USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=11 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 Set 1.1: A 67 GLN : amide:sc= -0.572 K(o=-1.5,f=-0.42) USER MOD Set 1.2: A 90 LYS NZ :NH3+ 148:sc= -0.965 (180deg=-1.18) USER MOD Single : A 27 CYS SG : rot 113:sc= -3.75! USER MOD Single : A 28 SER OG : rot 70:sc= 0.117 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.146 K(o=-0.15,f=-2.1!) 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 -128:sc= -0.258 (180deg=-2.89!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -34:sc= 0.00917 USER MOD Single : A 63 GLN : amide:sc= -2.62! C(o=-2.6!,f=-4.4!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -2.78 X(o=-2.8,f=-2.4) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.651 K(o=-0.65,f=-1.3) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -170:sc= 0.261 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 16 -0.797 9.285 0.348 1.00 0.00 N ATOM 168 CA GLY A 16 -1.056 7.878 0.109 1.00 0.00 C ATOM 169 C GLY A 16 -0.014 6.980 0.745 1.00 0.00 C ATOM 170 O GLY A 16 0.251 5.882 0.257 1.00 0.00 O ATOM 0 HA2 GLY A 16 -2.040 7.621 0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.083 7.694 -0.965 1.00 0.00 H new ATOM 174 N PHE A 17 0.581 7.448 1.837 1.00 0.00 N ATOM 175 CA PHE A 17 1.602 6.681 2.540 1.00 0.00 C ATOM 176 C PHE A 17 0.973 5.547 3.343 1.00 0.00 C ATOM 177 O PHE A 17 -0.132 5.680 3.869 1.00 0.00 O ATOM 178 CB PHE A 17 2.407 7.594 3.468 1.00 0.00 C ATOM 179 CG PHE A 17 3.806 7.854 2.987 1.00 0.00 C ATOM 180 CD1 PHE A 17 4.824 6.952 3.249 1.00 0.00 C ATOM 181 CD2 PHE A 17 4.103 9.003 2.270 1.00 0.00 C ATOM 182 CE1 PHE A 17 6.111 7.190 2.807 1.00 0.00 C ATOM 183 CE2 PHE A 17 5.389 9.247 1.826 1.00 0.00 C ATOM 184 CZ PHE A 17 6.393 8.338 2.094 1.00 0.00 C ATOM 0 H PHE A 17 0.373 8.355 2.254 1.00 0.00 H new ATOM 0 HA PHE A 17 2.272 6.248 1.797 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.884 8.545 3.572 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.450 7.144 4.460 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.609 6.052 3.806 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.320 9.716 2.056 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.896 6.479 3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.608 10.147 1.271 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.398 8.525 1.746 1.00 0.00 H new ATOM 194 N VAL A 18 1.686 4.428 3.435 1.00 0.00 N ATOM 195 CA VAL A 18 1.199 3.269 4.175 1.00 0.00 C ATOM 196 C VAL A 18 2.325 2.609 4.963 1.00 0.00 C ATOM 197 O VAL A 18 3.481 2.619 4.542 1.00 0.00 O ATOM 198 CB VAL A 18 0.567 2.228 3.233 1.00 0.00 C ATOM 199 CG1 VAL A 18 -0.697 2.782 2.595 1.00 0.00 C ATOM 200 CG2 VAL A 18 1.566 1.796 2.169 1.00 0.00 C ATOM 0 H VAL A 18 2.603 4.300 3.006 1.00 0.00 H new ATOM 0 HA VAL A 18 0.438 3.630 4.867 1.00 0.00 H new ATOM 0 HB VAL A 18 0.294 1.351 3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.129 2.032 1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.416 3.036 3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.453 3.676 2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.102 1.060 1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.872 2.663 1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.440 1.355 2.648 1.00 0.00 H new ATOM 210 N ARG A 19 1.977 2.035 6.111 1.00 0.00 N ATOM 211 CA ARG A 19 2.958 1.369 6.959 1.00 0.00 C ATOM 212 C ARG A 19 2.697 -0.133 7.018 1.00 0.00 C ATOM 213 O ARG A 19 1.557 -0.570 7.181 1.00 0.00 O ATOM 214 CB ARG A 19 2.926 1.958 8.370 1.00 0.00 C ATOM 215 CG ARG A 19 3.873 1.270 9.340 1.00 0.00 C ATOM 216 CD ARG A 19 3.849 1.934 10.708 1.00 0.00 C ATOM 217 NE ARG A 19 5.190 2.075 11.271 1.00 0.00 N ATOM 218 CZ ARG A 19 5.429 2.548 12.489 1.00 0.00 C ATOM 219 NH1 ARG A 19 4.423 2.923 13.268 1.00 0.00 N ATOM 220 NH2 ARG A 19 6.676 2.647 12.930 1.00 0.00 N ATOM 0 H ARG A 19 1.024 2.018 6.474 1.00 0.00 H new ATOM 0 HA ARG A 19 3.945 1.532 6.526 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.179 3.017 8.318 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.910 1.892 8.759 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.595 0.221 9.439 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.887 1.295 8.940 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.385 2.917 10.626 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.231 1.345 11.386 1.00 0.00 H new ATOM 0 HE ARG A 19 5.986 1.795 10.698 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.463 2.849 12.932 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.610 3.286 14.203 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.452 2.360 12.334 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.859 3.010 13.865 1.00 0.00 H new ATOM 234 N LEU A 20 3.759 -0.919 6.883 1.00 0.00 N ATOM 235 CA LEU A 20 3.645 -2.373 6.920 1.00 0.00 C ATOM 236 C LEU A 20 4.268 -2.935 8.194 1.00 0.00 C ATOM 237 O LEU A 20 5.259 -2.408 8.698 1.00 0.00 O ATOM 238 CB LEU A 20 4.323 -2.987 5.693 1.00 0.00 C ATOM 239 CG LEU A 20 4.216 -2.187 4.395 1.00 0.00 C ATOM 240 CD1 LEU A 20 4.961 -2.890 3.272 1.00 0.00 C ATOM 241 CD2 LEU A 20 2.757 -1.975 4.018 1.00 0.00 C ATOM 0 H LEU A 20 4.709 -0.574 6.747 1.00 0.00 H new ATOM 0 HA LEU A 20 2.586 -2.632 6.911 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.379 -3.131 5.921 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.895 -3.975 5.523 1.00 0.00 H new ATOM 0 HG LEU A 20 4.675 -1.211 4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.874 -2.306 2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.013 -2.990 3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.531 -3.879 3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.700 -1.404 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.273 -2.942 3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.251 -1.428 4.814 1.00 0.00 H new ATOM 253 N ARG A 21 3.680 -4.010 8.708 1.00 0.00 N ATOM 254 CA ARG A 21 4.176 -4.646 9.922 1.00 0.00 C ATOM 255 C ARG A 21 4.155 -6.165 9.789 1.00 0.00 C ATOM 256 O ARG A 21 3.125 -6.756 9.468 1.00 0.00 O ATOM 257 CB ARG A 21 3.337 -4.217 11.127 1.00 0.00 C ATOM 258 CG ARG A 21 4.038 -3.221 12.035 1.00 0.00 C ATOM 259 CD ARG A 21 3.301 -3.055 13.355 1.00 0.00 C ATOM 260 NE ARG A 21 4.220 -2.986 14.489 1.00 0.00 N ATOM 261 CZ ARG A 21 3.888 -2.486 15.675 1.00 0.00 C ATOM 262 NH1 ARG A 21 2.665 -2.012 15.879 1.00 0.00 N ATOM 263 NH2 ARG A 21 4.778 -2.459 16.657 1.00 0.00 N ATOM 0 H ARG A 21 2.859 -4.459 8.302 1.00 0.00 H new ATOM 0 HA ARG A 21 5.207 -4.327 10.073 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.405 -3.778 10.772 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.072 -5.101 11.707 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.057 -3.556 12.226 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.109 -2.256 11.533 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.697 -2.148 13.322 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.615 -3.890 13.495 1.00 0.00 H new ATOM 0 HE ARG A 21 5.168 -3.341 14.364 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.978 -2.031 15.125 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.412 -1.629 16.790 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.719 -2.822 16.503 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.522 -2.075 17.567 1.00 0.00 H new ATOM 277 N GLY A 22 5.302 -6.792 10.037 1.00 0.00 N ATOM 278 CA GLY A 22 5.393 -8.237 9.938 1.00 0.00 C ATOM 279 C GLY A 22 5.983 -8.692 8.618 1.00 0.00 C ATOM 280 O GLY A 22 5.581 -9.720 8.072 1.00 0.00 O ATOM 0 H GLY A 22 6.169 -6.325 10.304 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.005 -8.616 10.756 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.400 -8.669 10.057 1.00 0.00 H new ATOM 284 N LEU A 23 6.937 -7.926 8.103 1.00 0.00 N ATOM 285 CA LEU A 23 7.582 -8.254 6.837 1.00 0.00 C ATOM 286 C LEU A 23 8.483 -9.477 6.986 1.00 0.00 C ATOM 287 O LEU A 23 9.123 -9.685 8.017 1.00 0.00 O ATOM 288 CB LEU A 23 8.399 -7.063 6.333 1.00 0.00 C ATOM 289 CG LEU A 23 7.623 -5.765 6.108 1.00 0.00 C ATOM 290 CD1 LEU A 23 8.572 -4.576 6.068 1.00 0.00 C ATOM 291 CD2 LEU A 23 6.811 -5.844 4.824 1.00 0.00 C ATOM 0 H LEU A 23 7.282 -7.073 8.543 1.00 0.00 H new ATOM 0 HA LEU A 23 6.803 -8.485 6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.197 -6.866 7.049 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.875 -7.346 5.394 1.00 0.00 H new ATOM 0 HG LEU A 23 6.934 -5.627 6.942 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.002 -3.661 5.907 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.109 -4.507 7.014 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.285 -4.707 5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.265 -4.911 4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.481 -6.006 