 C ATOM 857 C LYS A 62 -14.249 6.174 -11.448 1.00 0.00 C ATOM 858 O LYS A 62 -15.045 5.600 -10.704 1.00 0.00 O ATOM 859 CB LYS A 62 -12.847 5.333 -13.290 1.00 0.00 C ATOM 860 CG LYS A 62 -12.606 5.064 -14.774 1.00 0.00 C ATOM 861 CD LYS A 62 -13.461 3.928 -15.327 1.00 0.00 C ATOM 862 CE LYS A 62 -13.116 2.592 -14.689 1.00 0.00 C ATOM 863 NZ LYS A 62 -13.920 1.492 -15.251 1.00 0.00 N1+ ATOM 0 H LYS A 62 -13.730 7.312 -14.366 1.00 0.00 H new ATOM 0 HA LYS A 62 -15.026 5.180 -13.150 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.090 6.034 -12.939 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.698 4.402 -12.742 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.812 5.973 -15.339 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.554 4.825 -14.927 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.514 4.150 -15.155 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.321 3.861 -16.406 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.057 2.381 -14.838 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.281 2.650 -13.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.903 0.682 -14.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.901 1.811 -15.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.524 1.206 -16.169 1.00 0.00 H new ATOM 877 N ASP A 63 -13.405 7.080 -11.039 1.00 0.00 N ATOM 878 CA ASP A 63 -13.191 7.342 -9.632 1.00 0.00 C ATOM 879 C ASP A 63 -12.742 8.782 -9.456 1.00 0.00 C ATOM 880 O ASP A 63 -12.386 9.431 -10.447 1.00 0.00 O ATOM 881 CB ASP A 63 -12.127 6.354 -9.104 1.00 0.00 C ATOM 882 CG ASP A 63 -11.834 6.488 -7.631 1.00 0.00 C ATOM 883 OD1 ASP A 63 -12.576 5.921 -6.808 1.00 0.00 O ATOM 884 OD2 ASP A 63 -10.851 7.159 -7.277 1.00 0.00 O1- ATOM 0 H ASP A 63 -12.845 7.659 -11.665 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.112 7.201 -9.066 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -12.461 5.336 -9.305 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.202 6.502 -9.662 1.00 0.00 H new ATOM 889 N GLN A 64 -12.726 9.260 -8.209 1.00 0.00 N ATOM 890 CA GLN A 64 -12.399 10.648 -7.850 1.00 0.00 C ATOM 891 C GLN A 64 -10.991 11.057 -8.304 1.00 0.00 C ATOM 892 O GLN A 64 -10.698 12.237 -8.401 1.00 0.00 O ATOM 893 CB GLN A 64 -12.503 10.845 -6.341 1.00 0.00 C ATOM 894 CG GLN A 64 -13.845 10.492 -5.724 1.00 0.00 C ATOM 895 CD GLN A 64 -13.836 10.659 -4.213 1.00 0.00 C ATOM 896 OE1 GLN A 64 -12.794 10.509 -3.567 1.00 0.00 O ATOM 897 NE2 GLN A 64 -14.978 10.960 -3.641 1.00 0.00 N ATOM 0 H GLN A 64 -12.945 8.680 -7.399 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.121 11.280 -8.368 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -11.732 10.242 -5.860 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -12.281 11.887 -6.113 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.620 11.126 -6.155 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -14.100 9.462 -5.974 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.818 11.076 -4.208 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.026 11.078 -2.629 1.00 0.00 H new ATOM 906 N ASN A 65 -10.121 10.077 -8.563 1.00 0.00 N ATOM 907 CA ASN A 65 -8.761 10.366 -9.060 1.00 0.00 C ATOM 908 C ASN A 65 -8.797 10.898 -10.482 1.00 0.00 C ATOM 909 O ASN A 65 -7.834 11.498 -10.956 1.00 0.00 O ATOM 910 CB ASN A 65 -7.838 9.135 -8.994 1.00 0.00 C ATOM 911 CG ASN A 65 -7.314 8.836 -7.601 1.00 0.00 C ATOM 912 OD1 ASN A 65 -7.927 8.094 -6.829 1.00 0.00 O ATOM 913 ND2 ASN A 65 -6.162 9.371 -7.279 1.00 0.00 N ATOM 0 H ASN A 65 -10.325 9.085 -8.441 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.351 11.130 -8.400 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.382 8.265 -9.362 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.993 9.290 -9.665 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.747 9.178 -6.367 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.680 9.980 -7.940 1.00 0.00 H new