USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 498 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 27 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.219 X(o=-0.22,f=0) USER MOD Single : A 35 THR OG1 : rot -175:sc= -0.906 USER MOD Single : A 40 MET CE :methyl -162:sc= -0.127 (180deg=-0.6) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -50:sc= 0.0565 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0333 USER MOD Single : A 49 THR OG1 : rot -84:sc= 1.23 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.22 X(o=-0.22,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 169:sc= -0.0937 (180deg=-0.475) USER MOD Single : A 64 GLN : amide:sc= -0.739 K(o=-0.74,f=0) USER MOD Single : A 65 ASN : amide:sc=-0.00185 X(o=-0.0018,f=0.18) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 177:sc= -0.477 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0408) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N ALA A 22 -15.349 14.886 -4.537 1.00 0.00 N ATOM 225 CA ALA A 22 -15.328 15.041 -5.959 1.00 0.00 C ATOM 226 C ALA A 22 -16.509 14.307 -6.506 1.00 0.00 C ATOM 227 O ALA A 22 -16.645 13.097 -6.295 1.00 0.00 O ATOM 228 CB ALA A 22 -14.044 14.482 -6.547 1.00 0.00 C ATOM 0 HA ALA A 22 -15.372 16.098 -6.222 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.053 14.612 -7.629 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.190 15.011 -6.125 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.967 13.421 -6.310 1.00 0.00 H new ATOM 234 N ARG A 23 -17.382 15.019 -7.153 1.00 0.00 N ATOM 235 CA ARG A 23 -18.574 14.415 -7.679 1.00 0.00 C ATOM 236 C ARG A 23 -18.623 14.557 -9.173 1.00 0.00 C ATOM 237 O ARG A 23 -19.538 14.048 -9.836 1.00 0.00 O ATOM 238 CB ARG A 23 -19.838 14.967 -7.031 1.00 0.00 C ATOM 239 CG ARG A 23 -19.859 14.824 -5.520 1.00 0.00 C ATOM 240 CD ARG A 23 -21.261 14.928 -4.973 1.00 0.00 C ATOM 241 NE ARG A 23 -22.086 13.786 -5.416 1.00 0.00 N ATOM 242 CZ ARG A 23 -23.335 13.523 -5.006 1.00 0.00 C ATOM 243 NH1 ARG A 23 -23.953 14.347 -4.163 1.00 0.00 N1+ ATOM 244 NH2 ARG A 23 -23.956 12.437 -5.443 1.00 0.00 N ATOM 0 H ARG A 23 -17.293 16.020 -7.331 1.00 0.00 H new ATOM 0 HA ARG A 23 -18.535 13.354 -7.433 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -19.938 16.021 -7.289 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -20.704 14.453 -7.448 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -19.428 13.863 -5.239 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -19.234 15.597 -5.072 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -21.229 14.958 -3.884 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -21.717 15.861 -5.304 1.00 0.00 H new ATOM 0 HE ARG A 23 -21.671 13.143 -6.091 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -23.476 15.183 -3.826 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -24.903 14.142 -3.854 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -23.484 11.805 -6.089 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -24.906 12.233 -5.133 1.00 0.00 H new ATOM 258 N PHE A 24 -17.648 15.236 -9.707 1.00 0.00 N ATOM 259 CA PHE A 24 -17.501 15.377 -11.121 1.00 0.00 C ATOM 260 C PHE A 24 -16.052 15.244 -11.479 1.00 0.00 C ATOM 261 O PHE A 24 -15.179 15.329 -10.627 1.00 0.00 O ATOM 262 CB PHE A 24 -17.994 16.739 -11.651 1.00 0.00 C ATOM 263 CG PHE A 24 -19.468 16.992 -11.616 1.00 0.00 C ATOM 264 CD1 PHE A 24 -20.261 16.621 -12.684 1.00 0.00 C ATOM 265 CD2 PHE A 24 -20.056 17.633 -10.540 1.00 0.00 C ATOM 266 CE1 PHE A 24 -21.611 16.882 -12.685 1.00 0.00 C ATOM 267 CE2 PHE A 24 -21.406 17.894 -10.532 1.00 0.00 C ATOM 268 CZ PHE A 24 -22.184 17.517 -11.610 1.00 0.00 C ATOM 0 H PHE A 24 -16.927 15.711 -9.164 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.111 14.598 -11.577 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -17.503 17.524 -11.076 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -17.658 16.842 -12.683 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -19.815 16.119 -13.530 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -19.449 17.931 -9.698 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -22.219 16.589 -13.528 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -21.857 18.392 -9.686 1.00 0.00 H new ATOM 0 HZ PHE A 24 -23.244 17.722 -11.607 1.00 0.00 H new ATOM 278 N CYS A 25 -15.811 14.993 -12.709 1.00 0.00 N ATOM 279 CA CYS A 25 -14.504 15.046 -13.256 1.00 0.00 C ATOM 280 C CYS A 25 -14.546 16.048 -14.381 1.00 0.00 C ATOM 281 O CYS A 25 -15.489 16.040 -15.189 1.00 0.00 O ATOM 282 CB CYS A 25 -14.084 13.689 -13.790 1.00 0.00 C ATOM 283 SG CYS A 25 -13.996 12.369 -12.549 1.00 0.00 S ATOM 0 H CYS A 25 -16.533 14.738 -13.383 1.00 0.00 H new ATOM 0 HA CYS A 25 -13.782 15.332 -12.491 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -14.786 13.389 -14.568 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -13.107 13.788 -14.263 1.00 0.00 H new ATOM 288 N VAL A 26 -13.591 16.916 -14.415 1.00 0.00 N ATOM 289 CA VAL A 26 -13.525 17.950 -15.414 1.00 0.00 C ATOM 290 C VAL A 26 -12.638 17.471 -16.533 1.00 0.00 C ATOM 291 O VAL A 26 -11.500 17.077 -16.289 1.00 0.00 O ATOM 292 CB VAL A 26 -12.894 19.239 -14.845 1.00 0.00 C ATOM 293 CG1 VAL A 26 -13.186 20.403 -15.735 1.00 0.00 C ATOM 294 CG2 VAL A 26 -13.329 19.518 -13.426 1.00 0.00 C ATOM 0 H VAL A 26 -12.822 16.935 -13.746 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.538 18.164 -15.754 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.816 19.083 -14.815 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.733 21.303 -15.318 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.774 20.215 -16.726 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.265 20.541 -15.811 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.857 20.435 -13.074 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.412 19.632 -13.393 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.032 18.688 -12.785 1.00 0.00 H new ATOM 304 N TYR A 27 -13.156 17.467 -17.728 1.00 0.00 N ATOM 305 CA TYR A 27 -12.386 17.080 -18.879 1.00 0.00 C ATOM 306 C TYR A 27 -11.957 18.282 -19.663 1.00 0.00 C ATOM 307 O TYR A 27 -12.737 19.239 -19.852 1.00 0.00 O ATOM 308 CB TYR A 27 -13.141 16.103 -19.778 1.00 0.00 C ATOM 309 CG TYR A 27 -13.293 14.726 -19.185 1.00 0.00 C ATOM 310 CD1 TYR A 27 -14.187 14.474 -18.152 1.00 0.00 C ATOM 311 CD2 TYR A 27 -12.532 13.676 -19.659 1.00 0.00 C ATOM 312 CE1 TYR A 27 -14.308 13.212 -17.612 1.00 0.00 C ATOM 313 CE2 TYR A 27 -12.653 12.417 -19.128 1.00 0.00 C ATOM 314 CZ TYR A 27 -13.539 12.188 -18.104 1.00 0.00 C ATOM 315 OH TYR A 27 -13.651 10.927 -17.567 1.00 0.00 O ATOM 0 H TYR A 27 -14.120 17.730 -17.933 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.500 16.565 -18.508 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -14.130 16.509 -19.990 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.619 16.023 -20.731 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.796 15.279 -17.767 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.830 13.849 -20.461 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.004 13.030 -16.806 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.052 11.607 -19.515 1.00 0.00 H new ATOM 0 HH TYR A 27 -14.563 10.793 -17.234 1.00 0.00 H new ATOM 325 N TYR A 28 -10.735 18.254 -20.100 1.00 0.00 N ATOM 326 CA TYR A 28 -10.172 19.315 -20.879 1.00 0.00 C ATOM 327 C TYR A 28 -9.478 18.740 -22.092 1.00 0.00 C ATOM 328 O TYR A 28 -8.997 17.601 -22.066 1.00 0.00 O ATOM 329 CB TYR A 28 -9.122 20.101 -20.094 1.00 0.00 C ATOM 330 CG TYR A 28 -9.555 20.761 -18.811 1.00 0.00 C ATOM 331 CD1 TYR A 28 -10.090 22.040 -18.808 1.00 0.00 C ATOM 332 CD2 TYR A 28 -9.365 20.128 -17.594 1.00 0.00 C ATOM 333 CE1 TYR A 28 -10.422 22.669 -17.626 1.00 0.00 C ATOM 334 CE2 TYR A 28 -9.705 20.741 -16.415 1.00 0.00 C ATOM 335 CZ TYR A 28 -10.230 22.011 -16.433 1.00 0.00 C ATOM 336 OH TYR A 28 -10.539 22.638 -15.243 1.00 0.00 O ATOM 0 H TYR A 28 -10.091 17.483 -19.923 1.00 0.00 H new ATOM 