USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 610 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 49 CYS SG : rot -89:sc=-0.00106 USER MOD Set 1.2: A 82 GLN : amide:sc= -2.64! C(o=-2.6!,f=-4.7!) USER MOD Set 2.1: A 25 SER OG : rot -151:sc= 0.581 USER MOD Set 2.2: A 47 GLN : amide:sc= 0.556 K(o=1.1,f=0.61) USER MOD Single : A 13 GLN : amide:sc= -0.641 X(o=-0.64,f=-0.18) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.262 X(o=-0.26,f=0) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0753 K(o=-0.075,f=-0.59) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.106 X(o=-0.11,f=0.0073) USER MOD Single : A 40 GLN : amide:sc= -0.0206 K(o=-0.021,f=-2!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0673 USER MOD Single : A 56 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.32) USER MOD Single : A 62 HIS : no HD1:sc= -0.915 K(o=-0.91,f=-0.13) USER MOD Single : A 66 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.0098) USER MOD Single : A 67 GLN : amide:sc= -0.868 K(o=-0.87,f=-0.32) USER MOD Single : A 68 GLN : amide:sc= -0.345 K(o=-0.34,f=-2.8!) USER MOD Single : A 71 GLN : amide:sc= -1.47 K(o=-1.5,f=-2.1!) USER MOD Single : A 78 HIS : no HE2:sc= -1.36 X(o=-1.4,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 191 N GLY A 12 -9.149 1.688 -5.822 1.00 0.00 N ATOM 192 CA GLY A 12 -10.367 1.007 -5.424 1.00 0.00 C ATOM 193 C GLY A 12 -10.123 -0.038 -4.353 1.00 0.00 C ATOM 194 O GLY A 12 -10.819 -0.070 -3.338 1.00 0.00 O ATOM 0 HA2 GLY A 12 -11.085 1.739 -5.056 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.815 0.531 -6.296 1.00 0.00 H new ATOM 198 N GLN A 13 -9.133 -0.895 -4.580 1.00 0.00 N ATOM 199 CA GLN A 13 -8.798 -1.947 -3.627 1.00 0.00 C ATOM 200 C GLN A 13 -8.250 -1.355 -2.333 1.00 0.00 C ATOM 201 O GLN A 13 -8.620 -1.781 -1.239 1.00 0.00 O ATOM 202 CB GLN A 13 -7.775 -2.908 -4.235 1.00 0.00 C ATOM 203 CG GLN A 13 -7.714 -4.256 -3.534 1.00 0.00 C ATOM 204 CD GLN A 13 -8.961 -5.088 -3.758 1.00 0.00 C ATOM 205 OE1 GLN A 13 -9.025 -5.895 -4.685 1.00 0.00 O ATOM 206 NE2 GLN A 13 -9.962 -4.894 -2.907 1.00 0.00 N ATOM 0 H GLN A 13 -8.549 -0.882 -5.416 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.710 -2.497 -3.396 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.017 -3.065 -5.286 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.789 -2.445 -4.200 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.845 -4.808 -3.891 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.574 -4.099 -2.464 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.866 -4.214 -2.153 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.827 -5.425 -3.008 1.00 0.00 H new ATOM 215 N LEU A 14 -7.367 -0.371 -2.465 1.00 0.00 N ATOM 216 CA LEU A 14 -6.769 0.278 -1.304 1.00 0.00 C ATOM 217 C LEU A 14 -7.807 1.096 -0.542 1.00 0.00 C ATOM 218 O LEU A 14 -7.700 1.276 0.670 1.00 0.00 O ATOM 219 CB LEU A 14 -5.610 1.178 -1.736 1.00 0.00 C ATOM 220 CG LEU A 14 -4.434 1.235 -0.759 1.00 0.00 C ATOM 221 CD1 LEU A 14 -3.136 1.512 -1.502 1.00 0.00 C ATOM 222 CD2 LEU A 14 -4.678 2.294 0.305 1.00 0.00 C ATOM 0 H LEU A 14 -7.050 -0.006 -3.363 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.388 -0.499 -0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.243 0.833 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.990 2.189 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.347 0.266 -0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.311 1.549 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.955 0.718 -2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.211 2.467 -2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.832 2.321 0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.791 3.268 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.586 2.052 0.857 1.00 0.00 H new ATOM 234 N ALA A 15 -8.810 1.590 -1.262 1.00 0.00 N ATOM 235 CA ALA A 15 -9.866 2.391 -0.653 1.00 0.00 C ATOM 236 C ALA A 15 -10.733 1.547 0.275 1.00 0.00 C ATOM 237 O ALA A 15 -10.980 1.922 1.421 1.00 0.00 O ATOM 238 CB ALA A 15 -10.721 3.040 -1.730 1.00 0.00 C ATOM 0 H ALA A 15 -8.913 1.450 -2.267 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.396 3.172 -0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.505 3.635 -1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.098 3.684 -2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.173 2.267 -2.351 1.00 0.00 H new ATOM 244 N THR A 16 -11.195 0.407 -0.228 1.00 0.00 N ATOM 245 CA THR A 16 -12.037 -0.489 0.557 1.00 0.00 C ATOM 246 C THR A 16 -11.248 -1.122 1.698 1.00 0.00 C ATOM 247 O THR A 16 -11.723 -1.192 2.832 1.00 0.00 O ATOM 248 CB THR A 16 -12.626 -1.580 -0.338 1.00 0.00 C ATOM 249 OG1 THR A 16 -13.552 -2.374 0.381 1.00 0.00 O ATOM 250 CG2 THR A 16 -11.580 -2.508 -0.919 1.00 0.00 C ATOM 0 H THR A 16 -11.001 0.082 -1.175 1.00 0.00 H new ATOM 0 HA THR A 16 -12.848 0.099 0.986 1.00 0.00 H new ATOM 0 HB THR A 16 -13.113 -1.049 -1.156 1.00 0.00 H new ATOM 0 HG1 THR A 16 -13.918 -3.065 -0.210 1.00 0.00 H new ATOM 0 HG21 THR A 16 -12.065 -3.258 -1.544 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.878 -1.933 -1.522 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.043 -3.003 -0.110 1.00 0.00 H new ATOM 258 N LEU A 17 -10.042 -1.586 1.388 1.00 0.00 N ATOM 259 CA LEU A 17 -9.185 -2.220 2.384 1.00 0.00 C ATOM 260 C LEU A 17 -8.901 -1.276 3.550 1.00 0.00 C ATOM 261 O LEU A 17 -9.128 -1.621 4.709 1.00 0.00 O ATOM 262 CB LEU A 17 -7.869 -2.665 1.744 1.00 0.00 C ATOM 263 CG LEU A 17 -7.015 -3.601 2.606 1.00 0.00 C ATOM 264 CD1 LEU A 17 -6.732 -4.901 1.868 1.00 0.00 C ATOM 265 CD2 LEU A 17 -5.714 -2.920 3.006 1.00 0.00 C ATOM 0 H LEU A 17 -9.635 -1.535 0.454 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.711 -3.093 2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.091 -3.165 0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.281 -1.779 1.504 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.573 -3.836 3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.124 -5.552 2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.673 -5.399 1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.195 -4.685 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.121 -3.600 3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.152 -2.654 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.936 -2.018 3.577 1.00 0.00 H new ATOM 277 N ARG A 18 -8.399 -0.086 3.235 1.00 0.00 N ATOM 278 CA ARG A 18 -8.080 0.903 4.259 1.00 0.00 C ATOM 279 C ARG A 18 -9.338 1.354 4.998 1.00 0.00 C ATOM 280 O ARG A 18 -9.283 1.710 6.175 1.00 0.00 O ATOM 281 CB ARG A 18 -7.376 2.111 3.632 1.00 0.00 C ATOM 282 CG ARG A 18 -8.290 2.983 2.784 1.00 0.00 C ATOM 283 CD ARG A 18 -7.493 3.903 1.873 1.00 0.00 C ATOM 284 NE ARG A 18 -7.073 5.122 2.560 1.00 0.00 N ATOM 285 CZ ARG A 18 -7.870 6.168 2.769 1.00 0.00 C ATOM 286 NH1 ARG A 18 -9.126 6.151 2.339 1.00 0.00 N ATOM 287 NH2 ARG A 18 -7.410 7.234 3.409 1.00 0.00 N ATOM 0 H ARG A 18 -8.205 0.217 2.281 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.409 0.436 4.980 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.943 2.720 4.426 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.550 1.758 3.014 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.943 2.351 2.183 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.932 3.579 3.433 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.615 3.375 1.502 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.097 4.166 1.005 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.113 5.175 2.900 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.485 5.334 1.846 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.732 6.955 2.502 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.446 7.253 3.741 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.020 8.035 3.569 1.00 0.00 H new ATOM 301 N GLN A 19 -10.468 1.339 4.300 1.00 0.00 N ATOM 302 CA GLN A 19 -11.737 1.749 4.891 1.00 0.00 C ATOM 303 C GLN A 19 -12.173 0.772 5.979 1.00 0.00 C ATOM 304 O GLN A 19 -12.644 1.180 7.041 1.00 0.00 O ATOM 305 CB GLN A 19 -12.819 1.847 3.813 1.00 0.00 C ATOM 306 CG GLN A 19 -13.012 3.254 3.271 1.00 0.00 C ATOM 307 CD GLN A 19 -14.045 4.043 4.052 1.00 0.00 C ATOM 308 OE1 GLN A 19 -15.181 4.210 3.609 1.00 0.00 O ATOM 309 NE2 GLN A 19 -13.653 4.532 5.223 1.00 0.00 N ATOM 0 H GLN A 19 -10.532 1.048 3.325 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.597 2.730 5.345 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.561 1.182 2.989 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.764 1.493 4.225 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.060 3.783 3.298 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.317 3.198 2.226 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.701 4.369 5.551 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.304 5.071 5.794 1.00 0.00 H new ATOM 318 N ARG A 20 -12.015 -0.519 5.707 1.00 0.00 N ATOM 319 CA ARG A 20 -12.395 -1.553 6.662 1.00 0.00 C ATOM 320 C ARG A 20 -11.309 -1.749 7.716 1.00 0.00 C ATOM 321 O ARG A 20 -11.603 -1.960 8.892 1.00 0.00 O ATOM 322 CB ARG A 20 -12.662 -2.873 5.934 1.00 0.00 C ATOM 323 CG ARG A 20 -14.137 -3.133 5.669 1.00 0.00 C ATOM 324 CD ARG A 20 -14.544 -2.678 4.276 1.00 0.00 C ATOM 325 NE ARG A 20 -14.922 -3.801 3.422 