ATOM 920 N CYS A 66 -9.919 10.673 -11.150 1.00 0.00 N ATOM 921 CA CYS A 66 -10.138 11.097 -12.517 1.00 0.00 C ATOM 922 C CYS A 66 -9.151 10.550 -13.512 1.00 0.00 C ATOM 923 O CYS A 66 -8.259 11.243 -14.014 1.00 0.00 O ATOM 924 CB CYS A 66 -10.335 12.596 -12.664 1.00 0.00 C ATOM 925 SG CYS A 66 -11.978 13.157 -12.160 1.00 0.00 S ATOM 0 H CYS A 66 -10.715 10.181 -10.745 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.089 10.633 -12.778 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -9.584 13.114 -12.068 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -10.166 12.877 -13.704 1.00 0.00 H new ATOM 930 N LYS A 67 -9.254 9.286 -13.730 1.00 0.00 N ATOM 931 CA LYS A 67 -8.536 8.665 -14.750 1.00 0.00 C ATOM 932 C LYS A 67 -9.543 8.347 -15.813 1.00 0.00 C ATOM 933 O LYS A 67 -10.528 7.659 -15.549 1.00 0.00 O ATOM 934 CB LYS A 67 -7.813 7.424 -14.236 1.00 0.00 C ATOM 935 CG LYS A 67 -6.330 7.288 -14.584 1.00 0.00 C ATOM 936 CD LYS A 67 -5.560 8.508 -14.137 1.00 0.00 C ATOM 937 CE LYS A 67 -5.351 9.438 -15.302 1.00 0.00 C ATOM 938 NZ LYS A 67 -4.954 10.794 -14.894 1.00 0.00 N1+ ATOM 0 H LYS A 67 -9.851 8.659 -13.190 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.748 9.305 -15.147 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.909 7.402 -13.150 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.333 6.546 -14.620 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.920 6.398 -14.106 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.215 7.154 -15.660 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.104 9.021 -13.344 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.597 8.209 -13.722 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.585 9.023 -15.957 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.271 9.495 -15.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.825 11.387 -15.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.695 11.206 -14.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.061 10.749 -14.363 1.00 0.00 H new ATOM 952 N VAL A 68 -9.350 8.895 -16.966 1.00 0.00 N ATOM 953 CA VAL A 68 -10.312 8.758 -18.015 1.00 0.00 C ATOM 954 C VAL A 68 -10.181 7.445 -18.797 1.00 0.00 C ATOM 955 O VAL A 68 -9.325 7.278 -19.683 1.00 0.00 O ATOM 956 CB VAL A 68 -10.367 10.008 -18.934 1.00 0.00 C ATOM 957 CG1 VAL A 68 -8.999 10.363 -19.509 1.00 0.00 C ATOM 958 CG2 VAL A 68 -11.413 9.835 -20.026 1.00 0.00 C ATOM 0 H VAL A 68 -8.528 9.447 -17.210 1.00 0.00 H new ATOM 0 HA VAL A 68 -11.282 8.698 -17.521 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.668 10.853 -18.315 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.089 11.244 -20.145 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.305 10.573 -18.695 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.624 9.527 -20.099 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.432 10.724 -20.656 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.164 8.965 -20.634 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.393 9.692 -19.571 1.00 0.00 H new ATOM 968 N ILE A 69 -10.996 6.507 -18.410 1.00 0.00 N ATOM 969 CA ILE A 69 -11.100 5.252 -19.083 1.00 0.00 C ATOM 970 C ILE A 69 -12.454 5.212 -19.764 1.00 0.00 C ATOM 971 O ILE A 69 -13.461 5.641 -19.189 1.00 0.00 O ATOM 972 CB ILE A 69 -10.911 4.007 -18.129 1.00 0.00 C ATOM 973 CG1 ILE A 69 -9.455 3.853 -17.656 1.00 0.00 C ATOM 974 CG2 ILE A 69 -11.354 2.717 -18.793 1.00 0.00 C ATOM 975 CD1 ILE A 69 -8.982 4.846 -16.623 1.00 0.00 C ATOM 0 H ILE A 69 -11.615 6.597 -17.605 1.00 0.00 H new ATOM 0 HA ILE A 69 -10.289 5.177 -19.808 1.00 0.00 H new ATOM 0 HB ILE A 69 -11.543 4.199 -17.262 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.331 2.850 -17.249 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.802 3.926 -18.526 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -11.208 1.885 -18.105 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.409 2.788 -19.058 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -10.764 2.550 -19.694 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.943 4.638 -16.368 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -9.062 5.856 -17.026 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -9.599 4.762 -15.728 1.00 0.00 H new ATOM 987 N LEU A 70 -12.480 4.762 -20.983 1.00 0.00 N ATOM 988 CA LEU A 70 -13.691 4.707 -21.732 1.00 0.00 C ATOM 989 C LEU A 70 -14.461 3.470 -21.377 1.00 0.00 C ATOM 990 O LEU A 70 -14.001 2.607 -20.622 1.00 0.00 O ATOM 991 CB LEU A 70 -13.417 4.669 -23.227 1.00 0.00 C ATOM 992 CG LEU A 70 -12.439 5.680 -23.783 1.00 0.00 C ATOM 993 CD1 LEU A 70 -12.229 5.470 -25.271 1.00 0.00 C ATOM 994 CD2 LEU A 70 -12.882 7.090 -23.505 1.00 0.00 C ATOM 0 H LEU A 70 -11.658 4.423 -21.483 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.262 5.603 -21.488 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.050 3.673 -23.477 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.366 4.798 -23.747 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.487 5.525 -23.275 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.522 6.209 -25.647 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.834 4.469 -25.445 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.180 5.580 -25.792 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.155 7.788 -23.919 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.855 7.263 -23.966 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.958 7.242 -22.428 1.00 0.00 H new ATOM 1006 N THR A 71 -15.567 3.344 -21.999 1.00 0.00 N ATOM 1007 CA THR A 71 -16.471 2.230 -21.797 1.00 0.00 C ATOM 1008 C THR A 71 -15.933 0.968 -22.464 1.00 0.00 C ATOM 1009 O THR A 71 -16.327 -0.145 -22.151 1.00 0.00 O ATOM 1010 CB THR A 71 -17.832 2.583 -22.368 1.00 0.00 C ATOM 1011 OG1 THR A 71 -17.630 3.178 -23.659 1.00 0.00 O ATOM 1012 CG2 THR A 71 -18.568 3.555 -21.456 1.00 0.00 C ATOM 0 H THR A 71 -15.899 4.020 -22.687 1.00 0.00 H new ATOM 0 HA THR A 71 -16.560 2.035 -20.728 1.00 0.00 H new ATOM 0 HB THR A 71 -18.440 1.682 -22.452 1.00 0.00 H new ATOM 0 HG1 THR A 71 -18.459 3.122 -24.178 1.00 0.00 H new ATOM 0 HG21 THR A 71 -19.541 3.793 -21.887 1.00 0.00 H new ATOM 0 HG22 THR A 71 -18.707 3.100 -20.475 1.00 0.00 H new ATOM 0 HG23 THR A 71 -17.984 4.469 -21.352 1.00 0.00 H new ATOM 1020 N ASN A 72 -15.007 1.166 -23.375 1.00 0.00 N ATOM 1021 CA ASN A 72 -14.358 0.073 -24.080 1.00 0.00 C ATOM 1022 C ASN A 72 -13.217 -0.492 -23.241 1.00 0.00 C ATOM 1023 O ASN A 72 -12.539 -1.433 -23.644 1.00 0.00 O ATOM 1024 CB ASN A 72 -13.816 0.541 -25.448 1.00 0.00 C ATOM 1025 CG ASN A 72 -14.900 0.910 -26.448 1.00 0.00 C ATOM 1026 OD1 ASN A 72 -15.370 0.063 -27.200 1.00 0.00 O ATOM 1027 ND2 ASN A 72 -15.269 2.173 -26.504 1.00 0.00 N ATOM 0 H ASN A 72 -14.679 2.091 -23.652 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.101 -0.706 -24.250 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.168 1.404 -25.295 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.198 -0.250 -25.873 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.965 2.471 -27.187 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.859 2.853 -25.864 1.00 0.00 H new ATOM 1034 N GLY A 73 -12.973 0.129 -22.089 1.00 0.00 N ATOM 1035 CA GLY A 73 -11.912 -0.311 -21.216 1.00 0.00 C ATOM 1036 C GLY A 73 -10.614 0.248 -21.689 1.00 0.00 C ATOM 1037 O GLY A 73 -9.541 -0.181 -21.287 1.00 0.00 O ATOM 0 H GLY A 73 -13.499 0.934 -21.748 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.109 0.014 -20.194 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.867 -1.400 -21.201 1.00 0.00 H new ATOM 1041 N LYS A 74 -10.730 1.216 -22.555 1.00 0.00 N ATOM 1042 CA LYS A 74 -9.607 1.833 -23.156 1.00 0.00 C ATOM 1043 C LYS A 74 -9.335 3.111 -22.447 1.00 0.00 C ATOM 1044 O LYS A 74 -10.265 3.795 -22.050 1.00 0.00 O ATOM 1045 CB LYS A 74 -9.896 2.140 -24.624 1.00 0.00 