0 HA TYR A 28 -10.992 19.977 -21.157 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.300 19.423 -19.862 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.722 20.874 -20.750 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -10.249 22.552 -19.746 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.942 19.135 -17.573 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -10.829 23.669 -17.637 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.561 20.228 -15.476 1.00 0.00 H new ATOM 0 HH TYR A 28 -10.345 22.035 -14.495 1.00 0.00 H new ATOM 346 N ASP A 29 -9.444 19.519 -23.135 1.00 0.00 N ATOM 347 CA ASP A 29 -8.705 19.200 -24.339 1.00 0.00 C ATOM 348 C ASP A 29 -7.392 19.931 -24.226 1.00 0.00 C ATOM 349 O ASP A 29 -7.365 21.177 -24.271 1.00 0.00 O ATOM 350 CB ASP A 29 -9.446 19.728 -25.579 1.00 0.00 C ATOM 351 CG ASP A 29 -8.829 19.313 -26.929 1.00 0.00 C ATOM 352 OD1 ASP A 29 -7.598 19.179 -27.049 1.00 0.00 O ATOM 353 OD2 ASP A 29 -9.585 19.182 -27.920 1.00 0.00 O1- ATOM 0 H ASP A 29 -9.936 20.412 -23.181 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.581 18.122 -24.442 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.478 19.378 -25.544 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.477 20.816 -25.530 1.00 0.00 H new ATOM 358 N GLY A 30 -6.338 19.223 -24.025 1.00 0.00 N ATOM 359 CA GLY A 30 -5.067 19.859 -23.920 1.00 0.00 C ATOM 360 C GLY A 30 -4.222 19.255 -22.844 1.00 0.00 C ATOM 361 O GLY A 30 -4.736 18.706 -21.863 1.00 0.00 O ATOM 0 H GLY A 30 -6.326 18.208 -23.930 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.545 19.785 -24.874 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.209 20.920 -23.716 1.00 0.00 H new ATOM 365 N HIS A 31 -2.938 19.371 -23.007 1.00 0.00 N ATOM 366 CA HIS A 31 -1.982 18.796 -22.079 1.00 0.00 C ATOM 367 C HIS A 31 -1.236 19.903 -21.348 1.00 0.00 C ATOM 368 O HIS A 31 -0.381 19.646 -20.495 1.00 0.00 O ATOM 369 CB HIS A 31 -0.978 17.879 -22.821 1.00 0.00 C ATOM 370 CG HIS A 31 -0.088 18.591 -23.811 1.00 0.00 C ATOM 371 ND1 HIS A 31 1.266 18.782 -23.636 1.00 0.00 N ATOM 372 CD2 HIS A 31 -0.391 19.155 -24.999 1.00 0.00 C ATOM 373 CE1 HIS A 31 1.728 19.445 -24.696 1.00 0.00 C ATOM 374 NE2 HIS A 31 0.757 19.698 -25.558 1.00 0.00 N ATOM 0 H HIS A 31 -2.511 19.868 -23.789 1.00 0.00 H new ATOM 0 HA HIS A 31 -2.527 18.192 -21.354 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.351 17.378 -22.084 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -1.535 17.103 -23.346 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.374 19.180 -25.445 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.759 19.737 -24.833 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.836 20.190 -26.448 1.00 0.00 H new ATOM 382 N LEU A 32 -1.556 21.128 -21.689 1.00 0.00 N ATOM 383 CA LEU A 32 -0.899 22.249 -21.120 1.00 0.00 C ATOM 384 C LEU A 32 -1.864 22.901 -20.141 1.00 0.00 C ATOM 385 O LEU A 32 -2.994 23.229 -20.513 1.00 0.00 O ATOM 386 CB LEU A 32 -0.486 23.229 -22.230 1.00 0.00 C ATOM 387 CG LEU A 32 0.474 24.338 -21.820 1.00 0.00 C ATOM 388 CD1 LEU A 32 1.833 23.757 -21.452 1.00 0.00 C ATOM 389 CD2 LEU A 32 0.623 25.365 -22.929 1.00 0.00 C ATOM 0 H LEU A 32 -2.280 21.361 -22.369 1.00 0.00 H new ATOM 0 HA LEU A 32 0.008 21.947 -20.595 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.027 22.659 -23.038 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.388 23.688 -22.636 1.00 0.00 H new ATOM 0 HG LEU A 32 0.058 24.838 -20.945 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.507 24.563 -21.162 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.718 23.062 -20.620 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.248 23.229 -22.311 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.314 26.146 -22.611 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.011 24.880 -23.824 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.349 25.807 -23.148 1.00 0.00 H new ATOM 401 N PRO A 33 -1.431 23.127 -18.889 1.00 0.00 N ATOM 402 CA PRO A 33 -2.300 23.634 -17.810 1.00 0.00 C ATOM 403 C PRO A 33 -2.813 25.053 -18.041 1.00 0.00 C ATOM 404 O PRO A 33 -3.714 25.510 -17.339 1.00 0.00 O ATOM 405 CB PRO A 33 -1.399 23.595 -16.574 1.00 0.00 C ATOM 406 CG PRO A 33 -0.013 23.636 -17.108 1.00 0.00 C ATOM 407 CD PRO A 33 -0.054 22.899 -18.408 1.00 0.00 C ATOM 0 HA PRO A 33 -3.205 23.032 -17.730 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.594 24.442 -15.916 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.570 22.691 -15.989 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.320 24.664 -17.252 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.687 23.168 -16.415 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.686 23.283 -19.111 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.154 21.837 -18.275 1.00 0.00 H new ATOM 415 N ALA A 34 -2.247 25.738 -19.011 1.00 0.00 N ATOM 416 CA ALA A 34 -2.646 27.097 -19.309 1.00 0.00 C ATOM 417 C ALA A 34 -3.697 27.177 -20.419 1.00 0.00 C ATOM 418 O ALA A 34 -4.660 27.907 -20.306 1.00 0.00 O ATOM 419 CB ALA A 34 -1.440 27.932 -19.676 1.00 0.00 C ATOM 0 H ALA A 34 -1.505 25.374 -19.609 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.105 27.494 -18.404 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.757 28.951 -19.897 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.738 27.943 -18.842 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.955 27.504 -20.553 1.00 0.00 H new ATOM 425 N THR A 35 -3.524 26.414 -21.469 1.00 0.00 N ATOM 426 CA THR A 35 -4.373 26.542 -22.644 1.00 0.00 C ATOM 427 C THR A 35 -5.370 25.393 -22.799 1.00 0.00 C ATOM 428 O THR A 35 -6.007 25.254 -23.852 1.00 0.00 O ATOM 429 CB THR A 35 -3.488 26.600 -23.883 1.00 0.00 C ATOM 430 OG1 THR A 35 -2.508 25.552 -23.785 1.00 0.00 O ATOM 431 CG2 THR A 35 -2.788 27.948 -23.996 1.00 0.00 C ATOM 0 H THR A 35 -2.804 25.695 -21.542 1.00 0.00 H new ATOM 0 HA THR A 35 -4.956 27.455 -22.522 1.00 0.00 H new ATOM 0 HB THR A 35 -4.105 26.470 -24.772 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.880 25.621 -24.534 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.164 27.960 -24.889 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.533 28.740 -24.064 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.165 28.110 -23.116 1.00 0.00 H new ATOM 439 N ARG A 36 -5.525 24.591 -21.765 1.00 0.00 N ATOM 440 CA ARG A 36 -6.400 23.438 -21.837 1.00 0.00 C ATOM 441 C ARG A 36 -7.876 23.877 -21.990 1.00 0.00 C ATOM 442 O ARG A 36 -8.360 24.728 -21.252 1.00 0.00 O ATOM 443 CB ARG A 36 -6.150 22.460 -20.646 1.00 0.00 C ATOM 444 CG ARG A 36 -6.706 22.807 -19.226 1.00 0.00 C ATOM 445 CD ARG A 36 -6.217 24.130 -18.607 1.00 0.00 C ATOM 446 NE ARG A 36 -6.961 25.296 -19.103 1.00 0.00 N ATOM 447 CZ ARG A 36 -6.913 26.545 -18.612 1.00 0.00 C ATOM 448 NH1 ARG A 36 -6.042 26.877 -17.666 1.00 0.00 N1+ ATOM 449 NH2 ARG A 36 -7.716 27.468 -19.105 1.00 0.00 N ATOM 0 H ARG A 36 -5.058 24.716 -20.867 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.161 22.868 -22.735 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.562 21.491 -20.929 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.072 22.332 -20.551 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.794 22.837 -19.282 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.444 21.995 -18.548 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.313 24.077 -17.523 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.157 24.260 -18.827 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.577 25.141 -19.901 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.395 26.178 -17.300 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.020 27.831 -17.305 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.367 27.231 -19.853 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.686 28.419 -18.738 1.00 0.00 H new ATOM 463 N VAL A 37 -8.565 23.332 -22.957 1.00 0.00 N ATOM 464 CA VAL A 37 -9.919 23.772 -23.249 1.00 0.00 C ATOM 465 C VAL A 37 -10.906 22.972 -22.435 1.00 0.00 C ATOM 466 O VAL A 37 -10.879 21.755 -22.465 1.00 0.00 O ATOM 467 CB VAL A 37 -10.254 23.623 -24.761 1.00 0.00 C ATOM 468 CG1 VAL A 37 -11.664 24.115 -25.070 1.00 0.00 C ATOM 469 CG2 VAL A 37 -9.233 24.358 -25.618 1.00 0.00 C ATOM 0 H VAL A 37 -8.220 22.584 -23.559 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.990 24.827 -22.986 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.209 22.561 -25.004 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.865 23.997 -26.135 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.386 23.533 -24.497 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.750 25.167 -24.799 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.489 24.239 -26.671 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.237 25.417 -25.361 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.241 23.945 -25.437 1.00 0.00 H new ATOM 479 N LEU A 38 -11.741 23.658 -21.696 1.00 0.00 N ATOM 480 CA LEU A 38 -12.758 23.027 -20.880 1.00 0.00 C ATOM 481 C LEU A 38 -13.764 22.329 -21.795 1.00 0.00 C ATOM 482 O LEU A 38 -14.354 22.958 -22.674 1.00 0.00 O ATOM 483 CB LEU A 38 -13.431 24.113 -19.974 1.00 0.00 C ATOM 484 CG LEU A 38 -14.550 23.701 -18.967 1.00 0.00 C ATOM 485 CD1 LEU A 38 -15.878 23.392 -19.640 1.00 0.00 C ATOM 486 CD2 LEU A 38 -14.111 22.530 -18.135 1.00 0.00 C ATOM 0 H LEU A 38 -11.738 24.676 -21.640 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.325 22.272 -20.224 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.639 24.594 -19.400 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.851 24.872 -20.634 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.713 24.566 -18.324 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.612 23.112 -18.885 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.228 24.274 -20.177 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.747 22.568 -20.341 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.906 22.259 -17.440 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.893 21.683 -18.785 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.215 22.797 -17.575 1.00 0.00 H new ATOM 498 N LEU A 39 -13.928 21.045 -21.609 1.00 0.00 N ATOM 499 CA LEU A 39 -14.860 20.299 -22.407 1.00 0.00 C ATOM 500 C LEU A 39 -16.167 20.089 -21.667 1.00 0.00 C ATOM 501 O LEU A 39 -17.213 20.557 -22.126 1.00 0.00 O ATOM 502 CB LEU A 39 -14.263 18.966 -22.872 1.00 0.00 C ATOM 503 CG LEU A 39 -13.044 19.063 -23.800 1.00 0.00 C ATOM 504 CD1 LEU A 39 -12.541 17.679 -24.154 1.00 0.00 C ATOM 505 CD2 LEU A 39 -13.386 19.842 -25.065 1.00 0.00 C ATOM 0 H LEU A 39 -13.427 20.496 -20.911 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.073 20.888 -23.299 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.979 18.390 -21.991 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.041 18.401 -23.385 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.255 19.599 -23.272 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.676 17.763 -24.812 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.254 17.152 -23.244 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.330 17.124 -24.661 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.507 19.898 -25.707 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.192 19.337 -25.597 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.704 20.850 -24.797 1.00 0.00 H new ATOM 517 N MET A 40 -16.118 19.417 -20.508 1.00 0.00 N ATOM 518 CA MET A 40 -17.332 19.113 -19.744 1.00 0.00 C ATOM 519 C MET A 40 -17.015 18.438 -18.444 1.00 0.00 C ATOM 520 O MET A 40 -15.883 17.990 -18.215 1.00 0.00 O ATOM 521 CB MET A 40 -18.332 18.266 -20.554 1.00 0.00 C ATOM 522 CG MET A 40 -17.787 16.948 -21.030 1.00 0.00 C ATOM 523 SD MET A 40 -18.975 16.001 -22.011 1.00 0.00 S ATOM 524 CE MET A 40 -20.297 15.754 -20.824 1.00 0.00 C ATOM 0 H MET A 40 -15.256 19.076 -20.083 1.00 0.00 H new ATOM 0 HA MET A 40 -17.804 20.071 -19.527 1.00 0.00 H new ATOM 0 HB2 MET A 40 -19.213 18.080 -19.940 1.00 0.00 H new ATOM 0 HB3 MET A 40 -18.661 18.843 -21.418 1.00 0.00 H new ATOM 0 HG2 MET A 40 -16.892 17.126 -21.627 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.482 16.355 -20.168 1.00 0.00 H new ATOM 0 HE1 MET A 40 -20.939 14.939 -21.158 1.00 0.00 H new ATOM 0 HE2 MET A 40 -19.871 15.506 -19.852 1.00 0.00 H new ATOM 0 HE3 MET A 40 -20.886 16.668 -20.740 1.00 0.00 H new ATOM 534 N TYR A 41 -18.003 18.405 -17.599 1.00 0.00 N ATOM 535 CA TYR A 41 -17.948 17.788 -16.302 1.00 0.00 C ATOM 536 C TYR A 41 -18.762 16.503 -16.344 1.00 0.00 C ATOM 537 O TYR A 41 -19.871 16.486 -16.888 1.00 0.00 O ATOM 538 CB TYR A 41 -18.556 18.730 -15.251 1.00 0.00 C ATOM 539 CG TYR A 41 -17.846 20.063 -15.085 1.00 0.00 C ATOM 540 CD1 TYR A 41 -18.052 21.105 -15.985 1.00 0.00 C ATOM 541 CD2 TYR A 41 -16.979 20.281 -14.027 1.00 0.00 C ATOM 542 CE1 TYR A 41 -17.417 22.316 -15.834 1.00 0.00 C ATOM 543 CE2 TYR A 41 -16.343 21.496 -13.869 1.00 0.00 C ATOM 544 CZ TYR A 41 -16.565 22.507 -14.776 1.00 0.00 C ATOM 545 OH TYR A 41 -15.935 23.717 -14.618 1.00 0.00 O ATOM 0 H TYR A 41 -18.910 18.825 -17.802 1.00 0.00 H new ATOM 0 HA TYR A 41 -16.912 17.576 -16.039 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -19.596 18.922 -15.517 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -18.562 18.218 -14.289 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -18.724 20.960 -16.818 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -16.798 19.489 -13.315 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.588 23.111 -16.544 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -15.673 21.653 -13.036 1.00 0.00 H new ATOM 0 HH TYR A 41 -15.367 23.688 -13.820 1.00 0.00 H new ATOM 555 N VAL A 42 -18.214 15.441 -15.816 1.00 0.00 N ATOM 556 CA VAL A 42 -18.898 14.153 -15.785 1.00 0.00 C ATOM 557 C VAL A 42 -19.145 13.737 -14.341 1.00 0.00 C ATOM 558 O VAL A 42 -18.233 13.792 -13.532 1.00 0.00 O ATOM 559 CB VAL A 42 -18.067 13.057 -16.506 1.00 0.00 C ATOM 560 CG1 VAL A 42 -18.780 11.707 -16.475 1.00 0.00 C ATOM 561 CG2 VAL A 42 -17.780 13.471 -17.939 1.00 0.00 C ATOM 0 H VAL A 42 -17.285 15.432 -15.394 1.00 0.00 H new ATOM 0 HA VAL A 42 -19.849 14.261 -16.307 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.123 12.948 -15.973 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -18.172 10.962 -16.988 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.933 11.400 -15.440 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -19.745 11.794 -16.974 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.197 12.694 -18.432 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.720 13.613 -18.472 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.217 14.404 -17.942 1.00 0.00 H new ATOM 571 N ARG A 43 -20.372 13.341 -14.038 1.00 0.00 N ATOM 572 CA ARG A 43 -20.779 12.923 -12.700 1.00 0.00 C ATOM 573 C ARG A 43 -20.122 11.593 -12.308 1.00 0.00 C ATOM 574 O ARG A 43 -20.216 10.596 -13.047 1.00 0.00 O ATOM 575 CB ARG A 43 -22.320 12.780 -12.648 1.00 0.00 C ATOM 576 CG ARG A 43 -22.889 12.169 -11.358 1.00 0.00 C ATOM 577 CD ARG A 43 -22.736 13.087 -10.159 1.00 0.00 C ATOM 578 NE ARG A 43 -23.538 14.304 -10.299 1.00 0.00 N ATOM 579 CZ ARG A 43 -23.657 15.261 -9.376 1.00 0.00 C ATOM 580 NH1 ARG A 43 -23.032 15.150 -8.211 1.00 0.00 N1+ ATOM 581 NH2 ARG A 43 -24.408 16.325 -9.628 1.00 0.00 N ATOM 0 H ARG A 43 -21.126 13.299 -14.723 1.00 0.00 H new ATOM 0 HA ARG A 43 -20.453 13.684 -11.990 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -22.763 13.766 -12.787 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -22.638 12.166 -13.490 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -23.945 11.941 -11.504 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -22.384 11.225 -11.154 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -23.035 12.557 -9.255 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -21.686 13.355 -10.039 1.00 0.00 H new ATOM 0 HE ARG A 43 -24.048 14.431 -11.173 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -22.457 