1.00 0.00 N ATOM 326 CZ ARG A 20 -15.979 -4.579 3.644 1.00 0.00 C ATOM 327 NH1 ARG A 20 -16.766 -4.359 4.691 1.00 0.00 N ATOM 328 NH2 ARG A 20 -16.252 -5.579 2.817 1.00 0.00 N ATOM 0 H ARG A 20 -11.626 -0.874 4.833 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.307 -1.231 7.165 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.126 -2.870 4.985 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.257 -3.694 6.526 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.345 -4.197 5.780 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.739 -2.611 6.413 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.380 -1.983 4.352 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.718 -2.135 3.816 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.342 -4.001 2.607 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.562 -3.591 5.330 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.575 -4.958 4.856 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.652 -5.752 2.011 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -17.062 -6.175 2.987 1.00 0.00 H new ATOM 342 N CYS A 21 -10.054 -1.678 7.286 1.00 0.00 N ATOM 343 CA CYS A 21 -8.924 -1.848 8.194 1.00 0.00 C ATOM 344 C CYS A 21 -8.436 -0.503 8.730 1.00 0.00 C ATOM 345 O CYS A 21 -7.350 -0.413 9.303 1.00 0.00 O ATOM 346 CB CYS A 21 -7.779 -2.572 7.483 1.00 0.00 C ATOM 347 SG CYS A 21 -7.700 -4.345 7.830 1.00 0.00 S ATOM 0 H CYS A 21 -9.793 -1.504 6.315 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.261 -2.449 9.039 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.884 -2.427 6.408 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.835 -2.113 7.776 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.702 -4.870 7.183 1.00 0.00 H new ATOM 353 N ALA A 22 -9.240 0.541 8.544 1.00 0.00 N ATOM 354 CA ALA A 22 -8.880 1.874 9.013 1.00 0.00 C ATOM 355 C ALA A 22 -8.730 1.900 10.532 1.00 0.00 C ATOM 356 O ALA A 22 -7.673 2.257 11.053 1.00 0.00 O ATOM 357 CB ALA A 22 -9.919 2.891 8.561 1.00 0.00 C ATOM 0 H ALA A 22 -10.143 0.489 8.073 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.917 2.139 8.577 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.638 3.882 8.918 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.971 2.899 7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.893 2.622 8.969 1.00 0.00 H new ATOM 363 N PRO A 23 -9.792 1.524 11.267 1.00 0.00 N ATOM 364 CA PRO A 23 -9.776 1.509 12.731 1.00 0.00 C ATOM 365 C PRO A 23 -9.118 0.255 13.299 1.00 0.00 C ATOM 366 O PRO A 23 -9.695 -0.432 14.143 1.00 0.00 O ATOM 367 CB PRO A 23 -11.261 1.539 13.082 1.00 0.00 C ATOM 368 CG PRO A 23 -11.924 0.816 11.959 1.00 0.00 C ATOM 369 CD PRO A 23 -11.096 1.088 10.728 1.00 0.00 C ATOM 0 HA PRO A 23 -9.199 2.336 13.146 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.453 1.050 14.037 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.628 2.562 13.168 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.976 -0.253 12.163 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.948 1.165 11.823 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.995 0.196 10.109 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.549 1.859 10.104 1.00 0.00 H new ATOM 377 N VAL A 24 -7.907 -0.040 12.835 1.00 0.00 N ATOM 378 CA VAL A 24 -7.174 -1.211 13.302 1.00 0.00 C ATOM 379 C VAL A 24 -5.818 -0.822 13.887 1.00 0.00 C ATOM 380 O VAL A 24 -4.938 -1.667 14.048 1.00 0.00 O ATOM 381 CB VAL A 24 -6.957 -2.228 12.166 1.00 0.00 C ATOM 382 CG1 VAL A 24 -6.421 -3.541 12.717 1.00 0.00 C ATOM 383 CG2 VAL A 24 -8.249 -2.455 11.396 1.00 0.00 C ATOM 0 H VAL A 24 -7.413 0.516 12.136 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.782 -1.670 14.082 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.217 -1.820 11.478 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.274 -4.246 11.899 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.469 -3.364 13.218 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.135 -3.955 13.429 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.075 -3.177 10.598 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.013 -2.839 12.072 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.586 -1.512 10.966 1.00 0.00 H new ATOM 393 N SER A 25 -5.653 0.460 14.202 1.00 0.00 N ATOM 394 CA SER A 25 -4.402 0.954 14.766 1.00 0.00 C ATOM 395 C SER A 25 -4.176 0.401 16.170 1.00 0.00 C ATOM 396 O SER A 25 -3.037 0.234 16.606 1.00 0.00 O ATOM 397 CB SER A 25 -4.404 2.484 14.800 1.00 0.00 C ATOM 398 OG SER A 25 -3.183 3.007 14.308 1.00 0.00 O ATOM 0 H SER A 25 -6.370 1.174 14.076 1.00 0.00 H new ATOM 0 HA SER A 25 -3.587 0.612 14.129 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.233 2.863 14.202 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.565 2.828 15.822 1.00 0.00 H new ATOM 0 HG SER A 25 -3.001 3.870 14.735 1.00 0.00 H new ATOM 404 N GLN A 26 -5.267 0.121 16.876 1.00 0.00 N ATOM 405 CA GLN A 26 -5.185 -0.411 18.232 1.00 0.00 C ATOM 406 C GLN A 26 -4.561 -1.803 18.239 1.00 0.00 C ATOM 407 O GLN A 26 -3.753 -2.127 19.109 1.00 0.00 O ATOM 408 CB GLN A 26 -6.575 -0.459 18.869 1.00 0.00 C ATOM 409 CG GLN A 26 -6.550 -0.736 20.364 1.00 0.00 C ATOM 410 CD GLN A 26 -7.481 -1.864 20.765 1.00 0.00 C ATOM 411 OE1 GLN A 26 -8.535 -2.059 20.160 1.00 0.00 O ATOM 412 NE2 GLN A 26 -7.095 -2.613 21.792 1.00 0.00 N ATOM 0 H GLN A 26 -6.218 0.254 16.532 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.547 0.253 18.815 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.080 0.491 18.692 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.166 -1.230 18.375 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.533 -0.985 20.666 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.830 0.170 20.902 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.213 -2.415 22.264 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.681 -3.386 22.108 1.00 0.00 H new ATOM 421 N PHE A 27 -4.943 -2.624 17.266 1.00 0.00 N ATOM 422 CA PHE A 27 -4.422 -3.983 17.163 1.00 0.00 C ATOM 423 C PHE A 27 -3.572 -4.152 15.906 1.00 0.00 C ATOM 424 O PHE A 27 -3.444 -5.256 15.378 1.00 0.00 O ATOM 425 CB PHE A 27 -5.574 -4.991 17.158 1.00 0.00 C ATOM 426 CG PHE A 27 -5.539 -5.948 18.315 1.00 0.00 C ATOM 427 CD1 PHE A 27 -4.843 -7.143 18.222 1.00 0.00 C ATOM 428 CD2 PHE A 27 -6.202 -5.653 19.496 1.00 0.00 C ATOM 429 CE1 PHE A 27 -4.808 -8.025 19.285 1.00 0.00 C ATOM 430 CE2 PHE A 27 -6.171 -6.532 20.562 1.00 0.00 C ATOM 431 CZ PHE A 27 -5.473 -7.719 20.457 1.00 0.00 C ATOM 0 H PHE A 27 -5.611 -2.372 16.538 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.788 -4.169 18.030 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.520 -4.450 17.173 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.546 -5.558 16.227 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.322 -7.388 17.308 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.749 -4.726 19.584 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.261 -8.953 19.200 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.692 -6.291 21.477 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.447 -8.407 21.289 1.00 0.00 H new ATOM 441 N ALA A 28 -2.994 -3.053 15.432 1.00 0.00 N ATOM 442 CA ALA A 28 -2.159 -3.085 14.237 1.00 0.00 C ATOM 443 C ALA A 28 -0.708 -3.395 14.588 1.00 0.00 C ATOM 444 O ALA A 28 -0.083 -2.684 15.375 1.00 0.00 O ATOM 445 CB ALA A 28 -2.251 -1.760 13.496 1.00 0.00 C ATOM 0 H ALA A 28 -3.088 -2.130 15.857 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.526 -3.880 13.588 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.623 -1.797 12.606 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.285 -1.578 13.203 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.911 -0.955 14.147 1.00 0.00 H new ATOM 451 N THR A 29 -0.176 -4.460 13.995 1.00 0.00 N ATOM 452 CA THR A 29 1.203 -4.864 14.242 1.00 0.00 C ATOM 453 C THR A 29 1.801 -5.540 13.012 1.00 0.00 C ATOM 454 O THR A 29 1.123 -6.295 12.316 1.00 0.00 O ATOM 455 CB THR A 29 1.274 -5.807 15.443 1.00 0.00 C ATOM 456 OG1 THR A 29 0.234 -5.526 16.363 1.00 0.00 O ATOM 457 CG2 THR A 29 2.584 -5.722 16.194 1.00 0.00 C ATOM 0 H THR A 29 -0.680 -5.058 13.340 1.00 0.00 H new ATOM 0 HA THR A 29 1.784 -3.968 14.459 1.00 0.00 H new ATOM 0 HB THR A 29 1.175 -6.810 15.028 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.295 -6.141 17.124 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.568 -6.417 17.034 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.404 -5.981 15.525 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.725 -4.707 16.565 1.00 0.00 H new ATOM 465 N LEU A 30 3.074 -5.262 12.751 1.00 0.00 N ATOM 466 CA LEU A 30 3.763 -5.843 11.604 1.00 0.00 C ATOM 467 C LEU A 30 4.765 -6.904 12.050 1.00 0.00 C ATOM 468 O LEU A 30 5.592 -6.662 12.929 1.00 0.00 O ATOM 469 CB LEU A 30 4.479 -4.751 10.806 1.00 0.00 C ATOM 470 CG LEU A 30 3.663 -4.147 9.662 1.00 0.00 C ATOM 471 CD1 LEU A 30 4.252 -2.812 9.234 1.00 0.00 C ATOM 472 CD2 LEU A 30 3.606 -5.108 8.485 1.00 0.00 C ATOM 0 H LEU A 30 3.649 -4.639 13.318 1.00 0.00 H new ATOM 0 HA LEU A 30 3.018 -6.319 10.967 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.766 -3.952 11.489 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.400 -5.166 10.396 1.00 0.00 H new ATOM 0 HG LEU A 30 2.646 -3.976 10.016 