USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 498 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 ASN : amide:sc= -0.196 K(o=1.8,f=-0.56) USER MOD Set 1.2: A 67 LYS NZ :NH3+ 173:sc= 1.97 (180deg=1.13) USER MOD Single : A 27 TYR OH : rot -130:sc= 0 USER MOD Single : A 28 TYR OH : rot 28:sc= 0.747 USER MOD Single : A 31 HIS : no HD1:sc= -0.0527 X(o=-0.053,f=0) USER MOD Single : A 35 THR OG1 : rot -170:sc= -0.343 USER MOD Single : A 40 MET CE :methyl 164:sc= -0.102 (180deg=-0.471) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -50:sc= 1.19 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 49 THR OG1 : rot -77:sc= 1.26 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.017) USER MOD Single : A 71 THR OG1 : rot 170:sc= 0.0121 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 74 LYS NZ :NH3+ 172:sc= -0.0152 (180deg=-0.0936) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N ALA A 22 -14.884 14.242 -4.398 1.00 0.00 N ATOM 225 CA ALA A 22 -15.081 14.708 -5.734 1.00 0.00 C ATOM 226 C ALA A 22 -16.450 14.256 -6.178 1.00 0.00 C ATOM 227 O ALA A 22 -16.880 13.134 -5.857 1.00 0.00 O ATOM 228 CB ALA A 22 -14.009 14.144 -6.657 1.00 0.00 C ATOM 0 HA ALA A 22 -15.009 15.795 -5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.173 14.509 -7.671 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.026 14.464 -6.311 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.059 13.055 -6.650 1.00 0.00 H new ATOM 234 N ARG A 23 -17.143 15.103 -6.858 1.00 0.00 N ATOM 235 CA ARG A 23 -18.471 14.793 -7.315 1.00 0.00 C ATOM 236 C ARG A 23 -18.483 14.788 -8.825 1.00 0.00 C ATOM 237 O ARG A 23 -19.264 14.064 -9.462 1.00 0.00 O ATOM 238 CB ARG A 23 -19.479 15.813 -6.767 1.00 0.00 C ATOM 239 CG ARG A 23 -19.488 15.901 -5.247 1.00 0.00 C ATOM 240 CD ARG A 23 -20.454 16.957 -4.740 1.00 0.00 C ATOM 241 NE ARG A 23 -21.861 16.632 -5.021 1.00 0.00 N ATOM 242 CZ ARG A 23 -22.896 17.454 -4.772 1.00 0.00 C ATOM 243 NH1 ARG A 23 -22.691 18.651 -4.248 1.00 0.00 N1+ ATOM 244 NH2 ARG A 23 -24.127 17.066 -5.033 1.00 0.00 N ATOM 0 H ARG A 23 -16.813 16.033 -7.118 1.00 0.00 H new ATOM 0 HA ARG A 23 -18.762 13.808 -6.950 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -19.250 16.796 -7.179 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -20.478 15.547 -7.114 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -19.761 14.931 -4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -18.483 16.130 -4.892 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -20.322 17.076 -3.665 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -20.210 17.915 -5.199 1.00 0.00 H new ATOM 0 HE ARG A 23 -22.065 15.721 -5.433 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -21.743 18.957 -4.030 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -23.481 19.269 -4.062 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -24.298 16.140 -5.425 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -24.910 17.692 -4.843 1.00 0.00 H new ATOM 258 N PHE A 24 -17.606 15.570 -9.403 1.00 0.00 N ATOM 259 CA PHE A 24 -17.507 15.657 -10.831 1.00 0.00 C ATOM 260 C PHE A 24 -16.071 15.460 -11.237 1.00 0.00 C ATOM 261 O PHE A 24 -15.182 15.405 -10.406 1.00 0.00 O ATOM 262 CB PHE A 24 -17.934 17.048 -11.365 1.00 0.00 C ATOM 263 CG PHE A 24 -19.325 17.523 -11.046 1.00 0.00 C ATOM 264 CD1 PHE A 24 -19.665 17.931 -9.764 1.00 0.00 C ATOM 265 CD2 PHE A 24 -20.279 17.595 -12.037 1.00 0.00 C ATOM 266 CE1 PHE A 24 -20.928 18.391 -9.482 1.00 0.00 C ATOM 267 CE2 PHE A 24 -21.542 18.063 -11.762 1.00 0.00 C ATOM 268 CZ PHE A 24 -21.868 18.460 -10.484 1.00 0.00 C ATOM 0 H PHE A 24 -16.946 16.160 -8.897 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.166 14.893 -11.244 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -17.231 17.786 -10.978 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -17.823 17.039 -12.449 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -18.926 17.886 -8.977 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -20.032 17.281 -13.040 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -21.182 18.697 -8.478 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -22.279 18.119 -12.549 1.00 0.00 H new ATOM 0 HZ PHE A 24 -22.861 18.825 -10.269 1.00 0.00 H new ATOM 278 N CYS A 25 -15.878 15.307 -12.492 1.00 0.00 N ATOM 279 CA CYS A 25 -14.597 15.367 -13.100 1.00 0.00 C ATOM 280 C CYS A 25 -14.699 16.415 -14.179 1.00 0.00 C ATOM 281 O CYS A 25 -15.717 16.470 -14.893 1.00 0.00 O ATOM 282 CB CYS A 25 -14.239 14.047 -13.761 1.00 0.00 C ATOM 283 SG CYS A 25 -14.125 12.620 -12.664 1.00 0.00 S ATOM 0 H CYS A 25 -16.634 15.130 -13.153 1.00 0.00 H new ATOM 0 HA CYS A 25 -13.836 15.591 -12.352 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -14.984 13.833 -14.527 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -13.283 14.166 -14.271 1.00 0.00 H new ATOM 288 N VAL A 26 -13.720 17.251 -14.285 1.00 0.00 N ATOM 289 CA VAL A 26 -13.719 18.264 -15.313 1.00 0.00 C ATOM 290 C VAL A 26 -12.809 17.810 -16.423 1.00 0.00 C ATOM 291 O VAL A 26 -11.657 17.458 -16.168 1.00 0.00 O ATOM 292 CB VAL A 26 -13.202 19.619 -14.789 1.00 0.00 C ATOM 293 CG1 VAL A 26 -13.511 20.711 -15.777 1.00 0.00 C ATOM 294 CG2 VAL A 26 -13.768 19.945 -13.426 1.00 0.00 C ATOM 0 H VAL A 26 -12.903 17.261 -13.675 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.744 18.400 -15.657 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.120 19.545 -14.677 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.141 21.663 -15.395 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.027 20.489 -16.728 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.589 20.774 -15.924 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.380 20.907 -13.091 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.855 19.993 -13.486 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.478 19.170 -12.717 1.00 0.00 H new ATOM 304 N TYR A 27 -13.326 17.782 -17.623 1.00 0.00 N ATOM 305 CA TYR A 27 -12.558 17.383 -18.773 1.00 0.00 C ATOM 306 C TYR A 27 -12.116 18.581 -19.555 1.00 0.00 C ATOM 307 O TYR A 27 -12.879 19.555 -19.715 1.00 0.00 O ATOM 308 CB TYR A 27 -13.341 16.439 -19.689 1.00 0.00 C ATOM 309 CG TYR A 27 -13.640 15.086 -19.087 1.00 0.00 C ATOM 310 CD1 TYR A 27 -14.493 14.948 -18.004 1.00 0.00 C ATOM 311 CD2 TYR A 27 -13.067 13.945 -19.610 1.00 0.00 C ATOM 312 CE1 TYR A 27 -14.761 13.717 -17.463 1.00 0.00 C ATOM 313 CE2 TYR A 27 -13.336 12.709 -19.074 1.00 0.00 C ATOM 314 CZ TYR A 27 -14.182 12.600 -18.000 1.00 0.00 C ATOM 315 OH TYR A 27 -14.447 11.368 -17.458 1.00 0.00 O ATOM 0 H TYR A 27 -14.292 18.035 -17.831 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.686 16.847 -18.399 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -14.282 16.917 -19.963 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.776 16.296 -20.610 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.955 15.826 -17.578 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.397 14.025 -20.453 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.426 13.630 -16.617 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.882 11.825 -19.497 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.605 10.895 -17.294 1.00 0.00 H new ATOM 325 N TYR A 28 -10.903 18.525 -20.025 1.00 0.00 N ATOM 326 CA TYR A 28 -10.338 19.567 -20.836 1.00 0.00 C ATOM 327 C TYR A 28 -9.647 18.937 -22.036 1.00 0.00 C ATOM 328 O TYR A 28 -9.144 17.797 -21.956 1.00 0.00 O ATOM 329 CB TYR A 28 -9.284 20.389 -20.077 1.00 0.00 C ATOM 330 CG TYR A 28 -9.695 21.016 -18.759 1.00 0.00 C ATOM 331 CD1 TYR A 28 -9.685 20.270 -17.599 1.00 0.00 C ATOM 332 CD2 TYR A 28 -10.034 22.365 -18.668 1.00 0.00 C ATOM 333 CE1 TYR A 28 -9.996 20.829 -16.391 1.00 0.00 C ATOM 334 CE2 TYR A 28 -10.359 22.937 -17.445 1.00 0.00 C ATOM 335 CZ TYR A 28 -10.335 22.152 -16.307 1.00 0.00 C ATOM 336 OH TYR A 28 -10.624 22.697 -15.059 1.00 0.00 O ATOM 0 H TYR A 28 -10.269 17.744 -19.854 1.00 0.00 H new ATOM 0 HA TYR A 28 -11.153 20.228 -21.131 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.427 19.743 -19.888 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.943 21.187 -20.736 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.426 19.223 -17.646 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.044 22.973 -19.560 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.974 20.223 -15.497 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.627 23.981 -17.384 1.00 0.00 H new ATOM 0 HH TYR A 28 -10.138 22.203 -14.366 1.00 0.00 H new ATOM 346 N ASP A 29 -9.648 19.664 -23.120 1.00 0.00 N ATOM 347 CA ASP A 29 -8.956 19.310 -24.338 1.00 0.00 C ATOM 348 C ASP A 29 -7.536 19.800 -24.233 1.00 0.00 C ATOM 349 O ASP A 29 -7.266 20.996 -24.376 1.00 0.00 O ATOM 350 CB ASP A 29 -9.653 19.947 -25.542 1.00 0.00 C ATOM 351 CG ASP A 29 -8.885 19.828 -26.847 1.00 0.00 C ATOM 352 OD1 ASP A 29 -9.001 18.809 -27.549 1.00 0.00 O ATOM 353 OD2 ASP A 29 -8.201 20.796 -27.231 1.00 0.00 O1- ATOM 0 H ASP A 29 -10.147 20.551 -23.186 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.965 18.229 -24.476 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.632 19.484 -25.667 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.825 21.002 -25.331 1.00 0.00 H new ATOM 358 N GLY A 30 -6.667 18.909 -23.885 1.00 0.00 N ATOM 359 CA GLY A 30 -5.283 19.218 -23.714 1.00 0.00 C ATOM 360 C GLY A 30 -4.867 18.997 -22.282 1.00 0.00 C ATOM 361 O GLY A 30 -5.663 19.181 -21.353 1.00 0.00 O ATOM 0 H GLY A 30 -6.900 17.932 -23.709 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.681 18.594 -24.375 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.098 20.254 -23.997 1.00 0.00 H new ATOM 365 N HIS A 31 -3.645 18.611 -22.098 1.00 0.00 N ATOM 366 CA HIS A 31 -3.107 18.365 -20.769 1.00 0.00 C ATOM 367 C HIS A 31 -2.253 19.548 -20.341 1.00 0.00 C ATOM 368 O HIS A 31 -1.681 19.563 -19.252 1.00 0.00 O ATOM 369 CB HIS A 31 -2.276 17.054 -20.714 1.00 0.00 C ATOM 370 CG HIS A 31 -1.027 17.050 -21.563 1.00 0.00 C ATOM 371 ND1 HIS A 31 0.249 17.239 -21.071 1.00 0.00 N ATOM 372 CD2 HIS A 31 -0.887 16.866 -22.889 1.00 0.00 C ATOM 373 CE1 HIS A 31 1.103 17.166 -22.094 1.00 0.00 C ATOM 374 NE2 HIS A 31 0.462 16.939 -23.226 1.00 0.00 N ATOM 0 H HIS A 31 -2.980 18.453 -22.855 1.00 0.00 H new ATOM 0 HA HIS A 31 -3.944 18.246 -20.082 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.993 16.865 -19.678 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -2.912 16.226 -21.027 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.695 16.689 -23.583 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.174 17.278 -22.008 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.871 16.838 -24.155 1.00 0.00 H new ATOM 382 N LEU A 32 -2.177 20.532 -21.210 1.00 0.00 N ATOM 383 CA LEU A 32 -1.386 21.698 -20.977 1.00 0.00 C ATOM 384 C LEU A 32 -2.315 22.805 -20.516 1.00 0.00 C ATOM 385 O LEU A 32 -3.196 23.205 -21.261 1.00 0.00 O ATOM 386 CB LEU A 32 -0.685 22.106 -22.269 1.00 0.00 C ATOM 387 CG LEU A 32 0.375 23.178 -22.136 1.00 0.00 C ATOM 388 CD1 LEU A 32 1.572 22.641 -21.376 1.00 0.00 C ATOM 389 CD2 LEU A 32 0.790 23.689 -23.494 1.00 0.00 C ATOM 0 H LEU A 32 -2.670 20.536 -22.103 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.627 21.504 -20.219 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.225 21.220 -22.705 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.439 22.454 -22.975 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.045 24.013 -21.575 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.327 23.422 -21.287 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.259 22.324 -20.381 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.992 21.790 -21.912 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.553 24.459 -23.376 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.193 22.866 -24.085 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.076 24.111 -24.004 1.00 0.00 H new ATOM 401 N PRO A 33 -2.110 23.342 -19.313 1.00 0.00 N ATOM 402 CA PRO A 33 -3.039 24.298 -18.682 1.00 0.00 C ATOM 403 C PRO A 33 -3.311 25.546 -19.513 1.00 0.00 C ATOM 404 O PRO A 33 -4.441 26.018 -19.574 1.00 0.00 O ATOM 405 CB PRO A 33 -2.354 24.668 -17.365 1.00 0.00 C ATOM 406 CG PRO A 33 -0.939 24.251 -17.532 1.00 0.00 C ATOM 407 CD PRO A 33 -0.948 23.077 -18.453 1.00 0.00 C ATOM 0 HA PRO A 33 -4.023 23.846 -18.559 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.429 25.738 -17.169 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.819 24.156 -16.522 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.342 25.064 -17.945 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.497 23.987 -16.571 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.026 23.009 -19.030 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.054 22.138 -17.909 1.00 0.00 H new ATOM 415 N ALA A 34 -2.297 26.032 -20.202 1.00 0.00 N ATOM 416 CA ALA A 34 -2.416 27.260 -20.974 1.00 0.00 C ATOM 417 C ALA A 34 -3.015 27.025 -22.361 1.00 0.00 C ATOM 418 O ALA A 34 -3.184 27.961 -23.140 1.00 0.00 O ATOM 419 CB ALA A 34 -1.059 27.927 -21.097 1.00 0.00 C ATOM 0 H ALA A 34 -1.376 25.595 -20.245 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.102 27.915 -20.437 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.156 28.845 -21.676 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.678 28.163 -20.103 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.366 27.252 -21.600 1.00 0.00 H new ATOM 425 N THR A 35 -3.300 25.795 -22.693 1.00 0.00 N ATOM 426 CA THR A 35 -3.847 25.497 -23.999 1.00 0.00 C ATOM 427 C THR A 35 -5.028 24.503 -23.881 1.00 0.00 C ATOM 428 O THR A 35 -5.586 24.047 -24.876 1.00 0.00 O ATOM 429 CB THR A 35 -2.714 24.929 -24.908 1.00 0.00 C ATOM 430 OG1 THR A 35 -1.562 25.790 -24.795 1.00 0.00 O ATOM 431 CG2 THR A 35 -3.129 24.905 -26.372 1.00 0.00 C ATOM 0 H THR A 35 -3.166 24.986 -22.087 1.00 0.00 H new ATOM 0 HA THR A 35 -4.236 26.409 -24.450 1.00 0.00 H new ATOM 0 HB THR A 35 -2.498 23.911 -24.584 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.900 25.542 -25.474 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.314 24.503 -26.975 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.012 24.276 -26.490 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.359 25.918 -26.702 1.00 0.00 H new ATOM 439 N ARG A 36 -5.434 24.196 -22.670 1.00 0.00 N ATOM 440 CA ARG A 36 -6.474 23.227 -22.493 1.00 0.00 C ATOM 441 C ARG A 36 -7.843 23.898 -22.546 1.00 0.00 C ATOM 442 O ARG A 36 -8.088 24.908 -21.874 1.00 0.00 O ATOM 443 CB ARG A 36 -6.271 22.428 -21.205 1.00 0.00 C ATOM 444 CG ARG A 36 -6.419 23.231 -19.936 1.00 0.00 C ATOM 445 CD ARG A 36 -6.240 22.375 -18.712 1.00 0.00 C ATOM 446 NE ARG A 36 -6.415 23.163 -17.500 1.00 0.00 N ATOM 447 CZ ARG A 36 -6.576 22.672 -16.260 1.00 0.00 C ATOM 448 NH1 ARG A 36 -6.559 21.356 -16.043 1.00 0.00 N1+ ATOM 449 NH2 ARG A 36 -6.748 23.505 -15.245 1.00 0.00 N ATOM 0 H ARG A 36 -5.063 24.599 -21.810 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.428 22.513 -23.315 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.988 21.607 -21.186 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.277 21.982 -21.223 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.685 24.037 -19.927 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.404 23.697 -19.913 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.960 21.557 -18.726 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.247 21.926 -18.719 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.415 24.178 -17.602 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.423 20.712 -16.822 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.682 20.993 -15.098 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.758 24.512 -15.408 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.871 23.140 -14.301 1.00 0.00 H new ATOM 463 N VAL A 37 -8.700 23.369 -23.363 1.00 0.00 N ATOM 464 CA VAL A 37 -10.029 23.917 -23.548 1.00 0.00 C ATOM 465 C VAL A 37 -11.023 23.165 -22.678 1.00 0.00 C ATOM 466 O VAL A 37 -11.044 21.948 -22.688 1.00 0.00 O ATOM 467 CB VAL A 37 -10.460 23.820 -25.036 1.00 0.00 C ATOM 468 CG1 VAL A 37 -11.855 24.403 -25.259 1.00 0.00 C ATOM 469 CG2 VAL A 37 -9.439 24.515 -25.926 1.00 0.00 C ATOM 0 H VAL A 37 -8.507 22.542 -23.928 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.013 24.967 -23.258 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.502 22.764 -25.303 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.121 24.317 -26.312 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.579 23.855 -24.656 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.861 25.453 -24.968 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.753 24.440 -26.967 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.366 25.565 -25.644 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.466 24.038 -25.805 1.00 0.00 H new ATOM 479 N LEU A 38 -11.810 23.888 -21.916 1.00 0.00 N ATOM 480 CA LEU A 38 -12.827 23.302 -21.050 1.00 0.00 C ATOM 481 C LEU A 38 -13.838 22.531 -21.912 1.00 0.00 C ATOM 482 O LEU A 38 -14.384 23.080 -22.874 1.00 0.00 O ATOM 483 CB LEU A 38 -13.506 24.448 -20.229 1.00 0.00 C ATOM 484 CG LEU A 38 -14.601 24.101 -19.174 1.00 0.00 C ATOM 485 CD1 LEU A 38 -15.933 23.714 -19.803 1.00 0.00 C ATOM 486 CD2 LEU A 38 -14.121 23.003 -18.258 1.00 0.00 C ATOM 0 H LEU A 38 -11.769 24.906 -21.874 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.386 22.596 -20.346 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.715 24.989 -19.710 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.951 25.141 -20.944 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.775 25.009 -18.597 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.653 23.484 -19.018 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.305 24.543 -20.405 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.795 22.838 -20.437 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.897 22.773 -17.528 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.899 22.111 -18.844 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.220 23.330 -17.739 1.00 0.00 H new ATOM 498 N LEU A 39 -14.058 21.273 -21.589 1.00 0.00 N ATOM 499 CA LEU A 39 -14.983 20.467 -22.352 1.00 0.00 C ATOM 500 C LEU A 39 -16.293 20.238 -21.620 1.00 0.00 C ATOM 501 O LEU A 39 -17.337 20.680 -22.089 1.00 0.00 O ATOM 502 CB LEU A 39 -14.360 19.128 -22.745 1.00 0.00 C ATOM 503 CG LEU A 39 -13.165 19.188 -23.694 1.00 0.00 C ATOM 504 CD1 LEU A 39 -12.626 17.796 -23.937 1.00 0.00 C ATOM 505 CD2 LEU A 39 -13.552 19.846 -25.017 1.00 0.00 C ATOM 0 H LEU A 39 -13.612 20.791 -20.809 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.205 21.031 -23.258 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.048 18.616 -21.835 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.133 18.514 -23.207 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.387 19.794 -23.230 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.774 17.849 -24.615 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.310 17.358 -22.990 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.405 17.177 -24.381 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.684 19.877 -25.676 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.347 19.270 -25.491 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.902 20.861 -24.830 1.00 0.00 H new ATOM 517 N MET A 40 -16.248 19.572 -20.464 1.00 0.00 N ATOM 518 CA MET A 40 -17.471 19.232 -19.740 1.00 0.00 C ATOM 519 C MET A 40 -17.179 18.654 -18.385 1.00 0.00 C ATOM 520 O MET A 40 -16.044 18.255 -18.092 1.00 0.00 O ATOM 521 CB MET A 40 -18.398 18.291 -20.547 1.00 0.00 C ATOM 522 CG MET A 40 -17.775 16.984 -20.955 1.00 0.00 C ATOM 523 SD MET A 40 -18.925 15.876 -21.801 1.00 0.00 S ATOM 524 CE MET A 40 -19.402 16.860 -23.223 1.00 0.00 C ATOM 0 H MET A 40 -15.387 19.261 -20.014 1.00 0.00 H new ATOM 0 HA MET A 40 -18.005 20.171 -19.598 1.00 0.00 H new ATOM 0 HB2 MET A 40 -19.287 18.083 -19.952 1.00 0.00 H new ATOM 0 HB3 MET A 40 -18.730 18.814 -21.444 1.00 0.00 H new ATOM 0 HG2 MET A 40 -16.926 17.183 -21.609 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.385 16.483 -20.069 1.00 0.00 H new ATOM 0 HE1 MET A 40 -19.871 16.218 -23.969 1.00 0.00 H new ATOM 0 HE2 MET A 40 -20.107 17.631 -22.912 1.00 0.00 H new ATOM 0 HE3 MET A 40 -18.518 17.330 -23.653 1.00 0.00 H new ATOM 534 N TYR A 41 -18.194 18.645 -17.574 1.00 0.00 N ATOM 535 CA TYR A 41 -18.164 18.143 -16.226 1.00 0.00 C ATOM 536 C TYR A 41 -18.969 16.857 -16.188 1.00 0.00 C ATOM 537 O TYR A 41 -20.070 16.807 -16.718 1.00 0.00 O ATOM 538 CB TYR A 41 -18.802 19.166 -15.271 1.00 0.00 C ATOM 539 CG TYR A 41 -18.097 20.514 -15.191 1.00 0.00 C ATOM 540 CD1 TYR A 41 -18.261 21.472 -16.190 1.00 0.00 C ATOM 541 CD2 TYR A 41 -17.278 20.828 -14.116 1.00 0.00 C ATOM 542 CE1 TYR A 41 -17.629 22.695 -16.120 1.00 0.00 C ATOM 543 CE2 TYR A 41 -16.644 22.058 -14.037 1.00 0.00 C ATOM 544 CZ TYR A 41 -16.823 22.985 -15.044 1.00 0.00 C ATOM 545 OH TYR A 41 -16.196 24.218 -14.971 1.00 0.00 O ATOM 0 H TYR A 41 -19.110 19.004 -17.843 1.00 0.00 H new ATOM 0 HA TYR A 41 -17.134 17.965 -15.916 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -19.834 19.333 -15.581 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -18.835 18.733 -14.271 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -18.896 21.252 -17.036 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -17.132 20.103 -13.329 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.766 23.422 -16.907 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.013 22.290 -13.192 1.00 0.00 H new ATOM 0 HH TYR A 41 -15.664 24.266 -14.149 1.00 0.00 H new ATOM 555 N VAL A 42 -18.419 15.829 -15.599 1.00 0.00 N ATOM 556 CA VAL A 42 -19.076 14.524 -15.537 1.00 0.00 C ATOM 557 C VAL A 42 -19.129 14.048 -14.099 1.00 0.00 C ATOM 558 O VAL A 42 -18.204 14.260 -13.366 1.00 0.00 O ATOM 559 CB VAL A 42 -18.301 13.490 -16.396 1.00 0.00 C ATOM 560 CG1 VAL A 42 -18.953 12.112 -16.352 1.00 0.00 C ATOM 561 CG2 VAL A 42 -18.171 13.982 -17.831 1.00 0.00 C ATOM 0 H VAL A 42 -17.506 15.859 -15.146 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.089 14.622 -15.928 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.303 13.388 -15.969 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -18.379 11.418 -16.966 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.975 11.753 -15.323 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -19.971 12.179 -16.735 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.625 13.245 -18.420 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -19.164 14.125 -18.258 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.631 14.929 -17.844 1.00 0.00 H new ATOM 571 N ARG A 43 -20.217 13.418 -13.717 1.00 0.00 N ATOM 572 CA ARG A 43 -20.408 12.924 -12.356 1.00 0.00 C ATOM 573 C ARG A 43 -19.637 11.647 -12.114 1.00 0.00 C ATOM 574 O ARG A 43 -19.602 10.752 -12.977 1.00 0.00 O ATOM 575 CB ARG A 43 -21.907 12.684 -12.046 1.00 0.00 C ATOM 576 CG ARG A 43 -22.726 13.926 -11.680 1.00 0.00 C ATOM 577 CD ARG A 43 -22.633 15.015 -12.725 1.00 0.00 C ATOM 578 NE ARG A 43 -23.138 14.599 -14.044 1.00 0.00 N ATOM 579 CZ ARG A 43 -23.123 15.366 -15.152 1.00 0.00 C ATOM 580 NH1 ARG A 43 -22.847 16.659 -15.066 1.00 0.00 N1+ ATOM 581 NH2 ARG A 43 -23.460 14.848 -16.318 1.00 0.00 N ATOM 0 H ARG A 43 -21.003 13.229 -14.339 1.00 0.00 H new ATOM 0 HA ARG A 43 -20.027 13.697 -11.688 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -22.366 12.214 -12.916 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -21.978 11.972 -11.224 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -23.770 13.642 -11.549 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -22.379 14.316 -10.723 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -23.196 15.884 -12.385 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -21.593 15.327 -12.823 1.00 0.00 H new ATOM 0 HE ARG A 43 -23.528 13.660 -14.125 