USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 588 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 CYS SG : rot 100:sc= -6.02! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 147:sc= -0.591 (180deg=-2.85!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -29:sc= 0.0314 USER MOD Single : A 63 GLN : amide:sc= -0.703 K(o=-0.7,f=-2.9) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.772 K(o=-0.77,f=-0.036) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 153:sc= 0.106 (180deg=-0.452) USER MOD Single : A 77 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-2.6!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.548 K(o=-0.55,f=-1.7) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -138:sc= -0.0914 (180deg=-1.94!) USER MOD Single : A 91 SER OG : rot 166:sc= -0.014 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 16 -0.710 9.366 0.152 1.00 0.00 N ATOM 168 CA GLY A 16 -0.985 7.951 -0.020 1.00 0.00 C ATOM 169 C GLY A 16 0.069 7.073 0.626 1.00 0.00 C ATOM 170 O GLY A 16 0.437 6.032 0.083 1.00 0.00 O ATOM 0 HA2 GLY A 16 -1.960 7.719 0.409 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.042 7.722 -1.084 1.00 0.00 H new ATOM 174 N PHE A 17 0.557 7.495 1.787 1.00 0.00 N ATOM 175 CA PHE A 17 1.576 6.742 2.508 1.00 0.00 C ATOM 176 C PHE A 17 0.949 5.599 3.302 1.00 0.00 C ATOM 177 O PHE A 17 -0.171 5.716 3.800 1.00 0.00 O ATOM 178 CB PHE A 17 2.354 7.664 3.448 1.00 0.00 C ATOM 179 CG PHE A 17 3.791 7.850 3.053 1.00 0.00 C ATOM 180 CD1 PHE A 17 4.710 6.829 3.235 1.00 0.00 C ATOM 181 CD2 PHE A 17 4.223 9.045 2.500 1.00 0.00 C ATOM 182 CE1 PHE A 17 6.034 6.997 2.872 1.00 0.00 C ATOM 183 CE2 PHE A 17 5.545 9.219 2.134 1.00 0.00 C ATOM 184 CZ PHE A 17 6.451 8.194 2.321 1.00 0.00 C ATOM 0 H PHE A 17 0.263 8.355 2.249 1.00 0.00 H new ATOM 0 HA PHE A 17 2.263 6.318 1.776 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.865 8.638 3.476 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.313 7.257 4.458 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.389 5.892 3.665 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.518 9.850 2.353 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.741 6.194 3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.868 10.155 1.703 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.484 8.327 2.037 1.00 0.00 H new ATOM 194 N VAL A 18 1.679 4.494 3.414 1.00 0.00 N ATOM 195 CA VAL A 18 1.196 3.330 4.148 1.00 0.00 C ATOM 196 C VAL A 18 2.325 2.665 4.928 1.00 0.00 C ATOM 197 O VAL A 18 3.485 2.706 4.518 1.00 0.00 O ATOM 198 CB VAL A 18 0.561 2.294 3.201 1.00 0.00 C ATOM 199 CG1 VAL A 18 -0.780 2.793 2.685 1.00 0.00 C ATOM 200 CG2 VAL A 18 1.502 1.980 2.047 1.00 0.00 C ATOM 0 H VAL A 18 2.607 4.380 3.006 1.00 0.00 H new ATOM 0 HA VAL A 18 0.438 3.687 4.845 1.00 0.00 H new ATOM 0 HB VAL A 18 0.389 1.374 3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.213 2.048 2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.453 2.962 3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.636 3.727 2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.037 1.247 1.388 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.708 2.892 1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.436 1.576 2.438 1.00 0.00 H new ATOM 210 N ARG A 19 1.976 2.052 6.055 1.00 0.00 N ATOM 211 CA ARG A 19 2.960 1.377 6.893 1.00 0.00 C ATOM 212 C ARG A 19 2.718 -0.129 6.912 1.00 0.00 C ATOM 213 O ARG A 19 1.573 -0.584 6.939 1.00 0.00 O ATOM 214 CB ARG A 19 2.910 1.931 8.319 1.00 0.00 C ATOM 215 CG ARG A 19 3.930 1.299 9.252 1.00 0.00 C ATOM 216 CD ARG A 19 3.912 1.957 10.623 1.00 0.00 C ATOM 217 NE ARG A 19 3.096 1.210 11.578 1.00 0.00 N ATOM 218 CZ ARG A 19 2.717 1.693 12.755 1.00 0.00 C ATOM 219 NH1 ARG A 19 3.077 2.915 13.123 1.00 0.00 N ATOM 220 NH2 ARG A 19 1.974 0.952 13.569 1.00 0.00 N ATOM 0 H ARG A 19 1.020 2.009 6.408 1.00 0.00 H new ATOM 0 HA ARG A 19 3.948 1.562 6.472 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.076 3.008 8.288 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.911 1.774 8.726 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.720 0.234 9.355 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.926 1.387 8.818 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.931 2.036 11.001 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.526 2.972 10.533 1.00 0.00 H new ATOM 0 HE ARG A 19 2.802 0.266 11.327 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.647 3.488 12.501 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.784 3.282 14.028 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.694 0.012 13.290 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.683 1.323 14.473 1.00 0.00 H new ATOM 234 N LEU A 20 3.801 -0.897 6.896 1.00 0.00 N ATOM 235 CA LEU A 20 3.707 -2.353 6.911 1.00 0.00 C ATOM 236 C LEU A 20 4.332 -2.927 8.179 1.00 0.00 C ATOM 237 O LEU A 20 5.322 -2.400 8.687 1.00 0.00 O ATOM 238 CB LEU A 20 4.397 -2.940 5.678 1.00 0.00 C ATOM 239 CG LEU A 20 4.290 -2.118 4.393 1.00 0.00 C ATOM 240 CD1 LEU A 20 5.019 -2.811 3.253 1.00 0.00 C ATOM 241 CD2 LEU A 20 2.831 -1.882 4.031 1.00 0.00 C ATOM 0 H LEU A 20 4.755 -0.536 6.873 1.00 0.00 H new ATOM 0 HA LEU A 20 2.652 -2.625 6.894 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.453 -3.079 5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.979 -3.929 5.489 1.00 0.00 H new ATOM 0 HG LEU A 20 4.762 -1.151 4.563 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.932 -2.211 2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.072 -2.927 3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.577 -3.793 3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.774 -1.295 3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.334 -2.840 3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.339 -1.341 4.839 1.00 0.00 H new ATOM 253 N ARG A 21 3.748 -4.009 8.682 1.00 0.00 N ATOM 254 CA ARG A 21 4.248 -4.654 9.890 1.00 0.00 C ATOM 255 C ARG A 21 4.221 -6.173 9.746 1.00 0.00 C ATOM 256 O ARG A 21 3.174 -6.762 9.478 1.00 0.00 O ATOM 257 CB ARG A 21 3.416 -4.231 11.102 1.00 0.00 C ATOM 258 CG ARG A 21 4.140 -3.272 12.033 1.00 0.00 C ATOM 259 CD ARG A 21 3.415 -3.132 13.363 1.00 0.00 C ATOM 260 NE ARG A 21 4.345 -3.047 14.486 1.00 0.00 N ATOM 261 CZ ARG A 21 4.934 -4.104 15.034 1.00 0.00 C ATOM 262 NH1 ARG A 21 4.692 -5.320 14.565 1.00 0.00 N ATOM 263 NH2 ARG A 21 5.768 -3.944 16.055 1.00 0.00 N ATOM 0 H ARG A 21 2.929 -4.457 8.272 1.00 0.00 H new ATOM 0 HA ARG A 21 5.281 -4.338 10.039 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.496 -3.761 10.754 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.128 -5.120 11.663 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.155 -3.629 12.207 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.223 -2.295 11.558 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.789 -2.240 13.343 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.751 -3.985 13.506 1.00 0.00 H new ATOM 0 HE ARG A 21 4.554 -2.126 14.871 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.052 -5.446 13.781 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.146 -6.129 14.988 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.956 -3.010 16.418 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.220 -4.755 16.476 1.00 0.00 H new ATOM 277 N GLY A 22 5.378 -6.801 9.925 1.00 0.00 N ATOM 278 CA GLY A 22 5.465 -8.244 9.811 1.00 0.00 C ATOM 279 C GLY A 22 6.040 -8.687 8.479 1.00 0.00 C ATOM 280 O GLY A 22 5.587 -9.674 7.897 1.00 0.00 O ATOM 0 H GLY A 22 6.258 -6.335 10.147 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.086 -8.632 10.618 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.472 -8.676 9.936 1.00 0.00 H new ATOM 284 N LEU A 23 7.037 -7.955 7.995 1.00 0.00 N ATOM 285 CA LEU A 23 7.673 -8.278 6.722 1.00 0.00 C ATOM 286 C LEU A 23 8.526 -9.536 6.842 1.00 0.00 C ATOM 287 O LEU A 23 9.114 -9.820 7.886 1.00 0.00 O ATOM 288 CB LEU A 23 8.536 -7.106 6.251 1.00 0.00 C ATOM 289 CG LEU A 23 7.788 -5.819 5.900 1.00 0.00 C ATOM 290 CD1 LEU A 23 8.766 -4.684 5.647 1.00 0.00 C ATOM 291 CD2 LEU A 23 6.894 -6.035 4.687 1.00 0.00 C ATOM 0 H LEU A 23 7.422 -7.135 8.464 1.00 0.00 H new ATOM 0 HA LEU A 23 6.888 -8.463 5.988 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.262 -6.879 7.032 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.100 -7.425 5.374 1.00 0.00 H new ATOM 0 HG LEU A 23 7.158 -5.546 6.747 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.215 -3.777 5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.363 -4.512 6.542 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.423 -4.948 4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.370 -5.109 4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.504 -6.333 3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.168 -6.818 4.905 1.00 0.00 H new ATOM 303 N PRO A 24 8.598 -10.308 5.748 1.00 0.00 N ATOM 304 CA PRO A 24 9.379 -11.549 5.705 1.00 0.00 C ATOM 305 C PRO A 24 10.881 -11.288 5.740 1.00 0.00 C ATOM 306 O PRO A 24 11.325 -10.142 5.669 1.00 0.00 O ATOM 307 CB PRO A 24 8.976 -12.175 4.368 1.00 0.00 C ATOM 308 CG PRO A 24 8.543 -11.026 3.525 1.00 0.00 C ATOM 309 CD PRO A 24 7.923 -10.032 4.469 1.00 0.00 C ATOM 0 HA PRO A 24 9.181 -12.187 6.566 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.811 -12.707 3.913 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.170 -12.897 4.496 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.390 -10.588 2.997 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.827 -11.345 2.768 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.091 -9.007 4.139 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.845 -10.170 4.546 1.00 0.00 H new ATOM 317 N PHE A 25 11.660 -12.360 5.849 1.00 0.00 N ATOM 318 CA PHE A 25 13.114 -12.248 5.893 1.00 0.00 C ATOM 319 C PHE A 25 13.660 -11.728 4.567 1.00 0.00 C ATOM 320 O PHE A 25 13.385 -12.290 3.507 1.00 0.00 O ATOM 321 CB PHE A 25 13.742 -13.604 6.221 1.00 0.00 C ATOM 322 CG PHE A 25 14.737 -13.547 7.344 1.00 0.00 C ATOM 323 CD1 PHE A 25 15.801 -12.662 7.302 1.00 0.00 C ATOM 324 CD2 PHE A 25 14.608 -14.382 8.443 1.00 0.00 C ATOM 325 CE1 PHE A 25 16.719 -12.608 8.334 1.00 0.00 C ATOM 326 CE2 PHE A 25 15.522 -14.332 9.479 1.00 0.00 C ATOM 327 CZ PHE A 25 16.579 -13.445 9.424 1.00 0.00 C ATOM 0 H PHE A 25 11.309 -13.316 5.908 1.00 0.00 H new ATOM 0 HA PHE A 25 13.375 -11.536 6.676 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.952 -14.308 6.482 1.00 0.00 H new ATOM 0 HB3 PHE A 25 14.234 -13.993 5.329 1.00 0.00 H new ATOM 0 HD1 PHE A 25 15.915 -12.006 6.452 1.00 0.00 H new ATOM 0 HD2 PHE A 25 13.785 -15.079 8.490 1.00 0.00 H new ATOM 0 HE1 PHE A 25 17.544 -11.913 8.288 1.00 0.00 H new ATOM 0 HE2 PHE A 25 15.409 -14.986 10.331 1.00 0.00 H new ATOM 0 HZ PHE A 25 17.295 -13.406 10.232 1.00 0.00 H new ATOM 337 N GLY A 26 14.436 -10.650 4.634 1.00 0.00 N ATOM 338 CA GLY A 26 15.008 -10.072 3.432 1.00 0.00 C ATOM 339 C GLY A 26 13.980 -9.335 2.597 1.00 0.00 C ATOM 340 O GLY A 26 14.150 -9.179 1.387 1.00 0.00 O ATOM 0 H GLY A 26 14.678 -10.167 5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.808 -9.385 3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.460 -10.862 2.832 1.00 0.00 H new ATOM 344 N CYS A 27 12.909 -8.884 3.241 1.00 0.00 N ATOM 345 CA CYS A 27 11.848 -8.163 2.548 1.00 0.00 C ATOM 346 C CYS A 27 12.366 -6.845 1.982 1.00 0.00 C ATOM 347 O CYS A 27 12.921 -6.020 2.709 1.00 0.00 O ATOM 348 CB CYS A 27 10.679 -7.899 3.499 1.00 0.00 C ATOM 349 SG CYS A 27 9.360 -6.890 2.783 1.00 0.00 S ATOM 0 H CYS A 27 12.753 -9.005 4.242 1.00 0.00 H new ATOM 0 HA CYS A 27 11.502 -8.782 1.720 1.00 0.00 H new ATOM 0 HB2 CYS A 27 10.260 -8.854 3.817 1.00 0.00 H new ATOM 0 HB3 CYS A 27 11.057 -7.403 4.393 1.00 0.00 H new ATOM 0 HG CYS A 27 8.387 -7.660 2.395 1.00 0.00 H new ATOM 355 N SER A 28 12.184 -6.653 0.680 1.00 0.00 N ATOM 356 CA SER A 28 12.638 -5.438 0.014 1.00 0.00 C ATOM 357 C SER A 28 11.631 -4.988 -1.040 1.00 0.00 C ATOM 358 O SER A 28 10.660 -5.687 -1.328 1.00 0.00 O ATOM 359 CB SER A 28 14.005 -5.666 -0.634 1.00 0.00 C ATOM 360 OG SER A 28 14.992 -5.947 0.343 1.00 0.00 O ATOM 0 H SER A 28 11.725 -7.324 0.064 1.00 0.00 H new ATOM 0 HA SER A 28 12.727 -4.653 0.765 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.942 -6.493 -1.341 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.293 -4.782 -1.203 1.00 0.00 H new ATOM 0 HG SER A 28 15.856 -6.090 -0.097 1.00 0.00 H new ATOM 366 N LYS A 29 11.871 -3.813 -1.614 1.00 0.00 N ATOM 367 CA LYS A 29 10.988 -3.267 -2.638 1.00 0.00 C ATOM 368 C LYS A 29 10.689 -4.310 -3.710 1.00 0.00 C ATOM 369 O LYS A 29 9.532 -4.533 -4.064 1.00 0.00 O ATOM 370 CB LYS A 29 11.619 -2.028 -3.277 1.00 0.00 C ATOM 371 CG LYS A 29 11.755 -0.854 -2.324 1.00 0.00 C ATOM 372 CD LYS A 29 13.167 -0.293 -2.327 1.00 0.00 C ATOM 373 CE LYS A 29 13.940 -0.721 -1.089 1.00 0.00 C ATOM 374 NZ LYS A 29 15.010 0.254 -0.739 1.00 0.00 N ATOM 0 H LYS A 29 12.670 -3.221 -1.387 1.00 0.00 H new ATOM 0 HA LYS A 29 10.050 -2.983 -2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 29 12.605 -2.290 -3.660 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.015 -1.723 -4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.051 -0.071 -2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.491 -1.171 -1.315 1.00 0.00 H new ATOM 0 HD2 LYS A 29 13.692 -0.632 -3.220 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.127 0.795 -2.374 1.00 0.00 H new ATOM 0 HE2 LYS A 29 13.253 -0.823 -0.249 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.384 -1.702 -1.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.514 -0.073 0.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.680 0.333 -1.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.584 1.184 -0.552 1.00 0.00 H new ATOM 388 N GLU A 30 11.738 -4.944 -4.222 1.00 0.00 N ATOM 389 CA GLU A 30 11.587 -5.963 -5.254 1.00 0.00 C ATOM 390 C GLU A 30 10.365 -6.837 -4.980 1.00 0.00 C ATOM 391 O GLU A 30 9.622 -7.186 -5.896 1.00 0.00 O ATOM 392 CB GLU A 30 12.842 -6.833 -5.332 1.00 0.00 C ATOM 393 CG GLU A 30 13.967 -6.208 -6.139 1.00 0.00 C ATOM 394 CD GLU A 30 14.641 -7.199 -7.068 1.00 0.00 C ATOM 395 OE1 GLU A 30 13.950 -8.118 -7.557 1.00 0.00 O ATOM 396 OE2 GLU A 30 15.858 -7.055 -7.307 1.00 0.00 O ATOM 0 H GLU A 30 12.702 -4.770 -3.939 1.00 0.00 H new ATOM 0 HA GLU A 30 11.445 -5.458 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.199 -7.033 -4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.580 -7.795 -5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.571 -5.378 -6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.709 -5.792 -5.458 1.00 0.00 H new ATOM 403 N GLU A 31 10.167 -7.185 -3.712 1.00 0.00 N ATOM 404 CA GLU A 31 9.037 -8.019 -3.319 1.00 0.00 C ATOM 405 C GLU A 31 7.784 -7.173 -3.108 1.00 0.00 C ATOM 406 O GLU A 31 6.668 -7.627 -3.361 1.00 0.00 O ATOM 407 CB GLU A 31 9.367 -8.789 -2.037 1.00 0.00 C ATOM 408 CG GLU A 31 10.057 -10.119 -2.289 1.00 0.00 C ATOM 409 CD GLU A 31 9.193 -11.306 -1.907 1.00 0.00 C ATOM 410 OE1 GLU A 31 8.031 -11.364 -2.362 1.00 0.00 O ATOM 411 OE2 GLU A 31 9.678 -12.177 -1.156 1.00 0.00 O ATOM 0 H GLU A 31 10.773 -6.903 -2.941 1.00 0.00 H new ATOM 0 HA GLU A 31 8.844 -8.729 -4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.006 -8.171 -1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.446 -8.966 -1.482 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.323 -10.192 -3.344 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.988 -10.154 -1.723 1.00 0.00 H new ATOM 418 N ILE A 32 7.979 -5.944 -2.643 1.00 0.00 N ATOM 419 CA ILE A 32 6.866 -5.035 -2.399 1.00 0.00 C ATOM 420 C ILE A 32 6.219 -4.593 -3.708 1.00 0.00 C ATOM 421 O ILE A 32 5.042 -4.855 -3.951 1.00 0.00 O ATOM 422 CB ILE A 32 7.317 -3.788 -1.617 1.00 0.00 C ATOM 423 CG1 ILE A 32 7.943 -4.196 -0.282 1.00 0.00 C ATOM 424 CG2 ILE A 32 6.142 -2.849 -1.392 1.00 0.00 C ATOM 425 CD1 ILE A 32 8.552 -3.039 0.480 1.00 0.00 C ATOM 0 H ILE A 32 8.897 -5.555 -2.428 1.00 0.00 H new ATOM 0 HA ILE A 32 6.137 -5.584 -1.803 1.00 0.00 H new ATOM 0 HB ILE A 32 8.069 -3.262 -2.204 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.181 -4.668 0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.713 -4.945 -0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.478 -1.972 -0.838 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.736 -2.537 -2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.369 -3.364 -0.822 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.977 -3.403 1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.337 -2.581 -0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.781 -2.299 0.695 1.00 0.00 H new ATOM 437 N VAL A 33 7.000 -3.923 -4.550 1.00 0.00 N ATOM 438 CA VAL A 33 6.505 -3.448 -5.837 1.00 0.00 C ATOM 439 C VAL A 33 5.510 -4.433 -6.442 1.00 0.00 C ATOM 440 O VAL A 33 4.442 -4.041 -6.909 1.00 0.00 O ATOM 441 CB VAL A 33 7.659 -3.223 -6.834 1.00 0.00 C ATOM 442 CG1 VAL A 33 7.116 -2.990 -8.234 1.00 0.00 C ATOM 443 CG2 VAL A 33 8.527 -2.057 -6.388 1.00 0.00 C ATOM 0 H VAL A 33 7.977 -3.697 -4.364 1.00 0.00 H new ATOM 0 HA VAL A 33 6.004 -2.498 -5.652 1.00 0.00 H new ATOM 0 HB VAL A 33 8.279 -4.120 -6.856 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.945 -2.833 -8.924 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.540 -3.860 -8.550 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.473 -2.110 -8.233 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.337 -1.912 -7.103 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.922 -1.152 -6.336 