C ATOM 1046 CG LYS A 74 -10.252 0.941 -25.484 1.00 0.00 C ATOM 1047 CD LYS A 74 -9.096 -0.029 -25.627 1.00 0.00 C ATOM 1048 CE LYS A 74 -9.468 -1.183 -26.538 1.00 0.00 C ATOM 1049 NZ LYS A 74 -9.835 -0.739 -27.913 1.00 0.00 N1+ ATOM 0 H LYS A 74 -11.626 1.596 -22.860 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.749 1.163 -23.092 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.716 2.857 -24.673 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.021 2.627 -25.054 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.105 0.423 -25.046 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.560 1.284 -26.472 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.227 0.491 -26.029 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.813 -0.411 -24.646 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.630 -1.878 -26.597 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.305 -1.729 -26.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.815 -1.555 -28.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.791 -0.329 -27.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.155 -0.023 -28.240 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.108 3.432 -22.283 1.00 0.00 N ATOM 1064 CA GLN A 75 -7.758 4.682 -21.705 1.00 0.00 C ATOM 1065 C GLN A 75 -7.844 5.707 -22.800 1.00 0.00 C ATOM 1066 O GLN A 75 -7.435 5.443 -23.938 1.00 0.00 O ATOM 1067 CB GLN A 75 -6.358 4.667 -21.065 1.00 0.00 C ATOM 1068 CG GLN A 75 -6.222 3.882 -19.748 1.00 0.00 C ATOM 1069 CD GLN A 75 -6.531 2.392 -19.853 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -7.664 1.950 -19.651 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -5.539 1.616 -20.160 1.00 0.00 N ATOM 0 H GLN A 75 -7.317 2.842 -22.543 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.443 4.916 -20.891 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -5.656 4.250 -21.787 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.053 5.698 -20.883 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -5.205 4.002 -19.374 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -6.888 4.325 -19.008 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.613 2.012 -20.321 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -5.685 0.610 -20.240 1.00 0.00 H new ATOM 1080 N ALA A 76 -8.414 6.822 -22.489 1.00 0.00 N ATOM 1081 CA ALA A 76 -8.624 7.870 -23.432 1.00 0.00 C ATOM 1082 C ALA A 76 -7.295 8.498 -23.871 1.00 0.00 C ATOM 1083 O ALA A 76 -6.257 8.291 -23.214 1.00 0.00 O ATOM 1084 CB ALA A 76 -9.542 8.899 -22.817 1.00 0.00 C ATOM 0 H ALA A 76 -8.755 7.036 -21.552 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.089 7.462 -24.329 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.711 9.707 -23.529 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.494 8.432 -22.565 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.084 9.301 -21.913 1.00 0.00 H new ATOM 1090 N PRO A 77 -7.301 9.234 -25.006 1.00 0.00 N ATOM 1091 CA PRO A 77 -6.116 9.913 -25.530 1.00 0.00 C ATOM 1092 C PRO A 77 -5.473 10.829 -24.499 1.00 0.00 C ATOM 1093 O PRO A 77 -6.158 11.407 -23.648 1.00 0.00 O ATOM 1094 CB PRO A 77 -6.664 10.753 -26.684 1.00 0.00 C ATOM 1095 CG PRO A 77 -7.914 10.082 -27.098 1.00 0.00 C ATOM 1096 CD PRO A 77 -8.473 9.449 -25.864 1.00 0.00 C ATOM 0 HA PRO A 77 -5.343 9.201 -25.821 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.855 11.779 -26.368 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.952 10.801 -27.508 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.618 10.798 -27.522 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.719 9.333 -27.866 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.206 10.096 -25.382 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.977 8.510 -26.092 1.00 0.00 H new ATOM 1104 N ASP A 78 -4.173 10.981 -24.622 1.00 0.00 N ATOM 1105 CA ASP A 78 -3.331 11.776 -23.720 1.00 0.00 C ATOM 1106 C ASP A 78 -3.863 13.188 -23.510 1.00 0.00 C ATOM 1107 O ASP A 78 -3.809 13.729 -22.397 1.00 0.00 O ATOM 1108 CB ASP A 78 -1.918 11.854 -24.299 1.00 0.00 C ATOM 1109 CG ASP A 78 -1.002 12.735 -23.497 1.00 0.00 C ATOM 1110 OD1 ASP A 78 -0.386 12.243 -22.530 1.00 0.00 O1- ATOM 1111 OD2 ASP A 78 -0.865 13.929 -23.826 1.00 0.00 O ATOM 0 H ASP A 78 -3.643 10.544 -25.376 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.332 11.281 -22.749 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.496 10.850 -24.349 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.970 12.229 -25.321 1.00 0.00 H new ATOM 1116 N TRP A 79 -4.403 13.752 -24.568 1.00 0.00 N ATOM 1117 CA TRP A 79 -4.887 15.114 -24.565 1.00 0.00 C ATOM 1118 C TRP A 79 -6.254 15.255 -23.887 1.00 0.00 C ATOM 1119 O TRP A 79 -6.680 16.354 -23.600 1.00 0.00 O ATOM 1120 CB TRP A 79 -4.912 15.678 -25.995 1.00 0.00 C ATOM 1121 CG TRP A 79 -5.748 14.902 -26.949 1.00 0.00 C ATOM 1122 CD1 TRP A 79 -5.321 13.903 -27.734 1.00 0.00 C ATOM 1123 CD2 TRP A 79 -7.144 15.071 -27.225 1.00 0.00 C ATOM 1124 NE1 TRP A 79 -6.350 13.415 -28.488 1.00 0.00 N ATOM 1125 CE2 TRP A 79 -7.485 14.117 -28.193 1.00 0.00 C ATOM 1126 CE3 TRP A 79 -8.136 15.933 -26.747 1.00 0.00 C ATOM 1127 CZ2 TRP A 79 -8.772 13.992 -28.689 1.00 0.00 C ATOM 1128 CZ3 TRP A 79 -9.413 15.809 -27.242 1.00 0.00 C ATOM 1129 CH2 TRP A 79 -9.721 14.844 -28.208 1.00 0.00 C ATOM 0 H TRP A 79 -4.519 13.274 -25.462 1.00 0.00 H new ATOM 0 HA TRP A 79 -4.189 15.702 -23.969 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -5.279 16.704 -25.961 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -3.891 15.717 -26.375 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -4.306 13.536 -27.766 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -6.282 12.652 -29.161 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.904 16.681 -26.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -9.015 13.246 -29.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -10.190 16.466 -26.880 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.732 14.773 -28.580 1.00 0.00 H new ATOM 1140 N LEU A 80 -6.936 14.165 -23.634 1.00 0.00 N ATOM 1141 CA LEU A 80 -8.206 14.250 -22.973 1.00 0.00 C ATOM 1142 C LEU A 80 -7.937 14.206 -21.489 1.00 0.00 C ATOM 1143 O LEU A 80 -7.666 13.146 -20.923 1.00 0.00 O ATOM 1144 CB LEU A 80 -9.153 13.119 -23.405 1.00 0.00 C ATOM 1145 CG LEU A 80 -10.584 13.214 -22.853 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -11.253 14.517 -23.278 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -11.422 12.026 -23.293 1.00 0.00 C ATOM 0 H LEU A 80 -6.634 13.221 -23.874 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.710 15.178 -23.245 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.201 13.104 -24.494 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.723 12.168 -23.092 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.515 13.202 -21.765 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -12.264 14.556 -22.873 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.678 15.362 -22.899 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -11.296 14.566 -24.366 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.429 12.121 -22.887 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.470 11.998 -24.382 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.968 11.105 -22.926 1.00 0.00 H new ATOM 1159 N ALA A 81 -7.959 15.348 -20.878 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.566 15.459 -19.498 1.00 0.00 C ATOM 1161 C ALA A 81 -8.758 15.497 -18.590 1.00 0.00 C ATOM 1162 O ALA A 81 -9.651 16.317 -18.767 1.00 0.00 O ATOM 1163 CB ALA A 81 -6.703 16.691 -19.291 1.00 0.00 C ATOM 0 H ALA A 81 -8.246 16.226 -21.311 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.983 14.573 -19.245 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.414 16.761 -18.242 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.809 