USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 474 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 18 MET CE :methyl 180:sc= -0.157 (180deg=-0.157) USER MOD Set 1.2: A 86 GLN : amide:sc= 0 X(o=-0.16,f=-0.65) USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.00236 USER MOD Single : A 17 CYS SG : rot 180:sc=-0.00499 USER MOD Single : A 19 GLN : amide:sc= -0.707 X(o=-0.71,f=-0.44) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0242) USER MOD Single : A 44 MET CE :methyl 164:sc=-0.00289 (180deg=-0.189) USER MOD Single : A 58 TYR OH : rot -95:sc= 0.143 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0616 USER MOD Single : A 66 SER OG : rot -150:sc= 0 USER MOD Single : A 74 THR OG1 : rot 25:sc= 1.2 USER MOD Single : A 76 GLN : amide:sc= -0.498 X(o=-0.5,f=-0.063) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N ARG A 13 0.880 10.084 -1.525 1.00 14.21 N ATOM 164 CA ARG A 13 1.474 9.089 -2.437 1.00 15.01 C ATOM 165 C ARG A 13 1.999 7.824 -1.746 1.00 73.24 C ATOM 166 O ARG A 13 3.149 7.418 -1.928 1.00 23.24 O ATOM 167 CB ARG A 13 2.505 9.773 -3.350 1.00 31.14 C ATOM 168 CG ARG A 13 1.795 10.533 -4.477 1.00 54.40 C ATOM 169 CD ARG A 13 2.566 11.775 -4.899 1.00 14.42 C ATOM 170 NE ARG A 13 3.715 11.492 -5.769 1.00 1.12 N ATOM 171 CZ ARG A 13 4.414 12.460 -6.369 1.00 11.14 C ATOM 172 NH1 ARG A 13 4.178 13.737 -6.067 1.00 52.01 N ATOM 173 NH2 ARG A 13 5.323 12.148 -7.281 1.00 21.15 N ATOM 0 HA ARG A 13 0.671 8.700 -3.063 1.00 15.01 H new ATOM 0 HB2 ARG A 13 3.117 10.461 -2.767 1.00 31.14 H new ATOM 0 HB3 ARG A 13 3.178 9.027 -3.773 1.00 31.14 H new ATOM 0 HG2 ARG A 13 1.670 9.874 -5.336 1.00 54.40 H new ATOM 0 HG3 ARG A 13 0.796 10.820 -4.148 1.00 54.40 H new ATOM 0 HD2 ARG A 13 1.888 12.453 -5.417 1.00 14.42 H new ATOM 0 HD3 ARG A 13 2.917 12.294 -4.007 1.00 14.42 H new ATOM 0 HE ARG A 13 3.989 10.521 -5.921 1.00 1.12 H new ATOM 0 HH11 ARG A 13 3.464 13.975 -5.378 1.00 52.01 H new ATOM 0 HH12 ARG A 13 4.711 14.476 -6.525 1.00 52.01 H new ATOM 0 HH21 ARG A 13 5.488 11.171 -7.523 1.00 21.15 H new ATOM 0 HH22 ARG A 13 5.858 12.885 -7.741 1.00 21.15 H new ATOM 184 N THR A 14 1.113 7.111 -1.063 1.00 43.04 N ATOM 185 CA THR A 14 1.382 5.806 -0.465 1.00 43.42 C ATOM 186 C THR A 14 0.103 4.978 -0.602 1.00 35.22 C ATOM 187 O THR A 14 -0.974 5.519 -0.854 1.00 44.12 O ATOM 188 CB THR A 14 1.804 5.966 1.019 1.00 72.51 C ATOM 189 OG1 THR A 14 2.405 7.225 1.259 1.00 0.33 O ATOM 190 CG2 THR A 14 2.714 4.889 1.586 1.00 43.22 C ATOM 0 H THR A 14 0.158 7.433 -0.904 1.00 43.04 H new ATOM 0 HA THR A 14 2.207 5.304 -0.970 1.00 43.42 H new ATOM 0 HB THR A 14 0.853 5.868 1.543 1.00 72.51 H new ATOM 0 HG1 THR A 14 2.657 7.292 2.204 1.00 0.33 H new ATOM 0 HG21 THR A 14 2.937 5.113 2.629 1.00 43.22 H new ATOM 0 HG22 THR A 14 2.217 3.921 1.521 1.00 43.22 H new ATOM 0 HG23 THR A 14 3.642 4.859 1.015 1.00 43.22 H new ATOM 198 N VAL A 15 0.190 3.670 -0.398 1.00 51.44 N ATOM 199 CA VAL A 15 -0.966 2.801 -0.149 1.00 15.44 C ATOM 200 C VAL A 15 -0.868 2.210 1.259 1.00 71.43 C ATOM 201 O VAL A 15 0.022 2.605 2.016 1.00 0.41 O ATOM 202 CB VAL A 15 -1.167 1.795 -1.300 1.00 22.25 C ATOM 203 CG1 VAL A 15 -1.615 2.519 -2.578 1.00 50.02 C ATOM 204 CG2 VAL A 15 0.106 0.994 -1.589 1.00 22.31 C ATOM 0 H VAL A 15 1.079 3.169 -0.400 1.00 51.44 H new ATOM 0 HA VAL A 15 -1.893 3.375 -0.154 1.00 15.44 H new ATOM 0 HB VAL A 15 -1.943 1.099 -0.982 1.00 22.25 H new ATOM 0 HG11 VAL A 15 -1.752 1.792 -3.379 1.00 50.02 H new ATOM 0 HG12 VAL A 15 -2.557 3.036 -2.392 1.00 50.02 H new ATOM 0 HG13 VAL A 15 -0.855 3.243 -2.871 1.00 50.02 H new ATOM 0 HG21 VAL A 15 -0.080 0.297 -2.406 1.00 22.31 H new ATOM 0 HG22 VAL A 15 0.909 1.676 -1.869 1.00 22.31 H new ATOM 0 HG23 VAL A 15 0.396 0.438 -0.698 1.00 22.31 H new ATOM 214 N PHE A 16 -1.810 1.359 1.685 1.00 24.31 N ATOM 215 CA PHE A 16 -1.738 0.715 2.988 1.00 3.41 C ATOM 216 C PHE A 16 -2.322 -0.694 2.923 1.00 1.14 C ATOM 217 O PHE A 16 -3.536 -0.906 2.915 1.00 61.33 O ATOM 218 CB PHE A 16 -2.395 1.572 4.074 1.00 31.14 C ATOM 219 CG PHE A 16 -2.379 0.941 5.453 1.00 1.22 C ATOM 220 CD1 PHE A 16 -1.350 0.054 5.832 1.00 62.12 C ATOM 221 CD2 PHE A 16 -3.418 1.225 6.356 1.00 22.32 C ATOM 222 CE1 PHE A 16 -1.407 -0.610 7.059 1.00 75.43 C ATOM 223 CE2 PHE A 16 -3.480 0.546 7.585 1.00 63.32 C ATOM 224 CZ PHE A 16 -2.479 -0.383 7.934 1.00 44.30 C ATOM 0 H PHE A 16 -2.632 1.104 1.138 1.00 24.31 H new ATOM 0 HA PHE A 16 -0.689 0.619 3.267 1.00 3.41 H new ATOM 0 HB2 PHE A 16 -1.885 2.534 4.120 1.00 31.14 H new ATOM 0 HB3 PHE A 16 -3.428 1.772 3.789 1.00 31.14 H new ATOM 0 HD1 PHE A 16 -0.513 -0.113 5.170 1.00 62.12 H new ATOM 0 HD2 PHE A 16 -4.166 1.963 6.106 1.00 22.32 H new ATOM 0 HE1 PHE A 16 -0.623 -1.300 7.335 1.00 75.43 H new ATOM 0 HE2 PHE A 16 -4.298 0.737 8.264 1.00 63.32 H new ATOM 0 HZ PHE A 16 -2.537 -0.917 8.871 1.00 44.30 H new ATOM 233 N CYS A 17 -1.420 -1.663 2.876 1.00 13.12 N ATOM 234 CA CYS A 17 -1.688 -3.081 2.826 1.00 4.42 C ATOM 235 C CYS A 17 -1.822 -3.617 4.255 1.00 52.43 C ATOM 236 O CYS A 17 -0.818 -3.945 4.891 1.00 2.32 O ATOM 237 CB CYS A 17 -0.554 -3.780 2.067 1.00 70.51 C ATOM 238 SG CYS A 17 -0.193 -2.940 0.491 1.00 61.30 S ATOM 0 H CYS A 17 -0.420 -1.460 2.872 1.00 13.12 H new ATOM 0 HA CYS A 17 -2.622 -3.277 2.299 1.00 4.42 H new ATOM 0 HB2 CYS A 17 0.343 -3.798 2.686 1.00 70.51 H new ATOM 0 HB3 CYS A 17 -0.828 -4.817 1.874 1.00 70.51 H new ATOM 0 HG CYS A 17 0.773 -3.560 -0.120 1.00 61.30 H new ATOM 243 N MET A 18 -3.054 -3.705 4.764 1.00 42.04 N ATOM 244 CA MET A 18 -3.369 -4.183 6.115 1.00 23.53 C ATOM 245 C MET A 18 -4.030 -5.577 6.047 1.00 55.20 C ATOM 246 O MET A 18 -5.091 -5.804 6.643 1.00 40.43 O ATOM 247 CB MET A 18 -4.241 -3.125 6.819 1.00 63.52 C ATOM 248 CG MET A 18 -4.345 -3.340 8.341 1.00 20.11 C ATOM 249 SD MET A 18 -5.245 -2.062 9.270 1.00 20.12 S ATOM 250 CE MET A 18 -6.900 -2.268 8.568 1.00 12.32 C ATOM 0 H MET A 18 -3.884 -3.439 4.234 1.00 42.04 H new