3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.104 -6.671 4.891 1.00 0.00 H new ATOM 303 N PRO A 24 8.537 -10.304 5.932 1.00 0.00 N ATOM 304 CA PRO A 24 9.359 -11.518 5.920 1.00 0.00 C ATOM 305 C PRO A 24 10.851 -11.208 5.878 1.00 0.00 C ATOM 306 O PRO A 24 11.258 -10.121 5.466 1.00 0.00 O ATOM 307 CB PRO A 24 8.923 -12.229 4.637 1.00 0.00 C ATOM 308 CG PRO A 24 8.416 -11.140 3.755 1.00 0.00 C ATOM 309 CD PRO A 24 7.801 -10.118 4.670 1.00 0.00 C ATOM 0 HA PRO A 24 9.219 -12.114 6.822 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.756 -12.758 4.174 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.148 -12.969 4.838 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.225 -10.703 3.170 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.681 -11.522 3.047 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.920 -9.107 4.281 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.732 -10.286 4.800 1.00 0.00 H new ATOM 317 N PHE A 25 11.663 -12.169 6.305 1.00 0.00 N ATOM 318 CA PHE A 25 13.111 -11.997 6.317 1.00 0.00 C ATOM 319 C PHE A 25 13.641 -11.754 4.906 1.00 0.00 C ATOM 320 O PHE A 25 13.521 -12.609 4.030 1.00 0.00 O ATOM 321 CB PHE A 25 13.787 -13.230 6.922 1.00 0.00 C ATOM 322 CG PHE A 25 14.882 -12.896 7.895 1.00 0.00 C ATOM 323 CD1 PHE A 25 14.591 -12.273 9.098 1.00 0.00 C ATOM 324 CD2 PHE A 25 16.201 -13.206 7.606 1.00 0.00 C ATOM 325 CE1 PHE A 25 15.596 -11.965 9.996 1.00 0.00 C ATOM 326 CE2 PHE A 25 17.210 -12.901 8.501 1.00 0.00 C ATOM 327 CZ PHE A 25 16.907 -12.278 9.696 1.00 0.00 C ATOM 0 H PHE A 25 11.343 -13.075 6.647 1.00 0.00 H new ATOM 0 HA PHE A 25 13.344 -11.126 6.929 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.035 -13.836 7.428 1.00 0.00 H new ATOM 0 HB3 PHE A 25 14.200 -13.840 6.118 1.00 0.00 H new ATOM 0 HD1 PHE A 25 13.567 -12.025 9.337 1.00 0.00 H new ATOM 0 HD2 PHE A 25 16.444 -13.691 6.672 1.00 0.00 H new ATOM 0 HE1 PHE A 25 15.356 -11.480 10.931 1.00 0.00 H new ATOM 0 HE2 PHE A 25 18.234 -13.150 8.266 1.00 0.00 H new ATOM 0 HZ PHE A 25 17.694 -12.036 10.395 1.00 0.00 H new ATOM 337 N GLY A 26 14.228 -10.580 4.695 1.00 0.00 N ATOM 338 CA GLY A 26 14.767 -10.243 3.391 1.00 0.00 C ATOM 339 C GLY A 26 13.800 -9.426 2.558 1.00 0.00 C ATOM 340 O GLY A 26 14.026 -9.208 1.367 1.00 0.00 O ATOM 0 H GLY A 26 14.340 -9.856 5.405 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.694 -9.684 3.518 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.017 -11.160 2.857 1.00 0.00 H new ATOM 344 N CYS A 27 12.718 -8.974 3.183 1.00 0.00 N ATOM 345 CA CYS A 27 11.711 -8.177 2.491 1.00 0.00 C ATOM 346 C CYS A 27 12.324 -6.900 1.925 1.00 0.00 C ATOM 347 O CYS A 27 13.009 -6.163 2.631 1.00 0.00 O ATOM 348 CB CYS A 27 10.564 -7.831 3.440 1.00 0.00 C ATOM 349 SG CYS A 27 9.362 -6.668 2.752 1.00 0.00 S ATOM 0 H CYS A 27 12.516 -9.146 4.168 1.00 0.00 H new ATOM 0 HA CYS A 27 11.320 -8.768 1.663 1.00 0.00 H new ATOM 0 HB2 CYS A 27 10.047 -8.749 3.718 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.979 -7.409 4.356 1.00 0.00 H new ATOM 0 HG CYS A 27 8.223 -7.271 2.582 1.00 0.00 H new ATOM 355 N SER A 28 12.071 -6.646 0.645 1.00 0.00 N ATOM 356 CA SER A 28 12.601 -5.460 -0.018 1.00 0.00 C ATOM 357 C SER A 28 11.605 -4.916 -1.038 1.00 0.00 C ATOM 358 O SER A 28 10.597 -5.555 -1.340 1.00 0.00 O ATOM 359 CB SER A 28 13.927 -5.787 -0.709 1.00 0.00 C ATOM 360 OG SER A 28 14.847 -6.366 0.201 1.00 0.00 O ATOM 0 H SER A 28 11.503 -7.245 0.047 1.00 0.00 H new ATOM 0 HA SER A 28 12.772 -4.696 0.740 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.750 -6.473 -1.537 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.353 -4.878 -1.133 1.00 0.00 H new ATOM 0 HG SER A 28 14.546 -7.267 0.442 1.00 0.00 H new ATOM 366 N LYS A 29 11.895 -3.732 -1.565 1.00 0.00 N ATOM 367 CA LYS A 29 11.027 -3.100 -2.552 1.00 0.00 C ATOM 368 C LYS A 29 10.726 -4.055 -3.702 1.00 0.00 C ATOM 369 O LYS A 29 9.622 -4.054 -4.247 1.00 0.00 O ATOM 370 CB LYS A 29 11.678 -1.824 -3.091 1.00 0.00 C ATOM 371 CG LYS A 29 11.932 -0.773 -2.024 1.00 0.00 C ATOM 372 CD LYS A 29 12.928 0.273 -2.497 1.00 0.00 C ATOM 373 CE LYS A 29 13.316 1.222 -1.374 1.00 0.00 C ATOM 374 NZ LYS A 29 13.934 2.474 -1.893 1.00 0.00 N ATOM 0 H LYS A 29 12.725 -3.190 -1.325 1.00 0.00 H new ATOM 0 HA LYS A 29 10.088 -2.842 -2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 29 12.624 -2.082 -3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.038 -1.398 -3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.992 -0.288 -1.759 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.309 -1.254 -1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 29 13.820 -0.221 -2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.497 0.841 -3.322 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.432 1.470 -0.787 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.015 0.723 -0.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.184 3.094 -1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.792 2.240 -2.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 13.258 2.964 -2.513 1.00 0.00 H new ATOM 388 N GLU A 30 11.713 -4.868 -4.065 1.00 0.00 N ATOM 389 CA GLU A 30 11.551 -5.828 -5.150 1.00 0.00 C ATOM 390 C GLU A 30 10.344 -6.728 -4.905 1.00 0.00 C ATOM 391 O GLU A 30 9.584 -7.028 -5.825 1.00 0.00 O ATOM 392 CB GLU A 30 12.814 -6.678 -5.301 1.00 0.00 C ATOM 393 CG GLU A 30 14.025 -5.893 -5.777 1.00 0.00 C ATOM 394 CD GLU A 30 15.019 -5.624 -4.664 1.00 0.00 C ATOM 395 OE1 GLU A 30 15.901 -6.479 -4.437 1.00 0.00 O ATOM 396 OE2 GLU A 30 14.915 -4.559 -4.020 1.00 0.00 O ATOM 0 H GLU A 30 12.633 -4.881 -3.624 1.00 0.00 H new ATOM 0 HA GLU A 30 11.385 -5.271 -6.072 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.046 -7.141 -4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.616 -7.486 -6.006 1.00 0.00 H new ATOM 0 HG2 GLU A 30 14.520 -6.445 -6.576 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.695 -4.945 -6.202 1.00 0.00 H new ATOM 403 N GLU A 31 10.177 -7.157 -3.658 1.00 0.00 N ATOM 404 CA GLU A 31 9.063 -8.025 -3.292 1.00 0.00 C ATOM 405 C GLU A 31 7.791 -7.213 -3.070 1.00 0.00 C ATOM 406 O GLU A 31 6.681 -7.727 -3.214 1.00 0.00 O ATOM 407 CB GLU A 31 9.402 -8.819 -2.028 1.00 0.00 C ATOM 408 CG GLU A 31 10.201 -10.082 -2.299 1.00 0.00 C ATOM 409 CD GLU A 31 10.495 -10.869 -1.037 1.00 0.00 C ATOM 410 OE1 GLU A 31 9.583 -11.002 -0.194 1.00 0.00 O ATOM 411 OE2 GLU A 31 11.638 -11.351 -0.891 1.00 0.00 O ATOM 0 H GLU A 31 10.798 -6.918 -2.885 1.00 0.00 H new ATOM 0 HA GLU A 31 8.891 -8.720 -4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.967 -8.181 -1.349 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.477 -9.087 -1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.650 -10.713 -2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.140 -9.816 -2.784 1.00 0.00 H new ATOM 418 N ILE A 32 7.961 -5.943 -2.717 1.00 0.00 N ATOM 419 CA ILE A 32 6.826 -5.060 -2.476 1.00 0.00 C ATOM 420 C ILE A 32 6.172 -4.634 -3.786 1.00 0.00 C ATOM 421 O ILE A 32 5.005 -4.935 -4.037 1.00 0.00 O ATOM 422 CB ILE A 32 7.248 -3.802 -1.693 1.00 0.00 C ATOM 423 CG1 ILE A 32 7.845 -4.193 -0.340 1.00 0.00 C ATOM 424 CG2 ILE A 32 6.060 -2.871 -1.506 1.00 0.00 C ATOM 425 CD1 ILE A 32 8.406 -3.021 0.435 1.00 0.00 C ATOM 0 H ILE A 32 8.873 -5.503 -2.592 1.00 0.00 H new ATOM 0 HA ILE A 32 6.108 -5.625 -1.881 1.00 0.00 H new ATOM 0 HB ILE A 32 8.011 -3.274 -2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.076 -4.680 0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.637 -4.925 -0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.374 -1.987 -0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.677 -2.570 -2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.277 -3.388 -0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.812 -3.373 1.383 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.198 -2.547 -0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.613 -2.298 0.626 1.00 0.00 H new ATOM 437 N VAL A 33 6.933 -3.933 -4.621 1.00 0.00 N ATOM 438 CA VAL A 33 6.430 -3.468 -5.908 1.00 0.00 C ATOM 439 C VAL A 33 5.442 -4.465 -6.503 1.00 0.00 C ATOM 440 O VAL A 33 4.391 -4.080 -7.015 1.00 0.00 O ATOM 441 CB VAL A 33 7.577 -3.238 -6.909 1.00 0.00 C ATOM 442 CG1 VAL A 33 7.032 -3.099 -8.322 1.00 0.00 C ATOM 443 CG2 VAL A 33 8.388 -2.011 -6.518 1.00 0.00 C ATOM 0 H VAL A 33 7.901 -3.675 -4.429 1.00 0.00 H new ATOM 0 HA VAL A 33 5.922 -2.521 -5.727 1.00 0.00 H new ATOM 0 HB VAL A 33 8.238 -4.105 -6.883 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.857 -2.937 -9.016 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.499 -4.009 -8.598 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.349 -2.251 -8.367 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.194 -1.864 -7.236 