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -22.645 17.078 -14.158 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -22.837 17.235 -15.907 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -23.732 13.867 -16.381 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -23.449 15.429 -17.156 1.00 0.00 H new ATOM 595 N ILE A 44 -19.014 11.579 -10.967 1.00 0.00 N ATOM 596 CA ILE A 44 -18.296 10.366 -10.521 1.00 0.00 C ATOM 597 C ILE A 44 -19.263 9.187 -10.483 1.00 0.00 C ATOM 598 O ILE A 44 -20.235 9.180 -9.724 1.00 0.00 O ATOM 599 CB ILE A 44 -17.663 10.525 -9.099 1.00 0.00 C ATOM 600 CG1 ILE A 44 -16.672 11.684 -9.076 1.00 0.00 C ATOM 601 CG2 ILE A 44 -16.967 9.217 -8.650 1.00 0.00 C ATOM 602 CD1 ILE A 44 -15.403 11.446 -9.855 1.00 0.00 C ATOM 0 H ILE A 44 -18.977 12.350 -10.301 1.00 0.00 H new ATOM 0 HA ILE A 44 -17.489 10.198 -11.234 1.00 0.00 H new ATOM 0 HB ILE A 44 -18.469 10.741 -8.398 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -17.164 12.572 -9.472 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -16.411 11.900 -8.040 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -16.536 9.356 -7.659 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.697 8.409 -8.618 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.177 8.964 -9.357 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.761 12.323 -9.781 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.883 10.580 -9.447 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.647 11.263 -10.901 1.00 0.00 H new ATOM 614 N GLY A 45 -19.004 8.230 -11.304 1.00 0.00 N ATOM 615 CA GLY A 45 -19.820 7.055 -11.366 1.00 0.00 C ATOM 616 C GLY A 45 -20.575 6.949 -12.669 1.00 0.00 C ATOM 617 O GLY A 45 -21.063 5.874 -13.023 1.00 0.00 O ATOM 0 H GLY A 45 -18.219 8.234 -11.956 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -19.193 6.173 -11.240 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -20.529 7.064 -10.538 1.00 0.00 H new ATOM 621 N THR A 46 -20.642 8.026 -13.408 1.00 0.00 N ATOM 622 CA THR A 46 -21.401 8.025 -14.628 1.00 0.00 C ATOM 623 C THR A 46 -20.500 7.902 -15.842 1.00 0.00 C ATOM 624 O THR A 46 -19.274 8.114 -15.767 1.00 0.00 O ATOM 625 CB THR A 46 -22.308 9.291 -14.753 1.00 0.00 C ATOM 626 OG1 THR A 46 -21.515 10.499 -14.780 1.00 0.00 O ATOM 627 CG2 THR A 46 -23.287 9.367 -13.588 1.00 0.00 C ATOM 0 H THR A 46 -20.183 8.909 -13.187 1.00 0.00 H new ATOM 0 HA THR A 46 -22.050 7.150 -14.591 1.00 0.00 H new ATOM 0 HB THR A 46 -22.860 9.206 -15.689 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.879 10.489 -14.035 1.00 0.00 H new ATOM 0 HG21 THR A 46 -23.910 10.255 -13.693 1.00 0.00 H new ATOM 0 HG22 THR A 46 -23.919 8.479 -13.585 1.00 0.00 H new ATOM 0 HG23 THR A 46 -22.734 9.421 -12.651 1.00 0.00 H new ATOM 635 N THR A 47 -21.097 7.551 -16.926 1.00 0.00 N ATOM 636 CA THR A 47 -20.436 7.475 -18.186 1.00 0.00 C ATOM 637 C THR A 47 -20.740 8.723 -18.947 1.00 0.00 C ATOM 638 O THR A 47 -21.804 9.324 -18.761 1.00 0.00 O ATOM 639 CB THR A 47 -20.896 6.258 -18.992 1.00 0.00 C ATOM 640 OG1 THR A 47 -22.336 6.186 -18.987 1.00 0.00 O ATOM 641 CG2 THR A 47 -20.322 4.979 -18.430 1.00 0.00 C ATOM 0 H THR A 47 -22.085 7.302 -16.965 1.00 0.00 H new ATOM 0 HA THR A 47 -19.364 7.371 -18.018 1.00 0.00 H new ATOM 0 HB THR A 47 -20.536 6.373 -20.014 1.00 0.00 H new ATOM 0 HG1 THR A 47 -22.626 5.407 -19.505 1.00 0.00 H new ATOM 0 HG21 THR A 47 -20.667 4.133 -19.024 1.00 0.00 H new ATOM 0 HG22 THR A 47 -19.233 5.024 -18.461 1.00 0.00 H new ATOM 0 HG23 THR A 47 -20.650 4.855 -17.398 1.00 0.00 H new ATOM 649 N ALA A 48 -19.873 9.090 -19.802 1.00 0.00 N ATOM 650 CA ALA A 48 -19.999 10.345 -20.487 1.00 0.00 C ATOM 651 C ALA A 48 -19.550 10.269 -21.903 1.00 0.00 C ATOM 652 O ALA A 48 -18.571 9.592 -22.229 1.00 0.00 O ATOM 653 CB ALA A 48 -19.184 11.385 -19.786 1.00 0.00 C ATOM 0 H ALA A 48 -19.051 8.543 -20.059 1.00 0.00 H new ATOM 0 HA ALA A 48 -21.057 10.606 -20.480 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.282 12.337 -20.308 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -19.539 11.495 -18.761 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -18.137 11.082 -19.777 1.00 0.00 H new ATOM 659 N THR A 49 -20.250 10.969 -22.731 1.00 0.00 N ATOM 660 CA THR A 49 -19.890 11.107 -24.083 1.00 0.00 C ATOM 661 C THR A 49 -19.184 12.456 -24.216 1.00 0.00 C ATOM 662 O THR A 49 -19.815 13.510 -24.129 1.00 0.00 O ATOM 663 CB THR A 49 -21.146 11.097 -24.966 1.00 0.00 C ATOM 664 OG1 THR A 49 -22.007 10.020 -24.549 1.00 0.00 O ATOM 665 CG2 THR A 49 -20.767 10.900 -26.428 1.00 0.00 C ATOM 0 H THR A 49 -21.102 11.466 -22.472 1.00 0.00 H new ATOM 0 HA THR A 49 -19.245 10.287 -24.399 1.00 0.00 H new ATOM 0 HB THR A 49 -21.661 12.052 -24.861 1.00 0.00 H new ATOM 0 HG1 THR A 49 -21.659 9.171 -24.893 1.00 0.00 H new ATOM 0 HG21 THR A 49 -21.669 10.895 -27.040 1.00 0.00 H new ATOM 0 HG22 THR A 49 -20.116 11.713 -26.748 1.00 0.00 H new ATOM 0 HG23 THR A 49 -20.245 9.950 -26.544 1.00 0.00 H new ATOM 673 N ILE A 50 -17.896 12.416 -24.353 1.00 0.00 N ATOM 674 CA ILE A 50 -17.097 13.603 -24.499 1.00 0.00 C ATOM 675 C ILE A 50 -16.927 13.809 -25.984 1.00 0.00 C ATOM 676 O ILE A 50 -16.929 12.846 -26.744 1.00 0.00 O ATOM 677 CB ILE A 50 -15.674 13.402 -23.907 1.00 0.00 C ATOM 678 CG1 ILE A 50 -15.710 12.699 -22.535 1.00 0.00 C ATOM 679 CG2 ILE A 50 -14.944 14.743 -23.801 1.00 0.00 C ATOM 680 CD1 ILE A 50 -16.420 13.467 -21.437 1.00 0.00 C ATOM 0 H ILE A 50 -17.358 11.550 -24.367 1.00 0.00 H new ATOM 0 HA ILE A 50 -17.579 14.437 -23.988 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.128 12.752 -24.591 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -16.197 11.731 -22.653 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.686 12.504 -22.217 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.949 14.584 -23.385 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -14.856 15.188 -24.792 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.507 15.413 -23.151 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.391 12.890 -20.513 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -15.923 14.425 -21.283 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -17.457 13.639 -21.725 1.00 0.00 H new ATOM 692 N THR A 51 -16.857 15.008 -26.406 1.00 0.00 N ATOM 693 CA THR A 51 -16.618 15.290 -27.791 1.00 0.00 C ATOM 694 C THR A 51 -15.503 16.313 -27.897 1.00 0.00 C ATOM 695 O THR A 51 -15.663 17.464 -27.487 1.00 0.00 O ATOM 696 CB THR A 51 -17.897 15.790 -28.478 1.00 0.00 C ATOM 697 OG1 THR A 51 -18.945 14.834 -28.235 1.00 0.00 O ATOM 698 CG2 THR A 51 -17.694 15.937 -29.984 1.00 0.00 C ATOM 0 H THR A 51 -16.961 15.832 -25.815 1.00 0.00 H new ATOM 0 HA THR A 51 -16.317 14.376 -28.302 1.00 0.00 H new ATOM 0 HB THR A 51 -18.157 16.768 -28.073 1.00 0.00 H new ATOM 0 HG1 THR A 51 -19.771 15.138 -28.666 1.00 0.00 H new ATOM 0 HG21 THR A 51 -18.617 16.293 -30.443 1.00 0.00 H new ATOM 0 HG22 THR A 51 -16.895 16.653 -30.175 1.00 0.00 H new ATOM 0 HG23 THR A 51 -17.426 14.971 -30.411 1.00 0.00 H new ATOM 706 N ALA A 52 -14.373 15.875 -28.384 1.00 0.00 N ATOM 707 CA ALA A 52 -13.218 16.721 -28.511 1.00 0.00 C ATOM 708 C ALA A 52 -12.567 16.489 -29.854 1.00 0.00 C ATOM 709 O ALA A 52 -12.451 15.346 -30.307 1.00 0.00 O ATOM 710 CB ALA A 52 -12.245 16.472 -27.379 1.00 0.00 C ATOM 0 H ALA A 52 -14.228 14.918 -28.705 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.529 17.764 -28.450 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.378 17.123 -27.495 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.733 16.683 -26.427 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.922 15.431 -27.399 1.00 0.00 H new ATOM 716 N ARG A 53 -12.202 17.583 -30.504 1.00 0.00 N ATOM 717 CA ARG A 53 -11.610 17.631 -31.859 1.00 0.00 C ATOM 718 C ARG A 53 -12.555 17.021 -32.877 1.00 0.00 C ATOM 719 O ARG A 53 -12.149 16.585 -33.956 1.00 0.00 O ATOM 720 CB ARG A 53 -10.238 16.943 -31.927 1.00 0.00 C ATOM 721 CG ARG A 53 -9.224 17.494 -30.955 1.00 0.00 C ATOM 722 CD ARG A 