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.945 -2.270 -5.404 1.00 0.00 H new ATOM 453 N GLN A 34 5.870 -5.712 -6.428 1.00 0.00 N ATOM 454 CA GLN A 34 5.009 -6.754 -6.976 1.00 0.00 C ATOM 455 C GLN A 34 3.851 -7.054 -6.030 1.00 0.00 C ATOM 456 O GLN A 34 2.710 -7.220 -6.463 1.00 0.00 O ATOM 457 CB GLN A 34 5.814 -8.027 -7.236 1.00 0.00 C ATOM 458 CG GLN A 34 6.227 -8.200 -8.688 1.00 0.00 C ATOM 459 CD GLN A 34 7.221 -9.328 -8.883 1.00 0.00 C ATOM 460 OE1 GLN A 34 7.554 -10.046 -7.940 1.00 0.00 O ATOM 461 NE2 GLN A 34 7.701 -9.489 -10.110 1.00 0.00 N ATOM 0 H GLN A 34 6.751 -6.052 -6.043 1.00 0.00 H new ATOM 0 HA GLN A 34 4.600 -6.394 -7.920 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.707 -8.016 -6.612 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.222 -8.890 -6.930 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.341 -8.393 -9.293 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.664 -7.270 -9.051 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.397 -8.870 -10.862 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.374 -10.231 -10.301 1.00 0.00 H new ATOM 470 N PHE A 35 4.151 -7.123 -4.737 1.00 0.00 N ATOM 471 CA PHE A 35 3.135 -7.405 -3.730 1.00 0.00 C ATOM 472 C PHE A 35 1.925 -6.492 -3.907 1.00 0.00 C ATOM 473 O PHE A 35 0.800 -6.860 -3.568 1.00 0.00 O ATOM 474 CB PHE A 35 3.717 -7.233 -2.326 1.00 0.00 C ATOM 475 CG PHE A 35 2.671 -7.111 -1.255 1.00 0.00 C ATOM 476 CD1 PHE A 35 1.974 -8.226 -0.819 1.00 0.00 C ATOM 477 CD2 PHE A 35 2.386 -5.882 -0.682 1.00 0.00 C ATOM 478 CE1 PHE A 35 1.011 -8.117 0.166 1.00 0.00 C ATOM 479 CE2 PHE A 35 1.425 -5.766 0.304 1.00 0.00 C ATOM 480 CZ PHE A 35 0.737 -6.886 0.729 1.00 0.00 C ATOM 0 H PHE A 35 5.090 -6.987 -4.362 1.00 0.00 H new ATOM 0 HA PHE A 35 2.810 -8.438 -3.857 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.359 -8.085 -2.101 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.348 -6.345 -2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.186 -9.192 -1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.922 -5.004 -1.010 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.473 -8.994 0.495 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.212 -4.802 0.741 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.014 -6.799 1.500 1.00 0.00 H new ATOM 490 N PHE A 36 2.165 -5.299 -4.440 1.00 0.00 N ATOM 491 CA PHE A 36 1.097 -4.332 -4.660 1.00 0.00 C ATOM 492 C PHE A 36 0.677 -4.311 -6.128 1.00 0.00 C ATOM 493 O PHE A 36 0.392 -3.252 -6.687 1.00 0.00 O ATOM 494 CB PHE A 36 1.548 -2.935 -4.228 1.00 0.00 C ATOM 495 CG PHE A 36 1.471 -2.713 -2.744 1.00 0.00 C ATOM 496 CD1 PHE A 36 0.270 -2.860 -2.070 1.00 0.00 C ATOM 497 CD2 PHE A 36 2.600 -2.357 -2.025 1.00 0.00 C ATOM 498 CE1 PHE A 36 0.196 -2.657 -0.704 1.00 0.00 C ATOM 499 CE2 PHE A 36 2.533 -2.153 -0.659 1.00 0.00 C ATOM 500 CZ PHE A 36 1.329 -2.303 0.002 1.00 0.00 C ATOM 0 H PHE A 36 3.090 -4.979 -4.728 1.00 0.00 H new ATOM 0 HA PHE A 36 0.239 -4.632 -4.058 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.574 -2.775 -4.559 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.931 -2.191 -4.731 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.619 -3.136 -2.617 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.543 -2.237 -2.537 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.746 -2.775 -0.190 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.421 -1.877 -0.109 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.274 -2.144 1.069 1.00 0.00 H new ATOM 510 N SER A 37 0.641 -5.488 -6.743 1.00 0.00 N ATOM 511 CA SER A 37 0.260 -5.607 -8.146 1.00 0.00 C ATOM 512 C SER A 37 -1.067 -4.901 -8.409 1.00 0.00 C ATOM 513 O SER A 37 -1.999 -4.987 -7.610 1.00 0.00 O ATOM 514 CB SER A 37 0.155 -7.079 -8.545 1.00 0.00 C ATOM 515 OG SER A 37 -0.858 -7.738 -7.804 1.00 0.00 O ATOM 0 H SER A 37 0.871 -6.374 -6.292 1.00 0.00 H new ATOM 0 HA SER A 37 1.032 -5.129 -8.749 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.062 -7.156 -9.611 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.112 -7.573 -8.378 1.00 0.00 H new ATOM 0 HG SER A 37 -0.906 -8.677 -8.079 1.00 0.00 H new ATOM 521 N GLY A 38 -1.145 -4.201 -9.537 1.00 0.00 N ATOM 522 CA GLY A 38 -2.360 -3.490 -9.887 1.00 0.00 C ATOM 523 C GLY A 38 -2.332 -2.040 -9.446 1.00 0.00 C ATOM 524 O GLY A 38 -2.981 -1.186 -10.051 1.00 0.00 O ATOM 0 H GLY A 38 -0.388 -4.114 -10.215 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.505 -3.535 -10.966 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.214 -3.989 -9.429 1.00 0.00 H new ATOM 528 N LEU A 39 -1.579 -1.760 -8.388 1.00 0.00 N ATOM 529 CA LEU A 39 -1.469 -0.403 -7.865 1.00 0.00 C ATOM 530 C LEU A 39 -0.240 0.302 -8.431 1.00 0.00 C ATOM 531 O LEU A 39 0.736 -0.343 -8.810 1.00 0.00 O ATOM 532 CB LEU A 39 -1.395 -0.429 -6.336 1.00 0.00 C ATOM 533 CG LEU A 39 -2.491 -1.223 -5.626 1.00 0.00 C ATOM 534 CD1 LEU A 39 -1.937 -1.909 -4.387 1.00 0.00 C ATOM 535 CD2 LEU A 39 -3.655 -0.314 -5.258 1.00 0.00 C ATOM 0 H LEU A 39 -1.036 -2.455 -7.876 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.357 0.150 -8.172 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.429 -0.842 -6.046 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.425 0.598 -5.973 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.856 -1.990 -6.308 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.732 -2.469 -3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.137 -2.591 -4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.544 -1.159 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.426 -0.896 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.304 0.476 -4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.070 0.130 -6.163 1.00 0.00 H new ATOM 547 N GLU A 40 -0.298 1.629 -8.485 1.00 0.00 N ATOM 548 CA GLU A 40 0.810 2.421 -9.005 1.00 0.00 C ATOM 549 C GLU A 40 1.518 3.172 -7.879 1.00 0.00 C ATOM 550 O GLU A 40 0.915 4.005 -7.202 1.00 0.00 O ATOM 551 CB GLU A 40 0.309 3.411 -10.057 1.00 0.00 C ATOM 552 CG GLU A 40 1.259 4.571 -10.304 1.00 0.00 C ATOM 553 CD GLU A 40 0.819 5.452 -11.455 1.00 0.00 C ATOM 554 OE1 GLU A 40 0.200 4.924 -12.404 1.00 0.00 O ATOM 555 OE2 GLU A 40 1.090 6.670 -11.410 1.00 0.00 O ATOM 0 H GLU A 40 -1.100 2.178 -8.175 1.00 0.00 H new ATOM 0 HA GLU A 40 1.523 1.740 -9.469 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.146 2.880 -10.995 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.657 3.805 -9.742 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.333 5.173 -9.399 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.256 4.181 -10.511 1.00 0.00 H new ATOM 562 N ILE A 41 2.797 2.870 -7.688 1.00 0.00 N ATOM 563 CA ILE A 41 3.586 3.517 -6.646 1.00 0.00 C ATOM 564 C ILE A 41 4.631 4.450 -7.248 1.00 0.00 C ATOM 565 O ILE A 41 5.077 4.253 -8.378 1.00 0.00 O ATOM 566 CB ILE A 41 4.292 2.481 -5.751 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.314 1.378 -5.341 1.00 0.00 C ATOM 568 CG2 ILE A 41 4.882 3.158 -4.523 1.00 0.00 C ATOM 569 CD1 ILE A 41 3.983 0.049 -5.067 1.00 0.00 C ATOM 0 H ILE A 41 3.309 2.182 -8.240 1.00 0.00 H new ATOM 0 HA ILE A 41 2.892 4.098 -6.038 1.00 0.00 H new ATOM 0 HB ILE A 41 5.105 2.027 -6.317 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.775 1.695 -4.448 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.574 1.247 -6.131 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.378 2.414 -3.900 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.606 3.910 -4.835 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.085 3.636 -3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.230 -0.686 -4.782 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.499 -0.290 -5.965 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.703 0.164 -4.256 1.00 0.00 H new ATOM 581 N VAL A 42 5.020 5.464 -6.483 1.00 0.00 N ATOM 582 CA VAL A 42 6.016 6.427 -6.938 1.00 0.00 C ATOM 583 C VAL A 42 7.422 5.844 -6.855 1.00 0.00 C ATOM 584 O VAL A 42 7.736 5.039 -5.979 1.00 0.00 O ATOM 585 CB VAL A 42 5.961 7.725 -6.112 1.00 0.00 C ATOM 586 CG1 VAL A 42 4.696 8.508 -6.430 1.00 0.00 C ATOM 587 CG2 VAL A 42 6.046 7.414 -4.625 1.00 0.00 C ATOM 0 H VAL A 42 4.661 5.640 -5.545 1.00 0.00 H new ATOM 0 HA VAL A 42 5.782 6.657 -7.977 1.00 0.00 H new ATOM 0 HB VAL A 42 6.818 8.342 -6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.675 9.422 -5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.683 8.763 -7.490 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.823 7.901 -6.192 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.006 8.343 -4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.210 6.776 -4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.984 6.900 -4.414 1.00 0.00 H new ATOM 597 N PRO A 43 8.290 6.260 -7.789 1.00 0.00 N ATOM 598 CA PRO A 43 