ATOM 0 HA MET A 18 -2.462 -4.311 6.706 1.00 23.53 H new ATOM 0 HB2 MET A 18 -3.827 -2.135 6.626 1.00 63.52 H new ATOM 0 HB3 MET A 18 -5.242 -3.142 6.387 1.00 63.52 H new ATOM 0 HG2 MET A 18 -4.830 -4.300 8.520 1.00 20.11 H new ATOM 0 HG3 MET A 18 -3.336 -3.413 8.747 1.00 20.11 H new ATOM 0 HE1 MET A 18 -7.583 -1.555 9.031 1.00 12.32 H new ATOM 0 HE2 MET A 18 -6.864 -2.091 7.493 1.00 12.32 H new ATOM 0 HE3 MET A 18 -7.252 -3.282 8.757 1.00 12.32 H new ATOM 258 N GLN A 19 -3.478 -6.485 5.226 1.00 54.03 N ATOM 259 CA GLN A 19 -3.996 -7.843 5.032 1.00 11.05 C ATOM 260 C GLN A 19 -2.942 -8.724 4.341 1.00 5.24 C ATOM 261 O GLN A 19 -3.086 -9.081 3.174 1.00 30.24 O ATOM 262 CB GLN A 19 -5.324 -7.787 4.240 1.00 25.23 C ATOM 263 CG GLN A 19 -6.208 -9.011 4.509 1.00 45.23 C ATOM 264 CD GLN A 19 -7.651 -8.840 4.019 1.00 51.23 C ATOM 265 OE1 GLN A 19 -8.595 -9.135 4.750 1.00 72.20 O ATOM 266 NE2 GLN A 19 -7.878 -8.330 2.819 1.00 31.54 N ATOM 0 H GLN A 19 -2.645 -6.290 4.670 1.00 54.03 H new ATOM 0 HA GLN A 19 -4.207 -8.298 6.000 1.00 11.05 H new ATOM 0 HB2 GLN A 19 -5.868 -6.881 4.509 1.00 25.23 H new ATOM 0 HB3 GLN A 19 -5.107 -7.724 3.174 1.00 25.23 H new ATOM 0 HG2 GLN A 19 -5.768 -9.882 4.023 1.00 45.23 H new ATOM 0 HG3 GLN A 19 -6.218 -9.215 5.580 1.00 45.23 H new ATOM 0 HE21 GLN A 19 -7.095 -8.085 2.212 1.00 31.54 H new ATOM 0 HE22 GLN A 19 -8.836 -8.182 2.501 1.00 31.54 H new ATOM 273 N LEU A 20 -1.846 -9.032 5.029 1.00 73.34 N ATOM 274 CA LEU A 20 -0.675 -9.683 4.434 1.00 1.11 C ATOM 275 C LEU A 20 -0.642 -11.180 4.761 1.00 3.02 C ATOM 276 O LEU A 20 -1.388 -11.649 5.626 1.00 70.22 O ATOM 277 CB LEU A 20 0.606 -8.939 4.858 1.00 14.15 C ATOM 278 CG LEU A 20 0.617 -7.452 4.442 1.00 54.30 C ATOM 279 CD1 LEU A 20 1.916 -6.795 4.902 1.00 74.34 C ATOM 280 CD2 LEU A 20 0.487 -7.261 2.926 1.00 72.30 C ATOM 0 H LEU A 20 -1.741 -8.836 6.025 1.00 73.34 H new ATOM 0 HA LEU A 20 -0.741 -9.622 3.348 1.00 1.11 H new ATOM 0 HB2 LEU A 20 0.715 -9.007 5.940 1.00 14.15 H new ATOM 0 HB3 LEU A 20 1.470 -9.438 4.419 1.00 14.15 H new ATOM 0 HG LEU A 20 -0.247 -6.988 4.918 1.00 54.30 H new ATOM 0 HD11 LEU A 20 1.918 -5.746 4.606 1.00 74.34 H new ATOM 0 HD12 LEU A 20 1.995 -6.866 5.987 1.00 74.34 H new ATOM 0 HD13 LEU A 20 2.764 -7.303 4.442 1.00 74.34 H new ATOM 0 HD21 LEU A 20 0.500 -6.197 2.691 1.00 72.30 H new ATOM 0 HD22 LEU A 20 1.320 -7.754 2.424 1.00 72.30 H new ATOM 0 HD23 LEU A 20 -0.452 -7.696 2.584 1.00 72.30 H new ATOM 291 N ALA A 21 0.203 -11.940 4.053 1.00 45.20 N ATOM 292 CA ALA A 21 0.416 -13.371 4.271 1.00 2.11 C ATOM 293 C ALA A 21 1.700 -13.610 5.061 1.00 31.13 C ATOM 294 O ALA A 21 2.504 -12.700 5.266 1.00 12.43 O ATOM 295 CB ALA A 21 0.479 -14.132 2.941 1.00 14.04 C ATOM 0 H ALA A 21 0.771 -11.564 3.294 1.00 45.20 H new ATOM 0 HA ALA A 21 -0.432 -13.745 4.845 1.00 2.11 H new ATOM 0 HB1 ALA A 21 0.638 -15.193 3.136 1.00 14.04 H new ATOM 0 HB2 ALA A 21 -0.458 -13.999 2.401 1.00 14.04 H new ATOM 0 HB3 ALA A 21 1.302 -13.746 2.340 1.00 14.04 H new ATOM 301 N ALA A 22 1.903 -14.866 5.469 1.00 30.15 N ATOM 302 CA ALA A 22 2.983 -15.246 6.362 1.00 31.31 C ATOM 303 C ALA A 22 4.354 -15.201 5.701 1.00 64.54 C ATOM 304 O ALA A 22 5.340 -14.982 6.409 1.00 73.30 O ATOM 305 CB ALA A 22 2.738 -16.659 6.895 1.00 74.40 C ATOM 0 H ALA A 22 1.314 -15.648 5.182 1.00 30.15 H new ATOM 0 HA ALA A 22 2.987 -14.516 7.171 1.00 31.31 H new ATOM 0 HB1 ALA A 22 3.550 -16.941 7.565 1.00 74.40 H new ATOM 0 HB2 ALA A 22 1.794 -16.684 7.439 1.00 74.40 H new ATOM 0 HB3 ALA A 22 2.695 -17.360 6.061 1.00 74.40 H new ATOM 311 N ARG A 23 4.454 -15.456 4.396 1.00 10.32 N ATOM 312 CA ARG A 23 5.721 -15.645 3.685 1.00 62.44 C ATOM 313 C ARG A 23 5.755 -14.715 2.478 1.00 13.34 C ATOM 314 O ARG A 23 5.967 -15.128 1.337 1.00 42.01 O ATOM 315 CB ARG A 23 5.892 -17.152 3.403 1.00 61.14 C ATOM 316 CG ARG A 23 7.333 -17.638 3.170 1.00 43.50 C ATOM 317 CD ARG A 23 7.758 -17.552 1.706 1.00 52.33 C ATOM 318 NE ARG A 23 8.953 -18.362 1.438 1.00 3.21 N ATOM 319 CZ ARG A 23 10.183 -17.925 1.154 1.00 24.24 C ATOM 320 NH1 ARG A 23 10.503 -16.639 1.258 1.00 61.23 N ATOM 321 NH2 ARG A 23 11.096 -18.801 0.751 1.00 32.32 N ATOM 0 H ARG A 23 3.638 -15.539 3.789 1.00 10.32 H new ATOM 0 HA ARG A 23 6.596 -15.361 4.270 1.00 62.44 H new ATOM 0 HB2 ARG A 23 5.474 -17.708 4.242 1.00 61.14 H new ATOM 0 HB3 ARG A 23 5.298 -17.406 2.525 1.00 61.14 H new ATOM 0 HG2 ARG A 23 8.015 -17.042 3.777 1.00 43.50 H new ATOM 0 HG3 ARG A 23 7.423 -18.670 3.509 1.00 43.50 H new ATOM 0 HD2 ARG A 23 6.940 -17.889 1.069 1.00 52.33 H new ATOM 0 HD3 ARG A 23 7.957 -16.512 1.446 1.00 52.33 H new ATOM 0 HE ARG A 23 8.830 -19.374 1.473 1.00 3.21 H new ATOM 0 HH11 ARG A 23 9.803 -15.962 1.560 1.00 61.23 H new ATOM 0 HH12 ARG A 23 11.449 -16.329 1.036 1.00 61.23 H new ATOM 0 HH21 ARG A 23 10.852 -19.788 0.663 1.00 32.32 H new ATOM 0 HH22 ARG A 23 12.041 -18.487 0.529 1.00 32.32 H new ATOM 332 N ILE A 24 5.488 -13.441 2.723 1.00 71.20 N ATOM 333 CA ILE A 24 5.658 -12.384 1.742 1.00 44.01 C ATOM 334 C ILE A 24 7.145 -11.988 1.693 1.00 64.12 C ATOM 335 O ILE A 24 7.874 -12.165 2.670 1.00 63.41 O ATOM 336 CB ILE A 24 4.672 -11.251 2.104 1.00 13.15 C ATOM 337 CG1 ILE A 24 4.683 -10.146 1.037 1.00 31.43 C ATOM 338 CG2 ILE A 24 4.878 -10.673 3.515 1.00 62.20 C ATOM 339 CD1 ILE A 24 3.438 -9.260 1.083 1.00 70.33 C ATOM 0 H ILE A 24 5.142 -13.109 3.623 1.00 71.20 H new ATOM 0 HA ILE A 24 5.414 -12.688 0.724 1.00 44.01 H new ATOM 0 HB ILE A 24 3.683 -11.710 2.119 1.00 13.15 H new ATOM 0 HG12 ILE A 24 5.569 -9.526 1.173 1.00 31.43 H new ATOM 0 HG13 ILE A 24 4.762 -10.602 0.050 1.00 31.43 H new ATOM 0 HG21 ILE A 24 4.149 -9.883 3.695 1.00 62.20 H new ATOM 0 HG22 ILE A 24 4.747 -11.463 4.254 1.00 62.20 H new ATOM 0 HG23 ILE A 24 5.885 -10.263 3.597 1.00 62.20 H new ATOM 0 HD11 ILE A 24 3.504 -8.499 0.306 1.00 70.33 H new ATOM 0 HD12 ILE A 24 2.550 -9.871 0.918 1.00 70.33 H new ATOM 0 HD13 ILE A 24 3.370 -8.778 2.058 