16.617 -19.910 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.266 17.581 -19.572 1.00 0.00 H new ATOM 1169 N ALA A 82 -8.771 14.605 -17.634 1.00 0.00 N ATOM 1170 CA ALA A 82 -9.816 14.541 -16.653 1.00 0.00 C ATOM 1171 C ALA A 82 -9.296 15.104 -15.343 1.00 0.00 C ATOM 1172 O ALA A 82 -8.208 14.725 -14.887 1.00 0.00 O ATOM 1173 CB ALA A 82 -10.279 13.107 -16.474 1.00 0.00 C ATOM 0 H ALA A 82 -8.047 13.896 -17.516 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.670 15.131 -16.985 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.072 13.071 -15.727 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.656 12.725 -17.423 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.441 12.493 -16.143 1.00 0.00 H new ATOM 1179 N GLU A 83 -10.039 16.005 -14.774 1.00 0.00 N ATOM 1180 CA GLU A 83 -9.695 16.680 -13.542 1.00 0.00 C ATOM 1181 C GLU A 83 -10.777 16.489 -12.506 1.00 0.00 C ATOM 1182 O GLU A 83 -11.950 16.697 -12.797 1.00 0.00 O ATOM 1183 CB GLU A 83 -9.505 18.166 -13.802 1.00 0.00 C ATOM 1184 CG GLU A 83 -8.212 18.500 -14.492 1.00 0.00 C ATOM 1185 CD GLU A 83 -7.029 18.359 -13.570 1.00 0.00 C ATOM 1186 OE1 GLU A 83 -6.451 17.269 -13.466 1.00 0.00 O1- ATOM 1187 OE2 GLU A 83 -6.635 19.364 -12.950 1.00 0.00 O ATOM 0 H GLU A 83 -10.933 16.306 -15.162 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.767 16.250 -13.165 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.334 18.528 -14.409 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.548 18.700 -12.853 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.081 17.845 -15.353 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.256 19.521 -14.872 1.00 0.00 H new ATOM 1194 N PRO A 84 -10.405 16.084 -11.298 1.00 0.00 N ATOM 1195 CA PRO A 84 -11.348 15.878 -10.211 1.00 0.00 C ATOM 1196 C PRO A 84 -11.975 17.193 -9.758 1.00 0.00 C ATOM 1197 O PRO A 84 -11.268 18.177 -9.511 1.00 0.00 O ATOM 1198 CB PRO A 84 -10.458 15.299 -9.104 1.00 0.00 C ATOM 1199 CG PRO A 84 -9.107 15.790 -9.412 1.00 0.00 C ATOM 1200 CD PRO A 84 -9.026 15.772 -10.878 1.00 0.00 C ATOM 0 HA PRO A 84 -12.185 15.237 -10.488 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.785 15.632 -8.119 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.491 14.210 -9.099 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.953 16.795 -9.020 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.343 15.153 -8.966 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.315 16.510 -11.251 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.702 14.800 -11.251 1.00 0.00 H new ATOM 1208 N TYR A 85 -13.276 17.231 -9.677 1.00 0.00 N ATOM 1209 CA TYR A 85 -13.935 18.412 -9.235 1.00 0.00 C ATOM 1210 C TYR A 85 -14.739 18.124 -7.984 1.00 0.00 C ATOM 1211 O TYR A 85 -14.228 18.418 -6.889 1.00 0.00 O ATOM 1212 CB TYR A 85 -14.787 19.047 -10.335 1.00 0.00 C ATOM 1213 CG TYR A 85 -15.383 20.376 -9.927 1.00 0.00 C ATOM 1214 CD1 TYR A 85 -14.579 21.500 -9.782 1.00 0.00 C ATOM 1215 CD2 TYR A 85 -16.742 20.507 -9.678 1.00 0.00 C ATOM 1216 CE1 TYR A 85 -15.110 22.712 -9.395 1.00 0.00 C ATOM 1217 CE2 TYR A 85 -17.280 21.715 -9.295 1.00 0.00 C ATOM 1218 CZ TYR A 85 -16.462 22.814 -9.154 1.00 0.00 C ATOM 1219 OH TYR A 85 -16.998 24.024 -8.763 1.00 0.00 O ATOM 1220 OXT TYR A 85 -15.871 17.576 -8.075 1.00 0.00 O1- ATOM 0 H TYR A 85 -13.894 16.455 -9.913 1.00 0.00 H new ATOM 0 HA TYR A 85 -13.173 19.150 -8.986 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -14.175 19.188 -11.226 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -15.591 18.362 -10.606 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -13.519 21.423 -9.976 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.388 19.648 -9.786 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.471 23.575 -9.282 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -18.340 21.801 -9.106 1.00 0.00 H new ATOM 0 HH TYR A 85 -17.965 23.927 -8.635 1.00 0.00 H new