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.741 -1.134 -6.513 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.810 -2.156 -5.524 1.00 0.00 H new ATOM 453 N GLN A 34 5.787 -5.746 -6.432 1.00 0.00 N ATOM 454 CA GLN A 34 4.929 -6.798 -6.965 1.00 0.00 C ATOM 455 C GLN A 34 3.768 -7.086 -6.020 1.00 0.00 C ATOM 456 O GLN A 34 2.632 -7.275 -6.454 1.00 0.00 O ATOM 457 CB GLN A 34 5.739 -8.075 -7.200 1.00 0.00 C ATOM 458 CG GLN A 34 6.150 -8.277 -8.650 1.00 0.00 C ATOM 459 CD GLN A 34 5.112 -9.040 -9.449 1.00 0.00 C ATOM 460 OE1 GLN A 34 4.314 -9.794 -8.892 1.00 0.00 O ATOM 461 NE2 GLN A 34 5.118 -8.848 -10.763 1.00 0.00 N ATOM 0 H GLN A 34 6.654 -6.081 -6.011 1.00 0.00 H new ATOM 0 HA GLN A 34 4.522 -6.453 -7.916 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.634 -8.047 -6.578 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.151 -8.933 -6.875 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.319 -7.306 -9.115 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.097 -8.815 -8.684 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.798 -8.214 -11.183 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.443 -9.335 -11.353 1.00 0.00 H new ATOM 470 N PHE A 35 4.060 -7.116 -4.723 1.00 0.00 N ATOM 471 CA PHE A 35 3.041 -7.382 -3.716 1.00 0.00 C ATOM 472 C PHE A 35 1.819 -6.493 -3.931 1.00 0.00 C ATOM 473 O PHE A 35 0.705 -6.843 -3.538 1.00 0.00 O ATOM 474 CB PHE A 35 3.608 -7.157 -2.313 1.00 0.00 C ATOM 475 CG PHE A 35 2.552 -7.014 -1.254 1.00 0.00 C ATOM 476 CD1 PHE A 35 1.869 -8.124 -0.783 1.00 0.00 C ATOM 477 CD2 PHE A 35 2.241 -5.770 -0.731 1.00 0.00 C ATOM 478 CE1 PHE A 35 0.896 -7.995 0.190 1.00 0.00 C ATOM 479 CE2 PHE A 35 1.270 -5.634 0.243 1.00 0.00 C ATOM 480 CZ PHE A 35 0.598 -6.749 0.704 1.00 0.00 C ATOM 0 H PHE A 35 4.995 -6.959 -4.346 1.00 0.00 H new ATOM 0 HA PHE A 35 2.733 -8.423 -3.813 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.259 -7.992 -2.055 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.228 -6.260 -2.320 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.100 -9.101 -1.181 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.764 -4.895 -1.089 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.370 -8.868 0.548 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.037 -4.658 0.643 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.160 -6.646 1.466 1.00 0.00 H new ATOM 490 N PHE A 36 2.036 -5.341 -4.558 1.00 0.00 N ATOM 491 CA PHE A 36 0.955 -4.400 -4.824 1.00 0.00 C ATOM 492 C PHE A 36 0.594 -4.392 -6.306 1.00 0.00 C ATOM 493 O PHE A 36 0.320 -3.340 -6.884 1.00 0.00 O ATOM 494 CB PHE A 36 1.353 -2.992 -4.376 1.00 0.00 C ATOM 495 CG PHE A 36 1.304 -2.800 -2.888 1.00 0.00 C ATOM 496 CD1 PHE A 36 0.153 -3.099 -2.175 1.00 0.00 C ATOM 497 CD2 PHE A 36 2.407 -2.320 -2.201 1.00 0.00 C ATOM 498 CE1 PHE A 36 0.105 -2.922 -0.805 1.00 0.00 C ATOM 499 CE2 PHE A 36 2.365 -2.142 -0.830 1.00 0.00 C ATOM 500 CZ PHE A 36 1.213 -2.444 -0.132 1.00 0.00 C ATOM 0 H PHE A 36 2.951 -5.037 -4.891 1.00 0.00 H new ATOM 0 HA PHE A 36 0.081 -4.720 -4.257 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.362 -2.779 -4.729 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.690 -2.268 -4.850 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.716 -3.474 -2.696 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.311 -2.082 -2.742 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.798 -3.157 -0.261 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.232 -1.767 -0.306 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.178 -2.307 0.939 1.00 0.00 H new ATOM 510 N SER A 37 0.597 -5.573 -6.916 1.00 0.00 N ATOM 511 CA SER A 37 0.274 -5.702 -8.332 1.00 0.00 C ATOM 512 C SER A 37 -1.044 -5.005 -8.656 1.00 0.00 C ATOM 513 O SER A 37 -2.067 -5.263 -8.024 1.00 0.00 O ATOM 514 CB SER A 37 0.193 -7.179 -8.726 1.00 0.00 C ATOM 515 OG SER A 37 -0.440 -7.337 -9.984 1.00 0.00 O ATOM 0 H SER A 37 0.819 -6.454 -6.452 1.00 0.00 H new ATOM 0 HA SER A 37 1.068 -5.223 -8.905 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.196 -7.604 -8.764 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.359 -7.732 -7.966 1.00 0.00 H new ATOM 0 HG SER A 37 -0.478 -8.289 -10.214 1.00 0.00 H new ATOM 521 N GLY A 38 -1.010 -4.119 -9.647 1.00 0.00 N ATOM 522 CA GLY A 38 -2.206 -3.397 -10.038 1.00 0.00 C ATOM 523 C GLY A 38 -2.201 -1.960 -9.554 1.00 0.00 C ATOM 524 O GLY A 38 -2.865 -1.101 -10.133 1.00 0.00 O ATOM 0 H GLY A 38 -0.175 -3.889 -10.186 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.296 -3.411 -11.124 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.082 -3.908 -9.639 1.00 0.00 H new ATOM 528 N LEU A 39 -1.452 -1.700 -8.489 1.00 0.00 N ATOM 529 CA LEU A 39 -1.364 -0.358 -7.925 1.00 0.00 C ATOM 530 C LEU A 39 -0.159 0.391 -8.486 1.00 0.00 C ATOM 531 O LEU A 39 0.845 -0.218 -8.855 1.00 0.00 O ATOM 532 CB LEU A 39 -1.270 -0.428 -6.400 1.00 0.00 C ATOM 533 CG LEU A 39 -2.366 -1.230 -5.696 1.00 0.00 C ATOM 534 CD1 LEU A 39 -1.797 -1.976 -4.500 1.00 0.00 C ATOM 535 CD2 LEU A 39 -3.502 -0.315 -5.266 1.00 0.00 C ATOM 0 H LEU A 39 -0.897 -2.401 -7.998 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.268 0.185 -8.202 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.305 -0.859 -6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.283 0.589 -6.008 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.763 -1.963 -6.399 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.591 -2.541 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.018 -2.661 -4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.373 -1.262 -3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.273 -0.902 -4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.120 0.441 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.928 0.173 -6.143 1.00 0.00 H new ATOM 547 N GLU A 40 -0.265 1.715 -8.544 1.00 0.00 N ATOM 548 CA GLU A 40 0.818 2.546 -9.058 1.00 0.00 C ATOM 549 C GLU A 40 1.524 3.282 -7.924 1.00 0.00 C ATOM 550 O GLU A 40 0.918 4.097 -7.227 1.00 0.00 O ATOM 551 CB GLU A 40 0.279 3.551 -10.077 1.00 0.00 C ATOM 552 CG GLU A 40 1.198 4.740 -10.303 1.00 0.00 C ATOM 553 CD GLU A 40 0.764 5.597 -11.477 1.00 0.00 C ATOM 554 OE1 GLU A 40 -0.164 6.413 -11.305 1.00 0.00 O ATOM 555 OE2 GLU A 40 1.355 5.450 -12.568 1.00 0.00 O ATOM 0 H GLU A 40 -1.089 2.235 -8.242 1.00 0.00 H new ATOM 0 HA GLU A 40 1.541 1.894 -9.549 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.117 3.041 -11.027 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.693 3.912 -9.740 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.223 5.352 -9.401 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.213 4.382 -10.474 1.00 0.00 H new ATOM 562 N ILE A 41 2.808 2.990 -7.745 1.00 0.00 N ATOM 563 CA ILE A 41 3.596 3.625 -6.696 1.00 0.00 C ATOM 564 C ILE A 41 4.664 4.539 -7.288 1.00 0.00 C ATOM 565 O ILE A 41 5.151 4.307 -8.395 1.00 0.00 O ATOM 566 CB ILE A 41 4.276 2.579 -5.792 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.267 1.512 -5.362 1.00 0.00 C ATOM 568 CG2 ILE A 41 4.894 3.253 -4.576 1.00 0.00 C ATOM 569 CD1 ILE A 41 3.910 0.218 -4.915 1.00 0.00 C ATOM 0 H ILE A 41 3.324 2.318 -8.313 1.00 0.00 H new ATOM 0 HA ILE A 41 2.905 4.218 -6.097 1.00 0.00 H new ATOM 0 HB ILE A 41 5.071 2.093 -6.357 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.658 1.906 -4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.593 1.305 -6.193 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.371 2.502 -3.947 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.639 3.979 -4.902 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.116 3.762 -4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.135 -0.492 -4.625 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.496 -0.199 -5.734 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.563 0.411 -4.064 1.00 0.00 H new ATOM 581 N VAL A 42 5.025 5.578 -6.543 1.00 0.00 N ATOM 582 CA VAL A 42 6.037 6.526 -6.992 1.00 0.00 C ATOM 583 C VAL A 42 7.437 5.937 -6.864 1.00 0.00 C ATOM 584 O VAL A 42 7.700 5.072 -6.029 1.00 0.00 O ATOM 585 CB VAL A 42 5.970 7.840 -6.191 1.00 0.00 C ATOM 586 CG1 VAL A 42 4.679 8.586 -6.495 1.00 0.00 C ATOM 587 CG2 VAL A 42 6.097 7.563 -4.701 1.00 0.00 C ATOM 0 H VAL A 42 4.631 5.785 -5.625 1.00 0.00 H new ATOM 0 HA VAL A 42 5.829 6.737 -8.041 1.00 0.00 H new ATOM 0 HB VAL A 42 6.806 8.471 -6.492 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.650 9.512 -5.920 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.635 8.818 -7.559 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.826 7.963 -6.224 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.048 8.503 -4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.283 6.912 -4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.051 7.076 -4.502 1.00 0.00 H