1.00 70.33 H new ATOM 350 N ARG A 25 7.624 -11.456 0.567 1.00 31.12 N ATOM 351 CA ARG A 25 8.931 -10.802 0.452 1.00 12.05 C ATOM 352 C ARG A 25 8.689 -9.315 0.213 1.00 10.34 C ATOM 353 O ARG A 25 7.635 -8.981 -0.326 1.00 72.54 O ATOM 354 CB ARG A 25 9.719 -11.410 -0.726 1.00 3.31 C ATOM 355 CG ARG A 25 10.570 -12.619 -0.303 1.00 32.34 C ATOM 356 CD ARG A 25 11.395 -13.188 -1.467 1.00 64.32 C ATOM 357 NE ARG A 25 10.572 -13.942 -2.429 1.00 43.32 N ATOM 358 CZ ARG A 25 10.451 -15.272 -2.525 1.00 24.25 C ATOM 359 NH1 ARG A 25 11.193 -16.103 -1.803 1.00 24.04 N ATOM 360 NH2 ARG A 25 9.569 -15.801 -3.361 1.00 11.11 N ATOM 0 H ARG A 25 7.103 -11.468 -0.310 1.00 31.12 H new ATOM 0 HA ARG A 25 9.514 -10.947 1.362 1.00 12.05 H new ATOM 0 HB2 ARG A 25 9.022 -11.716 -1.506 1.00 3.31 H new ATOM 0 HB3 ARG A 25 10.367 -10.647 -1.158 1.00 3.31 H new ATOM 0 HG2 ARG A 25 11.240 -12.324 0.504 1.00 32.34 H new ATOM 0 HG3 ARG A 25 9.919 -13.398 0.093 1.00 32.34 H new ATOM 0 HD2 ARG A 25 11.897 -12.371 -1.986 1.00 64.32 H new ATOM 0 HD3 ARG A 25 12.174 -13.840 -1.071 1.00 64.32 H new ATOM 0 HE ARG A 25 10.034 -13.389 -3.096 1.00 43.32 H new ATOM 0 HH11 ARG A 25 11.883 -15.733 -1.149 1.00 24.04 H new ATOM 0 HH12 ARG A 25 11.073 -17.111 -1.902 1.00 24.04 H new ATOM 0 HH21 ARG A 25 8.981 -15.195 -3.933 1.00 11.11 H new ATOM 0 HH22 ARG A 25 9.478 -16.814 -3.433 1.00 11.11 H new ATOM 371 N PRO A 26 9.671 -8.427 0.455 1.00 11.34 N ATOM 372 CA PRO A 26 9.550 -7.019 0.087 1.00 3.35 C ATOM 373 C PRO A 26 9.345 -6.823 -1.424 1.00 41.24 C ATOM 374 O PRO A 26 8.822 -5.799 -1.848 1.00 3.12 O ATOM 375 CB PRO A 26 10.826 -6.341 0.592 1.00 53.33 C ATOM 376 CG PRO A 26 11.841 -7.480 0.654 1.00 73.32 C ATOM 377 CD PRO A 26 10.984 -8.692 1.026 1.00 41.24 C ATOM 0 HA PRO A 26 8.664 -6.574 0.540 1.00 3.35 H new ATOM 0 HB2 PRO A 26 11.153 -5.550 -0.083 1.00 53.33 H new ATOM 0 HB3 PRO A 26 10.676 -5.884 1.570 1.00 53.33 H new ATOM 0 HG2 PRO A 26 12.346 -7.622 -0.302 1.00 73.32 H new ATOM 0 HG3 PRO A 26 12.614 -7.290 1.398 1.00 73.32 H new ATOM 0 HD2 PRO A 26 11.409 -9.612 0.624 1.00 41.24 H new ATOM 0 HD3 PRO A 26 10.925 -8.814 2.108 1.00 41.24 H new ATOM 382 N ARG A 27 9.720 -7.797 -2.255 1.00 22.13 N ATOM 383 CA ARG A 27 9.438 -7.758 -3.683 1.00 33.23 C ATOM 384 C ARG A 27 7.951 -7.945 -3.986 1.00 64.50 C ATOM 385 O ARG A 27 7.464 -7.350 -4.936 1.00 65.40 O ATOM 386 CB ARG A 27 10.268 -8.840 -4.389 1.00 71.11 C ATOM 387 CG ARG A 27 10.900 -8.298 -5.672 1.00 21.35 C ATOM 388 CD ARG A 27 12.213 -7.552 -5.396 1.00 53.04 C ATOM 389 NE ARG A 27 12.808 -7.068 -6.649 1.00 32.33 N ATOM 390 CZ ARG A 27 14.067 -6.658 -6.853 1.00 42.34 C ATOM 391 NH1 ARG A 27 14.994 -6.764 -5.903 1.00 2.41 N ATOM 392 NH2 ARG A 27 14.384 -6.127 -8.029 1.00 70.31 N ATOM 0 H ARG A 27 10.226 -8.630 -1.954 1.00 22.13 H new ATOM 0 HA ARG A 27 9.713 -6.772 -4.056 1.00 33.23 H new ATOM 0 HB2 ARG A 27 11.049 -9.199 -3.719 1.00 71.11 H new ATOM 0 HB3 ARG A 27 9.633 -9.694 -4.625 1.00 71.11 H new ATOM 0 HG2 ARG A 27 11.089 -9.123 -6.359 1.00 21.35 H new ATOM 0 HG3 ARG A 27 10.198 -7.626 -6.166 1.00 21.35 H new ATOM 0 HD2 ARG A 27 12.026 -6.711 -4.728 1.00 53.04 H new ATOM 0 HD3 ARG A 27 12.913 -8.214 -4.887 1.00 53.04 H new ATOM 0 HE ARG A 27 12.189 -7.041 -7.460 1.00 32.33 H new ATOM 0 HH11 ARG A 27 14.752 -7.164 -4.997 1.00 2.41 H new ATOM 0 HH12 ARG A 27 15.946 -6.445 -6.082 1.00 2.41 H new ATOM 0 HH21 ARG A 27 13.674 -6.038 -8.756 1.00 70.31 H new ATOM 0 HH22 ARG A 27 15.337 -5.809 -8.205 1.00 70.31 H new ATOM 403 N ASP A 28 7.211 -8.752 -3.218 1.00 42.03 N ATOM 404 CA ASP A 28 5.832 -9.113 -3.608 1.00 63.31 C ATOM 405 C ASP A 28 4.930 -7.882 -3.705 1.00 52.11 C ATOM 406 O ASP A 28 4.037 -7.821 -4.549 1.00 23.25 O ATOM 407 CB ASP A 28 5.209 -10.095 -2.603 1.00 33.23 C ATOM 408 CG ASP A 28 4.778 -11.432 -3.204 1.00 61.52 C ATOM 409 OD1 ASP A 28 5.486 -11.948 -4.102 1.00 14.44 O ATOM 410 OD2 ASP A 28 3.894 -12.087 -2.613 1.00 21.12 O ATOM 0 H ASP A 28 7.529 -9.163 -2.340 1.00 42.03 H new ATOM 0 HA ASP A 28 5.903 -9.584 -4.588 1.00 63.31 H new ATOM 0 HB2 ASP A 28 5.929 -10.285 -1.807 1.00 33.23 H new ATOM 0 HB3 ASP A 28 4.342 -9.622 -2.143 1.00 33.23 H new ATOM 414 N LEU A 29 5.179 -6.899 -2.834 1.00 30.15 N ATOM 415 CA LEU A 29 4.349 -5.711 -2.703 1.00 74.41 C ATOM 416 C LEU A 29 4.401 -4.890 -3.988 1.00 24.13 C ATOM 417 O LEU A 29 3.382 -4.342 -4.410 1.00 24.12 O ATOM 418 CB LEU A 29 4.809 -4.803 -1.545 1.00 32.52 C ATOM 419 CG LEU A 29 4.775 -5.323 -0.093 1.00 12.15 C ATOM 420 CD1 LEU A 29 3.377 -5.746 0.338 1.00 3.14 C ATOM 421 CD2 LEU A 29 5.765 -6.460 0.168 1.00 52.32 C ATOM 0 H LEU A 29 5.974 -6.912 -2.195 1.00 30.15 H new ATOM 0 HA LEU A 29 3.336 -6.059 -2.500 1.00 74.41 H new ATOM 0 HB2 LEU A 29 5.835 -4.503 -1.757 1.00 32.52 H new ATOM 0 HB3 LEU A 29 4.199 -3.900 -1.580 1.00 32.52 H new ATOM 0 HG LEU A 29 5.085 -4.472 0.514 1.00 12.15 H new ATOM 0 HD11 LEU A 29 3.406 -6.104 1.367 1.00 3.14 H new ATOM 0 HD12 LEU A 29 2.702 -4.893 0.270 1.00 3.14 H new ATOM 0 HD13 LEU A 29 3.021 -6.544 -0.314 1.00 3.14 H new ATOM 0 HD21 LEU A 29 5.688 -6.778 1.208 1.00 52.32 H new ATOM 0 HD22 LEU A 29 5.534 -7.301 -0.486 1.00 52.32 H new ATOM 0 HD23 LEU A 29 6.779 -6.113 -0.032 1.00 52.32 H new ATOM 432 N GLU A 30 5.596 -4.760 -4.571 1.00 25.32 N ATOM 433 CA GLU A 30 5.808 -4.007 -5.794 1.00 50.42 C ATOM 434 C GLU A 30 5.439 -4.862 -7.004 1.00 61.10 C ATOM 435 O GLU A 30 4.881 -4.317 -7.951 1.00 62.44 O ATOM 436 CB GLU A 30 7.248 -3.480 -5.889 1.00 52.31 C ATOM 437 CG GLU A 30 8.319 -4.554 -5.669 1.00 51.04 C ATOM 438 CD GLU A 30 9.732 -4.081 -5.957 1.00 12.45 C ATOM 439 OE1 GLU A 30 9.984 -3.432 -6.996 1.00 24.34 O ATOM 440 OE2 GLU A 30 10.627 -4.388 -5.139 1.00 44.40 O ATOM 0 H GLU A 30 6.447 -5.181 -4.198 1.00 25.32 H new ATOM 0 HA GLU A 30 5.156 -3.134 -5.780 1.00 50.42 H new ATOM 0 HB2 GLU A 30 7.395 -3.030 -6.871 1.00 52.31 H new ATOM 0 HB3 GLU A 30 7.384 -2.689 -5.152 1.00 52.31 H