14.330 -8.017 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -23.127 15.884 -7.510 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -24.890 16.408 -10.523 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -24.503 17.060 -8.927 1.00 0.00 H new ATOM 595 N ILE A 44 -19.457 11.598 -11.170 1.00 0.00 N ATOM 596 CA ILE A 44 -18.878 10.389 -10.579 1.00 0.00 C ATOM 597 C ILE A 44 -19.976 9.367 -10.362 1.00 0.00 C ATOM 598 O ILE A 44 -20.940 9.611 -9.608 1.00 0.00 O ATOM 599 CB ILE A 44 -18.166 10.686 -9.221 1.00 0.00 C ATOM 600 CG1 ILE A 44 -16.939 11.571 -9.436 1.00 0.00 C ATOM 601 CG2 ILE A 44 -17.774 9.395 -8.494 1.00 0.00 C ATOM 602 CD1 ILE A 44 -15.802 10.900 -10.165 1.00 0.00 C ATOM 0 H ILE A 44 -19.297 12.442 -10.619 1.00 0.00 H new ATOM 0 HA ILE A 44 -18.127 10.003 -11.268 1.00 0.00 H new ATOM 0 HB ILE A 44 -18.876 11.220 -8.590 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -17.240 12.457 -9.995 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -16.580 11.913 -8.466 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -17.281 9.642 -7.554 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -18.668 8.806 -8.291 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -17.093 8.818 -9.119 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.975 11.601 -10.273 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.469 10.031 -9.598 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -16.139 10.582 -11.152 1.00 0.00 H new ATOM 614 N GLY A 45 -19.845 8.261 -11.029 1.00 0.00 N ATOM 615 CA GLY A 45 -20.826 7.230 -10.954 1.00 0.00 C ATOM 616 C GLY A 45 -21.608 7.099 -12.238 1.00 0.00 C ATOM 617 O GLY A 45 -22.492 6.265 -12.341 1.00 0.00 O ATOM 0 H GLY A 45 -19.055 8.051 -11.639 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -20.339 6.282 -10.728 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -21.511 7.440 -10.132 1.00 0.00 H new ATOM 621 N THR A 46 -21.318 7.930 -13.214 1.00 0.00 N ATOM 622 CA THR A 46 -22.019 7.850 -14.479 1.00 0.00 C ATOM 623 C THR A 46 -21.047 7.862 -15.632 1.00 0.00 C ATOM 624 O THR A 46 -19.862 8.204 -15.476 1.00 0.00 O ATOM 625 CB THR A 46 -23.040 9.015 -14.662 1.00 0.00 C ATOM 626 OG1 THR A 46 -22.370 10.278 -14.598 1.00 0.00 O ATOM 627 CG2 THR A 46 -24.135 8.977 -13.603 1.00 0.00 C ATOM 0 H THR A 46 -20.610 8.662 -13.160 1.00 0.00 H new ATOM 0 HA THR A 46 -22.569 6.909 -14.469 1.00 0.00 H new ATOM 0 HB THR A 46 -23.502 8.888 -15.641 1.00 0.00 H new ATOM 0 HG1 THR A 46 -21.806 10.309 -13.797 1.00 0.00 H new ATOM 0 HG21 THR A 46 -24.826 9.804 -13.764 1.00 0.00 H new ATOM 0 HG22 THR A 46 -24.676 8.033 -13.673 1.00 0.00 H new ATOM 0 HG23 THR A 46 -23.687 9.066 -12.613 1.00 0.00 H new ATOM 635 N THR A 47 -21.535 7.476 -16.758 1.00 0.00 N ATOM 636 CA THR A 47 -20.804 7.538 -17.973 1.00 0.00 C ATOM 637 C THR A 47 -21.236 8.772 -18.726 1.00 0.00 C ATOM 638 O THR A 47 -22.336 9.301 -18.487 1.00 0.00 O ATOM 639 CB THR A 47 -21.068 6.294 -18.833 1.00 0.00 C ATOM 640 OG1 THR A 47 -22.485 6.023 -18.856 1.00 0.00 O ATOM 641 CG2 THR A 47 -20.330 5.078 -18.305 1.00 0.00 C ATOM 0 H THR A 47 -22.477 7.099 -16.862 1.00 0.00 H new ATOM 0 HA THR A 47 -19.738 7.578 -17.750 1.00 0.00 H new ATOM 0 HB THR A 47 -20.703 6.496 -19.840 1.00 0.00 H new ATOM 0 HG1 THR A 47 -22.658 5.230 -19.406 1.00 0.00 H new ATOM 0 HG21 THR A 47 -20.543 4.219 -18.941 1.00 0.00 H new ATOM 0 HG22 THR A 47 -19.258 5.274 -18.307 1.00 0.00 H new ATOM 0 HG23 THR A 47 -20.658 4.867 -17.287 1.00 0.00 H new ATOM 649 N ALA A 48 -20.400 9.230 -19.590 1.00 0.00 N ATOM 650 CA ALA A 48 -20.693 10.401 -20.389 1.00 0.00 C ATOM 651 C ALA A 48 -19.931 10.370 -21.679 1.00 0.00 C ATOM 652 O ALA A 48 -18.847 9.785 -21.765 1.00 0.00 O ATOM 653 CB ALA A 48 -20.394 11.682 -19.635 1.00 0.00 C ATOM 0 H ALA A 48 -19.488 8.813 -19.774 1.00 0.00 H new ATOM 0 HA ALA A 48 -21.760 10.383 -20.610 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.626 12.539 -20.267 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -21.002 11.722 -18.731 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.339 11.707 -19.364 1.00 0.00 H new ATOM 659 N THR A 49 -20.490 10.981 -22.668 1.00 0.00 N ATOM 660 CA THR A 49 -19.898 11.042 -23.955 1.00 0.00 C ATOM 661 C THR A 49 -19.190 12.382 -24.116 1.00 0.00 C ATOM 662 O THR A 49 -19.836 13.430 -24.108 1.00 0.00 O ATOM 663 CB THR A 49 -20.988 10.951 -25.030 1.00 0.00 C ATOM 664 OG1 THR A 49 -21.919 9.908 -24.694 1.00 0.00 O ATOM 665 CG2 THR A 49 -20.370 10.661 -26.386 1.00 0.00 C ATOM 0 H THR A 49 -21.388 11.460 -22.600 1.00 0.00 H new ATOM 0 HA THR A 49 -19.193 10.217 -24.062 1.00 0.00 H new ATOM 0 HB THR A 49 -21.512 11.906 -25.076 1.00 0.00 H new ATOM 0 HG1 THR A 49 -21.569 9.046 -25.001 1.00 0.00 H new ATOM 0 HG21 THR A 49 -21.156 10.599 -27.138 1.00 0.00 H new ATOM 0 HG22 THR A 49 -19.678 11.461 -26.649 1.00 0.00 H new ATOM 0 HG23 THR A 49 -19.832 9.714 -26.345 1.00 0.00 H new ATOM 673 N ILE A 50 -17.897 12.353 -24.246 1.00 0.00 N ATOM 674 CA ILE A 50 -17.139 13.553 -24.491 1.00 0.00 C ATOM 675 C ILE A 50 -16.995 13.624 -25.990 1.00 0.00 C ATOM 676 O ILE A 50 -16.845 12.605 -26.631 1.00 0.00 O ATOM 677 CB ILE A 50 -15.704 13.455 -23.911 1.00 0.00 C ATOM 678 CG1 ILE A 50 -15.678 12.830 -22.503 1.00 0.00 C ATOM 679 CG2 ILE A 50 -15.025 14.829 -23.906 1.00 0.00 C ATOM 680 CD1 ILE A 50 -16.410 13.616 -21.438 1.00 0.00 C ATOM 0 H ILE A 50 -17.336 11.503 -24.186 1.00 0.00 H new ATOM 0 HA ILE A 50 -17.638 14.409 -24.037 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.143 12.788 -24.565 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -16.111 11.831 -22.558 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.639 12.710 -22.195 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -14.020 14.737 -23.495 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -14.967 15.210 -24.926 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.605 15.519 -23.294 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.334 13.094 -20.484 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -15.965 14.607 -21.346 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -17.460 13.714 -21.715 1.00 0.00 H new ATOM 692 N THR A 51 -17.076 14.762 -26.545 1.00 0.00 N ATOM 693 CA THR A 51 -16.934 14.884 -27.969 1.00 0.00 C ATOM 694 C THR A 51 -15.823 15.883 -28.291 1.00 0.00 C ATOM 695 O THR A 51 -15.965 17.087 -28.054 1.00 0.00 O ATOM 696 CB THR A 51 -18.272 15.290 -28.621 1.00 0.00 C ATOM 697 OG1 THR A 51 -19.308 14.410 -28.129 1.00 0.00 O ATOM 698 CG2 THR A 51 -18.195 15.173 -30.142 1.00 0.00 C ATOM 0 H THR A 51 -17.240 15.639 -26.050 1.00 0.00 H new ATOM 0 HA THR A 51 -16.656 13.916 -28.386 1.00 0.00 H new ATOM 0 HB THR A 51 -18.492 16.327 -28.366 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.166 14.657 -28.533 1.00 0.00 H new ATOM 0 HG21 THR A 51 -19.150 15.465 -30.578 1.00 0.00 H new ATOM 0 HG22 THR A 51 -17.409 15.828 -30.518 1.00 0.00 H new ATOM 0 HG23 THR A 51 -17.970 14.142 -30.417 1.00 0.00 H new ATOM 706 N ALA A 52 -14.717 15.372 -28.793 1.00 0.00 N ATOM 707 CA ALA A 52 -13.556 16.180 -29.083 1.00 0.00 C ATOM 708 C ALA A 52 -12.907 15.693 -30.363 1.00 0.00 C ATOM 709 O ALA A 52 -12.811 14.483 -30.596 1.00 0.00 O ATOM 710 CB ALA A 52 -12.581 16.138 -27.918 1.00 0.00 C ATOM 0 H ALA A 52 -14.601 14.382 -29.011 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.859 17.217 -29.223 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.710 16.751 -28.150 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.068 16.523 -27.022 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.265 15.109 -27.745 1.00 0.00 H new ATOM 716 N ARG A 53 -12.507 16.641 -31.200 1.00 0.00 N ATOM 717 CA ARG A 53 -11.950 16.422 -32.559 1.00 0.00 C ATOM 718 C ARG A 53 -12.961 15.693 -33.421 1.00 0.00 C ATOM 719 O ARG A 53 -12.611 15.017 -34.387 1.00 0.00 O ATOM 720 CB ARG A 53 -10.657 15.629 -32.547 1.00 0.00 C ATOM 721 CG ARG A 53 -9.561 16.198 -31.690 1.00 0.00 C ATOM 722 CD ARG A 53 -8.262 15.459 -31.950 1.00 0.00 C ATOM 723 NE ARG A 53 -8.463 13.991 -32.013 1.00 0.00 N ATOM 724 CZ ARG A 53 -7.512 13.082 -32.272 1.00 0.00 C ATOM 725 NH1 ARG A 53 -6.224 13.426 -32.277 1.00 0.00 N1+ ATOM 726 NH2 ARG A 53 -7.854 11.815 -32.484 1.00 0.00 N ATOM 0 H ARG A 53 -12.557 17.630 -30.955 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.731 17.409 -32.967 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.874 14.617 -32.205 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.290 15.548 -33.570 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.434 17.259 -31.904 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.831 16.116 -30.637 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.828 15.806 -32.888 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.547 15.694 -31.162 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.407 13.643 -31.845 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.953 14.390 -32.082 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.510 12.725 -32.475 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.835 11.539 -32.449 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.135 11.119 -32.682 1.00 0.00 H new ATOM 740 N GLY A 54 -14.208 15.863 -33.078 1.00 0.00 N ATOM 741 CA GLY A 54 -15.283 15.196 -33.780 1.00 0.00 C ATOM 742 C GLY A 54 -15.450 13.735 -33.364 1.00 0.00 C ATOM 743 O GLY A 54 -16.274 13.013 -33.939 1.00 0.00 O ATOM 0 H GLY A 54 -14.512 16.462 -32.311 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.216 15.729 -33.597 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.094 15.244 -34.852 1.00 0.00 H new ATOM 747 N HIS A 55 -14.688 13.293 -32.380 1.00 0.00 N ATOM 748 CA HIS A 55 -14.775 11.928 -31.906 1.00 0.00 C ATOM 749 C HIS A 55 -15.521 11.898 -30.606 1.00 0.00 C ATOM 750 O HIS A 55 -15.375 12.801 -29.775 1.00 0.00 O ATOM 751 CB HIS A 55 -13.392 11.296 -31.689 1.00 0.00 C ATOM 752 CG HIS A 55 -12.517 11.199 -32.902 1.00 0.00 C ATOM 753 ND1 HIS A 55 -12.724 10.325 -33.947 1.00 0.00 N ATOM 754 CD2 HIS A 55 -11.392 11.883 -33.210 1.00 0.00 C ATOM 755 CE1 HIS A 55 -11.744 10.500 -34.832 1.00 0.00 C ATOM 756 NE2 HIS A 55 -10.901 11.441 -34.430 1.00 0.00 N ATOM 0 H HIS A 55 -13.999 13.865 -31.892 1.00 0.00 H new ATOM 0 HA HIS A 55 -15.296 11.353 -32.672 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.865 11.875 -30.930 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -13.532 10.293 -31.285 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -10.945 12.654 -32.600 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -11.649 9.948 -35.755 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.067 11.771 -34.916 1.00 0.00 H new ATOM 764 N GLU A 56 -16.318 10.895 -30.433 1.00 0.00 N ATOM 765 CA GLU A 56 -17.060 10.722 -29.224 1.00 0.00 C ATOM 766 C GLU A 56 -16.363 9.691 -28.349 1.00 0.00 C ATOM 767 O GLU A 56 -16.132 8.553 -28.765 1.00 0.00 O ATOM 768 CB GLU A 56 -18.467 10.273 -29.537 1.00 0.00 C ATOM 769 CG GLU A 56 -19.248 11.250 -30.380 1.00 0.00 C ATOM 770 CD GLU A 56 -20.614 10.740 -30.691 1.00 0.00 C ATOM 771 OE1 GLU A 56 -21.507 10.858 -29.837 1.00 0.00 O ATOM 772 OE2 GLU A 56 -20.824 10.202 -31.792 1.00 0.00 O1- ATOM 0 H GLU A 56 -16.475 10.167 -31.130 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.111 11.672 -28.692 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -18.425 9.314 -30.054 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.001 10.107 -28.602 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -19.326 12.202 -29.856 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.710 11.440 -31.309 1.00 0.00 H new ATOM 779 N PHE A 57 -15.996 10.099 -27.184 1.00 0.00 N ATOM 780 CA PHE A 57 -15.333 9.272 -26.230 1.00 0.00 C ATOM 781 C PHE A 57 -16.298 8.984 -25.094 1.00 0.00 C ATOM 782 O PHE A 57 -16.644 9.888 -24.333 1.00 0.00 O ATOM 783 CB PHE A 57 -14.100 10.005 -25.682 1.00 0.00 C ATOM 784 CG PHE A 57 -13.117 10.446 -26.737 1.00 0.00 C ATOM 785 CD1 PHE A 57 -12.166 9.569 -27.234 1.00 0.00 C ATOM 786 CD2 PHE A 57 -13.151 11.740 -27.232 1.00 0.00 C ATOM 787 CE1 PHE A 57 -11.269 9.975 -28.204 1.00 0.00 C ATOM 788 CE2 PHE A 57 -12.259 12.149 -28.199 1.00 0.00 C ATOM 789 CZ PHE A 57 -11.316 11.268 -28.686 1.00 0.00 C ATOM 0 H PHE A 57 -16.154 11.052 -26.855 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.014 8.341 -26.698 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.431 10.880 -25.123 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.588 9.351 -24.976 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.125 8.557 -26.859 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.886 12.436 -26.855 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.533 9.282 -28.584 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -12.298 13.160 -28.576 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.616 11.589 -29.443 1.00 0.00 H new ATOM 799 N GLU A 58 -16.775 7.771 -25.014 1.00 0.00 N ATOM 800 CA GLU A 58 -17.685 7.400 -23.955 1.00 0.00 C ATOM 801 C GLU A 58 -16.849 7.009 -22.753 1.00 0.00 C ATOM 802 O GLU A 58 -16.186 5.964 -22.758 1.00 0.00 O ATOM 803 CB GLU A 58 -18.546 6.232 -24.401 1.00 0.00 C ATOM 804 CG GLU A 58 -19.738 5.924 -23.504 1.00 0.00 C ATOM 805 CD GLU A 58 -20.800 6.991 -23.557 1.00 0.00 C ATOM 806 OE1 GLU A 58 -21.233 7.345 -24.673 1.00 0.00 O ATOM 807 OE2 GLU A 58 -21.276 7.438 -22.500 1.00 0.00 O1- ATOM 0 H GLU A 58 -16.551 7.020 -25.667 1.00 0.00 H new ATOM 0 HA GLU A 58 -18.346 8.229 -23.704 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -18.912 6.435 -25.407 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -17.919 5.342 -24.463 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -20.173 4.970 -23.801 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.394 5.811 -22.476 1.00 0.00 H new ATOM 814 N VAL A 59 -16.857 7.839 -21.757 1.00 0.00 N ATOM 815 CA VAL A 59 -16.019 7.665 -20.601 1.00 0.00 C ATOM 816 C VAL A 59 -16.863 7.304 -19.391 1.00 0.00 C ATOM 817 O VAL A 59 -18.035 7.686 -19.301 1.00 0.00 O ATOM 818 CB VAL A 59 -15.204 8.964 -20.286 1.00 0.00 C ATOM 819 CG1 VAL A 59 -14.336 9.362 -21.467 1.00 0.00 C ATOM 820 CG2 VAL A 59 -16.117 10.125 -19.891 1.00 0.00 C ATOM 0 H VAL A 59 -17.451 8.668 -21.719 1.00 0.00 H new ATOM 0 HA VAL A 59 -15.320 6.858 -20.821 1.00 0.00 H new ATOM 0 HB VAL A 59 -14.560 8.738 -19.436 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -13.781 10.267 -21.222 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.637 8.557 -21.692 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -14.967 9.548 -22.336 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -15.513 11.008 -19.680 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -16.804 10.342 -20.709 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -16.686 9.854 -19.002 1.00 0.00 H new ATOM 830 N GLU A 60 -16.289 6.565 -18.503 1.00 0.00 N ATOM 831 CA GLU A 60 -16.930 6.202 -17.271 1.00 0.00 C ATOM 832 C GLU A 60 -16.241 6.928 -16.122 1.00 0.00 C ATOM 833 O GLU A 60 -15.031 6.764 -15.910 1.00 0.00 O ATOM 834 CB GLU A 60 -16.842 4.685 -17.043 1.00 0.00 C ATOM 835 CG GLU A 60 -17.573 4.204 -15.789 1.00 0.00 C ATOM 836 CD GLU A 60 -17.315 2.745 -15.464 1.00 0.00 C ATOM 837 OE1 GLU A 60 -16.463 2.098 -16.121 1.00 0.00 O ATOM 838 OE2 GLU A 60 -17.901 2.224 -14.504 1.00 0.00 O1- ATOM 0 H GLU A 60 -15.347 6.187 -18.608 1.00 0.00 H new ATOM 0 HA GLU A 60 -17.981 6.486 -17.320 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.255 4.172 -17.912 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.793 4.398 -16.973 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -17.267 4.817 -14.941 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.644 4.355 -15.921 1.00 0.00 H new ATOM 845 N ALA A 61 -16.978 7.747 -15.405 1.00 0.00 N ATOM 846 CA ALA A 61 -16.427 8.392 -14.230 1.00 0.00 C ATOM 847 C ALA A 61 -16.564 7.435 -13.058 1.00 0.00 C ATOM 848 O ALA A 61 -17.572 7.428 -12.348 1.00 0.00 O ATOM 849 CB ALA A 61 -17.101 9.725 -13.948 1.00 0.00 