9.679 5.792 -7.843 1.00 0.00 C ATOM 599 C PRO A 43 10.516 6.327 -6.686 1.00 0.00 C ATOM 600 O PRO A 43 10.698 7.535 -6.546 1.00 0.00 O ATOM 601 CB PRO A 43 10.189 6.348 -9.174 1.00 0.00 C ATOM 602 CG PRO A 43 9.336 7.540 -9.439 1.00 0.00 C ATOM 603 CD PRO A 43 7.985 7.218 -8.865 1.00 0.00 C ATOM 0 HA PRO A 43 9.747 4.707 -7.765 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.242 6.621 -9.111 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.098 5.611 -9.972 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.756 8.432 -8.973 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.268 7.741 -10.508 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.489 8.109 -8.481 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.323 6.783 -9.614 1.00 0.00 H new ATOM 611 N ASN A 44 11.023 5.419 -5.859 1.00 0.00 N ATOM 612 CA ASN A 44 11.841 5.801 -4.713 1.00 0.00 C ATOM 613 C ASN A 44 10.970 6.300 -3.565 1.00 0.00 C ATOM 614 O ASN A 44 11.404 7.113 -2.751 1.00 0.00 O ATOM 615 CB ASN A 44 12.845 6.883 -5.115 1.00 0.00 C ATOM 616 CG ASN A 44 14.244 6.592 -4.609 1.00 0.00 C ATOM 617 OD1 ASN A 44 14.950 5.747 -5.158 1.00 0.00 O ATOM 618 ND2 ASN A 44 14.650 7.293 -3.556 1.00 0.00 N ATOM 0 H ASN A 44 10.882 4.414 -5.961 1.00 0.00 H new ATOM 0 HA ASN A 44 12.384 4.918 -4.375 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.866 6.970 -6.201 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.513 7.845 -4.725 1.00 0.00 H new ATOM 0 HD21 ASN A 44 15.582 7.141 -3.170 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.030 7.984 -3.133 1.00 0.00 H new ATOM 625 N GLY A 45 9.737 5.806 -3.506 1.00 0.00 N ATOM 626 CA GLY A 45 8.825 6.212 -2.454 1.00 0.00 C ATOM 627 C GLY A 45 8.618 5.128 -1.415 1.00 0.00 C ATOM 628 O GLY A 45 7.523 4.981 -0.870 1.00 0.00 O ATOM 0 H GLY A 45 9.354 5.132 -4.169 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.212 7.108 -1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.864 6.478 -2.894 1.00 0.00 H new ATOM 632 N MET A 46 9.670 4.364 -1.140 1.00 0.00 N ATOM 633 CA MET A 46 9.598 3.287 -0.159 1.00 0.00 C ATOM 634 C MET A 46 10.716 3.414 0.871 1.00 0.00 C ATOM 635 O MET A 46 11.857 3.728 0.528 1.00 0.00 O ATOM 636 CB MET A 46 9.681 1.928 -0.857 1.00 0.00 C ATOM 637 CG MET A 46 8.527 1.661 -1.809 1.00 0.00 C ATOM 638 SD MET A 46 9.051 1.598 -3.533 1.00 0.00 S ATOM 639 CE MET A 46 7.718 0.647 -4.258 1.00 0.00 C ATOM 0 H MET A 46 10.583 4.471 -1.583 1.00 0.00 H new ATOM 0 HA MET A 46 8.642 3.363 0.359 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.618 1.870 -1.410 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.707 1.142 -0.102 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.052 0.717 -1.543 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.775 2.441 -1.690 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.545 0.984 -5.280 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.987 -0.409 -4.265 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.810 0.787 -3.671 1.00 0.00 H new ATOM 649 N THR A 47 10.383 3.167 2.134 1.00 0.00 N ATOM 650 CA THR A 47 11.358 3.255 3.213 1.00 0.00 C ATOM 651 C THR A 47 11.408 1.959 4.015 1.00 0.00 C ATOM 652 O THR A 47 10.378 1.449 4.455 1.00 0.00 O ATOM 653 CB THR A 47 11.039 4.422 4.165 1.00 0.00 C ATOM 654 OG1 THR A 47 11.282 5.671 3.506 1.00 0.00 O ATOM 655 CG2 THR A 47 11.883 4.337 5.428 1.00 0.00 C ATOM 0 H THR A 47 9.444 2.904 2.435 1.00 0.00 H new ATOM 0 HA THR A 47 12.328 3.430 2.749 1.00 0.00 H new ATOM 0 HB THR A 47 9.988 4.357 4.445 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.075 6.409 4.117 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.640 5.172 6.085 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.675 3.398 5.942 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.939 4.379 5.163 1.00 0.00 H new ATOM 663 N LEU A 48 12.613 1.431 4.202 1.00 0.00 N ATOM 664 CA LEU A 48 12.798 0.195 4.953 1.00 0.00 C ATOM 665 C LEU A 48 13.925 0.339 5.971 1.00 0.00 C ATOM 666 O LEU A 48 15.100 0.135 5.664 1.00 0.00 O ATOM 667 CB LEU A 48 13.100 -0.963 4.000 1.00 0.00 C ATOM 668 CG LEU A 48 11.910 -1.844 3.617 1.00 0.00 C ATOM 669 CD1 LEU A 48 11.660 -1.782 2.118 1.00 0.00 C ATOM 670 CD2 LEU A 48 12.144 -3.280 4.061 1.00 0.00 C ATOM 0 H LEU A 48 13.476 1.840 3.844 1.00 0.00 H new ATOM 0 HA LEU A 48 11.874 -0.016 5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.532 -0.553 3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.862 -1.594 4.457 1.00 0.00 H new ATOM 0 HG LEU A 48 11.024 -1.467 4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.810 -2.415 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.446 -0.754 1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.545 -2.133 1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.287 -3.892 3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.041 -3.668 3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.272 -3.310 5.143 1.00 0.00 H new ATOM 682 N PRO A 49 13.562 0.696 7.212 1.00 0.00 N ATOM 683 CA PRO A 49 14.528 0.872 8.299 1.00 0.00 C ATOM 684 C PRO A 49 15.137 -0.450 8.753 1.00 0.00 C ATOM 685 O PRO A 49 14.741 -1.520 8.290 1.00 0.00 O ATOM 686 CB PRO A 49 13.690 1.488 9.422 1.00 0.00 C ATOM 687 CG PRO A 49 12.296 1.039 9.144 1.00 0.00 C ATOM 688 CD PRO A 49 12.180 0.955 7.647 1.00 0.00 C ATOM 0 HA PRO A 49 15.376 1.486 7.995 1.00 0.00 H new ATOM 0 HB2 PRO A 49 14.028 1.147 10.401 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.764 2.576 9.420 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.098 0.072 9.606 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.570 1.742 9.553 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.506 0.155 7.340 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.791 1.880 7.221 1.00 0.00 H new ATOM 696 N VAL A 50 16.104 -0.370 9.663 1.00 0.00 N ATOM 697 CA VAL A 50 16.766 -1.561 10.181 1.00 0.00 C ATOM 698 C VAL A 50 17.179 -1.371 11.636 1.00 0.00 C ATOM 699 O VAL A 50 16.967 -0.308 12.218 1.00 0.00 O ATOM 700 CB VAL A 50 18.011 -1.917 9.348 1.00 0.00 C ATOM 701 CG1 VAL A 50 17.613 -2.315 7.935 1.00 0.00 C ATOM 702 CG2 VAL A 50 18.989 -0.752 9.326 1.00 0.00 C ATOM 0 H VAL A 50 16.446 0.507 10.056 1.00 0.00 H new ATOM 0 HA VAL A 50 16.047 -2.378 10.114 1.00 0.00 H new ATOM 0 HB VAL A 50 18.506 -2.769 9.814 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.506 -2.563 7.362 1.00 0.00 H new ATOM 0 HG12 VAL A 50 16.954 -3.182 7.973 1.00 0.00 H new ATOM 0 HG13 VAL A 50 17.093 -1.485 7.456 1.00 0.00 H new ATOM 0 HG21 VAL A 50 19.863 -1.022 8.733 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.506 0.120 8.885 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.300 -0.519 10.344 1.00 0.00 H new ATOM 803 N THR A 57 13.519 -4.382 10.346 1.00 0.00 N ATOM 804 CA THR A 57 12.707 -4.282 11.553 1.00 0.00 C ATOM 805 C THR A 57 11.267 -4.703 11.284 1.00 0.00 C ATOM 806 O THR A 57 10.361 -4.370 12.046 1.00 0.00 O ATOM 807 CB THR A 57 12.715 -2.849 12.119 1.00 0.00 C ATOM 808 OG1 THR A 57 12.157 -1.942 11.161 1.00 0.00 O ATOM 809 CG2 THR A 57 14.129 -2.415 12.472 1.00 0.00 C ATOM 0 HA THR A 57 13.148 -4.956 12.287 1.00 0.00 H new ATOM 0 HB THR A 57 12.111 -2.836 13.026 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.317 -2.283 10.256 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.110 -1.400 12.870 1.00 0.00 H new ATOM 0 HG22 THR A 57 14.540 -3.091 13.222 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.752 -2.443 11.578 1.00 0.00 H new ATOM 817 N GLY A 58 11.063 -5.437 10.194 1.00 0.00 N ATOM 818 CA GLY A 58 9.731 -5.891 9.844 1.00 0.00 C ATOM 819 C GLY A 58 8.781 -4.743 9.565 1.00 0.00 C ATOM 820 O GLY A 58 7.579 -4.949 9.404 1.00 0.00 O ATOM 0 H GLY A 58 11.797 -5.725 9.547 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.789 -6.533 8.965 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.333 -6.499 10.656 1.00 0.00 H new ATOM 824 N GLU A 59 9.323 -3.530 9.507 1.00 0.00 N ATOM 825 CA GLU A 59 8.514 -2.345 9.247 1.00 0.00 C ATOM 826 C GLU A 59 8.936 -1.674 7.943 1.00 0.00 C ATOM 827 O GLU A 59 10.115 -1.662 7.592 1.00 0.00 O ATOM 828 CB GLU A 59 8.636 -1.353 10.406 1.00 0.00 C ATOM 829 CG GLU A 59 7.818 -1.741 11.628 1.00 0.00 C ATOM 830 CD GLU A 59 8.199 -0.945 12.861 1.00 0.00 C ATOM 831 OE1 GLU A 59 8.520 0.253 12.718 1.00 0.00 O ATOM 832 OE2 GLU A 59 8.175 -1.522 13.968 1.00 0.00 O ATOM 0 H GLU A 59 10.317 -3.343 9.636 1.00 0.00 H new ATOM 0 HA GLU A 59 7.474 -2.659 9.154 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.684 -1.269 10.693 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.319 -0.368 10.065 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.760 -1.590 11.415 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.954 -2.804 11.829 1.00 0.00 H new ATOM 839 N ALA A 60 7.963 -1.116 7.229 1.00 