new ATOM 0 HG2 GLU A 30 8.266 -4.901 -4.637 1.00 51.04 H new ATOM 0 HG3 GLU A 30 8.096 -5.411 -6.305 1.00 51.04 H new ATOM 445 N GLU A 31 5.677 -6.181 -6.980 1.00 64.40 N ATOM 446 CA GLU A 31 5.307 -7.068 -8.085 1.00 10.14 C ATOM 447 C GLU A 31 3.793 -7.111 -8.277 1.00 21.32 C ATOM 448 O GLU A 31 3.311 -7.417 -9.373 1.00 72.13 O ATOM 449 CB GLU A 31 5.814 -8.499 -7.847 1.00 41.31 C ATOM 450 CG GLU A 31 7.321 -8.675 -8.044 1.00 21.13 C ATOM 451 CD GLU A 31 7.782 -8.306 -9.458 1.00 32.13 C ATOM 452 OE1 GLU A 31 7.615 -9.093 -10.416 1.00 30.22 O ATOM 453 OE2 GLU A 31 8.345 -7.200 -9.630 1.00 21.51 O ATOM 0 H GLU A 31 6.128 -6.657 -6.199 1.00 64.40 H new ATOM 0 HA GLU A 31 5.775 -6.663 -8.982 1.00 10.14 H new ATOM 0 HB2 GLU A 31 5.555 -8.799 -6.832 1.00 41.31 H new ATOM 0 HB3 GLU A 31 5.290 -9.175 -8.523 1.00 41.31 H new ATOM 0 HG2 GLU A 31 7.852 -8.056 -7.321 1.00 21.13 H new ATOM 0 HG3 GLU A 31 7.591 -9.710 -7.837 1.00 21.13 H new ATOM 458 N PHE A 32 3.025 -6.815 -7.228 1.00 3.23 N ATOM 459 CA PHE A 32 1.602 -6.580 -7.380 1.00 61.20 C ATOM 460 C PHE A 32 1.356 -5.321 -8.211 1.00 25.21 C ATOM 461 O PHE A 32 0.822 -5.412 -9.321 1.00 43.14 O ATOM 462 CB PHE A 32 0.871 -6.502 -6.036 1.00 50.10 C ATOM 463 CG PHE A 32 -0.643 -6.482 -6.197 1.00 21.34 C ATOM 464 CD1 PHE A 32 -1.284 -7.401 -7.055 1.00 2.22 C ATOM 465 CD2 PHE A 32 -1.425 -5.541 -5.501 1.00 5.44 C ATOM 466 CE1 PHE A 32 -2.680 -7.411 -7.179 1.00 54.01 C ATOM 467 CE2 PHE A 32 -2.825 -5.556 -5.621 1.00 73.51 C ATOM 468 CZ PHE A 32 -3.453 -6.501 -6.447 1.00 72.34 C ATOM 0 H PHE A 32 3.369 -6.734 -6.271 1.00 3.23 H new ATOM 0 HA PHE A 32 1.188 -7.439 -7.908 1.00 61.20 H new ATOM 0 HB2 PHE A 32 1.157 -7.355 -5.421 1.00 50.10 H new ATOM 0 HB3 PHE A 32 1.189 -5.605 -5.505 1.00 50.10 H new ATOM 0 HD1 PHE A 32 -0.692 -8.104 -7.622 1.00 2.22 H new ATOM 0 HD2 PHE A 32 -0.947 -4.804 -4.872 1.00 5.44 H new ATOM 0 HE1 PHE A 32 -3.159 -8.120 -7.838 1.00 54.01 H new ATOM 0 HE2 PHE A 32 -3.420 -4.838 -5.076 1.00 73.51 H new ATOM 0 HZ PHE A 32 -4.530 -6.526 -6.518 1.00 72.34 H new ATOM 477 N PHE A 33 1.706 -4.150 -7.669 1.00 13.13 N ATOM 478 CA PHE A 33 1.296 -2.861 -8.218 1.00 50.23 C ATOM 479 C PHE A 33 1.993 -2.507 -9.531 1.00 4.23 C ATOM 480 O PHE A 33 1.459 -1.699 -10.289 1.00 43.14 O ATOM 481 CB PHE A 33 1.539 -1.756 -7.192 1.00 11.11 C ATOM 482 CG PHE A 33 0.776 -1.894 -5.894 1.00 5.41 C ATOM 483 CD1 PHE A 33 -0.629 -2.001 -5.907 1.00 3.35 C ATOM 484 CD2 PHE A 33 1.463 -1.848 -4.668 1.00 42.04 C ATOM 485 CE1 PHE A 33 -1.337 -2.078 -4.697 1.00 65.30 C ATOM 486 CE2 PHE A 33 0.757 -1.946 -3.464 1.00 43.11 C ATOM 487 CZ PHE A 33 -0.639 -2.054 -3.480 1.00 21.11 C ATOM 0 H PHE A 33 2.285 -4.073 -6.833 1.00 13.13 H new ATOM 0 HA PHE A 33 0.233 -2.947 -8.442 1.00 50.23 H new ATOM 0 HB2 PHE A 33 2.605 -1.723 -6.965 1.00 11.11 H new ATOM 0 HB3 PHE A 33 1.280 -0.799 -7.646 1.00 11.11 H new ATOM 0 HD1 PHE A 33 -1.161 -2.024 -6.847 1.00 3.35 H new ATOM 0 HD2 PHE A 33 2.537 -1.737 -4.656 1.00 42.04 H new ATOM 0 HE1 PHE A 33 -2.414 -2.155 -4.703 1.00 65.30 H new ATOM 0 HE2 PHE A 33 1.288 -1.938 -2.524 1.00 43.11 H new ATOM 0 HZ PHE A 33 -1.182 -2.119 -2.549 1.00 21.11 H new ATOM 496 N SER A 34 3.131 -3.133 -9.838 1.00 31.42 N ATOM 497 CA SER A 34 3.864 -2.968 -11.086 1.00 43.02 C ATOM 498 C SER A 34 2.938 -3.172 -12.293 1.00 43.30 C ATOM 499 O SER A 34 3.152 -2.575 -13.351 1.00 2.44 O ATOM 500 CB SER A 34 5.038 -3.959 -11.071 1.00 74.51 C ATOM 501 OG SER A 34 5.930 -3.836 -12.160 1.00 70.32 O ATOM 0 H SER A 34 3.579 -3.790 -9.200 1.00 31.42 H new ATOM 0 HA SER A 34 4.254 -1.954 -11.177 1.00 43.02 H new ATOM 0 HB2 SER A 34 5.597 -3.825 -10.145 1.00 74.51 H new ATOM 0 HB3 SER A 34 4.639 -4.973 -11.059 1.00 74.51 H new ATOM 0 HG SER A 34 6.646 -4.500 -12.073 1.00 70.32 H new ATOM 506 N THR A 35 1.885 -3.983 -12.158 1.00 32.24 N ATOM 507 CA THR A 35 1.050 -4.355 -13.291 1.00 23.25 C ATOM 508 C THR A 35 0.093 -3.205 -13.674 1.00 10.02 C ATOM 509 O THR A 35 -0.444 -3.218 -14.784 1.00 62.11 O ATOM 510 CB THR A 35 0.370 -5.694 -12.950 1.00 10.24 C ATOM 511 OG1 THR A 35 0.038 -6.443 -14.100 1.00 21.15 O ATOM 512 CG2 THR A 35 -0.888 -5.560 -12.088 1.00 10.11 C ATOM 0 H THR A 35 1.594 -4.393 -11.270 1.00 32.24 H new ATOM 0 HA THR A 35 1.637 -4.512 -14.196 1.00 23.25 H new ATOM 0 HB THR A 35 1.127 -6.219 -12.368 1.00 10.24 H new ATOM 0 HG1 THR A 35 -0.389 -7.283 -13.831 1.00 21.15 H new ATOM 0 HG21 THR A 35 -1.304 -6.549 -11.895 1.00 10.11 H new ATOM 0 HG22 THR A 35 -0.632 -5.083 -11.142 1.00 10.11 H new ATOM 0 HG23 THR A 35 -1.626 -4.953 -12.613 1.00 10.11 H new ATOM 520 N VAL A 36 -0.094 -2.195 -12.811 1.00 64.21 N ATOM 521 CA VAL A 36 -0.971 -1.048 -13.061 1.00 72.23 C ATOM 522 C VAL A 36 -0.304 0.303 -12.769 1.00 64.51 C ATOM 523 O VAL A 36 -0.893 1.350 -13.043 1.00 13.01 O ATOM 524 CB VAL A 36 -2.307 -1.196 -12.299 1.00 42.43 C ATOM 525 CG1 VAL A 36 -3.153 -2.377 -12.793 1.00 33.42 C ATOM 526 CG2 VAL A 36 -2.113 -1.342 -10.781 1.00 4.03 C ATOM 0 H VAL A 36 0.370 -2.155 -11.904 1.00 64.21 H new ATOM 0 HA VAL A 36 -1.182 -1.050 -14.130 1.00 72.23 H new ATOM 0 HB VAL A 36 -2.838 -0.267 -12.507 1.00 42.43 H new ATOM 0 HG11 VAL A 36 -4.078 -2.427 -12.219 1.00 33.42 H new ATOM 0 HG12 VAL A 36 -3.388 -2.240 -13.848 1.00 33.42 H new ATOM 0 HG13 VAL A 36 -2.595 -3.304 -12.663 1.00 33.42 H new ATOM 0 HG21 VAL A 36 -3.085 -1.442 -10.298 1.00 4.03 H new ATOM 0 HG22 VAL A 36 -1.512 -2.228 -10.575 1.00 4.03 H new ATOM 0 HG23 VAL A 36 -1.604 -0.460 -10.393 1.00 4.03 H new ATOM 536 N GLY A 37 0.923 0.320 -12.255 1.00 30.44 N ATOM 537 CA GLY A 37 1.625 1.520 -11.833 1.00 63.52 C ATOM 538 C GLY A 37 3.066 1.174 -11.482 1.00 72.21 C ATOM 539 O GLY A 37 3.576 0.171 -11.978 1.00 14.42 O ATOM 0 H GLY A 37 1.470 -0.530 -12.118 1.00 30.44 H new ATOM 0 HA2 GLY A 37 1.603 2.265 -12.629 1.00 63.52 H new ATOM 0 HA3 GLY A 37 1.126 1.961 -10.970 1.00 63.52 H new ATOM 543 N LYS A 38 3.733 1.987 -10.651 1.00 71.51 N