new ATOM 597 N PRO A 43 8.361 6.416 -7.712 1.00 0.00 N ATOM 598 CA PRO A 43 9.751 5.951 -7.713 1.00 0.00 C ATOM 599 C PRO A 43 10.514 6.403 -6.472 1.00 0.00 C ATOM 600 O PRO A 43 10.488 7.578 -6.110 1.00 0.00 O ATOM 601 CB PRO A 43 10.340 6.599 -8.968 1.00 0.00 C ATOM 602 CG PRO A 43 9.501 7.807 -9.201 1.00 0.00 C ATOM 603 CD PRO A 43 8.118 7.447 -8.734 1.00 0.00 C ATOM 0 HA PRO A 43 9.817 4.863 -7.707 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.386 6.866 -8.821 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.301 5.920 -9.820 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.888 8.664 -8.649 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.497 8.082 -10.256 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.597 8.310 -8.319 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.504 7.067 -9.551 1.00 0.00 H new ATOM 611 N ASN A 44 11.193 5.461 -5.826 1.00 0.00 N ATOM 612 CA ASN A 44 11.964 5.763 -4.625 1.00 0.00 C ATOM 613 C ASN A 44 11.053 6.252 -3.502 1.00 0.00 C ATOM 614 O ASN A 44 11.477 7.007 -2.629 1.00 0.00 O ATOM 615 CB ASN A 44 13.029 6.819 -4.929 1.00 0.00 C ATOM 616 CG ASN A 44 14.437 6.266 -4.825 1.00 0.00 C ATOM 617 OD1 ASN A 44 14.944 6.032 -3.727 1.00 0.00 O ATOM 618 ND2 ASN A 44 15.076 6.053 -5.969 1.00 0.00 N ATOM 0 H ASN A 44 11.225 4.483 -6.113 1.00 0.00 H new ATOM 0 HA ASN A 44 12.454 4.846 -4.298 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.870 7.213 -5.933 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.917 7.654 -4.237 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.026 5.681 -5.961 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.617 6.261 -6.856 1.00 0.00 H new ATOM 625 N GLY A 45 9.798 5.815 -3.534 1.00 0.00 N ATOM 626 CA GLY A 45 8.847 6.217 -2.514 1.00 0.00 C ATOM 627 C GLY A 45 8.633 5.144 -1.465 1.00 0.00 C ATOM 628 O GLY A 45 7.548 5.035 -0.893 1.00 0.00 O ATOM 0 H GLY A 45 9.423 5.190 -4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.201 7.128 -2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.893 6.456 -2.985 1.00 0.00 H new ATOM 632 N MET A 46 9.667 4.351 -1.213 1.00 0.00 N ATOM 633 CA MET A 46 9.587 3.280 -0.225 1.00 0.00 C ATOM 634 C MET A 46 10.743 3.365 0.766 1.00 0.00 C ATOM 635 O MET A 46 11.894 3.565 0.377 1.00 0.00 O ATOM 636 CB MET A 46 9.593 1.916 -0.919 1.00 0.00 C ATOM 637 CG MET A 46 8.307 1.608 -1.667 1.00 0.00 C ATOM 638 SD MET A 46 8.333 -0.013 -2.457 1.00 0.00 S ATOM 639 CE MET A 46 7.730 0.397 -4.092 1.00 0.00 C ATOM 0 H MET A 46 10.571 4.429 -1.679 1.00 0.00 H new ATOM 0 HA MET A 46 8.653 3.396 0.325 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.428 1.877 -1.618 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.765 1.139 -0.174 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.468 1.656 -0.973 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.139 2.374 -2.424 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.898 -0.259 -4.348 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.392 1.433 -4.106 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.532 0.267 -4.819 1.00 0.00 H new ATOM 649 N THR A 47 10.430 3.214 2.048 1.00 0.00 N ATOM 650 CA THR A 47 11.442 3.276 3.095 1.00 0.00 C ATOM 651 C THR A 47 11.502 1.971 3.880 1.00 0.00 C ATOM 652 O THR A 47 10.482 1.478 4.364 1.00 0.00 O ATOM 653 CB THR A 47 11.172 4.437 4.070 1.00 0.00 C ATOM 654 OG1 THR A 47 11.229 5.686 3.373 1.00 0.00 O ATOM 655 CG2 THR A 47 12.184 4.436 5.206 1.00 0.00 C ATOM 0 H THR A 47 9.483 3.048 2.387 1.00 0.00 H new ATOM 0 HA THR A 47 12.399 3.443 2.600 1.00 0.00 H new ATOM 0 HB THR A 47 10.176 4.304 4.492 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.055 6.419 4.000 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.973 5.265 5.882 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.116 3.496 5.753 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.189 4.547 4.798 1.00 0.00 H new ATOM 663 N LEU A 48 12.702 1.415 4.003 1.00 0.00 N ATOM 664 CA LEU A 48 12.895 0.165 4.732 1.00 0.00 C ATOM 665 C LEU A 48 14.033 0.292 5.740 1.00 0.00 C ATOM 666 O LEU A 48 15.204 0.095 5.420 1.00 0.00 O ATOM 667 CB LEU A 48 13.189 -0.976 3.757 1.00 0.00 C ATOM 668 CG LEU A 48 12.004 -1.873 3.397 1.00 0.00 C ATOM 669 CD1 LEU A 48 11.695 -1.779 1.911 1.00 0.00 C ATOM 670 CD2 LEU A 48 12.285 -3.314 3.795 1.00 0.00 C ATOM 0 H LEU A 48 13.556 1.809 3.608 1.00 0.00 H new ATOM 0 HA LEU A 48 11.976 -0.056 5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.587 -0.548 2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.974 -1.599 4.185 1.00 0.00 H new ATOM 0 HG LEU A 48 11.131 -1.528 3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.849 -2.424 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.449 -0.749 1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.566 -2.097 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.431 -3.938 3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.171 -3.671 3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.455 -3.368 4.870 1.00 0.00 H new ATOM 682 N PRO A 49 13.680 0.629 6.990 1.00 0.00 N ATOM 683 CA PRO A 49 14.657 0.787 8.073 1.00 0.00 C ATOM 684 C PRO A 49 15.271 -0.542 8.498 1.00 0.00 C ATOM 685 O PRO A 49 14.871 -1.604 8.021 1.00 0.00 O ATOM 686 CB PRO A 49 13.828 1.383 9.214 1.00 0.00 C ATOM 687 CG PRO A 49 12.433 0.938 8.941 1.00 0.00 C ATOM 688 CD PRO A 49 12.302 0.880 7.444 1.00 0.00 C ATOM 0 HA PRO A 49 15.502 1.407 7.773 1.00 0.00 H new ATOM 0 HB2 PRO A 49 14.175 1.026 10.184 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.901 2.470 9.230 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.240 -0.037 9.388 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.711 1.633 9.369 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.625 0.086 7.130 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.909 1.812 7.039 1.00 0.00 H new ATOM 696 N VAL A 50 16.245 -0.476 9.399 1.00 0.00 N ATOM 697 CA VAL A 50 16.914 -1.675 9.891 1.00 0.00 C ATOM 698 C VAL A 50 17.466 -1.460 11.296 1.00 0.00 C ATOM 699 O VAL A 50 17.259 -0.408 11.901 1.00 0.00 O ATOM 700 CB VAL A 50 18.065 -2.098 8.959 1.00 0.00 C ATOM 701 CG1 VAL A 50 17.560 -2.278 7.535 1.00 0.00 C ATOM 702 CG2 VAL A 50 19.193 -1.078 9.009 1.00 0.00 C ATOM 0 H VAL A 50 16.589 0.395 9.804 1.00 0.00 H new ATOM 0 HA VAL A 50 16.166 -2.467 9.915 1.00 0.00 H new ATOM 0 HB VAL A 50 18.456 -3.055 9.304 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.387 -2.577 6.891 1.00 0.00 H new ATOM 0 HG12 VAL A 50 16.789 -3.048 7.517 1.00 0.00 H new ATOM 0 HG13 VAL A 50 17.142 -1.338 7.176 1.00 0.00 H new ATOM 0 HG21 VAL A 50 19.998 -1.393 8.345 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.818 -0.105 8.690 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.572 -1.004 10.028 1.00 0.00 H new ATOM 803 N THR A 57 13.592 -4.515 10.280 1.00 0.00 N ATOM 804 CA THR A 57 12.887 -4.481 11.556 1.00 0.00 C ATOM 805 C THR A 57 11.439 -4.929 11.394 1.00 0.00 C ATOM 806 O THR A 57 10.635 -4.808 12.318 1.00 0.00 O ATOM 807 CB THR A 57 12.910 -3.070 12.174 1.00 0.00 C ATOM 808 OG1 THR A 57 12.161 -2.164 11.356 1.00 0.00 O ATOM 809 CG2 THR A 57 14.338 -2.567 12.320 1.00 0.00 C ATOM 0 HA THR A 57 13.406 -5.169 12.223 1.00 0.00 H new ATOM 0 HB THR A 57 12.457 -3.124 13.164 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.261 -2.415 10.414 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.329 -1.569 12.758 1.00 0.00 H new ATOM 0 HG22 THR A 57 14.897 -3.243 12.967 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.812 -2.528 11.339 1.00 0.00 H new ATOM 817 N GLY A 58 11.112 -5.448 10.215 1.00 0.00 N ATOM 818 CA GLY A 58 9.760 -5.907 9.955 1.00 0.00 C ATOM 819 C GLY A 58 8.805 -4.766 9.669 1.00 0.00 C ATOM 820 O GLY A 58 7.588 -4.949 9.680 1.00 0.00 O ATOM 0 H GLY A 58 11.759 -5.559 9.435 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.769 -6.591 9.106 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.400 -6.471 10.815 1.00 0.00 H new ATOM 824 N GLU A 59 9.357 -3.584 9.415 1.00 0.00 N ATOM 825 CA GLU A 59 8.545 -2.407 9.128 1.00 0.00 C ATOM 826 C GLU A 59 8.951 -1.777 7.798 1.00 0.00 C ATOM 827 O GLU A 59 10.124 -1.787 7.427 1.00 0.00 O ATOM 828 CB GLU A 59 8.678 -1.380 10.254 1.00 0.00 C ATOM 829 CG GLU A 59 7.985 -1.794 11.541 1.00 0.00 C ATOM 830 CD GLU A 59 8.500 -1.037 12.750 1.00 0.00 C ATOM 831 OE1 GLU A 59 8.999 0.093 12.574 1.00 0.00 O ATOM 832 OE2 GLU A 59 8.400 -1.575 13.873 1.00 0.00 O ATOM 0 H GLU A 59 10.363 -3.416 9.402 1.00 0.00 H new ATOM 0 HA GLU A 59 7.504 -2.724 9.057 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.735 -1.213 10.458 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.264 -0.429 9.918 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.912 -1.627 11.442 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.128 -2.863 11.698 1.00 0.00 H new ATOM 839 N ALA A 60 7.971 -1.229 7.087 1.00 0.00 N ATOM 840 CA ALA A 60 8.225 -0.594 5.800 1.00 0.00 C ATOM 841 C ALA A 60 7.195 0.493 5.512 1.00 0.00 C ATOM 842 O ALA A 60 6.050 0.411 5.958 1.00 0.00 O ATOM 843 CB ALA A 60 8.223 -1.633 4.688 1.00 0.00 C ATOM 0 H ALA A 60 6.994 -1.212 7.381 1.00 0.00 H new ATOM 0 HA ALA A 60 9.208 -0.125 5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.414 -1.144 3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.001 -2.372 4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.253 -2.128 4.654 1.00 0.00 H new ATOM 849 N PHE A 61 7.608 1.510 4.764 1.00 0.00 N ATOM 850 CA PHE A 61 6.721 2.615 4.418 1.00 0.00 C ATOM 851 C PHE A 61 6.665 2.814 2.906 1.00 0.00 C ATOM 852 O PHE A 61 7.677 3.102 2.268 1.00 0.00 O ATOM 853 CB PHE A 61 7.189 3.904 5.096 1.00 0.00 C ATOM 854 CG PHE A 61 7.031 3.887 6.590 1.00 0.00 C ATOM 855 CD1 PHE A 61 5.850 4.303 7.180 1.00 0.00 C ATOM 856 CD2 PHE A 61 8.067 3.455 7.403 1.00 0.00 C ATOM 857 CE1 PHE A 61 5.701 4.288 8.554 1.00 0.00 C ATOM 858 CE2 PHE A 61 7.924 3.438 8.778 1.00 0.00 C ATOM 859 CZ PHE A 61 6.740 3.856 9.354 1.00 0.00 C ATOM 0 H PHE A 61 8.552 1.592 4.385 1.00 0.00 H new ATOM 0 HA PHE A 61 5.720 2.369 4.772 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.238 4.074 4.851 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.627 4.744 4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.035 4.644 6.559 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.995 3.128 6.958 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.773 4.614 9.001 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.738 3.098 9.402 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.627 3.845 10.428 1.00 0.00 H new ATOM 869 N VAL A 62 5.473 2.658 2.338 1.00 0.00 N ATOM 870 CA VAL A 62 5.283 2.821 0.902 1.00 0.00 C ATOM 871 C VAL A 62 4.487 4.084 0.592 1.00 0.00 C ATOM 872 O VAL A 62 3.540 4.421 1.303 1.00 0.00 O ATOM 873 CB VAL A 62 4.557 1.606 0.291 1.00 0.00 C ATOM 874 CG1 VAL A 62 4.595 1.672 -1.228 1.00 0.00 C ATOM 875 CG2 VAL A 62 5.174 0.309 0.793 1.00 0.00 C ATOM 0 H VAL A 62 4.624 2.419 2.851 1.00 0.00 H new ATOM 0 HA VAL A 62 6.275 2.903 0.459 1.00 0.00 H new ATOM 0 HB VAL A 62 3.514 1.630 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.078 0.807 -1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.103 2.585 -1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.631 1.672 -1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.649 -0.538 0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.226 0.272 0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.090 0.262 1.879 1.00 0.00 H new ATOM 885 N GLN A 63 4.877 4.776 -0.472 1.00 0.00 N ATOM 886 CA GLN A 63 4.199 6.002 -0.876 1.00 0.00 C ATOM 887 C GLN A 63 3.493 5.819 -2.216 1.00 0.00 C ATOM 888 O GLN A 63 4.126 5.840 -3.271 1.00 0.00 O ATOM 889 CB GLN A 63 5.199 7.156 -0.967 1.00 0.00 C ATOM 890 CG GLN A 63 4.548 8.508 -1.208 1.00 0.00 C ATOM 891 CD GLN A 63 5.541 9.653 -1.151 1.00 0.00 C ATOM 892 OE1 GLN A 63 6.709 9.459 -0.817 1.00 0.00 O ATOM 893 NE2 GLN A 63 5.078 10.854 -1.477 1.00 0.00 N ATOM 0 H GLN A 63 5.659 4.509 -1.070 1.00 0.00 H new ATOM 0 HA GLN A 63 3.449 6.238 -0.121 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.776 7.199 -0.043 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.903 6.952 -1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.060 8.503 -2.183 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.769 8.670 -0.463 1.00 0.00 H new ATOM 0 HE21 GLN A 63 4.101 10.968 -1.748 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.699 11.663 -1.456 1.00 0.00 H new ATOM 902 N PHE A 64 2.178 5.637 -2.165 1.00 0.00 N ATOM 903 CA PHE A 64 1.384 5.447 -3.373 1.00 0.00 C ATOM 904 C PHE A 64 1.279 6.749 -4.164 1.00 0.00 C ATOM 905 O PHE A 64 1.438 7.837 -3.612 1.00 0.00 O ATOM 906 CB PHE A 64 -0.013 4.938 -3.018 1.00 0.00 C ATOM 907 CG PHE A 64 -0.049 3.477 -2.672 1.00 0.00 C ATOM 908 CD1 PHE A 64 0.151 2.515 -3.648 1.00 0.00 C ATOM 909 CD2 PHE A 64 -0.285 3.066 -1.369 1.00 0.00 C ATOM 910 CE1 PHE A 64 0.119 1.169 -3.333 1.00 0.00 C ATOM 911 CE2 PHE A 64 -0.318 1.722 -1.048 1.00 0.00 C ATOM 912 CZ PHE A 64 -0.117 0.773 -2.031 1.00 0.00 C ATOM 0 H PHE A 64 1.639 5.617 -1.299 1.00 0.00 H new ATOM 0 HA PHE A 64 1.885 4.704 -3.994 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.397 5.512 -2.175 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.682 5.121 -3.859 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.334 2.820 -4.668 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.445 3.804 -0.597 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.278 0.429 -4.103 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.501 1.414 -0.029 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.144 -0.278 -1.782 1.00 0.00 H new ATOM 922 N ALA A 65 1.011 6.627 -5.459 1.00 0.00 N ATOM 923 CA ALA A 65 0.882 7.791 -6.326 1.00 0.00 C ATOM 924 C ALA A 65 -0.094 8.805 -5.741 1.00 0.00 C ATOM 925 O ALA A 65 0.047 10.010 -5.950 1.00 0.00 O ATOM 926 CB ALA A 65 0.437 7.368 -7.718 1.00 0.00 C ATOM 0 H ALA A 65 0.879 5.733 -5.932 1.00 0.00 H new ATOM 0 HA ALA A 65 1.860 8.268 -6.400 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.345 8.249 -8.354 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.174 6.688 -8.145 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.528 6.864 -7.654 1.00 0.00 H new ATOM 932 N SER A 66 -1.087 8.310 -5.008 1.00 0.00 N ATOM 933 CA SER A 66 -2.090 9.173 -4.396 1.00 0.00 C ATOM 934 C SER A 66 -2.858 8.427 -3.310 1.00 0.00 C ATOM 935 O SER A 66 -2.540 7.284 -2.983 1.00 0.00 O ATOM 936 CB SER A 66 -3.061 9.693 -5.458 1.00 0.00 C ATOM 937 OG SER A 66 -3.119 8.817 -6.570 1.00 0.00 O ATOM 0 H SER A 66 -1.218 7.315 -4.824 1.00 0.00 H new ATOM 0 HA SER A 66 -1.577 10.018 -3.938 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.055 9.801 -5.024 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.748 10.684 -5.788 1.00 0.00 H new ATOM 0 HG SER A 66 -3.748 9.171 -7.233 1.00 0.00 H new ATOM 943 N GLN A 67 -3.871 9.084 -2.754 1.00 0.00 N ATOM 944 CA GLN A 67 -4.685 8.483 -1.703 1.00 0.00 C ATOM 945 C GLN A 67 -5.600 7.405 -2.273 1.00 0.00 C ATOM 946 O GLN A 67 -5.669 6.295 -1.746 1.00 0.00 O ATOM 947 CB GLN A 67 -5.519 9.556 -1.000 1.00 0.00 C ATOM 948 CG GLN A 67 -5.503 9.441 0.516 1.00 0.00 C ATOM 949 CD GLN A 67 -6.648 8.603 1.050 1.00 0.00 C ATOM 950 OE1 GLN A 67 -7.787 9.063 1.128 1.00 0.00 O ATOM 951 NE2 GLN A 67 -6.351 7.362 1.420 1.00 0.00 N ATOM 0 H GLN A 67 -4.148 10.031 -3.013 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.015 8.020 -0.979 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.146 10.540 -1.286 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.549 9.492 -1.350 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -4.557 9.001 0.833 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.553 10.438 0.953 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -5.393 7.021 1.338 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.081 6.750 1.786 1.00 0.00 H new ATOM 960 N GLU A 68 -6.301 7.738 -3.353 1.00 0.00 N ATOM 961 CA GLU A 68 -7.212 6.796 -3.991 1.00 0.00 C ATOM 962 C GLU A 68 -6.544 5.438 -4.183 1.00 0.00 C ATOM 963 O GLU A 68 -7.201 4.398 -4.123 1.00 0.00 O ATOM 964 CB GLU A 68 -7.680 7.343 -5.342 1.00 0.00 C ATOM 965 CG GLU A 68 -6.554 7.537 -6.344 1.00 0.00 C ATOM 966 CD GLU A 68 -6.846 6.891 -7.683 1.00 0.00 C ATOM 967 OE1 GLU A 68 -7.671 5.954 -7.722 1.00 0.00 O ATOM 968 OE2 GLU A 68 -6.249 7.320 -8.692 1.00 0.00 O ATOM 0 H GLU A 68 -6.255 8.652 -3.803 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.076 6.667 -3.340 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.418 6.661 -5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.182 8.297 -5.184 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.382 8.603 -6.489 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.634 7.119 -5.936 1.00 0.00 H new ATOM 975 N ILE A 69 -5.236 5.455 -4.415 1.00 0.00 N ATOM 976 CA ILE A 69 -4.480 4.227 -4.616 1.00 0.00 C ATOM 977 C ILE A 69 -4.090 3.597 -3.282 1.00 0.00 C ATOM 978 O ILE A 69 -3.965 2.377 -3.174 1.00 0.00 O ATOM 979 CB ILE A 69 -3.205 4.478 -5.443 1.00 0.00 C ATOM 980 CG1 ILE A 69 -3.569 4.978 -6.843 1.00 0.00 C ATOM 981 CG2 ILE A 69 -2.370 3.210 -5.528 1.00 0.00 C ATOM 982 CD1 ILE A 69 -2.373 5.415 -7.658 1.00 0.00 C ATOM 0 H ILE A 69 -4.678 6.307 -4.468 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.129 3.544 -5.163 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.613 5.246 -4.946 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.093 4.186 -7.378 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.262 5.814 -6.753 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.473 