0.00 N ATOM 840 CA ALA A 60 8.232 -0.443 5.966 1.00 0.00 C ATOM 841 C ALA A 60 7.174 0.616 5.671 1.00 0.00 C ATOM 842 O ALA A 60 6.041 0.523 6.142 1.00 0.00 O ATOM 843 CB ALA A 60 8.299 -1.455 4.832 1.00 0.00 C ATOM 0 H ALA A 60 6.981 -1.117 7.505 1.00 0.00 H new ATOM 0 HA ALA A 60 9.197 0.058 6.049 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.501 -0.938 3.894 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.096 -2.171 5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.348 -1.982 4.758 1.00 0.00 H new ATOM 849 N PHE A 61 7.553 1.623 4.890 1.00 0.00 N ATOM 850 CA PHE A 61 6.637 2.700 4.535 1.00 0.00 C ATOM 851 C PHE A 61 6.632 2.935 3.028 1.00 0.00 C ATOM 852 O PHE A 61 7.646 3.317 2.444 1.00 0.00 O ATOM 853 CB PHE A 61 7.026 3.990 5.262 1.00 0.00 C ATOM 854 CG PHE A 61 6.867 3.909 6.753 1.00 0.00 C ATOM 855 CD1 PHE A 61 5.648 4.191 7.349 1.00 0.00 C ATOM 856 CD2 PHE A 61 7.936 3.551 7.559 1.00 0.00 C ATOM 857 CE1 PHE A 61 5.498 4.117 8.722 1.00 0.00 C ATOM 858 CE2 PHE A 61 7.791 3.474 8.932 1.00 0.00 C ATOM 859 CZ PHE A 61 6.571 3.759 9.514 1.00 0.00 C ATOM 0 H PHE A 61 8.487 1.715 4.492 1.00 0.00 H new ATOM 0 HA PHE A 61 5.634 2.406 4.843 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.063 4.231 5.028 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.415 4.809 4.883 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.806 4.472 6.734 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.893 3.330 7.110 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.543 4.339 9.174 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.631 3.191 9.549 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.457 3.702 10.586 1.00 0.00 H new ATOM 869 N VAL A 62 5.483 2.702 2.402 1.00 0.00 N ATOM 870 CA VAL A 62 5.344 2.888 0.963 1.00 0.00 C ATOM 871 C VAL A 62 4.515 4.128 0.647 1.00 0.00 C ATOM 872 O VAL A 62 3.588 4.469 1.379 1.00 0.00 O ATOM 873 CB VAL A 62 4.688 1.662 0.300 1.00 0.00 C ATOM 874 CG1 VAL A 62 4.587 1.859 -1.205 1.00 0.00 C ATOM 875 CG2 VAL A 62 5.468 0.398 0.629 1.00 0.00 C ATOM 0 H VAL A 62 4.634 2.384 2.870 1.00 0.00 H new ATOM 0 HA VAL A 62 6.349 3.015 0.561 1.00 0.00 H new ATOM 0 HB VAL A 62 3.679 1.553 0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.121 0.983 -1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.983 2.741 -1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.585 1.994 -1.622 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.991 -0.458 0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.490 0.495 0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.483 0.251 1.709 1.00 0.00 H new ATOM 885 N GLN A 63 4.856 4.796 -0.451 1.00 0.00 N ATOM 886 CA GLN A 63 4.143 5.998 -0.864 1.00 0.00 C ATOM 887 C GLN A 63 3.438 5.781 -2.200 1.00 0.00 C ATOM 888 O GLN A 63 4.079 5.721 -3.249 1.00 0.00 O ATOM 889 CB GLN A 63 5.109 7.180 -0.971 1.00 0.00 C ATOM 890 CG GLN A 63 4.421 8.505 -1.252 1.00 0.00 C ATOM 891 CD GLN A 63 5.361 9.688 -1.130 1.00 0.00 C ATOM 892 OE1 GLN A 63 6.485 9.555 -0.644 1.00 0.00 O ATOM 893 NE2 GLN A 63 4.907 10.855 -1.573 1.00 0.00 N ATOM 0 H GLN A 63 5.621 4.525 -1.069 1.00 0.00 H new ATOM 0 HA GLN A 63 3.390 6.220 -0.108 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.673 7.263 -0.042 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.829 6.979 -1.764 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.998 8.484 -2.256 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.590 8.633 -0.558 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.969 10.920 -1.968 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.496 11.686 -1.518 1.00 0.00 H new ATOM 902 N PHE A 64 2.115 5.665 -2.153 1.00 0.00 N ATOM 903 CA PHE A 64 1.323 5.453 -3.359 1.00 0.00 C ATOM 904 C PHE A 64 1.207 6.742 -4.167 1.00 0.00 C ATOM 905 O PHE A 64 1.309 7.840 -3.622 1.00 0.00 O ATOM 906 CB PHE A 64 -0.072 4.939 -2.994 1.00 0.00 C ATOM 907 CG PHE A 64 -0.086 3.502 -2.558 1.00 0.00 C ATOM 908 CD1 PHE A 64 0.093 2.483 -3.480 1.00 0.00 C ATOM 909 CD2 PHE A 64 -0.278 3.172 -1.226 1.00 0.00 C ATOM 910 CE1 PHE A 64 0.078 1.160 -3.080 1.00 0.00 C ATOM 911 CE2 PHE A 64 -0.293 1.850 -0.822 1.00 0.00 C ATOM 912 CZ PHE A 64 -0.113 0.843 -1.750 1.00 0.00 C ATOM 0 H PHE A 64 1.569 5.714 -1.293 1.00 0.00 H new ATOM 0 HA PHE A 64 1.830 4.706 -3.970 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.480 5.557 -2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.730 5.056 -3.855 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.246 2.725 -4.521 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.417 3.956 -0.496 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.216 0.374 -3.808 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.445 1.605 0.219 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.122 -0.190 -1.436 1.00 0.00 H new ATOM 922 N ALA A 65 0.996 6.599 -5.471 1.00 0.00 N ATOM 923 CA ALA A 65 0.865 7.751 -6.355 1.00 0.00 C ATOM 924 C ALA A 65 -0.091 8.784 -5.772 1.00 0.00 C ATOM 925 O ALA A 65 0.035 9.981 -6.036 1.00 0.00 O ATOM 926 CB ALA A 65 0.391 7.308 -7.731 1.00 0.00 C ATOM 0 H ALA A 65 0.912 5.697 -5.939 1.00 0.00 H new ATOM 0 HA ALA A 65 1.846 8.217 -6.453 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.297 8.178 -8.381 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.113 6.612 -8.158 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.578 6.816 -7.641 1.00 0.00 H new ATOM 932 N SER A 66 -1.049 8.316 -4.977 1.00 0.00 N ATOM 933 CA SER A 66 -2.030 9.201 -4.360 1.00 0.00 C ATOM 934 C SER A 66 -2.779 8.484 -3.241 1.00 0.00 C ATOM 935 O SER A 66 -2.430 7.366 -2.863 1.00 0.00 O ATOM 936 CB SER A 66 -3.020 9.709 -5.409 1.00 0.00 C ATOM 937 OG SER A 66 -3.140 8.794 -6.483 1.00 0.00 O ATOM 0 H SER A 66 -1.166 7.330 -4.745 1.00 0.00 H new ATOM 0 HA SER A 66 -1.499 10.051 -3.931 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.996 9.863 -4.948 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.689 10.677 -5.787 1.00 0.00 H new ATOM 0 HG SER A 66 -3.780 9.141 -7.139 1.00 0.00 H new ATOM 943 N GLN A 67 -3.812 9.136 -2.716 1.00 0.00 N ATOM 944 CA GLN A 67 -4.611 8.562 -1.641 1.00 0.00 C ATOM 945 C GLN A 67 -5.577 7.513 -2.181 1.00 0.00 C ATOM 946 O GLN A 67 -5.726 6.437 -1.601 1.00 0.00 O ATOM 947 CB GLN A 67 -5.389 9.659 -0.912 1.00 0.00 C ATOM 948 CG GLN A 67 -5.578 9.388 0.572 1.00 0.00 C ATOM 949 CD GLN A 67 -6.688 8.395 0.847 1.00 0.00 C ATOM 950 OE1 GLN A 67 -7.867 8.752 0.866 1.00 0.00 O ATOM 951 NE2 GLN A 67 -6.319 7.137 1.061 1.00 0.00 N ATOM 0 H GLN A 67 -4.115 10.062 -3.018 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.933 8.079 -0.938 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.866 10.607 -1.036 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.367 9.771 -1.380 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -4.645 9.009 0.990 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.799 10.325 1.083 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -5.331 6.884 1.036 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.023 6.424 1.250 1.00 0.00 H new ATOM 960 N GLU A 68 -6.230 7.832 -3.293 1.00 0.00 N ATOM 961 CA GLU A 68 -7.183 6.916 -3.909 1.00 0.00 C ATOM 962 C GLU A 68 -6.541 5.556 -4.166 1.00 0.00 C ATOM 963 O GLU A 68 -7.219 4.528 -4.163 1.00 0.00 O ATOM 964 CB GLU A 68 -7.709 7.500 -5.222 1.00 0.00 C ATOM 965 CG GLU A 68 -6.664 7.558 -6.325 1.00 0.00 C ATOM 966 CD GLU A 68 -7.250 7.288 -7.697 1.00 0.00 C ATOM 967 OE1 GLU A 68 -8.061 8.112 -8.170 1.00 0.00 O ATOM 968 OE2 GLU A 68 -6.896 6.252 -8.299 1.00 0.00 O ATOM 0 H GLU A 68 -6.117 8.718 -3.786 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.017 6.781 -3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.553 6.901 -5.564 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.086 8.506 -5.037 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.192 8.541 -6.322 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.881 6.828 -6.118 1.00 0.00 H new ATOM 975 N ILE A 69 -5.231 5.559 -4.388 1.00 0.00 N ATOM 976 CA ILE A 69 -4.498 4.326 -4.647 1.00 0.00 C ATOM 977 C ILE A 69 -4.111 3.634 -3.344 1.00 0.00 C ATOM 978 O ILE A 69 -3.994 2.410 -3.291 1.00 0.00 O ATOM 979 CB ILE A 69 -3.224 4.590 -5.472 1.00 0.00 C ATOM 980 CG1 ILE A 69 -3.592 5.053 -6.883 1.00 0.00 C ATOM 981 CG2 ILE A 69 -2.360 3.340 -5.527 1.00 0.00 C ATOM 982 CD1 ILE A 69 -2.394 5.418 -7.731 1.00 0.00 C ATOM 0 H ILE A 69 -4.656 6.401 -4.394 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.163 3.678 -5.218 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.652 5.381 -4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.152 4.262 -7.382 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.254 5.916 -6.812 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.464 3.543 -6.113 