ATOM 544 CA LYS A 38 5.002 1.605 -10.035 1.00 4.04 C ATOM 545 C LYS A 38 5.122 2.184 -8.621 1.00 73.52 C ATOM 546 O LYS A 38 4.780 3.345 -8.366 1.00 51.33 O ATOM 547 CB LYS A 38 6.188 2.001 -10.933 1.00 51.01 C ATOM 548 CG LYS A 38 6.403 3.517 -10.966 1.00 72.24 C ATOM 549 CD LYS A 38 7.582 3.957 -11.832 1.00 52.00 C ATOM 550 CE LYS A 38 7.194 4.037 -13.306 1.00 43.01 C ATOM 551 NZ LYS A 38 6.452 5.288 -13.571 1.00 52.22 N ATOM 0 H LYS A 38 3.408 2.918 -10.392 1.00 71.51 H new ATOM 0 HA LYS A 38 5.026 0.520 -9.935 1.00 4.04 H new ATOM 0 HB2 LYS A 38 7.094 1.514 -10.572 1.00 51.01 H new ATOM 0 HB3 LYS A 38 6.013 1.638 -11.946 1.00 51.01 H new ATOM 0 HG2 LYS A 38 5.496 3.995 -11.335 1.00 72.24 H new ATOM 0 HG3 LYS A 38 6.560 3.874 -9.948 1.00 72.24 H new ATOM 0 HD2 LYS A 38 7.939 4.930 -11.495 1.00 52.00 H new ATOM 0 HD3 LYS A 38 8.407 3.255 -11.709 1.00 52.00 H new ATOM 0 HE2 LYS A 38 8.088 3.997 -13.928 1.00 43.01 H new ATOM 0 HE3 LYS A 38 6.580 3.177 -13.575 1.00 43.01 H new ATOM 0 HZ1 LYS A 38 6.326 5.406 -14.597 1.00 52.22 H new ATOM 0 HZ2 LYS A 38 5.520 5.243 -13.111 1.00 52.22 H new ATOM 0 HZ3 LYS A 38 6.987 6.096 -13.192 1.00 52.22 H new ATOM 561 N VAL A 39 5.648 1.378 -7.711 1.00 44.33 N ATOM 562 CA VAL A 39 6.062 1.760 -6.369 1.00 64.41 C ATOM 563 C VAL A 39 7.328 2.621 -6.469 1.00 73.44 C ATOM 564 O VAL A 39 8.200 2.321 -7.285 1.00 64.53 O ATOM 565 CB VAL A 39 6.308 0.443 -5.604 1.00 31.51 C ATOM 566 CG1 VAL A 39 7.089 0.627 -4.309 1.00 4.23 C ATOM 567 CG2 VAL A 39 4.976 -0.250 -5.292 1.00 51.21 C ATOM 0 H VAL A 39 5.806 0.388 -7.899 1.00 44.33 H new ATOM 0 HA VAL A 39 5.314 2.353 -5.844 1.00 64.41 H new ATOM 0 HB VAL A 39 6.917 -0.175 -6.263 1.00 31.51 H new ATOM 0 HG11 VAL A 39 7.224 -0.340 -3.825 1.00 4.23 H new ATOM 0 HG12 VAL A 39 8.064 1.061 -4.531 1.00 4.23 H new ATOM 0 HG13 VAL A 39 6.538 1.292 -3.643 1.00 4.23 H new ATOM 0 HG21 VAL A 39 5.166 -1.178 -4.752 1.00 51.21 H new ATOM 0 HG22 VAL A 39 4.359 0.407 -4.679 1.00 51.21 H new ATOM 0 HG23 VAL A 39 4.455 -0.472 -6.223 1.00 51.21 H new ATOM 577 N ARG A 40 7.498 3.648 -5.621 1.00 5.34 N ATOM 578 CA ARG A 40 8.779 4.277 -5.425 1.00 35.23 C ATOM 579 C ARG A 40 9.601 3.465 -4.428 1.00 0.43 C ATOM 580 O ARG A 40 10.740 3.114 -4.732 1.00 15.35 O ATOM 581 CB ARG A 40 8.624 5.723 -5.038 1.00 54.12 C ATOM 582 CG ARG A 40 7.811 6.175 -3.853 1.00 35.25 C ATOM 583 CD ARG A 40 7.773 7.686 -3.991 1.00 22.45 C ATOM 584 NE ARG A 40 7.138 8.370 -2.852 1.00 0.03 N ATOM 585 CZ ARG A 40 6.416 9.498 -2.866 1.00 21.41 C ATOM 586 NH1 ARG A 40 6.285 10.204 -3.984 1.00 35.45 N ATOM 587 NH2 ARG A 40 5.854 9.939 -1.746 1.00 22.45 N ATOM 0 H ARG A 40 6.745 4.051 -5.063 1.00 5.34 H new ATOM 0 HA ARG A 40 9.330 4.287 -6.365 1.00 35.23 H new ATOM 0 HB2 ARG A 40 9.631 6.112 -4.888 1.00 54.12 H new ATOM 0 HB3 ARG A 40 8.211 6.233 -5.908 1.00 54.12 H new ATOM 0 HG2 ARG A 40 6.809 5.747 -3.870 1.00 35.25 H new ATOM 0 HG3 ARG A 40 8.272 5.871 -2.913 1.00 35.25 H new ATOM 0 HD2 ARG A 40 8.792 8.057 -4.104 1.00 22.45 H new ATOM 0 HD3 ARG A 40 7.236 7.945 -4.904 1.00 22.45 H new ATOM 0 HE ARG A 40 7.263 7.931 -1.940 1.00 0.03 H new ATOM 0 HH11 ARG A 40 6.737 9.888 -4.842 1.00 35.45 H new ATOM 0 HH12 ARG A 40 5.733 11.062 -3.984 1.00 35.45 H new ATOM 0 HH21 ARG A 40 5.973 9.419 -0.877 1.00 22.45 H new ATOM 0 HH22 ARG A 40 5.304 10.798 -1.755 1.00 22.45 H new ATOM 598 N ASP A 41 9.034 3.130 -3.263 1.00 14.44 N ATOM 599 CA ASP A 41 9.756 2.405 -2.211 1.00 41.21 C ATOM 600 C ASP A 41 8.811 1.473 -1.445 1.00 4.13 C ATOM 601 O ASP A 41 7.787 1.927 -0.924 1.00 15.43 O ATOM 602 CB ASP A 41 10.403 3.420 -1.249 1.00 14.41 C ATOM 603 CG ASP A 41 11.813 2.985 -0.870 1.00 54.41 C ATOM 604 OD1 ASP A 41 11.965 1.958 -0.168 1.00 42.10 O ATOM 605 OD2 ASP A 41 12.789 3.638 -1.308 1.00 63.22 O ATOM 0 H ASP A 41 8.068 3.352 -3.024 1.00 14.44 H new ATOM 0 HA ASP A 41 10.532 1.792 -2.670 1.00 41.21 H new ATOM 0 HB2 ASP A 41 10.435 4.403 -1.719 1.00 14.41 H new ATOM 0 HB3 ASP A 41 9.793 3.516 -0.350 1.00 14.41 H new ATOM 609 N VAL A 42 9.111 0.174 -1.373 1.00 53.11 N ATOM 610 CA VAL A 42 8.406 -0.753 -0.495 1.00 11.35 C ATOM 611 C VAL A 42 8.834 -0.507 0.947 1.00 22.31 C ATOM 612 O VAL A 42 9.929 -0.892 1.358 1.00 13.31 O ATOM 613 CB VAL A 42 8.619 -2.222 -0.902 1.00 32.42 C ATOM 614 CG1 VAL A 42 7.979 -3.177 0.123 1.00 43.12 C ATOM 615 CG2 VAL A 42 8.012 -2.473 -2.291 1.00 62.41 C ATOM 0 H VAL A 42 9.851 -0.262 -1.924 1.00 53.11 H new ATOM 0 HA VAL A 42 7.336 -0.566 -0.589 1.00 11.35 H new ATOM 0 HB VAL A 42 9.691 -2.415 -0.931 1.00 32.42 H new ATOM 0 HG11 VAL A 42 8.144 -4.208 -0.188 1.00 43.12 H new ATOM 0 HG12 VAL A 42 8.431 -3.017 1.102 1.00 43.12 H new ATOM 0 HG13 VAL A 42 6.908 -2.983 0.182 1.00 43.12 H new ATOM 0 HG21 VAL A 42 8.166 -3.515 -2.573 1.00 62.41 H new ATOM 0 HG22 VAL A 42 6.944 -2.259 -2.265 1.00 62.41 H new ATOM 0 HG23 VAL A 42 8.495 -1.824 -3.022 1.00 62.41 H new ATOM 625 N ARG A 43 7.924 0.069 1.727 1.00 53.13 N ATOM 626 CA ARG A 43 8.046 0.231 3.162 1.00 63.51 C ATOM 627 C ARG A 43 7.133 -0.789 3.834 1.00 71.20 C ATOM 628 O ARG A 43 5.979 -0.498 4.154 1.00 21.34 O ATOM 629 CB ARG A 43 7.739 1.696 3.468 1.00 44.30 C ATOM 630 CG ARG A 43 7.766 2.056 4.957 1.00 13.23 C ATOM 631 CD ARG A 43 8.208 3.513 5.021 1.00 42.12 C ATOM 632 NE ARG A 43 8.013 4.134 6.328 1.00 31.43 N ATOM 633 CZ ARG A 43 8.272 5.425 6.539 1.00 35.15 C ATOM 634 NH1 ARG A 43 9.034 6.105 5.688 1.00 60.32 N ATOM 635 NH2 ARG A 43 7.722 6.011 7.593 1.00 15.23 N ATOM 0 H ARG A 43 7.052 0.448 1.358 1.00 53.13 H new ATOM 0 HA ARG A 43 9.042 0.030 3.556 1.00 63.51 H new ATOM 0 HB2 ARG A 43 8.461 2.322 2.943 1.00 44.30 H new ATOM 0 HB3 ARG A 43 6.755 1.939 3.067 1.00 44.30 H new ATOM 0 HG2 ARG A 43 6.783 1.925 5.409 1.00 13.23 H new ATOM 0 HG3 ARG A 43 8.456 1.413 5.503 1.00 13.23 H new ATOM 0 HD2 ARG A 43 9.263 3.574 4.754 1.00 42.12 H new ATOM 0 HD3 ARG A 43 7.657 4.083 4.273 1.00 42.12 H new ATOM 0 HE ARG A 43 7.669 