53 -7.824 16.984 -31.250 1.00 0.00 C ATOM 723 NE ARG A 53 -7.747 15.514 -31.319 1.00 0.00 N ATOM 724 CZ ARG A 53 -6.605 14.810 -31.476 1.00 0.00 C ATOM 725 NH1 ARG A 53 -5.422 15.426 -31.480 1.00 0.00 N1+ ATOM 726 NH2 ARG A 53 -6.653 13.493 -31.618 1.00 0.00 N ATOM 0 H ARG A 53 -12.310 18.511 -30.095 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.455 18.683 -32.098 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.368 15.878 -31.735 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.845 17.039 -32.939 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.231 18.583 -31.001 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.506 17.216 -29.939 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.482 17.405 -32.196 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.143 17.342 -30.478 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.619 14.990 -31.243 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.374 16.438 -31.364 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.566 14.885 -31.599 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.552 13.011 -31.609 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.791 12.961 -31.737 1.00 0.00 H new ATOM 740 N GLY A 54 -13.818 17.061 -32.546 1.00 0.00 N ATOM 741 CA GLY A 54 -14.841 16.505 -33.391 1.00 0.00 C ATOM 742 C GLY A 54 -14.944 14.993 -33.267 1.00 0.00 C ATOM 743 O GLY A 54 -15.529 14.343 -34.126 1.00 0.00 O ATOM 0 H GLY A 54 -14.167 17.480 -31.684 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -15.801 16.953 -33.136 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.633 16.767 -34.428 1.00 0.00 H new ATOM 747 N HIS A 55 -14.363 14.426 -32.215 1.00 0.00 N ATOM 748 CA HIS A 55 -14.425 12.983 -31.976 1.00 0.00 C ATOM 749 C HIS A 55 -15.221 12.715 -30.708 1.00 0.00 C ATOM 750 O HIS A 55 -15.103 13.460 -29.734 1.00 0.00 O ATOM 751 CB HIS A 55 -13.018 12.371 -31.783 1.00 0.00 C ATOM 752 CG HIS A 55 -12.041 12.548 -32.911 1.00 0.00 C ATOM 753 ND1 HIS A 55 -11.614 11.527 -33.731 1.00 0.00 N ATOM 754 CD2 HIS A 55 -11.342 13.638 -33.289 1.00 0.00 C ATOM 755 CE1 HIS A 55 -10.686 12.017 -34.557 1.00 0.00 C ATOM 756 NE2 HIS A 55 -10.483 13.303 -34.328 1.00 0.00 N ATOM 0 H HIS A 55 -13.840 14.945 -31.509 1.00 0.00 H new ATOM 0 HA HIS A 55 -14.895 12.529 -32.848 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.580 12.803 -30.883 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -13.135 11.303 -31.599 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -11.436 14.621 -32.851 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.171 11.440 -35.311 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.832 13.920 -34.813 1.00 0.00 H new ATOM 764 N GLU A 56 -16.017 11.676 -30.722 1.00 0.00 N ATOM 765 CA GLU A 56 -16.785 11.263 -29.561 1.00 0.00 C ATOM 766 C GLU A 56 -16.005 10.225 -28.777 1.00 0.00 C ATOM 767 O GLU A 56 -15.416 9.304 -29.358 1.00 0.00 O ATOM 768 CB GLU A 56 -18.114 10.657 -29.982 1.00 0.00 C ATOM 769 CG GLU A 56 -19.081 11.633 -30.604 1.00 0.00 C ATOM 770 CD GLU A 56 -20.265 10.927 -31.203 1.00 0.00 C ATOM 771 OE1 GLU A 56 -21.176 10.502 -30.461 1.00 0.00 O1- ATOM 772 OE2 GLU A 56 -20.298 10.759 -32.434 1.00 0.00 O ATOM 0 H GLU A 56 -16.156 11.085 -31.542 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.971 12.143 -28.945 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.923 9.853 -30.692 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.585 10.206 -29.109 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -19.422 12.341 -29.849 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.572 12.211 -31.375 1.00 0.00 H new ATOM 779 N PHE A 57 -15.964 10.392 -27.499 1.00 0.00 N ATOM 780 CA PHE A 57 -15.306 9.489 -26.612 1.00 0.00 C ATOM 781 C PHE A 57 -16.268 9.117 -25.506 1.00 0.00 C ATOM 782 O PHE A 57 -16.685 9.981 -24.741 1.00 0.00 O ATOM 783 CB PHE A 57 -14.089 10.171 -25.987 1.00 0.00 C ATOM 784 CG PHE A 57 -13.095 10.709 -26.972 1.00 0.00 C ATOM 785 CD1 PHE A 57 -12.183 9.872 -27.591 1.00 0.00 C ATOM 786 CD2 PHE A 57 -13.081 12.059 -27.282 1.00 0.00 C ATOM 787 CE1 PHE A 57 -11.277 10.371 -28.503 1.00 0.00 C ATOM 788 CE2 PHE A 57 -12.181 12.562 -28.188 1.00 0.00 C ATOM 789 CZ PHE A 57 -11.277 11.720 -28.802 1.00 0.00 C ATOM 0 H PHE A 57 -16.400 11.184 -27.027 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.986 8.604 -27.163 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.433 10.990 -25.356 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.584 9.457 -25.336 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.181 8.818 -27.357 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.786 12.723 -26.805 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.570 9.710 -28.982 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -12.181 13.617 -28.420 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.570 12.115 -29.516 1.00 0.00 H new ATOM 799 N GLU A 58 -16.653 7.874 -25.446 1.00 0.00 N ATOM 800 CA GLU A 58 -17.518 7.416 -24.392 1.00 0.00 C ATOM 801 C GLU A 58 -16.633 6.881 -23.269 1.00 0.00 C ATOM 802 O GLU A 58 -15.990 5.824 -23.394 1.00 0.00 O ATOM 803 CB GLU A 58 -18.451 6.328 -24.918 1.00 0.00 C ATOM 804 CG GLU A 58 -19.544 5.897 -23.950 1.00 0.00 C ATOM 805 CD GLU A 58 -20.573 6.975 -23.662 1.00 0.00 C ATOM 806 OE1 GLU A 58 -21.193 7.498 -24.626 1.00 0.00 O ATOM 807 OE2 GLU A 58 -20.867 7.235 -22.481 1.00 0.00 O1- ATOM 0 H GLU A 58 -16.381 7.155 -26.117 1.00 0.00 H new ATOM 0 HA GLU A 58 -18.140 8.229 -24.019 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -18.919 6.684 -25.836 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -17.854 5.455 -25.182 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -20.052 5.023 -24.358 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.083 5.589 -23.012 1.00 0.00 H new ATOM 814 N VAL A 59 -16.578 7.612 -22.206 1.00 0.00 N ATOM 815 CA VAL A 59 -15.723 7.287 -21.094 1.00 0.00 C ATOM 816 C VAL A 59 -16.550 7.028 -19.876 1.00 0.00 C ATOM 817 O VAL A 59 -17.734 7.369 -19.827 1.00 0.00 O ATOM 818 CB VAL A 59 -14.709 8.435 -20.776 1.00 0.00 C ATOM 819 CG1 VAL A 59 -13.787 8.706 -21.949 1.00 0.00 C ATOM 820 CG2 VAL A 59 -15.431 9.715 -20.360 1.00 0.00 C ATOM 0 H VAL A 59 -17.127 8.462 -22.075 1.00 0.00 H new ATOM 0 HA VAL A 59 -15.158 6.397 -21.372 1.00 0.00 H new ATOM 0 HB VAL A 59 -14.099 8.098 -19.938 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -13.097 9.509 -21.691 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.222 7.804 -22.184 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -14.378 9.000 -22.816 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -14.698 10.493 -20.146 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -16.084 10.044 -21.169 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -16.027 9.523 -19.468 1.00 0.00 H new ATOM 830 N GLU A 60 -15.951 6.423 -18.927 1.00 0.00 N ATOM 831 CA GLU A 60 -16.561 6.189 -17.688 1.00 0.00 C ATOM 832 C GLU A 60 -15.743 6.850 -16.589 1.00 0.00 C ATOM 833 O GLU A 60 -14.535 6.604 -16.439 1.00 0.00 O ATOM 834 CB GLU A 60 -16.749 4.692 -17.455 1.00 0.00 C ATOM 835 CG GLU A 60 -15.493 3.868 -17.529 1.00 0.00 C ATOM 836 CD GLU A 60 -15.762 2.406 -17.314 1.00 0.00 C ATOM 837 OE1 GLU A 60 -16.305 1.743 -18.227 1.00 0.00 O1- ATOM 838 OE2 GLU A 60 -15.437 1.871 -16.242 1.00 0.00 O ATOM 0 H GLU A 60 -14.997 6.069 -18.996 1.00 0.00 H new ATOM 0 HA GLU A 60 -17.557 6.633 -17.677 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.201 4.548 -16.474 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -17.457 4.312 -18.192 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.024 4.010 -18.502 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.785 4.220 -16.779 1.00 0.00 H new ATOM 845 N ALA A 61 -16.379 7.712 -15.847 1.00 0.00 N ATOM 846 CA ALA A 61 -15.729 8.376 -14.738 1.00 0.00 C ATOM 847 C ALA A 61 -15.930 7.513 -13.520 1.00 0.00 C ATOM 848 O ALA A 61 -16.688 7.835 -12.624 1.00 0.00 O ATOM 849 CB ALA A 61 -16.283 9.785 -14.528 1.00 0.00 C