C ATOM 0 H ALA A 61 -17.949 7.982 -15.610 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.375 8.620 -14.398 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -16.659 10.176 -13.059 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.962 10.391 -14.800 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -18.167 9.566 -13.782 1.00 0.00 H new ATOM 855 N LYS A 62 -15.575 6.578 -12.933 1.00 0.00 N ATOM 856 CA LYS A 62 -15.583 5.481 -11.975 1.00 0.00 C ATOM 857 C LYS A 62 -15.304 5.947 -10.576 1.00 0.00 C ATOM 858 O LYS A 62 -16.085 5.725 -9.654 1.00 0.00 O ATOM 859 CB LYS A 62 -14.497 4.473 -12.357 1.00 0.00 C ATOM 860 CG LYS A 62 -14.530 4.084 -13.807 1.00 0.00 C ATOM 861 CD LYS A 62 -13.581 2.940 -14.136 1.00 0.00 C ATOM 862 CE LYS A 62 -13.977 1.638 -13.442 1.00 0.00 C ATOM 863 NZ LYS A 62 -15.375 1.267 -13.721 1.00 0.00 N1+ ATOM 0 H LYS A 62 -14.728 6.619 -13.500 1.00 0.00 H new ATOM 0 HA LYS A 62 -16.577 5.034 -12.002 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.520 4.896 -12.124 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -14.611 3.578 -11.745 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.546 3.796 -14.077 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -14.272 4.950 -14.416 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.565 2.783 -15.215 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.569 3.214 -13.839 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.316 0.836 -13.772 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.838 1.744 -12.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.549 0.296 -13.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.013 1.921 -13.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.551 1.322 -14.744 1.00 0.00 H new ATOM 877 N ASP A 63 -14.186 6.576 -10.434 1.00 0.00 N ATOM 878 CA ASP A 63 -13.692 6.973 -9.144 1.00 0.00 C ATOM 879 C ASP A 63 -13.240 8.410 -9.174 1.00 0.00 C ATOM 880 O ASP A 63 -12.832 8.915 -10.221 1.00 0.00 O ATOM 881 CB ASP A 63 -12.535 6.039 -8.726 1.00 0.00 C ATOM 882 CG ASP A 63 -11.844 6.461 -7.446 1.00 0.00 C ATOM 883 OD1 ASP A 63 -12.306 6.127 -6.350 1.00 0.00 O1- ATOM 884 OD2 ASP A 63 -10.823 7.146 -7.527 1.00 0.00 O ATOM 0 H ASP A 63 -13.579 6.835 -11.212 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.493 6.890 -8.409 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -12.923 5.028 -8.603 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.800 6.003 -9.530 1.00 0.00 H new ATOM 889 N GLN A 64 -13.296 9.039 -8.013 1.00 0.00 N ATOM 890 CA GLN A 64 -12.918 10.447 -7.770 1.00 0.00 C ATOM 891 C GLN A 64 -11.447 10.782 -8.111 1.00 0.00 C ATOM 892 O GLN A 64 -11.034 11.936 -8.005 1.00 0.00 O ATOM 893 CB GLN A 64 -13.207 10.798 -6.318 1.00 0.00 C ATOM 894 CG GLN A 64 -12.696 9.750 -5.345 1.00 0.00 C ATOM 895 CD GLN A 64 -12.859 10.122 -3.896 1.00 0.00 C ATOM 896 OE1 GLN A 64 -13.102 9.253 -3.062 1.00 0.00 O ATOM 897 NE2 GLN A 64 -12.643 11.369 -3.564 1.00 0.00 N ATOM 0 H GLN A 64 -13.619 8.573 -7.166 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.521 11.050 -8.449 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -12.749 11.759 -6.083 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -14.282 10.917 -6.185 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.221 8.813 -5.529 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.640 9.569 -5.545 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.444 12.062 -4.286 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -12.673 11.648 -2.583 1.00 0.00 H new ATOM 906 N ASN A 65 -10.664 9.779 -8.469 1.00 0.00 N ATOM 907 CA ASN A 65 -9.290 9.990 -8.941 1.00 0.00 C ATOM 908 C ASN A 65 -9.376 10.591 -10.356 1.00 0.00 C ATOM 909 O ASN A 65 -8.493 11.319 -10.813 1.00 0.00 O ATOM 910 CB ASN A 65 -8.548 8.630 -8.968 1.00 0.00 C ATOM 911 CG ASN A 65 -7.033 8.705 -9.181 1.00 0.00 C ATOM 912 OD1 ASN A 65 -6.506 9.596 -9.825 1.00 0.00 O ATOM 913 ND2 ASN A 65 -6.327 7.765 -8.623 1.00 0.00 N ATOM 0 H ASN A 65 -10.951 8.801 -8.444 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.742 10.665 -8.284 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.739 8.114 -8.027 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.978 8.018 -9.761 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.312 7.764 -8.720 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.789 7.029 -8.089 1.00 0.00 H new ATOM 920 N CYS A 66 -10.486 10.284 -11.020 1.00 0.00 N ATOM 921 CA CYS A 66 -10.809 10.780 -12.355 1.00 0.00 C ATOM 922 C CYS A 66 -9.874 10.286 -13.431 1.00 0.00 C ATOM 923 O CYS A 66 -9.599 10.982 -14.410 1.00 0.00 O ATOM 924 CB CYS A 66 -10.974 12.296 -12.379 1.00 0.00 C ATOM 925 SG CYS A 66 -12.397 12.876 -11.402 1.00 0.00 S ATOM 0 H CYS A 66 -11.203 9.669 -10.636 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.779 10.347 -12.600 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -10.065 12.760 -11.997 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -11.091 12.626 -13.411 1.00 0.00 H new ATOM 930 N LYS A 67 -9.377 9.092 -13.242 1.00 0.00 N ATOM 931 CA LYS A 67 -8.661 8.416 -14.234 1.00 0.00 C ATOM 932 C LYS A 67 -9.647 8.017 -15.315 1.00 0.00 C ATOM 933 O LYS A 67 -10.470 7.121 -15.117 1.00 0.00 O ATOM 934 CB LYS A 67 -7.983 7.187 -13.637 1.00 0.00 C ATOM 935 CG LYS A 67 -6.947 6.499 -14.508 1.00 0.00 C ATOM 936 CD LYS A 67 -5.926 7.495 -14.966 1.00 0.00 C ATOM 937 CE LYS A 67 -6.253 7.969 -16.370 1.00 0.00 C ATOM 938 NZ LYS A 67 -5.304 8.990 -16.901 1.00 0.00 N1+ ATOM 0 H LYS A 67 -9.473 8.572 -12.370 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.882 9.051 -14.655 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.504 7.481 -12.703 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.755 6.460 -13.384 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.462 5.699 -13.949 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.431 6.038 -15.369 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.903 8.344 -14.283 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.934 7.045 -14.948 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.259 7.110 -17.041 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.260 8.386 -16.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.591 9.265 -17.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.314 9.827 -16.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.344 8.591 -16.928 1.00 0.00 H new ATOM 952 N VAL A 68 -9.609 8.751 -16.391 1.00 0.00 N ATOM 953 CA VAL A 68 -10.480 8.548 -17.516 1.00 0.00 C ATOM 954 C VAL A 68 -10.358 7.132 -18.111 1.00 0.00 C ATOM 955 O VAL A 68 -9.296 6.718 -18.597 1.00 0.00 O ATOM 956 CB VAL A 68 -10.265 9.654 -18.592 1.00 0.00 C ATOM 957 CG1 VAL A 68 -8.792 9.801 -18.971 1.00 0.00 C ATOM 958 CG2 VAL A 68 -11.114 9.387 -19.824 1.00 0.00 C ATOM 0 H VAL A 68 -8.957 9.525 -16.514 1.00 0.00 H new ATOM 0 HA VAL A 68 -11.503 8.632 -17.150 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.585 10.598 -18.152 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.686 10.582 -19.724 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.214 10.068 -18.087 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.424 8.857 -19.374 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.945 10.174 -20.560 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.839 8.424 -20.253 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.167 9.372 -19.544 1.00 0.00 H new ATOM 968 N ILE A 69 -11.431 6.387 -18.001 1.00 0.00 N ATOM 969 CA ILE A 69 -11.522 5.065 -18.555 1.00 0.00 C ATOM 970 C ILE A 69 -12.789 4.983 -19.375 1.00 0.00 C ATOM 971 O ILE A 69 -13.876 5.291 -18.897 1.00 0.00 O ATOM 972 CB ILE A 69 -11.488 3.956 -17.455 1.00 0.00 C ATOM 973 CG1 ILE A 69 -10.141 4.010 -16.719 1.00 0.00 C ATOM 974 CG2 ILE A 69 -11.704 2.569 -18.070 1.00 0.00 C ATOM 975 CD1 ILE A 69 -10.015 3.073 -15.532 1.00 0.00 C ATOM 0 H ILE A 69 -12.276 6.690 -17.516 1.00 0.00 H new ATOM 0 HA ILE A 69 -10.652 4.884 -19.187 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.296 