3.564 7.101 1.00 31.43 H new ATOM 0 HH11 ARG A 43 9.424 5.639 4.868 1.00 60.32 H new ATOM 0 HH12 ARG A 43 9.229 7.092 5.855 1.00 60.32 H new ATOM 0 HH21 ARG A 43 7.119 5.476 8.217 1.00 15.23 H new ATOM 0 HH22 ARG A 43 7.902 6.997 7.780 1.00 15.23 H new ATOM 646 N MET A 44 7.627 -2.017 3.966 1.00 12.22 N ATOM 647 CA MET A 44 7.016 -3.050 4.802 1.00 60.53 C ATOM 648 C MET A 44 7.496 -2.872 6.245 1.00 73.50 C ATOM 649 O MET A 44 8.575 -2.319 6.470 1.00 23.15 O ATOM 650 CB MET A 44 7.354 -4.448 4.261 1.00 22.24 C ATOM 651 CG MET A 44 8.857 -4.715 4.067 1.00 74.20 C ATOM 652 SD MET A 44 9.517 -6.196 4.881 1.00 20.14 S ATOM 653 CE MET A 44 8.475 -7.466 4.126 1.00 35.33 C ATOM 0 H MET A 44 8.474 -2.328 3.490 1.00 12.22 H new ATOM 0 HA MET A 44 5.931 -2.950 4.781 1.00 60.53 H new ATOM 0 HB2 MET A 44 6.951 -5.195 4.945 1.00 22.24 H new ATOM 0 HB3 MET A 44 6.848 -4.585 3.305 1.00 22.24 H new ATOM 0 HG2 MET A 44 9.056 -4.794 2.998 1.00 74.20 H new ATOM 0 HG3 MET A 44 9.409 -3.849 4.431 1.00 74.20 H new ATOM 0 HE1 MET A 44 8.921 -8.447 4.289 1.00 35.33 H new ATOM 0 HE2 MET A 44 7.483 -7.439 4.577 1.00 35.33 H new ATOM 0 HE3 MET A 44 8.392 -7.279 3.055 1.00 35.33 H new ATOM 661 N ILE A 45 6.717 -3.307 7.240 1.00 41.23 N ATOM 662 CA ILE A 45 7.050 -3.114 8.643 1.00 32.22 C ATOM 663 C ILE A 45 6.672 -4.389 9.403 1.00 4.32 C ATOM 664 O ILE A 45 5.841 -5.171 8.935 1.00 32.13 O ATOM 665 CB ILE A 45 6.347 -1.854 9.221 1.00 31.34 C ATOM 666 CG1 ILE A 45 6.217 -0.624 8.294 1.00 53.44 C ATOM 667 CG2 ILE A 45 7.156 -1.381 10.445 1.00 63.44 C ATOM 668 CD1 ILE A 45 5.080 -0.670 7.280 1.00 23.32 C ATOM 0 H ILE A 45 5.838 -3.803 7.089 1.00 41.23 H new ATOM 0 HA ILE A 45 8.120 -2.936 8.754 1.00 32.22 H new ATOM 0 HB ILE A 45 5.329 -2.187 9.423 1.00 31.34 H new ATOM 0 HG12 ILE A 45 6.088 0.262 8.915 1.00 53.44 H new ATOM 0 HG13 ILE A 45 7.155 -0.500 7.753 1.00 53.44 H new ATOM 0 HG21 ILE A 45 6.685 -0.496 10.872 1.00 63.44 H new ATOM 0 HG22 ILE A 45 7.183 -2.174 11.192 1.00 63.44 H new ATOM 0 HG23 ILE A 45 8.173 -1.138 10.137 1.00 63.44 H new ATOM 0 HD11 ILE A 45 5.086 0.244 6.685 1.00 23.32 H new ATOM 0 HD12 ILE A 45 5.212 -1.531 6.624 1.00 23.32 H new ATOM 0 HD13 ILE A 45 4.128 -0.756 7.804 1.00 23.32 H new ATOM 814 N GLY A 55 0.682 -7.369 10.585 1.00 40.02 N ATOM 815 CA GLY A 55 0.954 -7.415 9.155 1.00 61.31 C ATOM 816 C GLY A 55 0.559 -6.093 8.518 1.00 33.15 C ATOM 817 O GLY A 55 -0.633 -5.811 8.395 1.00 62.22 O ATOM 0 HA2 GLY A 55 2.012 -7.612 8.982 1.00 61.31 H new ATOM 0 HA3 GLY A 55 0.398 -8.232 8.695 1.00 61.31 H new ATOM 821 N ILE A 56 1.561 -5.284 8.154 1.00 53.33 N ATOM 822 CA ILE A 56 1.398 -3.952 7.581 1.00 0.34 C ATOM 823 C ILE A 56 2.508 -3.677 6.559 1.00 54.44 C ATOM 824 O ILE A 56 3.685 -3.944 6.821 1.00 43.23 O ATOM 825 CB ILE A 56 1.409 -2.869 8.691 1.00 72.11 C ATOM 826 CG1 ILE A 56 2.556 -3.036 9.711 1.00 51.00 C ATOM 827 CG2 ILE A 56 0.054 -2.853 9.428 1.00 44.14 C ATOM 828 CD1 ILE A 56 2.788 -1.783 10.568 1.00 74.12 C ATOM 0 H ILE A 56 2.540 -5.553 8.256 1.00 53.33 H new ATOM 0 HA ILE A 56 0.433 -3.912 7.075 1.00 0.34 H new ATOM 0 HB ILE A 56 1.579 -1.918 8.186 1.00 72.11 H new ATOM 0 HG12 ILE A 56 2.333 -3.879 10.364 1.00 51.00 H new ATOM 0 HG13 ILE A 56 3.475 -3.280 9.178 1.00 51.00 H new ATOM 0 HG21 ILE A 56 0.072 -2.089 10.206 1.00 44.14 H new ATOM 0 HG22 ILE A 56 -0.743 -2.630 8.719 1.00 44.14 H new ATOM 0 HG23 ILE A 56 -0.125 -3.828 9.881 1.00 44.14 H new ATOM 0 HD11 ILE A 56 3.607 -1.965 11.264 1.00 74.12 H new ATOM 0 HD12 ILE A 56 3.041 -0.942 9.922 1.00 74.12 H new ATOM 0 HD13 ILE A 56 1.881 -1.551 11.127 1.00 74.12 H new ATOM 839 N ALA A 57 2.151 -3.083 5.418 1.00 32.33 N ATOM 840 CA ALA A 57 3.082 -2.447 4.496 1.00 64.40 C ATOM 841 C ALA A 57 2.408 -1.186 3.955 1.00 33.32 C ATOM 842 O ALA A 57 1.227 -1.231 3.618 1.00 23.22 O ATOM 843 CB ALA A 57 3.515 -3.417 3.386 1.00 32.33 C ATOM 0 H ALA A 57 1.181 -3.032 5.106 1.00 32.33 H new ATOM 0 HA ALA A 57 4.003 -2.167 5.007 1.00 64.40 H new ATOM 0 HB1 ALA A 57 4.210 -2.914 2.714 1.00 32.33 H new ATOM 0 HB2 ALA A 57 4.004 -4.284 3.831 1.00 32.33 H new ATOM 0 HB3 ALA A 57 2.639 -3.743 2.825 1.00 32.33 H new ATOM 849 N TYR A 58 3.130 -0.068 3.900 1.00 43.02 N ATOM 850 CA TYR A 58 2.663 1.196 3.330 1.00 60.11 C ATOM 851 C TYR A 58 3.627 1.585 2.222 1.00 15.04 C ATOM 852 O TYR A 58 4.441 2.492 2.385 1.00 73.33 O ATOM 853 CB TYR A 58 2.623 2.331 4.362 1.00 23.13 C ATOM 854 CG TYR A 58 1.749 2.144 5.566 1.00 11.04 C ATOM 855 CD1 TYR A 58 2.183 1.290 6.579 1.00 21.25 C ATOM 856 CD2 TYR A 58 0.599 2.922 5.737 1.00 43.42 C ATOM 857 CE1 TYR A 58 1.514 1.234 7.807 1.00 54.31 C ATOM 858 CE2 TYR A 58 -0.105 2.862 6.953 1.00 64.30 C ATOM 859 CZ TYR A 58 0.352 2.022 7.998 1.00 75.20 C ATOM 860 OH TYR A 58 -0.320 2.010 9.186 1.00 52.24 O ATOM 0 H TYR A 58 4.083 -0.014 4.261 1.00 43.02 H new ATOM 0 HA TYR A 58 1.646 1.052 2.965 1.00 60.11 H new ATOM 0 HB2 TYR A 58 3.641 2.505 4.710 1.00 23.13 H new ATOM 0 HB3 TYR A 58 2.301 3.239 3.851 1.00 23.13 H new ATOM 0 HD1 TYR A 58 3.047 0.663 6.414 1.00 21.25 H new ATOM 0 HD2 TYR A 58 0.254 3.565 4.940 1.00 43.42 H new ATOM 0 HE1 TYR A 58 1.879 0.598 8.600 1.00 54.31 H new ATOM 0 HE2 TYR A 58 -0.996 3.457 7.090 1.00 64.30 H new ATOM 0 HH TYR A 58 -1.059 1.368 9.137 1.00 52.24 H new ATOM 869 N VAL A 59 3.595 0.855 1.116 1.00 11.03 N ATOM 870 CA VAL A 59 4.502 1.122 0.032 1.00 23.43 C ATOM 871 C VAL A 59 4.172 2.471 -0.596 1.00 41.14 C ATOM 872 O VAL A 59 3.003 2.828 -0.785 1.00 51.01 O ATOM 873 CB VAL A 59 4.568 -0.067 -0.922 1.00 14.13 C ATOM 874 CG1 VAL A 59 4.685 -1.393 -0.156 1.00 14.15 C ATOM 875 CG2 VAL A 59 3.454 -0.147 -1.956 1.00 61.10 C ATOM 0 H VAL A 59 2.952 0.080 0.955 1.00 11.03 H new ATOM 0 HA VAL A 59 5.525 1.224 0.393 1.00 23.43 H new ATOM 0 HB VAL A 59 5.475 0.110 -1.499 1.00 14.13 H new ATOM 0 HG11 VAL A 59 4.730 -2.220 -0.865 1.00 14.15 H new ATOM 0 HG12 VAL A 59 5.591 -1.385 0.450 1.00 14.15 H new ATOM 0 HG13 