3.404 -6.116 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.085 2.894 -4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.953 2.422 -6.005 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.706 5.757 -8.638 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.861 6.229 -7.145 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.689 4.575 -7.780 1.00 0.00 H new ATOM 994 N ALA A 70 -3.903 4.437 -2.270 1.00 0.00 N ATOM 995 CA ALA A 70 -3.533 3.963 -0.942 1.00 0.00 C ATOM 996 C ALA A 70 -4.610 3.051 -0.365 1.00 0.00 C ATOM 997 O ALA A 70 -4.308 2.004 0.208 1.00 0.00 O ATOM 998 CB ALA A 70 -3.281 5.140 -0.012 1.00 0.00 C ATOM 0 H ALA A 70 -4.002 5.450 -2.344 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.614 3.384 -1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.006 4.771 0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.471 5.751 -0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.186 5.743 0.065 1.00 0.00 H new ATOM 1004 N GLU A 71 -5.867 3.455 -0.519 1.00 0.00 N ATOM 1005 CA GLU A 71 -6.989 2.674 -0.010 1.00 0.00 C ATOM 1006 C GLU A 71 -7.025 1.291 -0.655 1.00 0.00 C ATOM 1007 O GLU A 71 -7.204 0.281 0.026 1.00 0.00 O ATOM 1008 CB GLU A 71 -8.307 3.405 -0.270 1.00 0.00 C ATOM 1009 CG GLU A 71 -8.576 4.541 0.703 1.00 0.00 C ATOM 1010 CD GLU A 71 -10.055 4.747 0.966 1.00 0.00 C ATOM 1011 OE1 GLU A 71 -10.837 4.737 -0.009 1.00 0.00 O ATOM 1012 OE2 GLU A 71 -10.432 4.918 2.144 1.00 0.00 O ATOM 0 H GLU A 71 -6.134 4.318 -0.992 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.856 2.551 1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.298 3.802 -1.285 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.127 2.689 -0.215 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.069 4.335 1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.150 5.462 0.306 1.00 0.00 H new ATOM 1019 N LYS A 72 -6.854 1.255 -1.972 1.00 0.00 N ATOM 1020 CA LYS A 72 -6.866 -0.002 -2.710 1.00 0.00 C ATOM 1021 C LYS A 72 -5.897 -1.006 -2.093 1.00 0.00 C ATOM 1022 O LYS A 72 -6.166 -2.206 -2.066 1.00 0.00 O ATOM 1023 CB LYS A 72 -6.499 0.240 -4.176 1.00 0.00 C ATOM 1024 CG LYS A 72 -7.426 1.216 -4.882 1.00 0.00 C ATOM 1025 CD LYS A 72 -7.637 0.831 -6.337 1.00 0.00 C ATOM 1026 CE LYS A 72 -6.739 1.640 -7.261 1.00 0.00 C ATOM 1027 NZ LYS A 72 -7.409 1.945 -8.557 1.00 0.00 N ATOM 0 H LYS A 72 -6.705 2.082 -2.550 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.873 -0.415 -2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.478 0.619 -4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.514 -0.712 -4.707 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.387 1.243 -4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.008 2.221 -4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.432 -0.232 -6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.680 0.991 -6.610 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.457 2.571 -6.770 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.819 1.087 -7.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.765 2.497 -9.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.656 1.056 -9.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.274 2.494 -8.380 1.00 0.00 H new ATOM 1041 N ALA A 73 -4.770 -0.505 -1.595 1.00 0.00 N ATOM 1042 CA ALA A 73 -3.765 -1.358 -0.975 1.00 0.00 C ATOM 1043 C ALA A 73 -4.153 -1.712 0.457 1.00 0.00 C ATOM 1044 O ALA A 73 -3.854 -2.805 0.939 1.00 0.00 O ATOM 1045 CB ALA A 73 -2.406 -0.675 -1.002 1.00 0.00 C ATOM 0 H ALA A 73 -4.531 0.487 -1.609 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.706 -2.284 -1.547 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.664 -1.323 -0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.118 -0.478 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.461 0.266 -0.455 1.00 0.00 H new ATOM 1051 N LEU A 74 -4.819 -0.782 1.131 1.00 0.00 N ATOM 1052 CA LEU A 74 -5.248 -0.997 2.509 1.00 0.00 C ATOM 1053 C LEU A 74 -6.020 -2.306 2.642 1.00 0.00 C ATOM 1054 O LEU A 74 -5.811 -3.070 3.584 1.00 0.00 O ATOM 1055 CB LEU A 74 -6.117 0.171 2.981 1.00 0.00 C ATOM 1056 CG LEU A 74 -5.390 1.288 3.730 1.00 0.00 C ATOM 1057 CD1 LEU A 74 -6.321 2.467 3.965 1.00 0.00 C ATOM 1058 CD2 LEU A 74 -4.836 0.772 5.050 1.00 0.00 C ATOM 0 H LEU A 74 -5.074 0.128 0.747 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.358 -1.057 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.611 0.605 2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.900 -0.223 3.628 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.555 1.627 3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.786 3.252 4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.669 2.852 3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.176 2.143 4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.322 1.580 5.570 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.654 0.405 5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.134 -0.040 4.858 1.00 0.00 H new ATOM 1070 N LYS A 75 -6.912 -2.560 1.689 1.00 0.00 N ATOM 1071 CA LYS A 75 -7.713 -3.779 1.697 1.00 0.00 C ATOM 1072 C LYS A 75 -6.821 -5.016 1.667 1.00 0.00 C ATOM 1073 O LYS A 75 -7.263 -6.120 1.988 1.00 0.00 O ATOM 1074 CB LYS A 75 -8.665 -3.794 0.499 1.00 0.00 C ATOM 1075 CG LYS A 75 -9.614 -2.609 0.461 1.00 0.00 C ATOM 1076 CD LYS A 75 -10.975 -2.966 1.034 1.00 0.00 C ATOM 1077 CE LYS A 75 -12.092 -2.672 0.044 1.00 0.00 C ATOM 1078 NZ LYS A 75 -13.371 -2.342 0.731 1.00 0.00 N ATOM 0 H LYS A 75 -7.098 -1.938 0.902 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.296 -3.796 2.618 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.079 -3.809 -0.420 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.248 -4.715 0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.186 -1.781 1.026 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.730 -2.267 -0.568 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.993 -4.023 1.301 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.143 -2.403 1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.799 -1.840 -0.597 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.240 -3.536 -0.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.106 -2.148 0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.664 -3.145 1.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.237 -1.502 1.329 1.00 0.00 H new ATOM 1092 N LYS A 76 -5.564 -4.825 1.281 1.00 0.00 N ATOM 1093 CA LYS A 76 -4.610 -5.925 1.211 1.00 0.00 C ATOM 1094 C LYS A 76 -3.959 -6.166 2.570 1.00 0.00 C ATOM 1095 O LYS A 76 -2.802 -6.583 2.651 1.00 0.00 O ATOM 1096 CB LYS A 76 -3.534 -5.628 0.165 1.00 0.00 C ATOM 1097 CG LYS A 76 -4.093 -5.137 -1.159 1.00 0.00 C ATOM 1098 CD LYS A 76 -2.993 -4.625 -2.074 1.00 0.00 C ATOM 1099 CE LYS A 76 -2.156 -5.766 -2.633 1.00 0.00 C ATOM 1100 NZ LYS A 76 -2.380 -5.954 -4.093 1.00 0.00 N ATOM 0 H LYS A 76 -5.182 -3.918 1.012 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.151 -6.825 0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.850 -4.878 0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.949 -6.531 -0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.629 -5.948 -1.652 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.816 -4.342 -0.977 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.435 -4.060 -2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.351 -3.937 -1.523 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.100 -5.565 -2.450 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.401 -6.688 -2.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.792 -6.740 -4.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.383 -6.170 -4.