4.137 -16.746 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.347 3.779 -17.430 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -9.974 5.031 -16.375 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -11.676 1.814 -17.284 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.673 2.539 -18.568 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -10.917 2.366 -18.796 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -9.029 3.187 -15.082 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -10.781 3.315 -14.795 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -10.145 2.043 -15.866 1.00 0.00 H new ATOM 987 N LEU A 70 -12.630 4.627 -20.607 1.00 0.00 N ATOM 988 CA LEU A 70 -13.707 4.556 -21.551 1.00 0.00 C ATOM 989 C LEU A 70 -14.321 3.185 -21.581 1.00 0.00 C ATOM 990 O LEU A 70 -13.685 2.188 -21.216 1.00 0.00 O ATOM 991 CB LEU A 70 -13.256 4.925 -22.976 1.00 0.00 C ATOM 992 CG LEU A 70 -12.935 6.395 -23.303 1.00 0.00 C ATOM 993 CD1 LEU A 70 -11.714 6.898 -22.561 1.00 0.00 C ATOM 994 CD2 LEU A 70 -12.750 6.562 -24.797 1.00 0.00 C ATOM 0 H LEU A 70 -11.725 4.370 -21.000 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.448 5.282 -21.216 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.367 4.336 -23.202 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.037 4.599 -23.663 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.780 6.997 -22.969 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.530 7.939 -22.826 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.884 6.822 -21.487 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.848 6.296 -22.835 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.523 7.604 -25.021 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.928 5.931 -25.135 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.666 6.271 -25.312 1.00 0.00 H new ATOM 1006 N THR A 71 -15.514 3.145 -22.115 1.00 0.00 N ATOM 1007 CA THR A 71 -16.337 1.939 -22.226 1.00 0.00 C ATOM 1008 C THR A 71 -15.718 0.943 -23.201 1.00 0.00 C ATOM 1009 O THR A 71 -15.970 -0.270 -23.149 1.00 0.00 O ATOM 1010 CB THR A 71 -17.743 2.319 -22.717 1.00 0.00 C ATOM 1011 OG1 THR A 71 -17.625 3.085 -23.936 1.00 0.00 O ATOM 1012 CG2 THR A 71 -18.471 3.148 -21.667 1.00 0.00 C ATOM 0 H THR A 71 -15.967 3.973 -22.502 1.00 0.00 H new ATOM 0 HA THR A 71 -16.396 1.474 -21.242 1.00 0.00 H new ATOM 0 HB THR A 71 -18.314 1.408 -22.899 1.00 0.00 H new ATOM 0 HG1 THR A 71 -18.519 3.289 -24.282 1.00 0.00 H new ATOM 0 HG21 THR A 71 -19.464 3.407 -22.033 1.00 0.00 H new ATOM 0 HG22 THR A 71 -18.562 2.571 -20.747 1.00 0.00 H new ATOM 0 HG23 THR A 71 -17.908 4.060 -21.469 1.00 0.00 H new ATOM 1020 N ASN A 72 -14.892 1.464 -24.084 1.00 0.00 N ATOM 1021 CA ASN A 72 -14.213 0.651 -25.070 1.00 0.00 C ATOM 1022 C ASN A 72 -12.900 0.108 -24.535 1.00 0.00 C ATOM 1023 O ASN A 72 -12.131 -0.503 -25.266 1.00 0.00 O ATOM 1024 CB ASN A 72 -14.011 1.408 -26.394 1.00 0.00 C ATOM 1025 CG ASN A 72 -15.309 1.610 -27.176 1.00 0.00 C ATOM 1026 OD1 ASN A 72 -15.715 0.741 -27.953 1.00 0.00 O ATOM 1027 ND2 ASN A 72 -15.954 2.746 -27.009 1.00 0.00 N ATOM 0 H ASN A 72 -14.673 2.459 -24.138 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.858 -0.202 -25.282 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.565 2.380 -26.185 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.302 0.859 -27.014 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.813 2.926 -27.529 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.595 3.446 -26.360 1.00 0.00 H new ATOM 1034 N GLY A 73 -12.637 0.357 -23.255 1.00 0.00 N ATOM 1035 CA GLY A 73 -11.470 -0.189 -22.610 1.00 0.00 C ATOM 1036 C GLY A 73 -10.279 0.686 -22.816 1.00 0.00 C ATOM 1037 O GLY A 73 -9.146 0.281 -22.564 1.00 0.00 O ATOM 0 H GLY A 73 -13.223 0.935 -22.653 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.661 -0.302 -21.543 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.266 -1.184 -23.005 1.00 0.00 H new ATOM 1041 N LYS A 74 -10.528 1.894 -23.253 1.00 0.00 N ATOM 1042 CA LYS A 74 -9.477 2.805 -23.541 1.00 0.00 C ATOM 1043 C LYS A 74 -9.285 3.730 -22.384 1.00 0.00 C ATOM 1044 O LYS A 74 -10.226 4.013 -21.659 1.00 0.00 O ATOM 1045 CB LYS A 74 -9.767 3.588 -24.824 1.00 0.00 C ATOM 1046 CG LYS A 74 -9.911 2.723 -26.075 1.00 0.00 C ATOM 1047 CD LYS A 74 -8.644 1.919 -26.344 1.00 0.00 C ATOM 1048 CE LYS A 74 -8.782 1.025 -27.569 1.00 0.00 C ATOM 1049 NZ LYS A 74 -8.939 1.795 -28.823 1.00 0.00 N1+ ATOM 0 H LYS A 74 -11.465 2.262 -23.415 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.557 2.243 -23.701 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.684 4.160 -24.686 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.964 4.307 -24.985 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.756 2.045 -25.955 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.131 3.357 -26.934 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.806 2.601 -26.486 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.412 1.306 -25.473 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.903 0.385 -27.648 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.643 0.369 -27.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.927 1.144 -29.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.844 2.308 -28.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.157 2.475 -28.913 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.092 4.185 -22.199 1.00 0.00 N ATOM 1064 CA GLN A 75 -7.800 5.091 -21.103 1.00 0.00 C ATOM 1065 C GLN A 75 -7.549 6.503 -21.590 1.00 0.00 C ATOM 1066 O GLN A 75 -6.872 7.294 -20.930 1.00 0.00 O ATOM 1067 CB GLN A 75 -6.678 4.556 -20.219 1.00 0.00 C ATOM 1068 CG GLN A 75 -7.088 3.301 -19.467 1.00 0.00 C ATOM 1069 CD GLN A 75 -6.059 2.833 -18.475 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -5.185 2.025 -18.791 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -6.146 3.334 -17.269 1.00 0.00 N ATOM 0 H GLN A 75 -7.291 3.953 -22.786 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.688 5.145 -20.473 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -5.805 4.340 -20.834 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.382 5.325 -19.505 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.025 3.490 -18.944 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -7.279 2.503 -20.185 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -6.885 4.001 -17.046 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -5.475 3.057 -16.552 1.00 0.00 H new ATOM 1080 N ALA A 76 -8.148 6.796 -22.744 1.00 0.00 N ATOM 1081 CA ALA A 76 -8.165 8.123 -23.380 1.00 0.00 C ATOM 1082 C ALA A 76 -6.828 8.527 -23.991 1.00 0.00 C ATOM 1083 O ALA A 76 -5.773 8.005 -23.620 1.00 0.00 O ATOM 1084 CB ALA A 76 -8.666 9.201 -22.423 1.00 0.00 C ATOM 0 H ALA A 76 -8.654 6.095 -23.285 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.869 8.035 -24.207 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.664 10.166 -22.929 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.680 8.961 -22.103 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.012 9.247 -21.552 1.00 0.00 H new ATOM 1090 N PRO A 77 -6.876 9.393 -25.016 1.00 0.00 N ATOM 1091 CA PRO A 77 -5.683 9.987 -25.625 1.00 0.00 C ATOM 1092 C PRO A 77 -4.921 10.878 -24.647 1.00 0.00 C ATOM 1093 O PRO A 77 -5.494 11.405 -23.693 1.00 0.00 O ATOM 1094 CB PRO A 77 -6.256 10.840 -26.747 1.00 0.00 C ATOM 1095 CG PRO A 77 -7.679 11.054 -26.400 1.00 0.00 C ATOM 1096 CD PRO A 77 -8.107 9.818 -25.714 1.00 0.00 C ATOM 0 HA PRO A 77 -4.972 9.228 -25.952 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.726 11.789 -26.828 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.159 10.338 -27.710 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.799 11.923 -25.754 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.278 11.235 -27.293 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.924 10.004 -25.017 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.454 9.063 -26.419 1.00 0.00 H new ATOM 1104 N ASP A 78 -3.659 11.106 -24.946 1.00 0.00 N ATOM 1105 CA ASP A 78 -2.731 11.860 -24.082 1.00 0.00 C ATOM 1106 C ASP A 78 -3.068 13.357 -24.020 1.00 0.00 C ATOM 1107 O ASP A 78 -2.444 14.114 -23.272 1.00 0.00 O ATOM 1108 CB ASP A 78 -1.283 11.693 -24.579 1.00 0.00 C ATOM 1109 CG ASP A 78 -1.012 12.413 -25.893 1.00 0.00 C ATOM 1110 OD1 ASP A 78 -1.491 11.951 -26.956 1.00 0.00 O ATOM 1111 OD2 ASP A 78 -0.292 13.438 -25.896 1.00 0.00 O1- ATOM 0 H ASP A 78 -3.227 10.773 -25.808 1.00 0.00 H new ATOM 0 HA ASP A 78 -2.837 11.449 -23.078 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.599 12.070 -23.818 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.069 10.632 -24.703 1.00 0.00 H new ATOM 1116 N TRP A 79 -4.017 13.777 -24.813 1.00 0.00 N ATOM 1117 CA TRP A 79 -4.421 15.153 -24.848 1.00 0.00 C ATOM 1118 C TRP A 79 -5.754 15.361 -24.132 1.00 0.00 C ATOM 1119 O TRP A 79 -6.178 16.486 -23.916 1.00 0.00 O ATOM 1120 CB TRP A 79 -4.478 15.645 -26.299 1.00 0.00 C ATOM 1121 CG TRP A 79 -5.341 14.830 -27.206 1.00 0.00 C ATOM 1122 CD1 TRP A 79 -4.922 13.852 -28.033 1.00 0.00 C ATOM 1123 CD2 TRP A 79 -6.764 14.921 -27.377 1.00 0.00 C ATOM 1124 NE1 TRP A 79 -5.978 13.333 -28.725 1.00 0.00 N ATOM 1125 CE2 TRP A 79 -7.122 13.968 -28.337 1.00 0.00 C ATOM 1126 CE3 TRP A 79 -7.767 15.717 -26.812 1.00 0.00 C ATOM 1127 CZ2 TRP A 79 -8.430 13.783 -28.750 1.00 0.00 C ATOM 1128 CZ3 TRP A 79 -9.066 15.529 -27.222 1.00 0.00 C ATOM 1129 CH2 TRP A 79 -9.386 14.568 -28.185 1.00 0.00 C ATOM 0 H TRP A 79 -4.531 13.172 -25.453 1.00 0.00 H new ATOM 0 HA TRP A 79 -3.679 15.746 -24.313 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -4.839 16.673 -26.305 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -3.465 15.661 -26.702 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -3.897 13.526 -28.134 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -5.921 12.589 -29.421 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.526 16.463 -26.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -8.682 13.042 -29.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -9.851 16.134 -26.793 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.416 14.446 -28.487 1.00 0.00 H new ATOM 1140 N LEU A 80 -6.416 14.283 -23.788 1.00 0.00 N ATOM 1141 CA LEU A 80 -7.667 14.377 -23.085 1.00 0.00 C ATOM 1142 C LEU A 80 -7.381 14.269 -21.606 1.00 0.00 C ATOM 1143 O LEU A 80 -6.885 13.239 -21.128 1.00 0.00 O ATOM 1144 CB LEU A 80 -8.653 13.292 -23.547 1.00 0.00 C ATOM 1145 CG LEU A 80 -10.041 13.316 -22.886 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -10.740 14.644 -23.134 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -10.901 12.168 -23.388 1.00 0.00 C ATOM 0 H LEU A 80 -6.107 13.331 -23.985 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.142 15.334 -23.301 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.784 13.384 -24.625 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.202 12.317 -23.363 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.898 13.197 -21.812 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.719 14.634 -22.656 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.141 15.454 -22.718 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.861 14.797 -24.206 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.878 12.207 -22.906 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.026 12.252 -24.468 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.417 11.220 -23.151 1.00 0.00 H new ATOM 1159 N ALA A 81 -7.669 15.314 -20.895 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.328 15.388 -19.504 1.00 0.00 C ATOM 1161 C ALA A 81 -8.562 15.389 -18.647 1.00 0.00 C ATOM 1162 O ALA A 81 -9.592 15.931 -19.040 1.00 0.00 O ATOM 1163 CB ALA A 81 -6.502 16.631 -19.241 1.00 0.00 C ATOM 0 H ALA A 81 -8.146 16.139 -21.259 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.740 14.508 -19.245 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.247 16.681 -18.183 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.588 16.593 -19.833 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.077 17.515 -19.518 1.00 0.00 H new ATOM 1169 N ALA A 82 -8.455 14.771 -17.497 1.00 0.00 N ATOM 1170 CA ALA A 82 -9.525 14.709 -16.536 1.00 0.00 C ATOM 1171 C ALA A 82 -8.977 15.004 -15.148 1.00 0.00 C ATOM 1172 O ALA A 82 -7.955 14.428 -14.731 1.00 0.00 O ATOM 1173 CB ALA A 82 -10.197 13.348 -16.572 1.00 0.00 C ATOM 0 H ALA A 82 -7.607 14.289 -17.199 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.276 15.458 -16.787 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.003 13.321 -15.839 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.605 13.170 -17.567 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.466 12.575 -16.336 1.00 0.00 H new ATOM 1179 N GLU A 83 -9.624 15.908 -14.452 1.00 0.00 N ATOM 1180 CA GLU A 83 -9.219 16.331 -13.134 1.00 0.00 C ATOM 1181 C GLU A 83 -10.429 16.280 -12.192 1.00 0.00 C ATOM 1182 O GLU A 83 -11.542 16.589 -12.609 1.00 0.00 O ATOM 1183 CB GLU A 83 -8.623 17.748 -13.190 1.00 0.00 C ATOM 1184 CG GLU A 83 -7.403 17.860 -14.104 1.00 0.00 C ATOM 1185 CD GLU A 83 -6.772 19.221 -14.090 1.00 0.00 C ATOM 1186 OE1 GLU A 83 -5.976 19.493 -13.189 1.00 0.00 O ATOM 1187 OE2 GLU A 83 -7.037 20.031 -14.993 1.00 0.00 O1- ATOM 0 H GLU A 83 -10.462 16.379 -14.793 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.449 15.660 -12.754 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.389 18.443 -13.533 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.342 18.056 -12.183 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.662 17.121 -13.801 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.699 17.615 -15.124 1.00 0.00 H new ATOM 1194 N PRO A 84 -10.231 15.838 -10.946 1.00 0.00 N ATOM 1195 CA PRO A 84 -11.307 15.687 -9.947 1.00 0.00 C ATOM 1196 C PRO A 84 -11.982 17.013 -9.546 1.00 0.00 C ATOM 1197 O PRO A 84 -11.319 17.982 -9.119 1.00 0.00 O ATOM 1198 CB PRO A 84 -10.571 15.066 -8.753 1.00 0.00 C ATOM 1199 CG PRO A 84 -9.159 15.455 -8.936 1.00 0.00 C ATOM 1200 CD PRO A 84 -8.939 15.401 -10.399 1.00 0.00 C ATOM 0 HA PRO A 84 -12.132 15.090 -10.334 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.965 15.440 -7.808 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.684 13.982 -8.739 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.970 16.454 -8.544 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.490 14.774 -8.410 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.127 16.058 -10.709 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.680 14.396 -10.731 1.00 0.00 H new ATOM 1208 N TYR A 85 -13.286 17.047 -9.663 1.00 0.00 N ATOM 1209 CA TYR A 85 -14.058 18.211 -9.340 1.00 0.00 C ATOM 1210 C TYR A 85 -14.861 17.970 -8.076 1.00 0.00 C ATOM 1211 O TYR A 85 -14.506 18.534 -7.021 1.00 0.00 O ATOM 1212 CB TYR A 85 -14.981 18.605 -10.491 1.00 0.00 C ATOM 1213 CG TYR A 85 -15.840 19.830 -10.224 1.00 0.00 C ATOM 1214 CD1 TYR A 85 -15.357 21.109 -10.461 1.00 0.00 C ATOM 1215 CD2 TYR A 85 -17.137 19.705 -9.743 1.00 0.00 C ATOM 1216 CE1 TYR A 85 -16.144 22.222 -10.224 1.00 0.00 C ATOM 1217 CE2 TYR A 85 -17.922 20.805 -9.505 1.00 0.00 C ATOM 1218 CZ TYR A 85 -17.426 22.058 -9.747 1.00 0.00 C ATOM 1219 OH TYR A 85 -18.224 23.161 -9.506 1.00 0.00 O ATOM 1220 OXT TYR A 85 -15.852 17.204 -8.125 1.00 0.00 O1- ATOM 0 H TYR A 85 -13.843 16.257 -9.989 1.00 0.00 H new ATOM 0 HA TYR A 85 -13.368 19.037 -9.171 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -14.375 18.789 -11.378 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -15.634 17.763 -10.720 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -14.352 21.238 -10.836 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.537 18.720 -9.552 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -15.756 23.212 -10.412 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -18.927 20.683 -9.128 1.00 0.00 H new ATOM 0 HH TYR A 85 -19.098 22.866 -9.174 1.00 0.00 H new