VAL A 59 3.817 -1.517 0.492 1.00 14.15 H new ATOM 0 HG21 VAL A 59 3.599 -1.029 -2.580 1.00 61.10 H new ATOM 0 HG22 VAL A 59 2.491 -0.216 -1.449 1.00 61.10 H new ATOM 0 HG23 VAL A 59 3.472 0.746 -2.580 1.00 61.10 H new ATOM 885 N GLU A 60 5.210 3.251 -0.859 1.00 4.23 N ATOM 886 CA GLU A 60 5.067 4.569 -1.433 1.00 4.02 C ATOM 887 C GLU A 60 4.876 4.405 -2.932 1.00 0.34 C ATOM 888 O GLU A 60 5.527 3.558 -3.553 1.00 44.13 O ATOM 889 CB GLU A 60 6.320 5.386 -1.161 1.00 32.24 C ATOM 890 CG GLU A 60 6.510 5.861 0.272 1.00 21.43 C ATOM 891 CD GLU A 60 7.848 6.595 0.439 1.00 52.13 C ATOM 892 OE1 GLU A 60 8.240 7.379 -0.466 1.00 73.34 O ATOM 893 OE2 GLU A 60 8.512 6.382 1.477 1.00 53.21 O ATOM 0 H GLU A 60 6.177 2.981 -0.677 1.00 4.23 H new ATOM 0 HA GLU A 60 4.213 5.086 -0.994 1.00 4.02 H new ATOM 0 HB2 GLU A 60 7.187 4.789 -1.442 1.00 32.24 H new ATOM 0 HB3 GLU A 60 6.309 6.259 -1.813 1.00 32.24 H new ATOM 0 HG2 GLU A 60 5.691 6.524 0.550 1.00 21.43 H new ATOM 0 HG3 GLU A 60 6.473 5.008 0.949 1.00 21.43 H new ATOM 898 N PHE A 61 4.069 5.265 -3.544 1.00 73.44 N ATOM 899 CA PHE A 61 3.897 5.278 -4.992 1.00 54.41 C ATOM 900 C PHE A 61 4.587 6.447 -5.668 1.00 21.14 C ATOM 901 O PHE A 61 4.720 7.527 -5.100 1.00 4.03 O ATOM 902 CB PHE A 61 2.417 5.228 -5.379 1.00 52.30 C ATOM 903 CG PHE A 61 2.175 4.115 -6.369 1.00 51.01 C ATOM 904 CD1 PHE A 61 2.439 2.793 -5.970 1.00 50.40 C ATOM 905 CD2 PHE A 61 1.729 4.377 -7.676 1.00 11.44 C ATOM 906 CE1 PHE A 61 2.278 1.738 -6.877 1.00 2.34 C ATOM 907 CE2 PHE A 61 1.543 3.313 -8.572 1.00 30.45 C ATOM 908 CZ PHE A 61 1.821 1.992 -8.178 1.00 33.23 C ATOM 0 H PHE A 61 3.518 5.969 -3.053 1.00 73.44 H new ATOM 0 HA PHE A 61 4.385 4.374 -5.357 1.00 54.41 H new ATOM 0 HB2 PHE A 61 1.806 5.073 -4.490 1.00 52.30 H new ATOM 0 HB3 PHE A 61 2.114 6.182 -5.811 1.00 52.30 H new ATOM 0 HD1 PHE A 61 2.767 2.590 -4.961 1.00 50.40 H new ATOM 0 HD2 PHE A 61 1.531 5.391 -7.989 1.00 11.44 H new ATOM 0 HE1 PHE A 61 2.506 0.727 -6.574 1.00 2.34 H new ATOM 0 HE2 PHE A 61 1.184 3.510 -9.571 1.00 30.45 H new ATOM 0 HZ PHE A 61 1.683 1.178 -8.874 1.00 33.23 H new ATOM 917 N VAL A 62 4.982 6.228 -6.920 1.00 70.30 N ATOM 918 CA VAL A 62 5.559 7.270 -7.755 1.00 63.30 C ATOM 919 C VAL A 62 4.466 8.295 -8.109 1.00 41.30 C ATOM 920 O VAL A 62 4.698 9.499 -7.995 1.00 12.05 O ATOM 921 CB VAL A 62 6.239 6.600 -8.969 1.00 51.02 C ATOM 922 CG1 VAL A 62 6.740 7.562 -10.052 1.00 5.41 C ATOM 923 CG2 VAL A 62 7.462 5.809 -8.470 1.00 53.32 C ATOM 0 H VAL A 62 4.910 5.321 -7.381 1.00 70.30 H new ATOM 0 HA VAL A 62 6.336 7.835 -7.240 1.00 63.30 H new ATOM 0 HB VAL A 62 5.468 5.980 -9.426 1.00 51.02 H new ATOM 0 HG11 VAL A 62 7.201 6.993 -10.859 1.00 5.41 H new ATOM 0 HG12 VAL A 62 5.901 8.136 -10.445 1.00 5.41 H new ATOM 0 HG13 VAL A 62 7.475 8.242 -9.622 1.00 5.41 H new ATOM 0 HG21 VAL A 62 7.955 5.329 -9.316 1.00 53.32 H new ATOM 0 HG22 VAL A 62 8.160 6.489 -7.981 1.00 53.32 H new ATOM 0 HG23 VAL A 62 7.138 5.049 -7.759 1.00 53.32 H new ATOM 933 N ASP A 63 3.257 7.845 -8.470 1.00 4.33 N ATOM 934 CA ASP A 63 2.171 8.693 -8.978 1.00 21.44 C ATOM 935 C ASP A 63 0.994 8.653 -8.013 1.00 44.31 C ATOM 936 O ASP A 63 0.665 7.596 -7.477 1.00 31.22 O ATOM 937 CB ASP A 63 1.692 8.207 -10.363 1.00 12.14 C ATOM 938 CG ASP A 63 2.293 8.978 -11.542 1.00 3.25 C ATOM 939 OD1 ASP A 63 2.108 10.220 -11.601 1.00 32.55 O ATOM 940 OD2 ASP A 63 2.901 8.333 -12.430 1.00 73.52 O ATOM 0 H ASP A 63 3.001 6.859 -8.416 1.00 4.33 H new ATOM 0 HA ASP A 63 2.552 9.710 -9.070 1.00 21.44 H new ATOM 0 HB2 ASP A 63 1.939 7.151 -10.470 1.00 12.14 H new ATOM 0 HB3 ASP A 63 0.606 8.286 -10.408 1.00 12.14 H new ATOM 944 N VAL A 64 0.315 9.787 -7.830 1.00 3.45 N ATOM 945 CA VAL A 64 -0.875 9.836 -6.985 1.00 50.30 C ATOM 946 C VAL A 64 -2.061 9.115 -7.630 1.00 5.04 C ATOM 947 O VAL A 64 -2.846 8.488 -6.927 1.00 41.03 O ATOM 948 CB VAL A 64 -1.211 11.294 -6.614 1.00 14.34 C ATOM 949 CG1 VAL A 64 -1.583 12.182 -7.812 1.00 34.15 C ATOM 950 CG2 VAL A 64 -2.345 11.336 -5.590 1.00 1.14 C ATOM 0 H VAL A 64 0.569 10.679 -8.254 1.00 3.45 H new ATOM 0 HA VAL A 64 -0.659 9.299 -6.061 1.00 50.30 H new ATOM 0 HB VAL A 64 -0.292 11.703 -6.194 1.00 14.34 H new ATOM 0 HG11 VAL A 64 -1.805 13.190 -7.463 1.00 34.15 H new ATOM 0 HG12 VAL A 64 -0.749 12.216 -8.513 1.00 34.15 H new ATOM 0 HG13 VAL A 64 -2.460 11.770 -8.312 1.00 34.15 H new ATOM 0 HG21 VAL A 64 -2.570 12.372 -5.339 1.00 1.14 H new ATOM 0 HG22 VAL A 64 -3.233 10.864 -6.011 1.00 1.14 H new ATOM 0 HG23 VAL A 64 -2.042 10.802 -4.689 1.00 1.14 H new ATOM 960 N SER A 65 -2.228 9.192 -8.952 1.00 53.40 N ATOM 961 CA SER A 65 -3.470 8.797 -9.614 1.00 4.23 C ATOM 962 C SER A 65 -3.800 7.312 -9.434 1.00 50.02 C ATOM 963 O SER A 65 -4.968 6.931 -9.500 1.00 74.10 O ATOM 964 CB SER A 65 -3.374 9.189 -11.093 1.00 25.32 C ATOM 965 OG SER A 65 -2.079 8.924 -11.608 1.00 25.32 O ATOM 0 H SER A 65 -1.508 9.529 -9.591 1.00 53.40 H new ATOM 0 HA SER A 65 -4.300 9.325 -9.144 1.00 4.23 H new ATOM 0 HB2 SER A 65 -4.117 8.637 -11.668 1.00 25.32 H new ATOM 0 HB3 SER A 65 -3.605 10.248 -11.208 1.00 25.32 H new ATOM 0 HG SER A 65 -2.044 9.181 -12.553 1.00 25.32 H new ATOM 970 N SER A 66 -2.792 6.481 -9.166 1.00 4.34 N ATOM 971 CA SER A 66 -2.956 5.062 -8.923 1.00 45.04 C ATOM 972 C SER A 66 -3.491 4.749 -7.513 1.00 54.14 C ATOM 973 O SER A 66 -3.889 3.612 -7.280 1.00 3.25 O ATOM 974 CB SER A 66 -1.601 4.380 -9.142 1.00 33.32 C ATOM 975 OG SER A 66 -0.925 4.891 -10.284 1.00 2.02 O ATOM 0 H SER A 66 -1.821 6.790 -9.112 1.00 4.34 H new ATOM 0 HA SER A 66 -3.704 4.681 -9.619 1.00 45.04 H new ATOM 0 HB2 SER A 66 -0.978 4.520 -8.259 1.00 33.32 H new ATOM 0 HB3 SER A 66 -1.750 3.307 -9.259 1.00 33.32 H new ATOM 0 HG SER A 66 -0.363 4.189 -10.673 1.00 2.02 H new ATOM 980 N VAL A 67 -3.513 5.690 -6.563 1.00 25.15 N ATOM 981 CA VAL A 67 -3.972 5.461 -5.188 1.00 23.52 C ATOM 982 C VAL A 67 -5.388 4.857 -5.153 1.00 2.04 C ATOM 983 O VAL A 67 -5.528 3.753 -4.612 