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.122 -5.083 -4.599 1.00 0.00 H new ATOM 1114 N HIS A 77 -4.709 -5.904 3.636 1.00 0.00 N ATOM 1115 CA HIS A 77 -4.205 -6.096 4.991 1.00 0.00 C ATOM 1116 C HIS A 77 -4.120 -7.580 5.334 1.00 0.00 C ATOM 1117 O HIS A 77 -4.812 -8.407 4.739 1.00 0.00 O ATOM 1118 CB HIS A 77 -5.105 -5.378 5.998 1.00 0.00 C ATOM 1119 CG HIS A 77 -4.951 -5.879 7.401 1.00 0.00 C ATOM 1120 ND1 HIS A 77 -4.096 -5.302 8.317 1.00 0.00 N ATOM 1121 CD2 HIS A 77 -5.550 -6.908 8.045 1.00 0.00 C ATOM 1122 CE1 HIS A 77 -4.175 -5.955 9.462 1.00 0.00 C ATOM 1123 NE2 HIS A 77 -5.051 -6.934 9.324 1.00 0.00 N ATOM 0 H HIS A 77 -5.667 -5.558 3.587 1.00 0.00 H new ATOM 0 HA HIS A 77 -3.202 -5.672 5.043 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -4.883 -4.311 5.975 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -6.145 -5.494 5.691 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -6.284 -7.583 7.630 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.618 -5.727 10.359 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -5.314 -7.601 10.050 1.00 0.00 H new ATOM 1131 N LYS A 78 -3.267 -7.911 6.298 1.00 0.00 N ATOM 1132 CA LYS A 78 -3.091 -9.296 6.721 1.00 0.00 C ATOM 1133 C LYS A 78 -2.637 -10.168 5.555 1.00 0.00 C ATOM 1134 O LYS A 78 -2.623 -11.394 5.655 1.00 0.00 O ATOM 1135 CB LYS A 78 -4.395 -9.843 7.304 1.00 0.00 C ATOM 1136 CG LYS A 78 -4.361 -10.015 8.813 1.00 0.00 C ATOM 1137 CD LYS A 78 -3.619 -11.280 9.212 1.00 0.00 C ATOM 1138 CE LYS A 78 -3.712 -11.531 10.710 1.00 0.00 C ATOM 1139 NZ LYS A 78 -2.374 -11.491 11.362 1.00 0.00 N ATOM 0 H LYS A 78 -2.687 -7.239 6.801 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.319 -9.319 7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.211 -9.170 7.042 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.614 -10.805 6.842 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.879 -9.150 9.268 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.380 -10.052 9.199 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.033 -12.132 8.673 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.572 -11.197 8.920 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.360 -10.782 11.164 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.174 -12.502 10.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.479 -11.666 12.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.763 -12.223 10.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.944 -10.556 11.214 1.00 0.00 H new ATOM 1153 N GLU A 79 -2.267 -9.527 4.451 1.00 0.00 N ATOM 1154 CA GLU A 79 -1.813 -10.246 3.266 1.00 0.00 C ATOM 1155 C GLU A 79 -0.393 -10.771 3.459 1.00 0.00 C ATOM 1156 O GLU A 79 0.556 -9.995 3.572 1.00 0.00 O ATOM 1157 CB GLU A 79 -1.870 -9.336 2.037 1.00 0.00 C ATOM 1158 CG GLU A 79 -3.275 -9.133 1.495 1.00 0.00 C ATOM 1159 CD GLU A 79 -3.611 -10.092 0.370 1.00 0.00 C ATOM 1160 OE1 GLU A 79 -2.990 -9.980 -0.709 1.00 0.00 O ATOM 1161 OE2 GLU A 79 -4.494 -10.952 0.566 1.00 0.00 O ATOM 0 H GLU A 79 -2.273 -8.512 4.352 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.478 -11.096 3.111 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.445 -8.366 2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.244 -9.760 1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.994 -9.262 2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.378 -8.109 1.137 1.00 0.00 H new ATOM 1168 N ARG A 80 -0.258 -12.093 3.497 1.00 0.00 N ATOM 1169 CA ARG A 80 1.045 -12.721 3.678 1.00 0.00 C ATOM 1170 C ARG A 80 1.817 -12.762 2.362 1.00 0.00 C ATOM 1171 O ARG A 80 1.232 -12.938 1.294 1.00 0.00 O ATOM 1172 CB ARG A 80 0.879 -14.139 4.228 1.00 0.00 C ATOM 1173 CG ARG A 80 0.142 -15.076 3.285 1.00 0.00 C ATOM 1174 CD ARG A 80 1.111 -15.887 2.438 1.00 0.00 C ATOM 1175 NE ARG A 80 0.526 -17.151 1.996 1.00 0.00 N ATOM 1176 CZ ARG A 80 0.183 -18.131 2.824 1.00 0.00 C ATOM 1177 NH1 ARG A 80 0.365 -17.995 4.130 1.00 0.00 N ATOM 1178 NH2 ARG A 80 -0.344 -19.251 2.346 1.00 0.00 N ATOM 0 H ARG A 80 -1.034 -12.749 3.405 1.00 0.00 H new ATOM 0 HA ARG A 80 1.611 -12.125 4.393 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.864 -14.554 4.442 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.340 -14.092 5.174 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.492 -15.750 3.861 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.515 -14.498 2.636 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.410 -15.302 1.568 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.015 -16.087 3.013 1.00 0.00 H new ATOM 0 HE ARG A 80 0.373 -17.288 0.997 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.770 -17.136 4.502 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.100 -18.750 4.763 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.486 -19.360 1.342 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.607 -20.003 2.983 1.00 0.00 H new ATOM 1192 N ILE A 81 3.132 -12.599 2.449 1.00 0.00 N ATOM 1193 CA ILE A 81 3.983 -12.618 1.266 1.00 0.00 C ATOM 1194 C ILE A 81 4.988 -13.764 1.329 1.00 0.00 C ATOM 1195 O ILE A 81 6.105 -13.597 1.817 1.00 0.00 O ATOM 1196 CB ILE A 81 4.746 -11.290 1.099 1.00 0.00 C ATOM 1197 CG1 ILE A 81 3.770 -10.151 0.798 1.00 0.00 C ATOM 1198 CG2 ILE A 81 5.785 -11.411 -0.006 1.00 0.00 C ATOM 1199 CD1 ILE A 81 4.341 -8.777 1.075 1.00 0.00 C ATOM 0 H ILE A 81 3.632 -12.452 3.326 1.00 0.00 H new ATOM 0 HA ILE A 81 3.326 -12.761 0.408 1.00 0.00 H new ATOM 0 HB ILE A 81 5.262 -11.064 2.032 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.470 -10.207 -0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.869 -10.288 1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.316 -10.465 -0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.495 -12.199 0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.290 -11.656 -0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.595 -8.018 0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.615 -8.702 2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.226 -8.620 0.458 1.00 0.00 H new ATOM 1211 N GLY A 82 4.582 -14.927 0.830 1.00 0.00 N ATOM 1212 CA GLY A 82 5.460 -16.083 0.838 1.00 0.00 C ATOM 1213 C GLY A 82 5.189 -17.008 2.008 1.00 0.00 C ATOM 1214 O GLY A 82 5.144 -18.229 1.847 1.00 0.00 O ATOM 0 H GLY A 82 3.662 -15.090 0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.337 -16.635 -0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.497 -15.748 0.876 1.00 0.00 H new ATOM 1218 N HIS A 83 5.012 -16.427 3.190 1.00 0.00 N ATOM 1219 CA HIS A 83 4.747 -17.208 4.393 1.00 0.00 C ATOM 1220 C HIS A 83 4.823 -16.330 5.639 1.00 0.00 C ATOM 1221 O HIS A 83 5.389 -16.728 6.657 1.00 0.00 O ATOM 1222 CB HIS A 83 5.741 -18.363 4.508 1.00 0.00 C ATOM 1223 CG HIS A 83 7.141 -17.987 4.130 1.00 0.00 C ATOM 1224 ND1 HIS A 83 7.743 -16.816 4.540 1.00 0.00 N ATOM 1225 CD2 HIS A 83 8.059 -18.636 3.376 1.00 0.00 C ATOM 1226 CE1 HIS A 83 8.970 -16.760 4.053 1.00 0.00 C ATOM 1227 NE2 HIS A 83 9.186 -17.853 3.344 1.00 0.00 N ATOM 0 H HIS A 83 5.047 -15.419 3.341 1.00 0.00 H new ATOM 0 HA HIS A 83 3.738 -17.614 4.316 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.737 -18.734 5.533 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.409 -19.183 3.871 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.929 -19.592 2.890 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.676 -15.957 4.208 1.00 0.00 H new ATOM 0 HE2 HIS A 83 10.051 -18.079 2.852 1.00 0.00 H new ATOM 1235 N ARG A 84 4.249 -15.134 5.550 1.00 0.00 N ATOM 1236 CA ARG A 84 4.254 -14.199 6.669 1.00 0.00 C ATOM 1237 C ARG A 84 3.227 -13.091 6.456 1.00 0.00 C ATOM 1238 O ARG A 84 3.420 -12.202 5.626 1.00 0.00 O ATOM 1239 CB ARG A 84 5.647 -13.591 6.846 1.00 0.00 C ATOM 1240 CG ARG A 84 6.410 -14.153 8.035 1.00 0.00 C ATOM 1241 CD ARG A 84 6.171 -13.327 9.290 1.00 0.00 C ATOM 1242 NE ARG A 84 6.695 -13.983 10.485 1.00 0.00 N ATOM 1243 CZ ARG A 84 6.643 -13.449 11.700 1.00 0.00 C ATOM 1244 NH1 ARG A 84 6.095 -12.255 11.880 1.00 0.00 N ATOM 1245 NH2 ARG A 84 7.142 -14.108 12.738 1.00 0.00 N ATOM 0 H ARG A 84 3.775 -14.790 4.715 1.00 0.00 H new ATOM 0 HA ARG A 84 3.987 -14.749 7.571 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.227 -13.762 5.939 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.551 -12.512 6.964 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.102 -15.184 8.212 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.476 -14.173 7.808 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.642 -12.351 9.176 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.102 -13.153 9.411 1.00 0.00 H new ATOM 0 HE ARG A 84 7.125 -14.902 10.381 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.712 -11.744 11.084 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.056 -11.847 12.814 1.00 0.00 H new ATOM 0 HH21 ARG A 84 7.566 -15.026 12.603 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.101 -13.697 13.671 1.00 0.00 H new ATOM 1259 N TYR A 85 2.135 -13.151 7.210 1.00 0.00 N ATOM 1260 CA TYR A 85 1.076 -12.155 7.103 1.00 0.00 C ATOM 1261 C TYR A 85 1.642 -10.743 7.224 1.00 0.00 C ATOM 1262 O TYR A 85 2.543 -10.490 8.023 1.00 0.00 O ATOM 1263 CB TYR A 85 0.018 -12.386 8.183 1.00 0.00 C ATOM 1264 CG TYR A 85 -0.697 -13.713 8.056 1.00 0.00 C ATOM 1265 CD1 TYR A 85 -1.479 -13.999 6.944 1.00 0.00 C ATOM 1266 CD2 TYR A 85 -0.589 -14.680 9.048 1.00 0.00 C ATOM 1267 CE1 TYR A 85 -2.135 -15.209 6.825 1.00 0.00 C ATOM 1268 CE2 TYR A 85 -1.239 -15.893 8.936 1.00 0.00 C ATOM 1269 CZ TYR A 85 -2.012 -16.153 7.823 1.00 0.00 C ATOM 1270 OH TYR A 85 -2.662 -17.360 7.708 1.00 0.00 O ATOM 0 H TYR A 85 1.960 -13.879 7.902 1.00 0.00 H new ATOM 0 HA TYR A 85 0.613 -12.259 6.122 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.493 -12.331 9.163 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.716 -11.581 8.139 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.576 -13.263 6.159 