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.659 -2.397 8.419 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.242 -2.122 10.078 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.278 -2.958 8.897 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.022 -4.663 7.680 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.617 -5.310 8.131 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.138 -6.041 8.799 1.00 0.00 H new ATOM 484 N SER A 31 4.685 -8.081 11.436 1.00 0.00 N ATOM 485 CA SER A 31 5.586 -9.179 11.769 1.00 0.00 C ATOM 486 C SER A 31 7.035 -8.800 11.483 1.00 0.00 C ATOM 487 O SER A 31 7.314 -7.716 10.972 1.00 0.00 O ATOM 488 CB SER A 31 5.209 -10.434 10.978 1.00 0.00 C ATOM 489 OG SER A 31 4.014 -11.011 11.475 1.00 0.00 O ATOM 0 H SER A 31 4.006 -8.298 10.706 1.00 0.00 H new ATOM 0 HA SER A 31 5.487 -9.386 12.835 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.083 -10.180 9.925 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.019 -11.161 11.036 1.00 0.00 H new ATOM 0 HG SER A 31 3.794 -11.810 10.952 1.00 0.00 H new ATOM 495 N ALA A 32 7.954 -9.700 11.818 1.00 0.00 N ATOM 496 CA ALA A 32 9.375 -9.458 11.598 1.00 0.00 C ATOM 497 C ALA A 32 9.789 -9.794 10.165 1.00 0.00 C ATOM 498 O ALA A 32 10.962 -9.683 9.811 1.00 0.00 O ATOM 499 CB ALA A 32 10.202 -10.265 12.588 1.00 0.00 C ATOM 0 H ALA A 32 7.740 -10.603 12.242 1.00 0.00 H new ATOM 0 HA ALA A 32 9.561 -8.396 11.755 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.262 -10.077 12.415 1.00 0.00 H new ATOM 0 HB2 ALA A 32 9.942 -9.970 13.605 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.995 -11.327 12.454 1.00 0.00 H new ATOM 505 N ARG A 33 8.824 -10.203 9.344 1.00 0.00 N ATOM 506 CA ARG A 33 9.102 -10.550 7.954 1.00 0.00 C ATOM 507 C ARG A 33 8.976 -9.332 7.040 1.00 0.00 C ATOM 508 O ARG A 33 9.003 -9.461 5.816 1.00 0.00 O ATOM 509 CB ARG A 33 8.149 -11.650 7.483 1.00 0.00 C ATOM 510 CG ARG A 33 8.290 -12.952 8.255 1.00 0.00 C ATOM 511 CD ARG A 33 7.193 -13.938 7.888 1.00 0.00 C ATOM 512 NE ARG A 33 7.552 -15.311 8.237 1.00 0.00 N ATOM 513 CZ ARG A 33 6.800 -16.370 7.945 1.00 0.00 C ATOM 514 NH1 ARG A 33 5.650 -16.219 7.300 1.00 0.00 N ATOM 515 NH2 ARG A 33 7.200 -17.584 8.298 1.00 0.00 N ATOM 0 H ARG A 33 7.846 -10.302 9.617 1.00 0.00 H new ATOM 0 HA ARG A 33 10.129 -10.912 7.901 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.123 -11.293 7.574 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.326 -11.844 6.425 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.264 -13.396 8.048 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.254 -12.748 9.325 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.272 -13.663 8.401 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.993 -13.876 6.818 1.00 0.00 H new ATOM 0 HE ARG A 33 8.430 -15.467 8.733 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.338 -15.288 7.025 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.078 -17.034 7.079 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.083 -17.706 8.793 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.624 -18.396 8.075 1.00 0.00 H new ATOM 529 N PHE A 34 8.837 -8.150 7.635 1.00 0.00 N ATOM 530 CA PHE A 34 8.706 -6.920 6.871 1.00 0.00 C ATOM 531 C PHE A 34 9.982 -6.621 6.088 1.00 0.00 C ATOM 532 O PHE A 34 11.088 -6.869 6.567 1.00 0.00 O ATOM 533 CB PHE A 34 8.378 -5.758 7.810 1.00 0.00 C ATOM 534 CG PHE A 34 9.528 -5.339 8.684 1.00 0.00 C ATOM 535 CD1 PHE A 34 9.823 -6.034 9.846 1.00 0.00 C ATOM 536 CD2 PHE A 34 10.313 -4.250 8.341 1.00 0.00 C ATOM 537 CE1 PHE A 34 10.880 -5.651 10.649 1.00 0.00 C ATOM 538 CE2 PHE A 34 11.371 -3.862 9.141 1.00 0.00 C ATOM 539 CZ PHE A 34 11.655 -4.563 10.296 1.00 0.00 C ATOM 0 H PHE A 34 8.813 -8.022 8.647 1.00 0.00 H new ATOM 0 HA PHE A 34 7.893 -7.045 6.155 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.056 -4.903 7.216 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.537 -6.041 8.443 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.220 -6.885 10.127 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.096 -3.698 7.438 1.00 0.00 H new ATOM 0 HE1 PHE A 34 11.100 -6.201 11.552 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.975 -3.011 8.863 1.00 0.00 H new ATOM 0 HZ PHE A 34 12.481 -4.261 10.922 1.00 0.00 H new ATOM 549 N ASP A 35 9.820 -6.084 4.883 1.00 0.00 N ATOM 550 CA ASP A 35 10.958 -5.747 4.037 1.00 0.00 C ATOM 551 C ASP A 35 10.974 -4.254 3.726 1.00 0.00 C ATOM 552 O ASP A 35 10.039 -3.728 3.125 1.00 0.00 O ATOM 553 CB ASP A 35 10.912 -6.552 2.737 1.00 0.00 C ATOM 554 CG ASP A 35 11.704 -7.841 2.827 1.00 0.00 C ATOM 555 OD1 ASP A 35 11.591 -8.536 3.858 1.00 0.00 O ATOM 556 OD2 ASP A 35 12.437 -8.156 1.866 1.00 0.00 O ATOM 0 H ASP A 35 8.911 -5.873 4.471 1.00 0.00 H new ATOM 0 HA ASP A 35 11.871 -6.000 4.577 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.875 -6.782 2.492 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.305 -5.944 1.922 1.00 0.00 H new ATOM 561 N ARG A 36 12.038 -3.577 4.142 1.00 0.00 N ATOM 562 CA ARG A 36 12.172 -2.143 3.911 1.00 0.00 C ATOM 563 C ARG A 36 12.135 -1.813 2.419 1.00 0.00 C ATOM 564 O ARG A 36 11.880 -0.671 2.035 1.00 0.00 O ATOM 565 CB ARG A 36 13.475 -1.628 4.525 1.00 0.00 C ATOM 566 CG ARG A 36 13.437 -1.536 6.042 1.00 0.00 C ATOM 567 CD ARG A 36 14.808 -1.214 6.615 1.00 0.00 C ATOM 568 NE ARG A 36 14.719 -0.609 7.942 1.00 0.00 N ATOM 569 CZ ARG A 36 14.419 0.670 8.155 1.00 0.00 C ATOM 570 NH1 ARG A 36 14.181 1.482 7.132 1.00 0.00 N ATOM 571 NH2 ARG A 36 14.356 1.138 9.393 1.00 0.00 N ATOM 0 H ARG A 36 12.821 -3.998 4.641 1.00 0.00 H new ATOM 0 HA ARG A 36 11.327 -1.648 4.389 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.292 -2.287 4.229 1.00 0.00 H new ATOM 0 HB3 ARG A 36 13.696 -0.643 4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.726 -0.767 6.343 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.081 -2.479 6.456 1.00 0.00 H new ATOM 0 HD2 ARG A 36 15.401 -2.127 6.672 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.332 -0.536 5.942 1.00 0.00 H new ATOM 0 HE ARG A 36 14.897 -1.202 8.753 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.228 1.126 6.177 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.951 2.461 7.301 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.537 0.518 10.182 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.126 2.118 9.557 1.00 0.00 H new ATOM 585 N HIS A 37 12.397 -2.813 1.582 1.00 0.00 N ATOM 586 CA HIS A 37 12.398 -2.617 0.137 1.00 0.00 C ATOM 587 C HIS A 37 10.979 -2.480 -0.407 1.00 0.00 C ATOM 588 O HIS A 37 10.708 -1.624 -1.249 1.00 0.00 O ATOM 589 CB HIS A 37 13.109 -3.783 -0.554 1.00 0.00 C ATOM 590 CG HIS A 37 13.627 -3.444 -1.917 1.00 0.00 C ATOM 591 ND1 HIS A 37 14.575 -4.202 -2.572 1.00 0.00 N ATOM 592 CD2 HIS A 37 13.324 -2.421 -2.751 1.00 0.00 C ATOM 593 CE1 HIS A 37 14.833 -3.659 -3.749 1.00 0.00 C ATOM 594 NE2 HIS A 37 14.087 -2.578 -3.882 1.00 0.00 N ATOM 0 H HIS A 37 12.611 -3.765 1.879 1.00 0.00 H new ATOM 0 HA HIS A 37 12.933 -1.691 -0.073 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.940 -4.113 0.070 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.418 -4.622 -0.635 1.00 0.00 H new ATOM 0 HD2 HIS A 37 12.614 -1.629 -2.562 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.535 -4.036 -4.478 1.00 0.00 H new ATOM 0 HE2 HIS A 37 14.079 -1.960 -4.693 1.00 0.00 H new ATOM 603 N LEU A 38 10.076 -3.331 0.072 1.00 0.00 N ATOM 604 CA LEU A 38 8.688 -3.303 -0.378 1.00 0.00 C ATOM 605 C LEU A 38 7.813 -2.466 0.554 1.00 0.00 C ATOM 606 O LEU A 38 6.713 -2.057 0.183 1.00 0.00 O ATOM 607 CB LEU A 38 8.132 -4.725 -0.476 1.00 0.00 C ATOM 608 CG LEU A 38 8.106 -5.504 0.840 1.00 0.00 C ATOM 609 CD1 LEU A 38 6.796 -5.266 1.574 1.00 0.00 C ATOM 610 CD2 LEU A 38 8.313 -6.989 0.582 1.00 0.00 C ATOM 0 H LEU A 38 10.280 -4.047 0.770 1.00 0.00 H new ATOM 0 HA LEU A 38 8.671 -2.840 -1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.117 -4.675 -0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.728 -5.283 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 38 8.921 -5.147 1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.795 -5.828 2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.688 -4.203 1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.965 -5.596 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.292 -7.529 1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.518 -7.360 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.277 -7.143 0.098 1.00 0.00 H new ATOM 622 N PHE A 39 8.302 -2.216 1.765 1.00 0.00 N ATOM 623 CA PHE A 39 7.557 -1.430 2.742 1.00 0.00 C ATOM 624 C PHE A 39 8.252 -0.102 3.018 1.00 0.00 C ATOM 625 O PHE A 39 9.448 0.050 2.768 1.00 0.00 O ATOM 626 CB PHE A 39 7.400 -2.215 4.045 1.00 0.00 C ATOM 627 CG PHE A 39 6.171 -3.077 4.083 1.00 0.00 C ATOM 628 CD1 PHE A 39 4.943 -2.572 3.684 1.00 0.00 C ATOM 629 CD2 PHE A 39 6.243 -4.390 4.517 1.00 0.00 C ATOM 630 CE1 PHE A 39 3.810 -3.363 3.718 1.00 0.00 C ATOM 631 CE2 PHE A 39 5.113 -5.186 4.552 1.00 0.00 C ATOM 632 CZ PHE A 39 3.895 -4.671 4.152 1.00 0.00 C ATOM 0 H PHE A 39 9.210 -2.546 2.093 1.00 0.00 H new ATOM 0 HA PHE A 39 6.570 -1.224 2.327 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.279 -2.843 4.189 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.368 -1.515 4.880 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.871 -1.550 3.343 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.193 -4.797 4.832 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.859 -2.958 3.405 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.182 -6.209 4.892 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.011 -5.291 4.179 1.00 0.00 H new ATOM 642 N GLN A 40 7.493 0.857 3.535 1.00 0.00 N ATOM 643 CA GLN A 40 8.031 2.176 3.848 1.00 0.00 C ATOM 644 C GLN A 40 8.870 2.132 5.122 1.00 0.00 C ATOM 645 O GLN A 40 8.846 1.146 5.859 1.00 0.00 O ATOM 646 CB GLN A 40 6.894 3.190 4.001 1.00 0.00 C ATOM 647 CG GLN A 40 6.832 4.208 2.874 1.00 0.00 C ATOM 648 CD GLN A 40 7.940 5.239 2.958 1.00 0.00 C ATOM 649 OE1 GLN A 40 9.107 4.935 2.711 1.00 0.00 O ATOM 650 NE2 GLN A 40 7.579 6.468 3.309 1.00 0.00 N ATOM 0 H GLN A 40 6.501 0.746 3.747 1.00 0.00 H new ATOM 0 HA GLN A 40 8.674 2.486 3.024 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.945 2.655 4.049 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.012 3.716 4.948 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.895 3.690 1.917 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.867 4.714 2.899 1.00 0.00 H new ATOM 0 HE21 GLN A 40 6.600 6.676 3.505 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.281 7.204 3.383 1.00 0.00 H new ATOM 659 N THR A 41 9.609 3.207 5.375 1.00 0.00 N ATOM 660 CA THR A 41 10.454 3.291 6.560 1.00 0.00 C ATOM 661 C THR A 41 9.608 3.430 7.822 1.00 0.00 C ATOM 662 O THR A 41 9.990 2.957 8.893 1.00 0.00 O ATOM 663 CB THR A 41 11.415 4.475 6.443 1.00 0.00 C ATOM 664 OG1 THR A 41 12.157 4.402 5.239 1.00 0.00 O ATOM 665 CG2 THR A 41 12.403 4.559 7.587 1.00 0.00 C ATOM 0 H THR A 41 9.640 4.032 4.775 1.00 0.00 H new ATOM 0 HA THR A 41 11.031 2.369 6.631 1.00 0.00 H new ATOM 0 HB THR A 41 10.783 5.363 6.464 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.764 5.169 5.182 1.00 0.00 H new ATOM 0 HG21 THR A 41 13.055 5.421 7.442 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.862 4.667 8.527 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.004 3.650 7.616 1.00 0.00 H new ATOM 673 N ARG A 42 8.458 4.082 7.688 1.00 0.00 N ATOM 674 CA ARG A 42 7.556 4.283 8.817 1.00 0.00 C ATOM 675 C ARG A 42 6.658 3.065 9.036 1.00 0.00 C ATOM 676 O ARG A 42 5.973 2.967 10.054 1.00 0.00 O ATOM 677 CB ARG A 42 6.698 5.531 8.594 1.00 0.00 C ATOM 678 CG ARG A 42 7.256 6.779 9.257 1.00 0.00 C ATOM 679 CD ARG A 42 8.550 7.229 8.598 1.00 0.00 C ATOM 680 NE ARG A 42 9.041 8.487 9.155 1.00 0.00 N ATOM 681 CZ ARG A 42 8.542 9.680 8.842 1.00 0.00 C ATOM 682 NH1 ARG A 42 7.540 9.783 7.978 1.00 0.00 N ATOM 683 NH2 ARG A 42 9.046 10.775 9.395 1.00 0.00 N ATOM 0 H ARG A 42 8.128 4.480 6.809 1.00 0.00 H new ATOM 0 HA ARG A 42 8.165 4.420 9.710 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.603 5.710 7.523 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.694 5.345 8.976 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.520 7.581 9.202 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.434 6.582 10.314 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.309 6.456 8.724 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.389 7.346 7.526 1.00 0.00 H new ATOM 0 HE ARG A 42 9.811 8.449 9.823 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.148 8.945 7.550 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.162 10.701 7.742 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.816 10.702 10.060 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.664 11.690 9.155 1.00 0.00 H new ATOM 697 N ALA A 43 6.663 2.139 8.079 1.00 0.00 N ATOM 698 CA ALA A 43 5.847 0.934 8.177 1.00 0.00 C ATOM 699 C ALA A 43 6.152 0.166 9.459 1.00 0.00 C ATOM 700 O ALA A 43 7.031 -0.696 9.484 1.00 0.00 O ATOM 701 CB ALA A 43 6.071 0.046 6.963 1.00 0.00 C ATOM 0 H ALA A 43 7.223 2.201 7.229 1.00 0.00 H new ATOM 0 HA ALA A 43 4.800 1.236 8.206 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.456 -0.850 7.049 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.796 0.589 6.059 1.00 0.00 H new ATOM 0 HB3 ALA A 43 7.122 -0.239 6.910 1.00 0.00 H new ATOM 707 N THR A 44 5.420 0.484 10.522 1.00 0.00 N ATOM 708 CA THR A 44 5.613 -0.175 11.808 1.00 0.00 C ATOM 709 C THR A 44 4.397 -1.021 12.176 1.00 0.00 C ATOM 710 O THR A 44 4.526 -2.065 12.814 1.00 0.00 O ATOM 711 CB THR A 44 5.876 0.862 12.901 1.00 0.00 C ATOM 712 OG1 THR A 44 4.838 1.824 12.940 1.00 0.00 O ATOM 713 CG2 THR A 44 7.183 1.604 12.720 1.00 0.00 C ATOM 0 H THR A 44 4.688 1.194 10.518 1.00 0.00 H new ATOM 0 HA THR A 44 6.478 -0.833 11.724 1.00 0.00 H new ATOM 0 HB THR A 44 5.924 0.295 13.831 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.024 2.477 13.646 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.308 2.324 13.529 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.010 0.894 12.736 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.174 2.129 11.765 1.00 0.00 H new ATOM 721 N THR A 45 3.218 -0.562 11.770 1.00 0.00 N ATOM 722 CA THR A 45 1.979 -1.276 12.059 1.00 0.00 C ATOM 723 C THR A 45 1.076 -1.317 10.830 1.00 0.00 C ATOM 724 O THR A 45 1.337 -0.644 9.833 1.00 0.00 O ATOM 725 CB THR A 45 1.242 -0.614 13.225 1.00 0.00 C ATOM 726 OG1 THR A 45 0.571 0.556 12.795 1.00 0.00 O ATOM 727 CG2 THR A 45 2.155 -0.226 14.369 1.00 0.00 C ATOM 0 H THR A 45 3.094 0.301 11.240 1.00 0.00 H new ATOM 0 HA THR A 45 2.235 -2.299 12.335 1.00 0.00 H new ATOM 0 HB THR A 45 0.537 -1.364 13.583 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.105 0.963 13.555 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.568 0.238 15.162 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.650 -1.116 14.757 1.00 0.00 H new ATOM 0 HG23 THR A 45 2.905 0.480 14.013 1.00 0.00 H new ATOM 735 N LEU A 46 0.012 -2.111 10.910 1.00 0.00 N ATOM 736 CA LEU A 46 -0.931 -2.241 9.804 1.00 0.00 C ATOM 737 C LEU A 46 -1.521 -0.886 9.427 1.00 0.00 C ATOM 738 O LEU A 46 -1.466 -0.475 8.268 1.00 0.00 O ATOM 739 CB LEU A 46 -2.055 -3.210 10.176 1.00 0.00 C ATOM 740 CG LEU A 46 -1.592 -4.587 10.653 1.00 0.00 C ATOM 741 CD1 LEU A 46 -2.772 -5.394 11.174 1.00 0.00 C ATOM 742 CD2 LEU A 46 -0.890 -5.332 9.526 1.00 0.00 C ATOM 0 H LEU A 46 -0.219 -2.674 11.729 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.389 -2.634 8.944 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.661 -2.756 10.960 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.702 -3.342 9.309 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.882 -4.450 11.469 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.425 -6.371 11.509 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.233 -4.867 12.009 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.505 -5.523 10.377 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.567 -6.310 9.882 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.578 -5.459 8.690 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.022 -4.761 9.197 1.00 0.00 H new ATOM 754 N GLN A 47 -2.085 -0.196 10.414 1.00 0.00 N ATOM 755 CA GLN A 47 -2.687 1.113 10.186 1.00 0.00 C ATOM 756 C GLN A 47 -1.676 2.079 9.575 1.00 0.00 C ATOM 757 O GLN A 47 -1.999 2.829 8.654 1.00 0.00 O ATOM 758 CB GLN A 47 -3.228 1.684 11.499 1.00 0.00 C ATOM 759 CG GLN A 47 -4.447 2.574 11.318 1.00 0.00 C ATOM 760 CD GLN A 47 -4.078 4.007 10.988 1.00 0.00 C ATOM 761 OE1 GLN A 47 -4.197 4.442 9.843 1.00 0.00 O ATOM 762 NE2 GLN A 47 -3.627 4.748 11.993 1.00 0.00 N ATOM 0 H GLN A 47 -2.138 -0.522 11.379 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.512 0.989 9.485 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.485 0.861 12.165 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.440 2.256 11.989 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.072 2.171 10.521 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -5.044 2.557 12.230 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.545 4.345 12.927 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.363 5.720 11.832 1.00 0.00 H new ATOM 771 N ALA A 48 -0.452 2.051 10.090 1.00 0.00 N ATOM 772 CA ALA A 48 0.605 2.922 9.591 1.00 0.00 C ATOM 773 C ALA A 48 0.918 2.615 8.131 1.00 0.00 C ATOM 774 O ALA A 48 1.253 3.510 7.355 1.00 0.00 O ATOM 775 CB ALA A 48 1.856 2.777 10.444 1.00 0.00 C ATOM 0 H ALA A 48 -0.168 1.435 10.852 1.00 0.00 H new ATOM 0 HA ALA A 48 0.256 3.953 9.654 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.637 3.433 10.059 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.628 3.050 11.474 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.202 1.744 10.410 1.00 0.00 H new ATOM 781 N CYS A 49 0.803 1.342 7.763 1.00 0.00 N ATOM 782 CA CYS A 49 1.071 0.914 6.395 1.00 0.00 C ATOM 783 C CYS A 49 0.017 1.465 5.440 1.00 0.00 C ATOM 784 O CYS A 49 0.339 1.948 4.355 1.00 0.00 O ATOM 785 CB CYS A 49 1.105 -0.614 6.315 1.00 0.00 C ATOM 786 SG CYS A 49 2.770 -1.310 6.214 1.00 0.00 S ATOM 0 H CYS A 49 0.526 0.590 8.394 1.00 0.00 H new ATOM 0 HA CYS A 49 2.044 1.306 6.099 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.604 -1.024 7.192 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.535 -0.934 5.443 1.00 0.00 H new ATOM 0 HG CYS A 49 3.128 -1.400 4.967 1.00 0.00 H new ATOM 792 N LEU A 50 -1.245 1.390 5.853 1.00 0.00 N ATOM 793 CA