ATOM 0 H ALA A 61 -17.354 7.977 -15.987 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.665 8.500 -14.940 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -15.773 10.255 -13.687 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.121 10.378 -15.428 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -17.351 9.728 -14.318 1.00 0.00 H new ATOM 855 N LYS A 62 -15.285 6.386 -13.545 1.00 0.00 N ATOM 856 CA LYS A 62 -15.473 5.350 -12.556 1.00 0.00 C ATOM 857 C LYS A 62 -14.729 5.603 -11.260 1.00 0.00 C ATOM 858 O LYS A 62 -15.072 5.035 -10.234 1.00 0.00 O ATOM 859 CB LYS A 62 -15.057 4.000 -13.131 1.00 0.00 C ATOM 860 CG LYS A 62 -13.593 3.952 -13.530 1.00 0.00 C ATOM 861 CD LYS A 62 -13.194 2.609 -14.122 1.00 0.00 C ATOM 862 CE LYS A 62 -13.453 1.461 -13.156 1.00 0.00 C ATOM 863 NZ LYS A 62 -12.966 0.176 -13.689 1.00 0.00 N1+ ATOM 0 H LYS A 62 -14.600 6.150 -14.263 1.00 0.00 H new ATOM 0 HA LYS A 62 -16.535 5.351 -12.311 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.253 3.221 -12.394 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.673 3.777 -14.002 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.392 4.740 -14.256 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.975 4.158 -12.656 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.750 2.440 -15.044 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.137 2.629 -14.386 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.963 1.669 -12.205 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.522 1.389 -12.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.161 -0.581 -13.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.452 -0.035 -14.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.941 0.236 -13.857 1.00 0.00 H new ATOM 877 N ASP A 63 -13.725 6.439 -11.291 1.00 0.00 N ATOM 878 CA ASP A 63 -12.875 6.588 -10.156 1.00 0.00 C ATOM 879 C ASP A 63 -12.896 7.994 -9.623 1.00 0.00 C ATOM 880 O ASP A 63 -12.958 8.953 -10.380 1.00 0.00 O ATOM 881 CB ASP A 63 -11.458 6.129 -10.500 1.00 0.00 C ATOM 882 CG ASP A 63 -10.472 6.435 -9.419 1.00 0.00 C ATOM 883 OD1 ASP A 63 -10.591 5.882 -8.314 1.00 0.00 O ATOM 884 OD2 ASP A 63 -9.570 7.249 -9.664 1.00 0.00 O1- ATOM 0 H ASP A 63 -13.482 7.023 -12.091 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.255 5.952 -9.356 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.464 5.055 -10.687 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.139 6.611 -11.424 1.00 0.00 H new ATOM 889 N GLN A 64 -12.797 8.089 -8.316 1.00 0.00 N ATOM 890 CA GLN A 64 -12.849 9.334 -7.559 1.00 0.00 C ATOM 891 C GLN A 64 -11.593 10.197 -7.747 1.00 0.00 C ATOM 892 O GLN A 64 -11.465 11.269 -7.147 1.00 0.00 O ATOM 893 CB GLN A 64 -13.065 9.007 -6.083 1.00 0.00 C ATOM 894 CG GLN A 64 -11.979 8.129 -5.467 1.00 0.00 C ATOM 895 CD GLN A 64 -12.307 7.656 -4.059 1.00 0.00 C ATOM 896 OE1 GLN A 64 -11.416 7.480 -3.243 1.00 0.00 O ATOM 897 NE2 GLN A 64 -13.567 7.389 -3.784 1.00 0.00 N ATOM 0 H GLN A 64 -12.673 7.270 -7.720 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.682 9.926 -7.939 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -13.123 9.939 -5.521 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -14.027 8.507 -5.971 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -11.820 7.260 -6.106 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.042 8.685 -5.446 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -14.287 7.547 -4.488 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.822 7.024 -2.867 1.00 0.00 H new ATOM 906 N ASN A 65 -10.670 9.730 -8.557 1.00 0.00 N ATOM 907 CA ASN A 65 -9.472 10.502 -8.875 1.00 0.00 C ATOM 908 C ASN A 65 -9.513 10.817 -10.366 1.00 0.00 C ATOM 909 O ASN A 65 -8.559 11.333 -10.954 1.00 0.00 O ATOM 910 CB ASN A 65 -8.186 9.722 -8.509 1.00 0.00 C ATOM 911 CG ASN A 65 -6.897 10.537 -8.659 1.00 0.00 C ATOM 912 OD1 ASN A 65 -5.858 10.002 -9.083 1.00 0.00 O ATOM 913 ND2 ASN A 65 -6.922 11.790 -8.267 1.00 0.00 N ATOM 0 H ASN A 65 -10.719 8.819 -9.012 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.454 11.422 -8.291 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.266 9.374 -7.479 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.119 8.836 -9.141 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.073 12.353 -8.306 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.791 12.200 -7.924 1.00 0.00 H new ATOM 920 N CYS A 66 -10.651 10.494 -10.958 1.00 0.00 N ATOM 921 CA CYS A 66 -10.945 10.730 -12.357 1.00 0.00 C ATOM 922 C CYS A 66 -9.949 10.076 -13.295 1.00 0.00 C ATOM 923 O CYS A 66 -9.294 10.731 -14.106 1.00 0.00 O ATOM 924 CB CYS A 66 -11.125 12.214 -12.644 1.00 0.00 C ATOM 925 SG CYS A 66 -12.429 12.962 -11.623 1.00 0.00 S ATOM 0 H CYS A 66 -11.419 10.046 -10.459 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.898 10.241 -12.561 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -10.184 12.733 -12.464 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -11.368 12.351 -13.698 1.00 0.00 H new ATOM 930 N LYS A 67 -9.782 8.786 -13.127 1.00 0.00 N ATOM 931 CA LYS A 67 -9.000 8.009 -14.049 1.00 0.00 C ATOM 932 C LYS A 67 -9.841 7.714 -15.238 1.00 0.00 C ATOM 933 O LYS A 67 -10.644 6.784 -15.254 1.00 0.00 O ATOM 934 CB LYS A 67 -8.430 6.764 -13.405 1.00 0.00 C ATOM 935 CG LYS A 67 -7.078 6.892 -12.686 1.00 0.00 C ATOM 936 CD LYS A 67 -6.960 8.143 -11.847 1.00 0.00 C ATOM 937 CE LYS A 67 -6.208 9.190 -12.618 1.00 0.00 C ATOM 938 NZ LYS A 67 -6.124 10.488 -11.921 1.00 0.00 N1+ ATOM 0 H LYS A 67 -10.181 8.253 -12.355 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.128 8.581 -14.366 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.160 6.394 -12.685 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.329 6.002 -14.178 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.930 6.021 -12.048 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.279 6.884 -13.427 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.951 8.512 -11.582 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.443 7.921 -10.914 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.199 8.828 -12.818 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.692 9.336 -13.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.495 11.126 -12.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.072 10.910 -11.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.745 10.344 -10.963 1.00 0.00 H new ATOM 952 N VAL A 68 -9.719 8.596 -16.175 1.00 0.00 N ATOM 953 CA VAL A 68 -10.500 8.581 -17.382 1.00 0.00 C ATOM 954 C VAL A 68 -10.189 7.367 -18.271 1.00 0.00 C ATOM 955 O VAL A 68 -9.104 7.234 -18.869 1.00 0.00 O ATOM 956 CB VAL A 68 -10.412 9.937 -18.155 1.00 0.00 C ATOM 957 CG1 VAL A 68 -8.981 10.311 -18.527 1.00 0.00 C ATOM 958 CG2 VAL A 68 -11.312 9.922 -19.370 1.00 0.00 C ATOM 0 H VAL A 68 -9.057 9.371 -16.127 1.00 0.00 H new ATOM 0 HA VAL A 68 -11.541 8.467 -17.079 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.764 10.713 -17.476 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.980 11.261 -19.062 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.382 10.404 -17.621 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.556 9.536 -19.165 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.234 10.876 -19.892 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.008 9.117 -20.038 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.344 9.763 -19.057 1.00 0.00 H new ATOM 968 N ILE A 69 -11.124 6.472 -18.302 1.00 0.00 N ATOM 969 CA ILE A 69 -11.039 5.271 -19.079 1.00 0.00 C ATOM 970 C ILE A 69 -12.293 5.190 -19.917 1.00 0.00 C ATOM 971 O ILE A 69 -13.358 5.620 -19.486 1.00 0.00 O ATOM 972 CB ILE A 69 -10.908 4.010 -18.143 1.00 0.00 C ATOM 973 CG1 ILE A 69 -9.628 4.121 -17.311 1.00 0.00 C ATOM 974 CG2 ILE A 69 -10.903 2.703 -18.943 1.00 0.00 C ATOM 975 CD1 ILE A 69 -9.481 3.070 -16.227 1.00 0.00 C ATOM 0 H ILE A 69 -11.993 6.556 -17.774 1.00 0.00 H new ATOM 0 HA ILE A 69 -10.155 5.288 -19.716 1.00 0.00 H new ATOM 0 HB ILE A 69 -11.777 