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.074 3.050 -4.516 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.922 2.530 -5.991 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.730 5.737 -8.718 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.845 6.230 -7.255 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.742 4.550 -7.833 1.00 0.00 H new ATOM 994 N ALA A 70 -3.915 4.426 -2.295 1.00 0.00 N ATOM 995 CA ALA A 70 -3.546 3.889 -0.991 1.00 0.00 C ATOM 996 C ALA A 70 -4.651 3.002 -0.429 1.00 0.00 C ATOM 997 O ALA A 70 -4.389 1.904 0.061 1.00 0.00 O ATOM 998 CB ALA A 70 -3.232 5.021 -0.023 1.00 0.00 C ATOM 0 H ALA A 70 -4.006 5.442 -2.323 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.654 3.276 -1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.958 4.605 0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.403 5.612 -0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.110 5.657 0.090 1.00 0.00 H new ATOM 1004 N GLU A 71 -5.888 3.486 -0.503 1.00 0.00 N ATOM 1005 CA GLU A 71 -7.033 2.736 -0.001 1.00 0.00 C ATOM 1006 C GLU A 71 -7.113 1.360 -0.657 1.00 0.00 C ATOM 1007 O GLU A 71 -7.331 0.351 0.013 1.00 0.00 O ATOM 1008 CB GLU A 71 -8.328 3.510 -0.252 1.00 0.00 C ATOM 1009 CG GLU A 71 -8.674 4.492 0.856 1.00 0.00 C ATOM 1010 CD GLU A 71 -9.960 4.133 1.573 1.00 0.00 C ATOM 1011 OE1 GLU A 71 -11.040 4.279 0.963 1.00 0.00 O ATOM 1012 OE2 GLU A 71 -9.888 3.705 2.744 1.00 0.00 O ATOM 0 H GLU A 71 -6.122 4.394 -0.906 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.903 2.600 1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.240 4.053 -1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.148 2.802 -0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.857 4.523 1.577 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.765 5.493 0.434 1.00 0.00 H new ATOM 1019 N LYS A 72 -6.937 1.329 -1.974 1.00 0.00 N ATOM 1020 CA LYS A 72 -6.990 0.080 -2.724 1.00 0.00 C ATOM 1021 C LYS A 72 -5.999 -0.935 -2.161 1.00 0.00 C ATOM 1022 O LYS A 72 -6.259 -2.138 -2.165 1.00 0.00 O ATOM 1023 CB LYS A 72 -6.688 0.336 -4.202 1.00 0.00 C ATOM 1024 CG LYS A 72 -7.608 1.361 -4.842 1.00 0.00 C ATOM 1025 CD LYS A 72 -7.587 1.261 -6.358 1.00 0.00 C ATOM 1026 CE LYS A 72 -6.694 2.328 -6.974 1.00 0.00 C ATOM 1027 NZ LYS A 72 -6.926 2.465 -8.439 1.00 0.00 N ATOM 0 H LYS A 72 -6.756 2.155 -2.544 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.996 -0.329 -2.630 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.657 0.675 -4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.768 -0.604 -4.749 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.626 1.213 -4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.305 2.363 -4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.233 0.273 -6.654 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.601 1.365 -6.745 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.880 3.284 -6.485 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.649 2.076 -6.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.299 3.201 -8.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.724 1.559 -8.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.917 2.730 -8.610 1.00 0.00 H new ATOM 1041 N ALA A 73 -4.865 -0.440 -1.676 1.00 0.00 N ATOM 1042 CA ALA A 73 -3.838 -1.304 -1.106 1.00 0.00 C ATOM 1043 C ALA A 73 -4.161 -1.660 0.341 1.00 0.00 C ATOM 1044 O ALA A 73 -3.778 -2.723 0.830 1.00 0.00 O ATOM 1045 CB ALA A 73 -2.476 -0.632 -1.194 1.00 0.00 C ATOM 0 H ALA A 73 -4.634 0.554 -1.666 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.814 -2.228 -1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.718 -1.288 -0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.235 -0.434 -2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.497 0.308 -0.642 1.00 0.00 H new ATOM 1051 N LEU A 74 -4.868 -0.766 1.022 1.00 0.00 N ATOM 1052 CA LEU A 74 -5.243 -0.985 2.415 1.00 0.00 C ATOM 1053 C LEU A 74 -5.964 -2.320 2.580 1.00 0.00 C ATOM 1054 O LEU A 74 -5.759 -3.030 3.564 1.00 0.00 O ATOM 1055 CB LEU A 74 -6.135 0.154 2.909 1.00 0.00 C ATOM 1056 CG LEU A 74 -5.456 1.208 3.783 1.00 0.00 C ATOM 1057 CD1 LEU A 74 -6.485 2.163 4.367 1.00 0.00 C ATOM 1058 CD2 LEU A 74 -4.651 0.545 4.892 1.00 0.00 C ATOM 0 H LEU A 74 -5.194 0.119 0.632 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.331 -1.008 3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.566 0.653 2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.963 -0.278 3.472 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.772 1.782 3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.982 2.906 4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.016 2.665 3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.196 1.604 4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.175 1.311 5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.315 -0.056 5.514 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.886 -0.096 4.453 1.00 0.00 H new ATOM 1070 N LYS A 75 -6.807 -2.655 1.610 1.00 0.00 N ATOM 1071 CA LYS A 75 -7.556 -3.905 1.645 1.00 0.00 C ATOM 1072 C LYS A 75 -6.614 -5.105 1.630 1.00 0.00 C ATOM 1073 O LYS A 75 -7.017 -6.228 1.933 1.00 0.00 O ATOM 1074 CB LYS A 75 -8.517 -3.982 0.455 1.00 0.00 C ATOM 1075 CG LYS A 75 -9.486 -2.815 0.381 1.00 0.00 C ATOM 1076 CD LYS A 75 -10.831 -3.168 0.996 1.00 0.00 C ATOM 1077 CE LYS A 75 -11.982 -2.581 0.194 1.00 0.00 C ATOM 1078 NZ LYS A 75 -13.289 -2.768 0.881 1.00 0.00 N ATOM 0 H LYS A 75 -6.989 -2.078 0.789 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.131 -3.929 2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.938 -4.022 -0.467 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.084 -4.911 0.516 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.062 -1.955 0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.626 -2.522 -0.660 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.936 -4.252 1.046 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.873 -2.796 2.020 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.806 -1.518 0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.017 -3.052 -0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.048 -2.354 0.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.469 -3.784 1.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.265 -2.297 1.808 1.00 0.00 H new ATOM 1092 N LYS A 76 -5.357 -4.859 1.276 1.00 0.00 N ATOM 1093 CA LYS A 76 -4.356 -5.918 1.223 1.00 0.00 C ATOM 1094 C LYS A 76 -3.723 -6.136 2.594 1.00 0.00 C ATOM 1095 O LYS A 76 -2.554 -6.512 2.697 1.00 0.00 O ATOM 1096 CB LYS A 76 -3.273 -5.574 0.199 1.00 0.00 C ATOM 1097 CG LYS A 76 -3.824 -5.155 -1.153 1.00 0.00 C ATOM 1098 CD LYS A 76 -2.729 -4.624 -2.062 1.00 0.00 C ATOM 1099 CE LYS A 76 -1.799 -5.736 -2.522 1.00 0.00 C ATOM 1100 NZ LYS A 76 -1.888 -5.962 -3.990 1.00 0.00 N ATOM 0 H LYS A 76 -5.007 -3.935 1.021 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.854 -6.839 0.920 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.654 -4.769 0.595 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.624 -6.439 0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.311 -6.007 -1.628 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.586 -4.388 -1.014 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.178 -4.141 -2.930 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.154 -3.862 -1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.773 -5.485 -2.255 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.048 -6.658 -1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.988 -6.352 -4.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.656 -6.633 -4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.082 -5.059 -4.469 1.00 0.00 H new ATOM 1114 N HIS A 77 -4.502 -5.901 3.645 1.00 0.00 N ATOM 1115 CA HIS A 77 -4.017 -6.074 5.010 1.00 0.00 C ATOM 1116 C HIS A 77 -3.918 -7.554 5.368 1.00 0.00 C ATOM 1117 O HIS A 77 -4.623 -8.389 4.801 1.00 0.00 O ATOM 1118 CB HIS A 77 -4.943 -5.360 5.996 1.00 0.00 C ATOM 1119 CG HIS A 77 -4.775 -5.818 7.413 1.00 0.00 C ATOM 1120 ND1 HIS A 77 -3.888 -5.234 8.292 1.00 0.00 N ATOM 1121 CD2 HIS A 77 -5.389 -6.808 8.103 1.00 0.00 C ATOM 1122 CE1 HIS A 77 -3.962 -5.846 9.460 1.00 0.00 C ATOM 1123 NE2 HIS A 77 -4.866 -6.805 9.372 1.00 0.00 N ATOM 0 H HIS A 77 -5.471 -5.590 3.578 1.00 0.00 H new ATOM 0 HA HIS A 77 -3.021 -5.635 5.074 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -4.757 -4.287 5.945 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -5.977 -5.519 5.691 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -6.149 -7.476 7.725 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.382 -5.603 10.338 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -5.132 -7.440 10.125 1.00 0.00 H new ATOM 1131 N LYS A 78 -3.038 -7.872 6.311 1.00 0.00 N ATOM 1132 CA LYS A 78 -2.844 -9.250 6.744 1.00 0.00 C ATOM 1133 C LYS A 78 -2.393 -10.129 5.581 1.00 0.00 C ATOM 1134 O LYS A 78 -2.348 -11.352 5.699 1.00 0.00 O ATOM 1135 CB LYS A 78 -4.140 -9.804 7.343 1.00 0.00 C ATOM 1136 CG LYS A 78 -4.165 -9.787 8.861 1.00 0.00 C ATOM 1137 CD LYS A 78 -3.520 -11.033 9.444 1.00 0.00 C ATOM 1138 CE LYS A 78 -2.542 -10.686 10.557 1.00 0.00 C ATOM 1139 NZ LYS A 78 -2.872 -11.396 11.824 1.00 0.00 N ATOM 0 H LYS A 78 -2.447 -7.193 6.791 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.064 -9.259 7.506 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.982 -9.222 6.968 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.281 -10.828 6.997 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.643 -8.902 9.224 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.196 -9.714 9.208 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.293 -11.697 9.831 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.998 -11.577 8.656 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.530 -10.947 10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.554 -9.610 10.