LEU A 50 -2.347 1.883 5.036 1.00 0.00 C ATOM 794 C LEU A 50 -2.189 3.374 4.756 1.00 0.00 C ATOM 795 O LEU A 50 -2.313 3.818 3.614 1.00 0.00 O ATOM 796 CB LEU A 50 -3.683 1.620 5.733 1.00 0.00 C ATOM 797 CG LEU A 50 -4.092 0.148 5.815 1.00 0.00 C ATOM 798 CD1 LEU A 50 -5.173 -0.048 6.866 1.00 0.00 C ATOM 799 CD2 LEU A 50 -4.569 -0.349 4.458 1.00 0.00 C ATOM 0 H LEU A 50 -1.529 0.993 6.748 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.331 1.349 4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.634 2.024 6.744 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.464 2.170 5.207 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.219 -0.436 6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.451 -1.101 6.910 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.797 0.269 7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.047 0.548 6.604 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.856 -1.398 4.535 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.428 0.240 4.136 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.765 -0.245 3.729 1.00 0.00 H new ATOM 811 N ASP A 51 -1.912 4.141 5.805 1.00 0.00 N ATOM 812 CA ASP A 51 -1.734 5.582 5.671 1.00 0.00 C ATOM 813 C ASP A 51 -0.565 5.897 4.744 1.00 0.00 C ATOM 814 O ASP A 51 -0.617 6.845 3.961 1.00 0.00 O ATOM 815 CB ASP A 51 -1.499 6.218 7.043 1.00 0.00 C ATOM 816 CG ASP A 51 -2.795 6.555 7.753 1.00 0.00 C ATOM 817 OD1 ASP A 51 -3.790 5.827 7.550 1.00 0.00 O ATOM 818 OD2 ASP A 51 -2.816 7.546 8.513 1.00 0.00 O ATOM 0 H ASP A 51 -1.806 3.789 6.757 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.643 5.999 5.238 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.916 5.536 7.662 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.907 7.125 6.923 1.00 0.00 H new ATOM 823 N GLU A 52 0.488 5.091 4.837 1.00 0.00 N ATOM 824 CA GLU A 52 1.670 5.279 4.006 1.00 0.00 C ATOM 825 C GLU A 52 1.345 5.019 2.539 1.00 0.00 C ATOM 826 O GLU A 52 1.780 5.758 1.655 1.00 0.00 O ATOM 827 CB GLU A 52 2.796 4.350 4.464 1.00 0.00 C ATOM 828 CG GLU A 52 3.631 4.920 5.599 1.00 0.00 C ATOM 829 CD GLU A 52 4.335 3.844 6.402 1.00 0.00 C ATOM 830 OE1 GLU A 52 3.662 2.877 6.816 1.00 0.00 O ATOM 831 OE2 GLU A 52 5.559 3.968 6.616 1.00 0.00 O ATOM 0 H GLU A 52 0.546 4.301 5.480 1.00 0.00 H new ATOM 0 HA GLU A 52 1.999 6.313 4.111 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.366 3.400 4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.447 4.137 3.616 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.372 5.607 5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.989 5.501 6.261 1.00 0.00 H new ATOM 838 N ALA A 53 0.574 3.966 2.287 1.00 0.00 N ATOM 839 CA ALA A 53 0.187 3.610 0.928 1.00 0.00 C ATOM 840 C ALA A 53 -0.591 4.744 0.270 1.00 0.00 C ATOM 841 O ALA A 53 -0.346 5.090 -0.886 1.00 0.00 O ATOM 842 CB ALA A 53 -0.640 2.333 0.931 1.00 0.00 C ATOM 0 H ALA A 53 0.205 3.345 3.007 1.00 0.00 H new ATOM 0 HA ALA A 53 1.094 3.439 0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.922 2.080 -0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.052 1.520 1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.539 2.483 1.529 1.00 0.00 H new ATOM 848 N GLY A 54 -1.526 5.323 1.017 1.00 0.00 N ATOM 849 CA GLY A 54 -2.322 6.416 0.491 1.00 0.00 C ATOM 850 C GLY A 54 -1.476 7.620 0.128 1.00 0.00 C ATOM 851 O GLY A 54 -1.639 8.201 -0.945 1.00 0.00 O ATOM 0 H GLY A 54 -1.746 5.055 1.976 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.864 6.076 -0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.068 6.708 1.230 1.00 0.00 H new ATOM 855 N ASP A 55 -0.566 7.991 1.023 1.00 0.00 N ATOM 856 CA ASP A 55 0.313 9.130 0.790 1.00 0.00 C ATOM 857 C ASP A 55 1.176 8.898 -0.445 1.00 0.00 C ATOM 858 O ASP A 55 1.438 9.822 -1.215 1.00 0.00 O ATOM 859 CB ASP A 55 1.201 9.375 2.011 1.00 0.00 C ATOM 860 CG ASP A 55 1.516 10.845 2.212 1.00 0.00 C ATOM 861 OD1 ASP A 55 1.888 11.512 1.224 1.00 0.00 O ATOM 862 OD2 ASP A 55 1.389 11.327 3.357 1.00 0.00 O ATOM 0 H ASP A 55 -0.419 7.520 1.915 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.306 10.011 0.621 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.705 8.988 2.901 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.132 8.819 1.897 1.00 0.00 H new ATOM 867 N ASN A 56 1.612 7.656 -0.629 1.00 0.00 N ATOM 868 CA ASN A 56 2.442 7.299 -1.772 1.00 0.00 C ATOM 869 C ASN A 56 1.663 7.453 -3.074 1.00 0.00 C ATOM 870 O ASN A 56 2.208 7.888 -4.088 1.00 0.00 O ATOM 871 CB ASN A 56 2.947 5.861 -1.633 1.00 0.00 C ATOM 872 CG ASN A 56 4.119 5.749 -0.677 1.00 0.00 C ATOM 873 OD1 ASN A 56 5.075 6.520 -0.756 1.00 0.00 O ATOM 874 ND2 ASN A 56 4.049 4.786 0.235 1.00 0.00 N ATOM 0 H ASN A 56 1.404 6.880 -0.000 1.00 0.00 H new ATOM 0 HA ASN A 56 3.297 7.975 -1.797 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.134 5.226 -1.282 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.244 5.487 -2.613 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.807 4.663 0.906 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.237 4.169 0.264 1.00 0.00 H new ATOM 881 N LEU A 57 0.383 7.097 -3.035 1.00 0.00 N ATOM 882 CA LEU A 57 -0.474 7.199 -4.210 1.00 0.00 C ATOM 883 C LEU A 57 -0.605 8.651 -4.658 1.00 0.00 C ATOM 884 O LEU A 57 -0.463 8.962 -5.840 1.00 0.00 O ATOM 885 CB LEU A 57 -1.858 6.617 -3.912 1.00 0.00 C ATOM 886 CG LEU A 57 -2.012 5.126 -4.219 1.00 0.00 C ATOM 887 CD1 LEU A 57 -3.127 4.521 -3.380 1.00 0.00 C ATOM 888 CD2 LEU A 57 -2.283 4.915 -5.701 1.00 0.00 C ATOM 0 H LEU A 57 -0.083 6.736 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.015 6.627 -5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.086 6.781 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.600 7.170 -4.488 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.080 4.622 -3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.222 3.460 -3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.893 4.642 -2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.066 5.027 -3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.390 3.849 -5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.201 5.431 -5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.452 5.313 -6.283 1.00 0.00 H new ATOM 900 N ALA A 58 -0.873 9.537 -3.703 1.00 0.00 N ATOM 901 CA ALA A 58 -1.019 10.956 -3.998 1.00 0.00 C ATOM 902 C ALA A 58 0.281 11.535 -4.547 1.00 0.00 C ATOM 903 O ALA A 58 0.266 12.408 -5.415 1.00 0.00 O ATOM 904 CB ALA A 58 -1.451 11.713 -2.751 1.00 0.00 C ATOM 0 H ALA A 58 -0.993 9.296 -2.719 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.789 11.068 -4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.556 12.772 -2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.407 11.322 -2.401 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.700 11.588 -1.971 1.00 0.00 H new ATOM 910 N ALA A 59 1.404 11.039 -4.037 1.00 0.00 N ATOM 911 CA ALA A 59 2.713 11.504 -4.478 1.00 0.00 C ATOM 912 C ALA A 59 2.992 11.067 -5.911 1.00 0.00 C ATOM 913 O ALA A 59 3.578 11.812 -6.696 1.00 0.00 O ATOM 914 CB ALA A 59 3.798 10.987 -3.545 1.00 0.00 C ATOM 0 H ALA A 59 1.433 10.316 -3.318 1.00 0.00 H new ATOM 0 HA ALA A 59 2.715 12.594 -4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.771 11.342 -3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.613 11.351 -2.534 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.789 9.897 -3.545 1.00 0.00 H new ATOM 920 N LEU A 60 2.565 9.854 -6.246 1.00 0.00 N ATOM 921 CA LEU A 60 2.765 9.316 -7.586 1.00 0.00 C ATOM 922 C LEU A 60 1.917 10.072 -8.603 1.00 0.00 C ATOM 923 O LEU A 60 2.406 10.475 -9.658 1.00 0.00 O ATOM 924 CB LEU A 60 2.416 7.827 -7.619 1.00 0.00 C ATOM 925 CG LEU A 60 2.521 7.166 -8.994 1.00 0.00 C ATOM 926 CD1 LEU A 60 3.969 6.834 -9.317 1.00 0.00 C ATOM 927 CD2 LEU A 60 1.660 5.913 -9.048 1.00 0.00 C ATOM 0 H LEU A 60 2.078 9.225 -5.608 1.00 0.00 H new ATOM 0 HA LEU A 60 3.816 9.440 -7.849 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.075 7.300 -6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.399 7.700 -7.249 1.00 0.00 H new ATOM 0 HG LEU A 60 2.155 7.868 -9.743 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.024 6.364 -10.299 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.561 7.750 -9.319 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.362 6.150 -8.565 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.746 5.455 -10.033 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.997 5.207 -8.289 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.619 6.178 -8.861 1.00 0.00 H new ATOM 939 N ARG A 61 0.643 10.262 -8.276 1.00 0.00 N ATOM 940 CA ARG A 61 -0.275 10.972 -9.158 1.00 0.00 C ATOM 941 C ARG A 61 0.198 12.402 -9.393 1.00 0.00 C ATOM 942 O ARG A 61 0.151 12.906 -10.515 1.00 0.00 O ATOM 943 CB ARG A 61 -1.684 10.980 -8.561 1.00 0.00 C ATOM 944 CG ARG A 61 -2.784 10.803 -9.595 1.00 0.00 C ATOM 945 CD ARG A 61 -4.161 11.033 -8.991 1.00 0.00 C ATOM 946 NE ARG A 61 -5.109 9.990 -9.376 1.00 0.00 N ATOM 947 CZ ARG A 61 -5.730 9.950 -10.553 1.00 0.00 C ATOM 948 NH1 ARG A 61 -5.505 10.891 -11.462 1.00 0.00 N ATOM 949 NH2 ARG A 61 -6.578 8.967 -10.821 1.00 0.00 N ATOM 0 H ARG A 61 0.223 9.934 -7.406 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.297 10.452 -10.116 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.761 