3.987 -17.485 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.770 4.055 -17.980 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -9.597 5.107 -16.848 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -10.811 1.859 -18.260 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -11.833 2.616 -19.504 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -10.061 2.703 -19.635 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -8.545 3.229 -15.691 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -10.316 3.147 -15.530 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -9.476 2.079 -16.680 1.00 0.00 H new ATOM 987 N LEU A 70 -12.158 4.704 -21.115 1.00 0.00 N ATOM 988 CA LEU A 70 -13.267 4.539 -22.002 1.00 0.00 C ATOM 989 C LEU A 70 -14.067 3.354 -21.563 1.00 0.00 C ATOM 990 O LEU A 70 -13.549 2.437 -20.910 1.00 0.00 O ATOM 991 CB LEU A 70 -12.802 4.312 -23.420 1.00 0.00 C ATOM 992 CG LEU A 70 -12.110 5.478 -24.112 1.00 0.00 C ATOM 993 CD1 LEU A 70 -11.254 4.979 -25.260 1.00 0.00 C ATOM 994 CD2 LEU A 70 -13.128 6.461 -24.654 1.00 0.00 C ATOM 0 H LEU A 70 -11.264 4.408 -21.507 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.869 5.447 -21.974 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.119 3.463 -23.421 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.667 4.026 -24.019 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.482 5.977 -23.374 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.766 5.825 -25.744 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.497 4.293 -24.878 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.882 4.460 -25.983 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.612 7.286 -25.144 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.773 5.957 -25.374 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.733 6.848 -23.834 1.00 0.00 H new ATOM 1006 N THR A 71 -15.262 3.317 -21.992 1.00 0.00 N ATOM 1007 CA THR A 71 -16.209 2.273 -21.610 1.00 0.00 C ATOM 1008 C THR A 71 -15.866 0.963 -22.310 1.00 0.00 C ATOM 1009 O THR A 71 -16.270 -0.132 -21.896 1.00 0.00 O ATOM 1010 CB THR A 71 -17.635 2.699 -21.966 1.00 0.00 C ATOM 1011 OG1 THR A 71 -17.666 3.155 -23.326 1.00 0.00 O ATOM 1012 CG2 THR A 71 -18.107 3.804 -21.047 1.00 0.00 C ATOM 0 H THR A 71 -15.649 4.010 -22.633 1.00 0.00 H new ATOM 0 HA THR A 71 -16.143 2.122 -20.533 1.00 0.00 H new ATOM 0 HB THR A 71 -18.300 1.844 -21.846 1.00 0.00 H new ATOM 0 HG1 THR A 71 -18.596 3.276 -23.609 1.00 0.00 H new ATOM 0 HG21 THR A 71 -19.123 4.093 -21.317 1.00 0.00 H new ATOM 0 HG22 THR A 71 -18.092 3.451 -20.016 1.00 0.00 H new ATOM 0 HG23 THR A 71 -17.447 4.666 -21.145 1.00 0.00 H new ATOM 1020 N ASN A 72 -15.070 1.098 -23.349 1.00 0.00 N ATOM 1021 CA ASN A 72 -14.604 -0.016 -24.150 1.00 0.00 C ATOM 1022 C ASN A 72 -13.499 -0.762 -23.416 1.00 0.00 C ATOM 1023 O ASN A 72 -13.091 -1.854 -23.818 1.00 0.00 O ATOM 1024 CB ASN A 72 -14.071 0.492 -25.494 1.00 0.00 C ATOM 1025 CG ASN A 72 -15.102 1.269 -26.306 1.00 0.00 C ATOM 1026 OD1 ASN A 72 -16.305 1.022 -26.228 1.00 0.00 O ATOM 1027 ND2 ASN A 72 -14.641 2.213 -27.075 1.00 0.00 N ATOM 0 H ASN A 72 -14.721 2.002 -23.668 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.440 -0.694 -24.326 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.206 1.131 -25.314 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.723 -0.357 -26.082 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.283 2.773 -27.636 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.638 2.392 -27.117 1.00 0.00 H new ATOM 1034 N GLY A 73 -13.003 -0.157 -22.343 1.00 0.00 N ATOM 1035 CA GLY A 73 -11.970 -0.768 -21.549 1.00 0.00 C ATOM 1036 C GLY A 73 -10.622 -0.237 -21.913 1.00 0.00 C ATOM 1037 O GLY A 73 -9.597 -0.756 -21.469 1.00 0.00 O ATOM 0 H GLY A 73 -13.307 0.758 -22.011 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.163 -0.583 -20.492 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.989 -1.848 -21.692 1.00 0.00 H new ATOM 1041 N LYS A 74 -10.612 0.813 -22.697 1.00 0.00 N ATOM 1042 CA LYS A 74 -9.391 1.384 -23.170 1.00 0.00 C ATOM 1043 C LYS A 74 -9.163 2.693 -22.484 1.00 0.00 C ATOM 1044 O LYS A 74 -10.109 3.354 -22.106 1.00 0.00 O ATOM 1045 CB LYS A 74 -9.457 1.579 -24.683 1.00 0.00 C ATOM 1046 CG LYS A 74 -9.684 0.298 -25.473 1.00 0.00 C ATOM 1047 CD LYS A 74 -8.557 -0.708 -25.284 1.00 0.00 C ATOM 1048 CE LYS A 74 -8.862 -2.026 -25.985 1.00 0.00 C ATOM 1049 NZ LYS A 74 -9.048 -1.867 -27.446 1.00 0.00 N1+ ATOM 0 H LYS A 74 -11.453 1.290 -23.021 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.562 0.713 -22.946 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.260 2.280 -24.912 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.527 2.039 -25.019 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.626 -0.154 -25.164 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.778 0.539 -26.532 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.628 -0.293 -25.675 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.403 -0.888 -24.220 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.048 -2.728 -25.801 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.763 -2.462 -25.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.118 -2.804 -27.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.920 -1.331 -27.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.237 -1.354 -27.845 1.00 0.00 H new ATOM 1063 N GLN A 75 -7.939 3.052 -22.303 1.00 0.00 N ATOM 1064 CA GLN A 75 -7.609 4.286 -21.679 1.00 0.00 C ATOM 1065 C GLN A 75 -7.917 5.417 -22.642 1.00 0.00 C ATOM 1066 O GLN A 75 -7.709 5.293 -23.853 1.00 0.00 O ATOM 1067 CB GLN A 75 -6.135 4.310 -21.267 1.00 0.00 C ATOM 1068 CG GLN A 75 -5.755 5.549 -20.479 1.00 0.00 C ATOM 1069 CD GLN A 75 -4.301 5.591 -20.085 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -3.429 5.068 -20.781 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -4.022 6.219 -18.977 1.00 0.00 N ATOM 0 H GLN A 75 -7.134 2.494 -22.586 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.203 4.406 -20.773 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -5.917 3.426 -20.668 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -5.514 4.251 -22.161 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -5.987 6.433 -21.073 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -6.368 5.599 -19.579 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.771 6.640 -18.427 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.055 6.290 -18.660 1.00 0.00 H new ATOM 1080 N ALA A 76 -8.444 6.469 -22.118 1.00 0.00 N ATOM 1081 CA ALA A 76 -8.773 7.621 -22.884 1.00 0.00 C ATOM 1082 C ALA A 76 -7.487 8.345 -23.303 1.00 0.00 C ATOM 1083 O ALA A 76 -6.426 8.136 -22.683 1.00 0.00 O ATOM 1084 CB ALA A 76 -9.663 8.520 -22.059 1.00 0.00 C ATOM 0 H ALA A 76 -8.663 6.554 -21.125 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.309 7.334 -23.789 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.921 9.407 -22.638 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.573 7.984 -21.791 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.138 8.819 -21.152 1.00 0.00 H new ATOM 1090 N PRO A 77 -7.556 9.163 -24.374 1.00 0.00 N ATOM 1091 CA PRO A 77 -6.409 9.933 -24.892 1.00 0.00 C ATOM 1092 C PRO A 77 -5.675 10.706 -23.801 1.00 0.00 C ATOM 1093 O PRO A 77 -6.295 11.215 -22.863 1.00 0.00 O ATOM 1094 CB PRO A 77 -7.058 10.921 -25.856 1.00 0.00 C ATOM 1095 CG PRO A 77 -8.309 10.267 -26.304 1.00 0.00 C ATOM 1096 CD PRO A 77 -8.767 9.395 -25.173 1.00 0.00 C ATOM 0 HA PRO A 77 -5.662 9.278 -25.341 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.266 11.871 -25.364 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.402 11.135 -26.700 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -9.067 11.010 -26.552 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.136 9.676 -27.203 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.543 9.884 -24.584 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.187 8.458 -25.539 1.00 0.00 