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.014 -14.479 9.921 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -2.741 -15.415 5.955 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.143 -16.634 9.715 1.00 0.00 H new ATOM 0 HH TYR A 85 -2.470 -17.911 8.495 1.00 0.00 H new ATOM 1280 N ILE A 86 1.105 -9.828 6.423 1.00 0.00 N ATOM 1281 CA ILE A 86 1.554 -8.442 6.441 1.00 0.00 C ATOM 1282 C ILE A 86 0.460 -7.516 6.962 1.00 0.00 C ATOM 1283 O ILE A 86 -0.686 -7.583 6.518 1.00 0.00 O ATOM 1284 CB ILE A 86 1.983 -7.971 5.039 1.00 0.00 C ATOM 1285 CG1 ILE A 86 2.841 -9.040 4.359 1.00 0.00 C ATOM 1286 CG2 ILE A 86 2.742 -6.656 5.130 1.00 0.00 C ATOM 1287 CD1 ILE A 86 4.308 -8.957 4.719 1.00 0.00 C ATOM 0 H ILE A 86 0.359 -10.022 5.755 1.00 0.00 H new ATOM 0 HA ILE A 86 2.414 -8.398 7.110 1.00 0.00 H new ATOM 0 HB ILE A 86 1.089 -7.811 4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.463 -10.025 4.632 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.735 -8.946 3.278 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.038 -6.337 4.131 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.102 -5.897 5.579 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.631 -6.791 5.746 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.855 -9.745 4.201 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.701 -7.985 4.420 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.426 -9.081 5.795 1.00 0.00 H new ATOM 1299 N GLU A 87 0.823 -6.652 7.904 1.00 0.00 N ATOM 1300 CA GLU A 87 -0.129 -5.711 8.486 1.00 0.00 C ATOM 1301 C GLU A 87 0.040 -4.322 7.879 1.00 0.00 C ATOM 1302 O GLU A 87 1.058 -3.661 8.088 1.00 0.00 O ATOM 1303 CB GLU A 87 0.050 -5.643 10.004 1.00 0.00 C ATOM 1304 CG GLU A 87 -0.421 -6.891 10.729 1.00 0.00 C ATOM 1305 CD GLU A 87 -0.196 -6.816 12.226 1.00 0.00 C ATOM 1306 OE1 GLU A 87 -0.349 -5.714 12.794 1.00 0.00 O ATOM 1307 OE2 GLU A 87 0.132 -7.857 12.832 1.00 0.00 O ATOM 0 H GLU A 87 1.768 -6.583 8.281 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.135 -6.066 8.263 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.103 -5.478 10.230 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.497 -4.782 10.388 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.482 -7.042 10.532 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.104 -7.759 10.330 1.00 0.00 H new ATOM 1314 N ILE A 88 -0.964 -3.886 7.125 1.00 0.00 N ATOM 1315 CA ILE A 88 -0.927 -2.574 6.489 1.00 0.00 C ATOM 1316 C ILE A 88 -1.741 -1.556 7.280 1.00 0.00 C ATOM 1317 O ILE A 88 -2.871 -1.828 7.685 1.00 0.00 O ATOM 1318 CB ILE A 88 -1.462 -2.634 5.046 1.00 0.00 C ATOM 1319 CG1 ILE A 88 -0.611 -3.585 4.203 1.00 0.00 C ATOM 1320 CG2 ILE A 88 -1.480 -1.243 4.430 1.00 0.00 C ATOM 1321 CD1 ILE A 88 -1.402 -4.332 3.151 1.00 0.00 C ATOM 0 H ILE A 88 -1.812 -4.421 6.940 1.00 0.00 H new ATOM 0 HA ILE A 88 0.117 -2.262 6.468 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.484 -3.014 5.068 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.180 -3.016 3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.126 -4.306 4.861 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.860 -1.302 3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.124 -0.592 5.021 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.468 -0.838 4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.735 -4.988 2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.176 -4.929 3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.865 -3.619 2.469 1.00 0.00 H new ATOM 1333 N PHE A 89 -1.159 -0.380 7.495 1.00 0.00 N ATOM 1334 CA PHE A 89 -1.831 0.680 8.237 1.00 0.00 C ATOM 1335 C PHE A 89 -1.559 2.042 7.604 1.00 0.00 C ATOM 1336 O PHE A 89 -0.407 2.446 7.442 1.00 0.00 O ATOM 1337 CB PHE A 89 -1.371 0.682 9.696 1.00 0.00 C ATOM 1338 CG PHE A 89 -1.606 -0.624 10.400 1.00 0.00 C ATOM 1339 CD1 PHE A 89 -2.893 -1.092 10.608 1.00 0.00 C ATOM 1340 CD2 PHE A 89 -0.539 -1.383 10.855 1.00 0.00 C ATOM 1341 CE1 PHE A 89 -3.113 -2.292 11.256 1.00 0.00 C ATOM 1342 CE2 PHE A 89 -0.754 -2.584 11.503 1.00 0.00 C ATOM 1343 CZ PHE A 89 -2.042 -3.040 11.704 1.00 0.00 C ATOM 0 H PHE A 89 -0.224 -0.138 7.166 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.904 0.490 8.203 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.308 0.920 9.733 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.894 1.474 10.232 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.735 -0.512 10.259 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.471 -1.032 10.701 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.122 -2.645 11.412 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.086 -3.167 11.853 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.211 -3.979 12.210 1.00 0.00 H new ATOM 1353 N LYS A 90 -2.629 2.746 7.248 1.00 0.00 N ATOM 1354 CA LYS A 90 -2.509 4.063 6.634 1.00 0.00 C ATOM 1355 C LYS A 90 -1.523 4.935 7.405 1.00 0.00 C ATOM 1356 O LYS A 90 -1.578 5.014 8.633 1.00 0.00 O ATOM 1357 CB LYS A 90 -3.875 4.748 6.576 1.00 0.00 C ATOM 1358 CG LYS A 90 -4.249 5.244 5.190 1.00 0.00 C ATOM 1359 CD LYS A 90 -3.354 6.389 4.747 1.00 0.00 C ATOM 1360 CE LYS A 90 -3.787 6.946 3.400 1.00 0.00 C ATOM 1361 NZ LYS A 90 -4.497 8.248 3.539 1.00 0.00 N ATOM 0 H LYS A 90 -3.589 2.426 7.374 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.133 3.930 5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.637 4.049 6.920 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.879 5.591 7.268 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.172 4.424 4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.289 5.572 5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.379 7.182 5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.322 6.042 4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.912 7.076 2.763 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.439 6.228 2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.305 8.839 2.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.520 8.079 3.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.162 8.737 4.394 1.00 0.00 H new ATOM 1375 N SER A 91 -0.624 5.590 6.678 1.00 0.00 N ATOM 1376 CA SER A 91 0.375 6.455 7.295 1.00 0.00 C ATOM 1377 C SER A 91 0.590 7.716 6.463 1.00 0.00 C ATOM 1378 O SER A 91 -0.133 7.968 5.498 1.00 0.00 O ATOM 1379 CB SER A 91 1.699 5.706 7.457 1.00 0.00 C ATOM 1380 OG SER A 91 2.557 6.377 8.362 1.00 0.00 O ATOM 0 H SER A 91 -0.567 5.538 5.661 1.00 0.00 H new ATOM 0 HA SER A 91 0.008 6.747 8.279 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.507 4.695 7.815 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.189 5.613 6.488 1.00 0.00 H new ATOM 0 HG SER A 91 3.448 5.971 8.330 1.00 0.00 H new ATOM 1386 N SER A 92 1.589 8.506 6.843 1.00 0.00 N ATOM 1387 CA SER A 92 1.898 9.743 6.136 1.00 0.00 C ATOM 1388 C SER A 92 3.406 9.932 6.006 1.00 0.00 C ATOM 1389 O SER A 92 4.185 9.313 6.731 1.00 0.00 O ATOM 1390 CB SER A 92 1.283 10.939 6.865 1.00 0.00 C ATOM 1391 OG SER A 92 0.038 11.300 6.293 1.00 0.00 O ATOM 0 H SER A 92 2.199 8.311 7.637 1.00 0.00 H new ATOM 0 HA SER A 92 1.470 9.678 5.136 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.146 10.695 7.918 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.967 11.787 6.820 1.00 0.00 H new ATOM 0 HG SER A 92 -0.335 12.066 6.778 1.00 0.00 H new ATOM 1397 N ARG A 93 3.810 10.791 5.076 1.00 0.00 N ATOM 1398 CA ARG A 93 5.225 11.063 4.850 1.00 0.00 C ATOM 1399 C ARG A 93 5.864 11.686 6.087 1.00 0.00 C ATOM 1400 O ARG A 93 7.054 11.502 6.341 1.00 0.00 O ATOM 1401 CB ARG A 93 5.401 11.993 3.647 1.00 0.00 C ATOM 1402 CG ARG A 93 6.824 12.497 3.471 1.00 0.00 C ATOM 1403 CD ARG A 93 7.160 12.716 2.005 1.00 0.00 C ATOM 1404 NE ARG A 93 8.509 13.246 1.825 1.00 0.00 N ATOM 1405 CZ ARG A 93 9.089 13.393 0.640 1.00 0.00 C ATOM 1406 NH1 ARG A 93 8.441 13.053 -0.466 1.00 0.00 N ATOM 1407 NH2 ARG A 93 10.320 13.883 0.558 1.00 0.00 N ATOM 0 H ARG A 93 3.178 11.311 4.467 1.00 0.00 H new ATOM 0 HA ARG A 93 5.723 10.116 4.644 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.097 11.466 2.743 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.733 12.847 3.758 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.950 13.431 4.018 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.521 11.779 3.902 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.067 11.773 1.467 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.438 13.406 1.567 1.00 0.00 H new ATOM 0 HE ARG A 93 9.035 13.518 2.656 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.494 12.677 -0.407 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.889 13.167 -1.375 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.821 14.147 1.406 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.765 13.995 -0.353 1.00 0.00 H new