10.183 -7.821 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.841 11.921 -8.033 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.626 11.500 -10.418 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.733 9.798 -10.014 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.079 11.066 -7.905 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.540 12.003 -9.311 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.307 9.249 -8.704 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.854 11.650 -11.260 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.983 10.855 -12.362 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.754 8.242 -10.126 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.054 8.936 -11.723 1.00 0.00 H new ATOM 963 N HIS A 62 0.656 13.051 -8.327 1.00 0.00 N ATOM 964 CA HIS A 62 1.140 14.423 -8.416 1.00 0.00 C ATOM 965 C HIS A 62 2.537 14.472 -9.029 1.00 0.00 C ATOM 966 O HIS A 62 2.925 15.473 -9.632 1.00 0.00 O ATOM 967 CB HIS A 62 1.158 15.069 -7.029 1.00 0.00 C ATOM 968 CG HIS A 62 1.476 16.531 -7.054 1.00 0.00 C ATOM 969 ND1 HIS A 62 0.556 17.508 -6.737 1.00 0.00 N ATOM 970 CD2 HIS A 62 2.624 17.183 -7.360 1.00 0.00 C ATOM 971 CE1 HIS A 62 1.122 18.697 -6.848 1.00 0.00 C ATOM 972 NE2 HIS A 62 2.376 18.527 -7.224 1.00 0.00 N ATOM 0 H HIS A 62 0.702 12.648 -7.391 1.00 0.00 H new ATOM 0 HA HIS A 62 0.461 14.979 -9.062 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.186 14.925 -6.558 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.893 14.556 -6.408 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.559 16.730 -7.656 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.641 19.646 -6.663 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.052 19.273 -7.387 1.00 0.00 H new ATOM 981 N ALA A 63 3.289 13.386 -8.870 1.00 0.00 N ATOM 982 CA ALA A 63 4.644 13.305 -9.406 1.00 0.00 C ATOM 983 C ALA A 63 4.671 13.619 -10.900 1.00 0.00 C ATOM 984 O ALA A 63 5.673 14.109 -11.421 1.00 0.00 O ATOM 985 CB ALA A 63 5.231 11.926 -9.142 1.00 0.00 C ATOM 0 H ALA A 63 2.982 12.549 -8.374 1.00 0.00 H new ATOM 0 HA ALA A 63 5.253 14.053 -8.898 1.00 0.00 H new ATOM 0 HB1 ALA A 63 6.242 11.877 -9.546 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.261 11.743 -8.068 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.611 11.169 -9.622 1.00 0.00 H new ATOM 991 N VAL A 64 3.566 13.335 -11.583 1.00 0.00 N ATOM 992 CA VAL A 64 3.468 13.589 -13.016 1.00 0.00 C ATOM 993 C VAL A 64 3.727 15.058 -13.334 1.00 0.00 C ATOM 994 O VAL A 64 4.220 15.393 -14.412 1.00 0.00 O ATOM 995 CB VAL A 64 2.084 13.193 -13.565 1.00 0.00 C ATOM 996 CG1 VAL A 64 1.850 11.699 -13.398 1.00 0.00 C ATOM 997 CG2 VAL A 64 0.986 13.992 -12.878 1.00 0.00 C ATOM 0 H VAL A 64 2.727 12.929 -11.168 1.00 0.00 H new ATOM 0 HA VAL A 64 4.230 12.976 -13.497 1.00 0.00 H new ATOM 0 HB VAL A 64 2.057 13.425 -14.630 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.867 11.438 -13.791 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.617 11.148 -13.942 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.898 11.439 -12.341 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.016 13.698 -13.280 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.010 13.796 -11.806 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.145 15.056 -13.056 1.00 0.00 H new ATOM 1007 N GLU A 65 3.391 15.931 -12.390 1.00 0.00 N ATOM 1008 CA GLU A 65 3.587 17.365 -12.570 1.00 0.00 C ATOM 1009 C GLU A 65 5.071 17.718 -12.565 1.00 0.00 C ATOM 1010 O GLU A 65 5.494 18.672 -13.218 1.00 0.00 O ATOM 1011 CB GLU A 65 2.863 18.141 -11.468 1.00 0.00 C ATOM 1012 CG GLU A 65 2.564 19.585 -11.836 1.00 0.00 C ATOM 1013 CD GLU A 65 1.375 19.715 -12.768 1.00 0.00 C ATOM 1014 OE1 GLU A 65 1.274 18.910 -13.717 1.00 0.00 O ATOM 1015 OE2 GLU A 65 0.544 20.621 -12.547 1.00 0.00 O ATOM 0 H GLU A 65 2.982 15.671 -11.493 1.00 0.00 H new ATOM 0 HA GLU A 65 3.170 17.644 -13.537 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.927 17.634 -11.233 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.471 18.124 -10.564 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.373 20.156 -10.927 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.442 20.025 -12.309 1.00 0.00 H new ATOM 1022 N GLN A 66 5.857 16.944 -11.823 1.00 0.00 N ATOM 1023 CA GLN A 66 7.294 17.178 -11.734 1.00 0.00 C ATOM 1024 C GLN A 66 8.061 16.280 -12.703 1.00 0.00 C ATOM 1025 O GLN A 66 9.255 16.040 -12.526 1.00 0.00 O ATOM 1026 CB GLN A 66 7.781 16.938 -10.303 1.00 0.00 C ATOM 1027 CG GLN A 66 8.024 18.219 -9.521 1.00 0.00 C ATOM 1028 CD GLN A 66 9.373 18.840 -9.826 1.00 0.00 C ATOM 1029 OE1 GLN A 66 9.459 20.001 -10.226 1.00 0.00 O ATOM 1030 NE2 GLN A 66 10.437 18.067 -9.639 1.00 0.00 N ATOM 0 H GLN A 66 5.524 16.151 -11.276 1.00 0.00 H new ATOM 0 HA GLN A 66 7.483 18.216 -12.009 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.045 16.333 -9.774 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.705 16.360 -10.334 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.237 18.937 -9.752 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.958 18.007 -8.454 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.320 17.110 -9.306 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.371 18.430 -9.828 1.00 0.00 H new ATOM 1039 N GLN A 67 7.371 15.788 -13.729 1.00 0.00 N ATOM 1040 CA GLN A 67 7.993 14.919 -14.723 1.00 0.00 C ATOM 1041 C GLN A 67 8.663 13.719 -14.059 1.00 0.00 C ATOM 1042 O GLN A 67 9.798 13.369 -14.383 1.00 0.00 O ATOM 1043 CB GLN A 67 9.020 15.705 -15.542 1.00 0.00 C ATOM 1044 CG GLN A 67 8.398 16.603 -16.598 1.00 0.00 C ATOM 1045 CD GLN A 67 7.709 15.819 -17.698 1.00 0.00 C ATOM 1046 OE1 GLN A 67 8.309 15.517 -18.730 1.00 0.00 O ATOM 1047 NE2 GLN A 67 6.442 15.486 -17.483 1.00 0.00 N ATOM 0 H GLN A 67 6.382 15.976 -13.893 1.00 0.00 H new ATOM 0 HA GLN A 67 7.211 14.550 -15.387 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.621 16.314 -14.867 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.699 15.004 -16.027 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.676 17.268 -16.124 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.172 17.233 -17.036 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.984 15.757 -16.613 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.927 14.959 -18.188 1.00 0.00 H new ATOM 1056 N GLN A 68 7.952 13.092 -13.128 1.00 0.00 N ATOM 1057 CA GLN A 68 8.477 11.932 -12.417 1.00 0.00 C ATOM 1058 C GLN A 68 7.977 10.635 -13.045 1.00 0.00 C ATOM 1059 O GLN A 68 7.691 9.664 -12.344 1.00 0.00 O ATOM 1060 CB GLN A 68 8.073 11.987 -10.942 1.00 0.00 C ATOM 1061 CG GLN A 68 9.048 12.765 -10.073 1.00 0.00 C ATOM 1062 CD GLN A 68 8.462 13.130 -8.723 1.00 0.00 C ATOM 1063 OE1 GLN A 68 7.895 14.209 -8.552 1.00 0.00 O ATOM 1064 NE2 GLN A 68 8.597 12.231 -7.756 1.00 0.00 N ATOM 0 H GLN A 68 7.011 13.368 -12.848 1.00 0.00 H new ATOM 0 HA GLN A 68 9.564 11.954 -12.491 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.085 12.441 -10.861 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.989 10.970 -10.559 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.950 12.172 -9.925 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.347 13.675 -10.593 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.075 11.349 -7.942 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.223 12.422 -6.826 1.00 0.00 H new ATOM 1073 N LEU A 69 7.875 10.624 -14.370 1.00 0.00 N ATOM 1074 CA LEU A 69 7.409 9.446 -15.091 1.00 0.00 C ATOM 1075 C LEU A 69 8.299 8.234 -14.804 1.00 0.00 C ATOM 1076 O LEU A 69 7.799 7.150 -14.503 1.00 0.00 O ATOM 1077 CB LEU A 69 7.365 9.725 -16.595 1.00 0.00 C ATOM 1078 CG LEU A 69 6.055 10.331 -17.101 1.00 0.00 C ATOM 1079 CD1 LEU A 69 4.877 9.446 -16.726 1.00 0.00 C ATOM 1080 CD2 LEU A 69 5.868 11.734 -16.543 1.00 0.00 C ATOM 0 H LEU A 69 8.109 11.418 -14.966 1.00 0.00 H new ATOM 0 HA LEU A 69 6.402 9.216 -14.744 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.182 10.400 -16.848 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.546 8.792 -17.128 1.00 0.00 H new ATOM 0 HG LEU A 69 6.102 10.396 -18.188 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.954 9.894 -17.094 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.006 8.460 -17.173 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.826 9.349 -15.642 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.931 12.151 -16.913 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.842 11.692 -15.454 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.697 12.366 -16.862 1.00 0.00 H new ATOM 1092 N PRO A 70 9.633 8.397 -14.892 1.00 0.00 N ATOM 1093 CA PRO A 70 10.577 7.302 -14.636 1.00 0.00 C ATOM 1094 C PRO A 70 10.476 6.777 -13.208 1.00 0.00 C ATOM 1095 O PRO A 70 10.695 5.592 -12.954 1.00 0.00 O ATOM 1096 CB PRO A 70 11.953 7.938 -14.872 1.00 0.00 C ATOM 1097 CG PRO A 70 11.684 9.168 -15.669 1.00 0.00 C ATOM 1098 CD PRO A 70 10.327 9.646 -15.243 1.00 0.00 C ATOM 0 HA PRO A 70 10.379 6.443 -15.277 1.00 0.00 H new ATOM 0 HB2 PRO A 70 12.442 8.180 -13.928 1.00 0.00 H new ATOM 0 HB3 PRO A 70 12.614 7.258 -15.409 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.442 9.928 -15.482 1.00 0.00 H new ATOM 0 HG3 PRO A 70 11.705 8.953 -16.737 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.387 