H new ATOM 1104 N ASP A 78 -4.372 10.805 -23.947 1.00 0.00 N ATOM 1105 CA ASP A 78 -3.517 11.497 -22.977 1.00 0.00 C ATOM 1106 C ASP A 78 -3.875 12.980 -22.880 1.00 0.00 C ATOM 1107 O ASP A 78 -3.821 13.584 -21.807 1.00 0.00 O ATOM 1108 CB ASP A 78 -2.039 11.315 -23.347 1.00 0.00 C ATOM 1109 CG ASP A 78 -1.102 12.089 -22.449 1.00 0.00 C ATOM 1110 OD1 ASP A 78 -0.798 11.613 -21.328 1.00 0.00 O ATOM 1111 OD2 ASP A 78 -0.643 13.177 -22.843 1.00 0.00 O1- ATOM 0 H ASP A 78 -3.864 10.411 -24.739 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.688 11.053 -21.996 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.787 10.256 -23.298 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.888 11.632 -24.379 1.00 0.00 H new ATOM 1116 N TRP A 79 -4.277 13.541 -23.994 1.00 0.00 N ATOM 1117 CA TRP A 79 -4.672 14.934 -24.060 1.00 0.00 C ATOM 1118 C TRP A 79 -6.077 15.161 -23.496 1.00 0.00 C ATOM 1119 O TRP A 79 -6.472 16.286 -23.251 1.00 0.00 O ATOM 1120 CB TRP A 79 -4.552 15.469 -25.495 1.00 0.00 C ATOM 1121 CG TRP A 79 -5.296 14.678 -26.514 1.00 0.00 C ATOM 1122 CD1 TRP A 79 -4.793 13.689 -27.274 1.00 0.00 C ATOM 1123 CD2 TRP A 79 -6.669 14.814 -26.888 1.00 0.00 C ATOM 1124 NE1 TRP A 79 -5.762 13.186 -28.097 1.00 0.00 N ATOM 1125 CE2 TRP A 79 -6.923 13.863 -27.881 1.00 0.00 C ATOM 1126 CE3 TRP A 79 -7.707 15.647 -26.474 1.00 0.00 C ATOM 1127 CZ2 TRP A 79 -8.169 13.716 -28.470 1.00 0.00 C ATOM 1128 CZ3 TRP A 79 -8.938 15.502 -27.058 1.00 0.00 C ATOM 1129 CH2 TRP A 79 -9.162 14.544 -28.048 1.00 0.00 C ATOM 0 H TRP A 79 -4.341 13.047 -24.884 1.00 0.00 H new ATOM 0 HA TRP A 79 -3.984 15.497 -23.429 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -4.913 16.497 -25.517 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -3.498 15.495 -25.772 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -3.771 13.342 -27.239 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -5.635 12.426 -28.765 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.544 16.391 -25.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -8.344 12.973 -29.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -9.751 16.141 -26.746 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.144 14.458 -28.488 1.00 0.00 H new ATOM 1140 N LEU A 80 -6.827 14.103 -23.297 1.00 0.00 N ATOM 1141 CA LEU A 80 -8.136 14.238 -22.724 1.00 0.00 C ATOM 1142 C LEU A 80 -7.963 14.209 -21.233 1.00 0.00 C ATOM 1143 O LEU A 80 -7.756 13.153 -20.648 1.00 0.00 O ATOM 1144 CB LEU A 80 -9.080 13.120 -23.191 1.00 0.00 C ATOM 1145 CG LEU A 80 -10.515 13.202 -22.655 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -11.164 14.518 -23.047 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -11.347 12.033 -23.153 1.00 0.00 C ATOM 0 H LEU A 80 -6.552 13.147 -23.523 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.595 15.173 -23.046 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.116 13.130 -24.280 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.654 12.161 -22.895 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.469 13.152 -21.567 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -12.181 14.553 -22.656 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.587 15.345 -22.634 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -11.190 14.601 -24.133 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.360 12.114 -22.759 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.379 12.047 -24.242 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.900 11.098 -22.815 1.00 0.00 H new ATOM 1159 N ALA A 81 -8.002 15.354 -20.631 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.672 15.461 -19.239 1.00 0.00 C ATOM 1161 C ALA A 81 -8.902 15.565 -18.399 1.00 0.00 C ATOM 1162 O ALA A 81 -9.826 16.285 -18.743 1.00 0.00 O ATOM 1163 CB ALA A 81 -6.761 16.650 -19.004 1.00 0.00 C ATOM 0 H ALA A 81 -8.259 16.233 -21.080 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.145 14.554 -18.945 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.519 16.719 -17.943 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.843 16.524 -19.578 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.265 17.563 -19.321 1.00 0.00 H new ATOM 1169 N ALA A 82 -8.915 14.844 -17.314 1.00 0.00 N ATOM 1170 CA ALA A 82 -10.007 14.870 -16.380 1.00 0.00 C ATOM 1171 C ALA A 82 -9.460 15.043 -14.977 1.00 0.00 C ATOM 1172 O ALA A 82 -8.568 14.303 -14.553 1.00 0.00 O ATOM 1173 CB ALA A 82 -10.817 13.587 -16.476 1.00 0.00 C ATOM 0 H ALA A 82 -8.158 14.213 -17.049 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.664 15.706 -16.618 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.640 13.622 -15.762 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.216 13.483 -17.485 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.177 12.735 -16.249 1.00 0.00 H new ATOM 1179 N GLU A 83 -9.988 15.991 -14.261 1.00 0.00 N ATOM 1180 CA GLU A 83 -9.542 16.270 -12.922 1.00 0.00 C ATOM 1181 C GLU A 83 -10.709 16.260 -11.939 1.00 0.00 C ATOM 1182 O GLU A 83 -11.793 16.784 -12.250 1.00 0.00 O ATOM 1183 CB GLU A 83 -8.744 17.581 -12.869 1.00 0.00 C ATOM 1184 CG GLU A 83 -9.432 18.764 -13.526 1.00 0.00 C ATOM 1185 CD GLU A 83 -8.573 20.007 -13.531 1.00 0.00 C ATOM 1186 OE1 GLU A 83 -7.369 19.916 -13.870 1.00 0.00 O1- ATOM 1187 OE2 GLU A 83 -9.075 21.105 -13.201 1.00 0.00 O ATOM 0 H GLU A 83 -10.742 16.596 -14.587 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.865 15.473 -12.615 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.543 17.827 -11.826 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.779 17.424 -13.351 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.694 18.504 -14.552 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.365 18.974 -13.003 1.00 0.00 H new ATOM 1194 N PRO A 84 -10.518 15.591 -10.784 1.00 0.00 N ATOM 1195 CA PRO A 84 -11.528 15.467 -9.734 1.00 0.00 C ATOM 1196 C PRO A 84 -12.017 16.811 -9.191 1.00 0.00 C ATOM 1197 O PRO A 84 -11.230 17.648 -8.686 1.00 0.00 O ATOM 1198 CB PRO A 84 -10.821 14.637 -8.653 1.00 0.00 C ATOM 1199 CG PRO A 84 -9.381 14.703 -8.977 1.00 0.00 C ATOM 1200 CD PRO A 84 -9.304 14.841 -10.438 1.00 0.00 C ATOM 0 HA PRO A 84 -12.441 15.003 -10.108 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.018 15.039 -7.659 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -11.176 13.607 -8.656 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.907 15.549 -8.479 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.863 13.804 -8.642 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.404 15.375 -10.742 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -9.280 13.869 -10.931 1.00 0.00 H new ATOM 1208 N TYR A 85 -13.298 17.001 -9.293 1.00 0.00 N ATOM 1209 CA TYR A 85 -13.953 18.203 -8.912 1.00 0.00 C ATOM 1210 C TYR A 85 -14.849 17.931 -7.701 1.00 0.00 C ATOM 1211 O TYR A 85 -15.903 17.282 -7.849 1.00 0.00 O ATOM 1212 CB TYR A 85 -14.750 18.745 -10.103 1.00 0.00 C ATOM 1213 CG TYR A 85 -15.474 20.071 -9.893 1.00 0.00 C ATOM 1214 CD1 TYR A 85 -14.788 21.281 -9.912 1.00 0.00 C ATOM 1215 CD2 TYR A 85 -16.851 20.111 -9.722 1.00 0.00 C ATOM 1216 CE1 TYR A 85 -15.460 22.486 -9.761 1.00 0.00 C ATOM 1217 CE2 TYR A 85 -17.522 21.300 -9.566 1.00 0.00 C ATOM 1218 CZ TYR A 85 -16.831 22.484 -9.586 1.00 0.00 C ATOM 1219 OH TYR A 85 -17.520 23.675 -9.445 1.00 0.00 O ATOM 1220 OXT TYR A 85 -14.500 18.368 -6.575 1.00 0.00 O1- ATOM 0 H TYR A 85 -13.934 16.292 -9.658 1.00 0.00 H new ATOM 0 HA TYR A 85 -13.224 18.961 -8.624 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -14.068 18.859 -10.946 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -15.488 17.995 -10.389 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -13.716 21.283 -10.046 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.408 19.186 -9.711 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.916 23.419 -9.780 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -18.593 21.302 -9.428 1.00 0.00 H new ATOM 0 HH TYR A 85 -18.476 23.489 -9.332 1.00 0.00 H new