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.184 -11.134 12.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.828 -11.127 12.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.835 -12.423 11.666 1.00 0.00 H new ATOM 1153 N GLU A 79 -2.059 -9.495 4.462 1.00 0.00 N ATOM 1154 CA GLU A 79 -1.610 -10.221 3.279 1.00 0.00 C ATOM 1155 C GLU A 79 -0.187 -10.738 3.466 1.00 0.00 C ATOM 1156 O GLU A 79 0.764 -9.959 3.543 1.00 0.00 O ATOM 1157 CB GLU A 79 -1.678 -9.320 2.045 1.00 0.00 C ATOM 1158 CG GLU A 79 -3.096 -8.970 1.624 1.00 0.00 C ATOM 1159 CD GLU A 79 -3.868 -10.173 1.119 1.00 0.00 C ATOM 1160 OE1 GLU A 79 -4.410 -10.924 1.958 1.00 0.00 O ATOM 1161 OE2 GLU A 79 -3.932 -10.365 -0.113 1.00 0.00 O ATOM 0 H GLU A 79 -2.091 -8.482 4.349 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.272 -11.074 3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.130 -8.399 2.247 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.174 -9.816 1.215 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.625 -8.533 2.471 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.062 -8.211 0.843 1.00 0.00 H new ATOM 1168 N ARG A 80 -0.049 -12.058 3.540 1.00 0.00 N ATOM 1169 CA ARG A 80 1.257 -12.681 3.720 1.00 0.00 C ATOM 1170 C ARG A 80 1.993 -12.796 2.387 1.00 0.00 C ATOM 1171 O ARG A 80 1.384 -13.072 1.353 1.00 0.00 O ATOM 1172 CB ARG A 80 1.104 -14.066 4.350 1.00 0.00 C ATOM 1173 CG ARG A 80 0.468 -15.090 3.425 1.00 0.00 C ATOM 1174 CD ARG A 80 1.514 -15.990 2.788 1.00 0.00 C ATOM 1175 NE ARG A 80 0.913 -16.998 1.918 1.00 0.00 N ATOM 1176 CZ ARG A 80 0.443 -18.161 2.357 1.00 0.00 C ATOM 1177 NH1 ARG A 80 0.504 -18.459 3.647 1.00 0.00 N ATOM 1178 NH2 ARG A 80 -0.090 -19.026 1.504 1.00 0.00 N ATOM 0 H ARG A 80 -0.825 -12.716 3.478 1.00 0.00 H new ATOM 0 HA ARG A 80 1.843 -12.049 4.387 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.086 -14.427 4.657 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.500 -13.980 5.253 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.243 -15.697 3.986 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.096 -14.577 2.646 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.212 -15.383 2.211 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.092 -16.484 3.569 1.00 0.00 H new ATOM 0 HE ARG A 80 0.851 -16.798 0.920 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.912 -17.795 4.305 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.143 -19.352 3.982 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.139 -18.799 0.511 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.451 -19.919 1.841 1.00 0.00 H new ATOM 1192 N ILE A 81 3.304 -12.583 2.421 1.00 0.00 N ATOM 1193 CA ILE A 81 4.121 -12.663 1.217 1.00 0.00 C ATOM 1194 C ILE A 81 5.096 -13.834 1.291 1.00 0.00 C ATOM 1195 O ILE A 81 6.231 -13.682 1.743 1.00 0.00 O ATOM 1196 CB ILE A 81 4.914 -11.363 0.986 1.00 0.00 C ATOM 1197 CG1 ILE A 81 3.960 -10.204 0.688 1.00 0.00 C ATOM 1198 CG2 ILE A 81 5.908 -11.543 -0.151 1.00 0.00 C ATOM 1199 CD1 ILE A 81 4.603 -8.842 0.829 1.00 0.00 C ATOM 0 H ILE A 81 3.823 -12.354 3.269 1.00 0.00 H new ATOM 0 HA ILE A 81 3.437 -12.814 0.382 1.00 0.00 H new ATOM 0 HB ILE A 81 5.469 -11.128 1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.575 -10.312 -0.326 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.105 -10.265 1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.460 -10.615 -0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.604 -12.344 0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.373 -11.799 -1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.869 -8.068 0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.963 -8.714 1.850 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.440 -8.761 0.136 1.00 0.00 H new ATOM 1211 N GLY A 82 4.645 -15.002 0.843 1.00 0.00 N ATOM 1212 CA GLY A 82 5.491 -16.181 0.865 1.00 0.00 C ATOM 1213 C GLY A 82 5.246 -17.046 2.086 1.00 0.00 C ATOM 1214 O GLY A 82 5.121 -18.266 1.976 1.00 0.00 O ATOM 0 H GLY A 82 3.709 -15.153 0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.313 -16.769 -0.035 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.537 -15.875 0.844 1.00 0.00 H new ATOM 1218 N HIS A 83 5.178 -16.414 3.253 1.00 0.00 N ATOM 1219 CA HIS A 83 4.948 -17.135 4.500 1.00 0.00 C ATOM 1220 C HIS A 83 5.061 -16.197 5.699 1.00 0.00 C ATOM 1221 O HIS A 83 5.546 -16.588 6.761 1.00 0.00 O ATOM 1222 CB HIS A 83 5.946 -18.285 4.641 1.00 0.00 C ATOM 1223 CG HIS A 83 7.364 -17.884 4.373 1.00 0.00 C ATOM 1224 ND1 HIS A 83 7.899 -16.684 4.791 1.00 0.00 N ATOM 1225 CD2 HIS A 83 8.359 -18.533 3.724 1.00 0.00 C ATOM 1226 CE1 HIS A 83 9.162 -16.611 4.411 1.00 0.00 C ATOM 1227 NE2 HIS A 83 9.466 -17.721 3.761 1.00 0.00 N ATOM 0 H HIS A 83 5.279 -15.405 3.361 1.00 0.00 H new ATOM 0 HA HIS A 83 3.937 -17.543 4.474 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.877 -18.693 5.649 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.667 -19.084 3.954 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.294 -19.508 3.263 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.832 -15.785 4.599 1.00 0.00 H new ATOM 0 HE2 HIS A 83 10.375 -17.939 3.353 1.00 0.00 H new ATOM 1235 N ARG A 84 4.613 -14.959 5.520 1.00 0.00 N ATOM 1236 CA ARG A 84 4.666 -13.966 6.586 1.00 0.00 C ATOM 1237 C ARG A 84 3.581 -12.909 6.399 1.00 0.00 C ATOM 1238 O ARG A 84 3.699 -12.028 5.547 1.00 0.00 O ATOM 1239 CB ARG A 84 6.042 -13.299 6.622 1.00 0.00 C ATOM 1240 CG ARG A 84 6.898 -13.733 7.801 1.00 0.00 C ATOM 1241 CD ARG A 84 6.758 -12.775 8.973 1.00 0.00 C ATOM 1242 NE ARG A 84 7.622 -13.148 10.091 1.00 0.00 N ATOM 1243 CZ ARG A 84 7.350 -14.143 10.927 1.00 0.00 C ATOM 1244 NH1 ARG A 84 6.246 -14.862 10.775 1.00 0.00 N ATOM 1245 NH2 ARG A 84 8.185 -14.423 11.921 1.00 0.00 N ATOM 0 H ARG A 84 4.209 -14.620 4.647 1.00 0.00 H new ATOM 0 HA ARG A 84 4.492 -14.477 7.533 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.571 -13.526 5.696 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.911 -12.217 6.657 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.608 -14.736 8.113 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.943 -13.784 7.494 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.004 -11.764 8.647 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.720 -12.759 9.306 1.00 0.00 H new ATOM 0 HE ARG A 84 8.480 -12.616 10.237 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.601 -14.652 10.013 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.042 -15.625 11.420 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.036 -13.874 12.042 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.976 -15.187 12.563 1.00 0.00 H new ATOM 1259 N TYR A 85 2.526 -13.004 7.200 1.00 0.00 N ATOM 1260 CA TYR A 85 1.419 -12.058 7.120 1.00 0.00 C ATOM 1261 C TYR A 85 1.920 -10.622 7.228 1.00 0.00 C ATOM 1262 O TYR A 85 2.750 -10.305 8.081 1.00 0.00 O ATOM 1263 CB TYR A 85 0.401 -12.339 8.226 1.00 0.00 C ATOM 1264 CG TYR A 85 -0.218 -13.717 8.145 1.00 0.00 C ATOM 1265 CD1 TYR A 85 -1.215 -13.997 7.218 1.00 0.00 C ATOM 1266 CD2 TYR A 85 0.193 -14.736 8.994 1.00 0.00 C ATOM 1267 CE1 TYR A 85 -1.784 -15.255 7.140 1.00 0.00 C ATOM 1268 CE2 TYR A 85 -0.370 -15.996 8.922 1.00 0.00 C ATOM 1269 CZ TYR A 85 -1.358 -16.250 7.994 1.00 0.00 C ATOM 1270 OH TYR A 85 -1.921 -17.503 7.920 1.00 0.00 O ATOM 0 H TYR A 85 2.414 -13.726 7.912 1.00 0.00 H new ATOM 0 HA TYR A 85 0.937 -12.183 6.150 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.889 -12.225 9.194 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.391 -11.591 8.178 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.551 -13.220 6.548 