10.327 -14.394 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.817 10.180 -16.045 1.00 0.00 H new ATOM 1106 N GLN A 71 10.143 7.667 -12.279 1.00 0.00 N ATOM 1107 CA GLN A 71 10.012 7.296 -10.874 1.00 0.00 C ATOM 1108 C GLN A 71 8.777 6.428 -10.649 1.00 0.00 C ATOM 1109 O GLN A 71 8.726 5.639 -9.705 1.00 0.00 O ATOM 1110 CB GLN A 71 9.936 8.549 -10.000 1.00 0.00 C ATOM 1111 CG GLN A 71 11.288 9.014 -9.484 1.00 0.00 C ATOM 1112 CD GLN A 71 11.812 10.225 -10.230 1.00 0.00 C ATOM 1113 OE1 GLN A 71 11.985 11.298 -9.651 1.00 0.00 O ATOM 1114 NE2 GLN A 71 12.067 10.059 -11.523 1.00 0.00 N ATOM 0 H GLN A 71 9.959 8.651 -12.474 1.00 0.00 H new ATOM 0 HA GLN A 71 10.893 6.718 -10.594 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.479 9.355 -10.574 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.281 8.351 -9.151 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.205 9.253 -8.424 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.006 8.199 -9.572 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.909 9.152 -11.962 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.421 10.839 -12.077 1.00 0.00 H new ATOM 1123 N VAL A 72 7.783 6.579 -11.519 1.00 0.00 N ATOM 1124 CA VAL A 72 6.548 5.809 -11.412 1.00 0.00 C ATOM 1125 C VAL A 72 6.835 4.312 -11.335 1.00 0.00 C ATOM 1126 O VAL A 72 6.064 3.552 -10.749 1.00 0.00 O ATOM 1127 CB VAL A 72 5.610 6.082 -12.604 1.00 0.00 C ATOM 1128 CG1 VAL A 72 4.287 5.352 -12.425 1.00 0.00 C ATOM 1129 CG2 VAL A 72 5.382 7.577 -12.772 1.00 0.00 C ATOM 0 H VAL A 72 7.808 7.227 -12.306 1.00 0.00 H new ATOM 0 HA VAL A 72 6.057 6.128 -10.493 1.00 0.00 H new ATOM 0 HB VAL A 72 6.086 5.705 -13.509 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.639 5.558 -13.277 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.469 4.279 -12.359 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.803 5.695 -11.510 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.717 7.751 -13.618 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.929 7.980 -11.866 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.336 8.073 -12.952 1.00 0.00 H new ATOM 1139 N ALA A 73 7.949 3.895 -11.928 1.00 0.00 N ATOM 1140 CA ALA A 73 8.336 2.490 -11.923 1.00 0.00 C ATOM 1141 C ALA A 73 8.613 2.004 -10.505 1.00 0.00 C ATOM 1142 O ALA A 73 8.158 0.933 -10.104 1.00 0.00 O ATOM 1143 CB ALA A 73 9.557 2.276 -12.805 1.00 0.00 C ATOM 0 H ALA A 73 8.599 4.510 -12.418 1.00 0.00 H new ATOM 0 HA ALA A 73 7.506 1.908 -12.324 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.835 1.222 -12.792 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.325 2.578 -13.827 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.387 2.875 -12.429 1.00 0.00 H new ATOM 1149 N TRP A 74 9.362 2.801 -9.749 1.00 0.00 N ATOM 1150 CA TRP A 74 9.699 2.454 -8.373 1.00 0.00 C ATOM 1151 C TRP A 74 8.477 2.574 -7.468 1.00 0.00 C ATOM 1152 O TRP A 74 8.228 1.711 -6.627 1.00 0.00 O ATOM 1153 CB TRP A 74 10.823 3.357 -7.860 1.00 0.00 C ATOM 1154 CG TRP A 74 11.944 2.602 -7.213 1.00 0.00 C ATOM 1155 CD1 TRP A 74 12.596 1.513 -7.716 1.00 0.00 C ATOM 1156 CD2 TRP A 74 12.545 2.879 -5.943 1.00 0.00 C ATOM 1157 NE1 TRP A 74 13.565 1.096 -6.836 1.00 0.00 N ATOM 1158 CE2 TRP A 74 13.554 1.918 -5.740 1.00 0.00 C ATOM 1159 CE3 TRP A 74 12.329 3.847 -4.958 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 14.344 1.898 -4.593 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 13.113 3.825 -3.820 1.00 0.00 C ATOM 1162 CH2 TRP A 74 14.110 2.857 -3.646 1.00 0.00 C ATOM 0 H TRP A 74 9.747 3.691 -10.066 1.00 0.00 H new ATOM 0 HA TRP A 74 10.039 1.419 -8.356 1.00 0.00 H new ATOM 0 HB2 TRP A 74 11.219 3.939 -8.692 1.00 0.00 H new ATOM 0 HB3 TRP A 74 10.410 4.066 -7.142 1.00 0.00 H new ATOM 0 HD1 TRP A 74 12.381 1.048 -8.667 1.00 0.00 H new ATOM 0 HE1 TRP A 74 14.191 0.303 -6.976 1.00 0.00 H new ATOM 0 HE3 TRP A 74 11.563 4.598 -5.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 15.113 1.152 -4.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 12.954 4.567 -3.052 1.00 0.00 H new ATOM 0 HH2 TRP A 74 14.706 2.868 -2.746 1.00 0.00 H new ATOM 1173 N LEU A 75 7.718 3.650 -7.648 1.00 0.00 N ATOM 1174 CA LEU A 75 6.521 3.884 -6.848 1.00 0.00 C ATOM 1175 C LEU A 75 5.454 2.838 -7.150 1.00 0.00 C ATOM 1176 O LEU A 75 4.690 2.443 -6.269 1.00 0.00 O ATOM 1177 CB LEU A 75 5.969 5.285 -7.117 1.00 0.00 C ATOM 1178 CG LEU A 75 6.798 6.431 -6.532 1.00 0.00 C ATOM 1179 CD1 LEU A 75 6.856 7.601 -7.502 1.00 0.00 C ATOM 1180 CD2 LEU A 75 6.223 6.875 -5.194 1.00 0.00 C ATOM 0 H LEU A 75 7.910 4.374 -8.341 1.00 0.00 H new ATOM 0 HA LEU A 75 6.795 3.805 -5.796 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.890 5.427 -8.195 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.958 5.345 -6.713 1.00 0.00 H new ATOM 0 HG LEU A 75 7.814 6.071 -6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.450 8.405 -7.067 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.314 7.276 -8.437 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.846 7.961 -7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.824 7.690 -4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.197 7.216 -5.334 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.235 6.037 -4.497 1.00 0.00 H new ATOM 1192 N ALA A 76 5.406 2.394 -8.402 1.00 0.00 N ATOM 1193 CA ALA A 76 4.433 1.393 -8.822 1.00 0.00 C ATOM 1194 C ALA A 76 4.706 0.049 -8.157 1.00 0.00 C ATOM 1195 O ALA A 76 3.824 -0.532 -7.522 1.00 0.00 O ATOM 1196 CB ALA A 76 4.446 1.248 -10.336 1.00 0.00 C ATOM 0 H ALA A 76 6.030 2.712 -9.143 1.00 0.00 H new ATOM 0 HA ALA A 76 3.444 1.729 -8.509 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.715 0.497 -10.636 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.194 2.204 -10.795 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.439 0.939 -10.663 1.00 0.00 H new ATOM 1202 N GLU A 77 5.932 -0.441 -8.306 1.00 0.00 N ATOM 1203 CA GLU A 77 6.321 -1.718 -7.719 1.00 0.00 C ATOM 1204 C GLU A 77 6.182 -1.684 -6.200 1.00 0.00 C ATOM 1205 O GLU A 77 5.835 -2.686 -5.575 1.00 0.00 O ATOM 1206 CB GLU A 77 7.761 -2.063 -8.103 1.00 0.00 C ATOM 1207 CG GLU A 77 8.782 -1.055 -7.602 1.00 0.00 C ATOM 1208 CD GLU A 77 10.189 -1.366 -8.074 1.00 0.00 C ATOM 1209 OE1 GLU A 77 10.789 -2.331 -7.557 1.00 0.00 O ATOM 1210 OE2 GLU A 77 10.690 -0.644 -8.962 1.00 0.00 O ATOM 0 H GLU A 77 6.673 0.027 -8.828 1.00 0.00 H new ATOM 0 HA GLU A 77 5.654 -2.487 -8.110 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.009 -3.047 -7.705 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.832 -2.131 -9.189 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.501 -0.059 -7.943 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.764 -1.036 -6.512 1.00 0.00 H new ATOM 1217 N HIS A 78 6.455 -0.523 -5.613 1.00 0.00 N ATOM 1218 CA HIS A 78 6.361 -0.357 -4.167 1.00 0.00 C ATOM 1219 C HIS A 78 4.904 -0.319 -3.718 1.00 0.00 C ATOM 1220 O HIS A 78 4.510 -1.033 -2.796 1.00 0.00 O ATOM 1221 CB HIS A 78 7.075 0.924 -3.733 1.00 0.00 C ATOM 1222 CG HIS A 78 7.407 0.959 -2.274 1.00 0.00 C ATOM 1223 ND1 HIS A 78 8.493 1.640 -1.765 1.00 0.00 N ATOM 1224 CD2 HIS A 78 6.789 0.393 -1.210 1.00 0.00 C ATOM 1225 CE1 HIS A 78 8.530 1.490 -0.453 1.00 0.00 C ATOM 1226 NE2 HIS A 78 7.507 0.738 -0.091 1.00 0.00 N ATOM 0 H HIS A 78 6.743 0.316 -6.116 1.00 0.00 H new ATOM 0 HA HIS A 78 6.845 -1.212 -3.695 1.00 0.00 H new ATOM 0 HB2 HIS A 78 7.994 1.031 -4.309 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.446 1.781 -3.975 1.00 0.00 H new ATOM 0 HD1 HIS A 78 9.163 2.176 -2.316 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.898 -0.216 -1.236 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.271 1.911 0.211 1.00 0.00 H new ATOM 1235 N LEU A 79 4.109 0.518 -4.375 1.00 0.00 N ATOM 1236 CA LEU A 79 2.695 0.650 -4.043 1.00 0.00 C ATOM 1237 C LEU A 79 1.972 -0.685 -4.198 1.00 0.00 C ATOM 1238 O LEU A 79 1.173 -1.072 -3.346 1.00 0.00 O ATOM 1239 CB LEU A 79 2.038 1.706 -4.935 1.00 0.00 C ATOM 1240 CG LEU A 79 2.097 3.136 -4.395 1.00 0.00 C ATOM 1241 CD1 LEU A 79 1.492 4.109 -5.396 1.00 0.00 C ATOM 1242 CD2 LEU A 79 1.380 3.230 -3.057 1.00 0.00 C ATOM 0 H LEU A 79 4.420 1.116 -5.141 1.00 0.00 H new ATOM 0 HA LEU A 79 2.619 0.964 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.518 1.683 -5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.993 1.433 -5.086 1.00 0.00 H new ATOM 0 HG LEU A 79 3.142 3.405 -4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.542 5.121 -4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.049 4.061 -6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.451 3.843 -5.579 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.432 4.254 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.336 2.942 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.857 2.561 -2.341 1.00 0.00 H new ATOM 1254 N ALA A 80 2.259 -1.384 -5.291 1.00 0.00 N ATOM 1255 CA ALA A 80 1.637 -2.675 -5.558 1.00 0.00 C ATOM 1256 C ALA A 80 1.978 -3.685 -4.467 1.00 0.00 C ATOM 1257 O ALA A 80 1.092 -4.332 -3.908 1.00 0.00 O ATOM 1258 CB ALA A 80 2.072 -3.199 -6.919 1.00 0.00 C ATOM 0 H ALA A 80 2.919 -1.078 -6.006 1.00 0.00 H new ATOM 0 HA ALA A 80 0.556 -2.535 -5.563 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.600 -4.164 -7.105 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.772 -2.493 -7.693 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.156 -3.316 -6.934 1.00 0.00 H new ATOM 1264 N ALA A 81 3.267 -3.814 -4.170 1.00 0.00 N ATOM 1265 CA ALA A 81 3.725 -4.745 -3.146 1.00 0.00 C ATOM 1266 C ALA A 81 3.113 -4.415 -1.788 1.00 0.00 C ATOM 1267 O ALA A 81 2.780 -5.310 -1.012 1.00 0.00 O ATOM 1268 CB ALA A 81 5.244 -4.727 -3.060 1.00 0.00 C ATOM 0 H ALA A 81 4.012 -3.286 -4.624 1.00 0.00 H new ATOM 0 HA ALA A 81 3.398 -5.746 -3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.573 -5.426 -2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.666 -5.019 -4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.582 -3.723 -2.805 1.00 0.00 H new ATOM 1274 N GLN A 82 2.970 -3.124 -1.509 1.00 0.00 N ATOM 1275 CA GLN A 82 2.399 -2.674 -0.244 1.00 0.00 C ATOM 1276 C GLN A 82 0.924 -3.055 -0.145 1.00 0.00 C ATOM 1277 O GLN A 82 0.464 -3.532 0.892 1.00 0.00 O ATOM 1278 CB GLN A 82 2.561 -1.158 -0.100 1.00 0.00 C ATOM 1279 CG GLN A 82 3.485 -0.751 1.037 1.00 0.00 C ATOM 1280 CD GLN A 82 2.734 -0.167 2.218 1.00 0.00 C ATOM 1281 OE1 GLN A 82 2.809 -0.683 3.333 1.00 0.00 O ATOM 1282 NE2 GLN A 82 2.004 0.917 1.978 1.00 0.00 N ATOM 0 H GLN A 82 3.241 -2.371 -2.141 1.00 0.00 H new ATOM 0 HA GLN A 82 2.936 -3.168 0.566 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.948 -0.752 -1.035 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.581 -0.710 0.061 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.054 -1.620 1.367 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.205 -0.019 0.671 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.971 1.311 1.038 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.477 1.355 2.734 1.00 0.00 H new ATOM 1291 N LEU A 83 0.189 -2.839 -1.231 1.00 0.00 N ATOM 1292 CA LEU A 83 -1.234 -3.157 -1.266 1.00 0.00 C ATOM 1293 C LEU A 83 -1.461 -4.660 -1.138 1.00 0.00 C ATOM 1294 O LEU A 83 -2.226 -5.112 -0.285 1.00 0.00 O ATOM 1295 CB LEU A 83 -1.859 -2.643 -2.564 1.00 0.00 C ATOM 1296 CG LEU A 83 -3.259 -2.044 -2.416 1.00 0.00 C ATOM 1297 CD1 LEU A 83 -3.641 -1.266 -3.665 1.00 0.00 C ATOM 1298 CD2 LEU A 83 -4.278 -3.138 -2.134 1.00 0.00 C ATOM 0 H LEU A 83 0.555 -2.445 -2.098 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.712 -2.664 -0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.200 -1.887 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.906 -3.466 -3.277 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.252 -1.354 -1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.640 -0.847 -3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.926 -0.459 -3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.631 -1.934 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.269 -2.695 -2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.283 -3.852 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.013 -3.652 -1.210 1.00 0.00 H new ATOM 1310 N GLU A 84 -0.795 -5.430 -1.992 1.00 0.00 N ATOM 1311 CA GLU A 84 -0.927 -6.882 -1.976 1.00 0.00 C ATOM 1312 C GLU A 84 -0.419 -7.464 -0.660 1.00 0.00 C ATOM 1313 O GLU A 84 -0.996 -8.410 -0.125 1.00 0.00 O ATOM 1314 CB GLU A 84 -0.163 -7.499 -3.149 1.00 0.00 C ATOM 1315 CG GLU A 84 1.266 -6.996 -3.276 1.00 0.00 C ATOM 1316 CD GLU A 84 2.293 -8.072 -2.983 1.00 0.00 C ATOM 1317 OE1 GLU A 84 2.117 -8.804 -1.986 1.00 0.00 O ATOM 1318 OE2 GLU A 84 3.272 -8.183 -3.750 1.00 0.00 O ATOM 0 H GLU A 84 -0.158 -5.072 -2.704 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.985 -7.124 -2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.149 -8.583 -3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.699 -7.284 -4.074 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.424 -6.614 -4.284 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.415 -6.161 -2.591 1.00 0.00 H new ATOM 1325 N ALA A 85 0.664 -6.892 -0.142 1.00 0.00 N ATOM 1326 CA ALA A 85 1.246 -7.356 1.112 1.00 0.00 C ATOM 1327 C ALA A 85 0.229 -7.289 2.246 1.00 0.00 C ATOM 1328 O ALA A 85 0.070 -8.243 3.008 1.00 0.00 O ATOM 1329 CB ALA A 85 2.480 -6.535 1.457 1.00 0.00 C ATOM 0 H ALA A 85 1.155 -6.108 -0.571 1.00 0.00 H new ATOM 0 HA ALA A 85 1.541 -8.398 0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.904 -6.892 2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.219 -6.638 0.662 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.202 -5.486 1.561 1.00 0.00 H new ATOM 1335 N ILE A 86 -0.459 -6.157 2.349 1.00 0.00 N ATOM 1336 CA ILE A 86 -1.463 -5.964 3.388 1.00 0.00 C ATOM 1337 C ILE A 86 -2.700 -6.816 3.124 1.00 0.00 C ATOM 1338 O ILE A 86 -3.215 -7.478 4.025 1.00 0.00 O ATOM 1339 CB ILE A 86 -1.885 -4.485 3.490 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -0.653 -3.592 3.648 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -2.845 -4.283 4.653 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -0.882 -2.164 3.204 1.00 0.00 C ATOM 0 H ILE A 86 -0.339 -5.359 1.725 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.008 -6.272 4.329 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.399 -4.206 2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.344 -3.594 4.693 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.170 -4.016 3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.132 -3.233 4.710 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.734 -4.895 4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.357 -4.576 5.583 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.033 -1.588 3.344 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.161 -2.151 2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.683 -1.723 3.797 1.00 0.00 H new ATOM 1354 N ALA A 87 -3.174 -6.792 1.883 1.00 0.00 N ATOM 1355 CA ALA A 87 -4.354 -7.558 1.498 1.00 0.00 C ATOM 1356 C ALA A 87 -4.173 -9.043 1.799 1.00 0.00 C ATOM 1357 O ALA A 87 -5.029 -9.668 2.425 1.00 0.00 O ATOM 1358 CB ALA A 87 -4.657 -7.351 0.023 1.00 0.00 C ATOM 0 H ALA A 87 -2.759 -6.250 1.126 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.197 -7.197 2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.540 -7.928 -0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.842 -6.293 -0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.807 -7.683 -0.573 1.00 0.00 H new ATOM 1364 N ARG A 88 -3.055 -9.603 1.347 1.00 0.00 N ATOM 1365 CA ARG A 88 -2.767 -11.015 1.566 1.00 0.00 C ATOM 1366 C ARG A 88 -2.578 -11.311 3.051 1.00 0.00 C ATOM 1367 O ARG A 88 -2.975 -12.370 3.537 1.00 0.00 O ATOM 1368 CB ARG A 88 -1.518 -11.430 0.784 1.00 0.00 C ATOM 1369 CG ARG A 88 -1.716 -12.681 -0.056 1.00 0.00 C ATOM 1370 CD ARG A 88 -0.415 -13.137 -0.696 1.00 0.00 C ATOM 1371 NE ARG A 88 -0.009 -12.262 -1.794 1.00 0.00 N ATOM 1372 CZ ARG A 88 0.848 -12.619 -2.749 1.00 0.00 C ATOM 1373 NH1 ARG A 88 1.393 -13.830 -2.744 1.00 0.00 N ATOM 1374 NH2 ARG A 88 1.161 -11.763 -3.711 1.00 0.00 N ATOM 0 H ARG A 88 -2.335 -9.101 0.828 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.619 -11.593 1.208 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.217 -10.609 0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.700 -11.598 1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.114 -13.480 0.569 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.455 -12.485 -0.833 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.371 -13.161 0.058 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.531 -14.155 -1.068 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.405 -11.323 -1.831 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.156 -14.493 -2.006 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.049 -14.097 -3.478 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.746 -10.831 -3.720 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.817 -12.036 -4.443 1.00 0.00 H new ATOM 1388 N GLU A 89 -1.970 -10.370 3.767 1.00 0.00 N ATOM 1389 CA GLU A 89 -1.729 -10.535 5.196 1.00 0.00 C ATOM 1390 C GLU A 89 -3.043 -10.714 5.952 1.00 0.00 C ATOM 1391 O GLU A 89 -3.253 -11.728 6.619 1.00 0.00 O ATOM 1392 CB GLU A 89 -0.965 -9.329 5.749 1.00 0.00 C ATOM 1393 CG GLU A 89 0.464 -9.650 6.157 1.00 0.00 C ATOM 1394 CD GLU A 89 1.488 -9.079 5.195 1.00 0.00 C ATOM 1395 OE1 GLU A 89 1.756 -7.862 5.266 1.00 0.00 O ATOM 1396 OE2 GLU A 89 2.022 -9.851 4.370 1.00 0.00 O ATOM 0 H GLU A 89 -1.636 -9.487 3.382 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.126 -11.432 5.337 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.951 -8.542 4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.501 -8.934 6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 89 0.650 -9.255 7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.588 -10.732 6.213 1.00 0.00 H new ATOM 1403 N ALA A 90 -3.923 -9.724 5.845 1.00 0.00 N ATOM 1404 CA ALA A 90 -5.215 -9.774 6.519 1.00 0.00 C ATOM 1405 C ALA A 90 -6.056 -10.940 6.013 1.00 0.00 C ATOM 1406 O ALA A 90 -6.591 -11.721 6.800 1.00 0.00 O ATOM 1407 CB ALA A 90 -5.961 -8.461 6.328 1.00 0.00 C ATOM 0 H ALA A 90 -3.765 -8.878 5.298 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.035 -9.927 7.583 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.924 -8.512 6.836 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.373 -7.644 6.746 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.121 -8.285 5.264 1.00 0.00 H new