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.966 -14.541 9.723 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -2.558 -15.457 6.414 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.038 -16.778 9.589 1.00 0.00 H new ATOM 0 HH TYR A 85 -1.508 -18.087 8.590 1.00 0.00 H new ATOM 1280 N ILE A 86 1.412 -9.757 6.358 1.00 0.00 N ATOM 1281 CA ILE A 86 1.805 -8.354 6.355 1.00 0.00 C ATOM 1282 C ILE A 86 0.671 -7.464 6.849 1.00 0.00 C ATOM 1283 O ILE A 86 -0.437 -7.501 6.316 1.00 0.00 O ATOM 1284 CB ILE A 86 2.231 -7.891 4.950 1.00 0.00 C ATOM 1285 CG1 ILE A 86 3.097 -8.959 4.278 1.00 0.00 C ATOM 1286 CG2 ILE A 86 2.981 -6.570 5.031 1.00 0.00 C ATOM 1287 CD1 ILE A 86 4.555 -8.896 4.678 1.00 0.00 C ATOM 0 H ILE A 86 0.726 -10.004 5.645 1.00 0.00 H new ATOM 0 HA ILE A 86 2.655 -8.264 7.031 1.00 0.00 H new ATOM 0 HB ILE A 86 1.335 -7.742 4.347 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.703 -9.944 4.527 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.021 -8.849 3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.275 -6.257 4.029 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.335 -5.812 5.474 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.871 -6.694 5.648 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.108 -9.682 4.163 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.966 -7.924 4.404 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.643 -9.036 5.755 1.00 0.00 H new ATOM 1299 N GLU A 87 0.957 -6.662 7.870 1.00 0.00 N ATOM 1300 CA GLU A 87 -0.041 -5.760 8.434 1.00 0.00 C ATOM 1301 C GLU A 87 0.124 -4.349 7.878 1.00 0.00 C ATOM 1302 O GLU A 87 1.102 -3.663 8.176 1.00 0.00 O ATOM 1303 CB GLU A 87 0.070 -5.734 9.961 1.00 0.00 C ATOM 1304 CG GLU A 87 -0.426 -7.005 10.629 1.00 0.00 C ATOM 1305 CD GLU A 87 0.165 -7.207 12.010 1.00 0.00 C ATOM 1306 OE1 GLU A 87 0.062 -6.280 12.841 1.00 0.00 O ATOM 1307 OE2 GLU A 87 0.731 -8.291 12.261 1.00 0.00 O ATOM 0 H GLU A 87 1.870 -6.618 8.323 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.027 -6.129 8.153 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.111 -5.570 10.238 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.499 -4.887 10.344 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.513 -6.971 10.705 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.177 -7.861 10.002 1.00 0.00 H new ATOM 1314 N ILE A 88 -0.839 -3.923 7.068 1.00 0.00 N ATOM 1315 CA ILE A 88 -0.802 -2.594 6.469 1.00 0.00 C ATOM 1316 C ILE A 88 -1.643 -1.607 7.270 1.00 0.00 C ATOM 1317 O ILE A 88 -2.768 -1.911 7.667 1.00 0.00 O ATOM 1318 CB ILE A 88 -1.305 -2.618 5.014 1.00 0.00 C ATOM 1319 CG1 ILE A 88 -0.408 -3.512 4.155 1.00 0.00 C ATOM 1320 CG2 ILE A 88 -1.352 -1.207 4.447 1.00 0.00 C ATOM 1321 CD1 ILE A 88 -1.173 -4.360 3.164 1.00 0.00 C ATOM 0 H ILE A 88 -1.655 -4.479 6.811 1.00 0.00 H new ATOM 0 HA ILE A 88 0.239 -2.272 6.479 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.315 -3.029 5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.303 -2.887 3.614 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.173 -4.164 4.807 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.709 -1.240 3.418 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.027 -0.596 5.046 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.353 -0.772 4.470 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.474 -4.968 2.590 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.865 -5.010 3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.733 -3.714 2.488 1.00 0.00 H new ATOM 1333 N PHE A 89 -1.091 -0.421 7.504 1.00 0.00 N ATOM 1334 CA PHE A 89 -1.791 0.614 8.258 1.00 0.00 C ATOM 1335 C PHE A 89 -1.537 1.992 7.655 1.00 0.00 C ATOM 1336 O PHE A 89 -0.403 2.472 7.630 1.00 0.00 O ATOM 1337 CB PHE A 89 -1.349 0.595 9.722 1.00 0.00 C ATOM 1338 CG PHE A 89 -1.598 -0.718 10.407 1.00 0.00 C ATOM 1339 CD1 PHE A 89 -2.878 -1.241 10.486 1.00 0.00 C ATOM 1340 CD2 PHE A 89 -0.552 -1.430 10.972 1.00 0.00 C ATOM 1341 CE1 PHE A 89 -3.110 -2.449 11.116 1.00 0.00 C ATOM 1342 CE2 PHE A 89 -0.777 -2.637 11.603 1.00 0.00 C ATOM 1343 CZ PHE A 89 -2.059 -3.149 11.675 1.00 0.00 C ATOM 0 H PHE A 89 -0.161 -0.152 7.183 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.860 0.406 8.206 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.285 0.827 9.775 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.874 1.383 10.262 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.704 -0.699 10.050 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.452 -1.036 10.918 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.113 -2.845 11.171 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.048 -3.181 12.040 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.238 -4.094 12.167 1.00 0.00 H new ATOM 1353 N LYS A 90 -2.600 2.624 7.168 1.00 0.00 N ATOM 1354 CA LYS A 90 -2.493 3.948 6.565 1.00 0.00 C ATOM 1355 C LYS A 90 -1.504 4.818 7.334 1.00 0.00 C ATOM 1356 O LYS A 90 -1.552 4.892 8.561 1.00 0.00 O ATOM 1357 CB LYS A 90 -3.866 4.625 6.531 1.00 0.00 C ATOM 1358 CG LYS A 90 -4.278 5.092 5.145 1.00 0.00 C ATOM 1359 CD LYS A 90 -3.443 6.274 4.683 1.00 0.00 C ATOM 1360 CE LYS A 90 -4.028 6.915 3.434 1.00 0.00 C ATOM 1361 NZ LYS A 90 -3.961 8.402 3.491 1.00 0.00 N ATOM 0 H LYS A 90 -3.545 2.241 7.179 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.127 3.829 5.545 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.615 3.929 6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.857 5.481 7.206 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.170 4.271 4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.332 5.371 5.152 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.386 7.015 5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.424 5.944 4.481 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.487 6.560 2.556 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.066 6.602 3.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.851 8.804 3.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.815 8.705 4.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.170 8.737 2.904 1.00 0.00 H new ATOM 1375 N SER A 91 -0.610 5.476 6.603 1.00 0.00 N ATOM 1376 CA SER A 91 0.392 6.339 7.216 1.00 0.00 C ATOM 1377 C SER A 91 0.548 7.635 6.428 1.00 0.00 C ATOM 1378 O SER A 91 -0.155 7.865 5.443 1.00 0.00 O ATOM 1379 CB SER A 91 1.737 5.615 7.300 1.00 0.00 C ATOM 1380 OG SER A 91 2.686 6.383 8.020 1.00 0.00 O ATOM 0 H SER A 91 -0.559 5.428 5.585 1.00 0.00 H new ATOM 0 HA SER A 91 0.056 6.585 8.223 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.603 4.648 7.785 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.111 5.418 6.295 1.00 0.00 H new ATOM 0 HG SER A 91 3.455 5.821 8.251 1.00 0.00 H new ATOM 1386 N SER A 92 1.474 8.481 6.868 1.00 0.00 N ATOM 1387 CA SER A 92 1.721 9.757 6.207 1.00 0.00 C ATOM 1388 C SER A 92 3.214 9.968 5.973 1.00 0.00 C ATOM 1389 O SER A 92 4.049 9.282 6.564 1.00 0.00 O ATOM 1390 CB SER A 92 1.157 10.907 7.043 1.00 0.00 C ATOM 1391 OG SER A 92 -0.229 11.078 6.805 1.00 0.00 O ATOM 0 H SER A 92 2.066 8.306 7.680 1.00 0.00 H new ATOM 0 HA SER A 92 1.218 9.740 5.240 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.326 10.708 8.101 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.687 11.829 6.803 1.00 0.00 H new ATOM 0 HG SER A 92 -0.566 11.818 7.352 1.00 0.00 H new ATOM 1397 N ARG A 93 3.542 10.921 5.106 1.00 0.00 N ATOM 1398 CA ARG A 93 4.934 11.221 4.792 1.00 0.00 C ATOM 1399 C ARG A 93 5.688 11.669 6.041 1.00 0.00 C ATOM 1400 O ARG A 93 6.723 11.103 6.389 1.00 0.00 O ATOM 1401 CB ARG A 93 5.012 12.309 3.718 1.00 0.00 C ATOM 1402 CG ARG A 93 6.421 12.553 3.202 1.00 0.00 C ATOM 1403 CD ARG A 93 6.412 12.988 1.744 1.00 0.00 C ATOM 1404 NE ARG A 93 7.401 14.029 1.479 1.00 0.00 N ATOM 1405 CZ ARG A 93 8.712 13.844 1.594 1.00 0.00 C ATOM 1406 NH1 ARG A 93 9.188 12.665 1.968 1.00 0.00 N ATOM 1407 NH2 ARG A 93 9.549 14.841 1.334 1.00 0.00 N ATOM 0 H ARG A 93 2.863 11.498 4.609 1.00 0.00 H new ATOM 0 HA ARG A 93 5.401 10.311 4.414 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.371 12.029 2.882 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.617 13.239 4.126 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.904 13.319 3.809 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.011 11.643 3.308 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.613 12.126 1.107 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.420 13.355 1.481 1.00 0.00 H new ATOM 0 HE ARG A 93 7.067 14.949 1.190 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.548 11.897 2.168 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.195 12.526 2.055 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.186 15.750 1.046 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.555 14.698 1.422 1.00 0.00 H new