1.00 50.02 O ATOM 984 CB VAL A 67 -3.791 6.748 -4.343 1.00 32.53 C ATOM 985 CG1 VAL A 67 -4.669 6.786 -3.086 1.00 24.13 C ATOM 986 CG2 VAL A 67 -2.305 6.876 -3.956 1.00 62.31 C ATOM 0 H VAL A 67 -3.207 6.649 -6.731 1.00 25.15 H new ATOM 0 HA VAL A 67 -3.346 4.703 -4.717 1.00 23.52 H new ATOM 0 HB VAL A 67 -4.112 7.590 -4.956 1.00 32.53 H new ATOM 0 HG11 VAL A 67 -4.489 7.715 -2.545 1.00 24.13 H new ATOM 0 HG12 VAL A 67 -5.719 6.731 -3.374 1.00 24.13 H new ATOM 0 HG13 VAL A 67 -4.424 5.939 -2.445 1.00 24.13 H new ATOM 0 HG21 VAL A 67 -2.160 7.777 -3.361 1.00 62.31 H new ATOM 0 HG22 VAL A 67 -2.004 6.005 -3.374 1.00 62.31 H new ATOM 0 HG23 VAL A 67 -1.698 6.937 -4.859 1.00 62.31 H new ATOM 996 N PRO A 68 -6.417 5.485 -5.756 1.00 5.15 N ATOM 997 CA PRO A 68 -7.754 4.901 -5.812 1.00 2.15 C ATOM 998 C PRO A 68 -7.830 3.615 -6.650 1.00 64.23 C ATOM 999 O PRO A 68 -8.817 2.886 -6.557 1.00 3.42 O ATOM 1000 CB PRO A 68 -8.677 6.001 -6.350 1.00 3.41 C ATOM 1001 CG PRO A 68 -7.737 6.956 -7.086 1.00 11.33 C ATOM 1002 CD PRO A 68 -6.432 6.834 -6.310 1.00 43.23 C ATOM 0 HA PRO A 68 -8.060 4.576 -4.818 1.00 2.15 H new ATOM 0 HB2 PRO A 68 -9.434 5.593 -7.020 1.00 3.41 H new ATOM 0 HB3 PRO A 68 -9.206 6.507 -5.542 1.00 3.41 H new ATOM 0 HG2 PRO A 68 -7.612 6.671 -8.131 1.00 11.33 H new ATOM 0 HG3 PRO A 68 -8.115 7.978 -7.078 1.00 11.33 H new ATOM 0 HD2 PRO A 68 -5.574 6.997 -6.962 1.00 43.23 H new ATOM 0 HD3 PRO A 68 -6.378 7.581 -5.518 1.00 43.23 H new ATOM 1007 N LEU A 69 -6.803 3.284 -7.433 1.00 5.31 N ATOM 1008 CA LEU A 69 -6.786 2.076 -8.248 1.00 41.11 C ATOM 1009 C LEU A 69 -6.711 0.853 -7.334 1.00 52.44 C ATOM 1010 O LEU A 69 -7.504 -0.076 -7.488 1.00 31.23 O ATOM 1011 CB LEU A 69 -5.612 2.138 -9.240 1.00 23.54 C ATOM 1012 CG LEU A 69 -5.900 1.498 -10.605 1.00 34.33 C ATOM 1013 CD1 LEU A 69 -4.684 1.730 -11.509 1.00 22.23 C ATOM 1014 CD2 LEU A 69 -6.194 -0.003 -10.516 1.00 33.12 C ATOM 0 H LEU A 69 -5.959 3.850 -7.518 1.00 5.31 H new ATOM 0 HA LEU A 69 -7.702 1.997 -8.834 1.00 41.11 H new ATOM 0 HB2 LEU A 69 -5.336 3.181 -9.393 1.00 23.54 H new ATOM 0 HB3 LEU A 69 -4.750 1.642 -8.795 1.00 23.54 H new ATOM 0 HG LEU A 69 -6.797 1.966 -11.012 1.00 34.33 H new ATOM 0 HD11 LEU A 69 -4.866 1.283 -12.486 1.00 22.23 H new ATOM 0 HD12 LEU A 69 -4.516 2.801 -11.625 1.00 22.23 H new ATOM 0 HD13 LEU A 69 -3.803 1.272 -11.059 1.00 22.23 H new ATOM 0 HD21 LEU A 69 -6.389 -0.395 -11.514 1.00 33.12 H new ATOM 0 HD22 LEU A 69 -5.335 -0.517 -10.086 1.00 33.12 H new ATOM 0 HD23 LEU A 69 -7.068 -0.166 -9.885 1.00 33.12 H new ATOM 1025 N ALA A 70 -5.794 0.866 -6.353 1.00 22.11 N ATOM 1026 CA ALA A 70 -5.610 -0.236 -5.409 1.00 30.34 C ATOM 1027 C ALA A 70 -6.870 -0.518 -4.590 1.00 62.33 C ATOM 1028 O ALA A 70 -7.113 -1.668 -4.228 1.00 32.52 O ATOM 1029 CB ALA A 70 -4.458 0.067 -4.452 1.00 43.13 C ATOM 0 H ALA A 70 -5.158 1.648 -6.196 1.00 22.11 H new ATOM 0 HA ALA A 70 -5.384 -1.121 -6.005 1.00 30.34 H new ATOM 0 HB1 ALA A 70 -4.335 -0.763 -3.756 1.00 43.13 H new ATOM 0 HB2 ALA A 70 -3.538 0.203 -5.021 1.00 43.13 H new ATOM 0 HB3 ALA A 70 -4.678 0.978 -3.895 1.00 43.13 H new ATOM 1035 N ILE A 71 -7.683 0.509 -4.323 1.00 12.01 N ATOM 1036 CA ILE A 71 -8.959 0.374 -3.623 1.00 44.42 C ATOM 1037 C ILE A 71 -9.851 -0.612 -4.380 1.00 12.04 C ATOM 1038 O ILE A 71 -10.468 -1.480 -3.759 1.00 51.31 O ATOM 1039 CB ILE A 71 -9.605 1.767 -3.441 1.00 5.24 C ATOM 1040 CG1 ILE A 71 -8.719 2.608 -2.496 1.00 73.51 C ATOM 1041 CG2 ILE A 71 -11.067 1.671 -2.974 1.00 24.22 C ATOM 1042 CD1 ILE A 71 -9.244 4.024 -2.247 1.00 61.14 C ATOM 0 H ILE A 71 -7.468 1.469 -4.592 1.00 12.01 H new ATOM 0 HA ILE A 71 -8.810 -0.033 -2.623 1.00 44.42 H new ATOM 0 HB ILE A 71 -9.654 2.273 -4.405 1.00 5.24 H new ATOM 0 HG12 ILE A 71 -8.631 2.091 -1.541 1.00 73.51 H new ATOM 0 HG13 ILE A 71 -7.716 2.672 -2.917 1.00 73.51 H new ATOM 0 HG21 ILE A 71 -11.479 2.674 -2.860 1.00 24.22 H new ATOM 0 HG22 ILE A 71 -11.650 1.121 -3.713 1.00 24.22 H new ATOM 0 HG23 ILE A 71 -11.110 1.150 -2.018 1.00 24.22 H new ATOM 0 HD11 ILE A 71 -8.567 4.550 -1.574 1.00 61.14 H new ATOM 0 HD12 ILE A 71 -9.305 4.561 -3.193 1.00 61.14 H new ATOM 0 HD13 ILE A 71 -10.235 3.971 -1.796 1.00 61.14 H new ATOM 1053 N GLY A 72 -9.862 -0.530 -5.715 1.00 74.54 N ATOM 1054 CA GLY A 72 -10.619 -1.433 -6.560 1.00 10.41 C ATOM 1055 C GLY A 72 -10.174 -2.889 -6.422 1.00 21.53 C ATOM 1056 O GLY A 72 -10.912 -3.788 -6.816 1.00 42.10 O ATOM 0 H GLY A 72 -9.338 0.174 -6.235 1.00 74.54 H new ATOM 0 HA2 GLY A 72 -11.677 -1.356 -6.309 1.00 10.41 H new ATOM 0 HA3 GLY A 72 -10.514 -1.123 -7.600 1.00 10.41 H new ATOM 1060 N LEU A 73 -8.973 -3.144 -5.891 1.00 31.35 N ATOM 1061 CA LEU A 73 -8.340 -4.457 -5.862 1.00 54.02 C ATOM 1062 C LEU A 73 -8.475 -5.117 -4.485 1.00 71.32 C ATOM 1063 O LEU A 73 -7.818 -6.134 -4.253 1.00 71.32 O ATOM 1064 CB LEU A 73 -6.858 -4.366 -6.287 1.00 50.30 C ATOM 1065 CG LEU A 73 -6.556 -3.525 -7.544 1.00 13.01 C ATOM 1066 CD1 LEU A 73 -5.083 -3.663 -7.932 1.00 51.04 C ATOM 1067 CD2 LEU A 73 -7.433 -3.879 -8.751 1.00 63.30 C ATOM 0 H LEU A 73 -8.402 -2.418 -5.458 1.00 31.35 H new ATOM 0 HA LEU A 73 -8.862 -5.088 -6.582 1.00 54.02 H new ATOM 0 HB2 LEU A 73 -6.289 -3.953 -5.454 1.00 50.30 H new ATOM 0 HB3 LEU A 73 -6.488 -5.377 -6.455 1.00 50.30 H new ATOM 0 HG LEU A 73 -6.788 -2.494 -7.275 1.00 13.01 H new ATOM 0 HD11 LEU A 73 -4.883 -3.064 -8.821 1.00 51.04 H new ATOM 0 HD12 LEU A 73 -4.456 -3.314 -7.111 1.00 51.04 H new ATOM 0 HD13 LEU A 73 -4.858 -4.709 -8.141 1.00 51.04 H new ATOM 0 HD21 LEU A 73 -7.162 -3.246 -9.596 1.00 63.30 H new ATOM 0 HD22 LEU A 73 -7.280 -4.925 -9.017 1.00 63.30 H new ATOM 0 HD23 LEU A 73 -8.481 -3.718 -8.499 1.00 63.30 H new ATOM 1078 N THR A 74 -9.276 -4.565 -3.558 1.00 12.24 N ATOM 1079 CA THR A 74 -9.390 -5.057 -2.180 1.00 21.44 C ATOM 1080 C THR A 74 -9.677 -6.569 -2.092 1.00 45.13 C ATOM 1081 O THR A 74 -9.242 -7.212 -1.137 1.00 51.24 O ATOM 1082 CB THR A 74 -10.384 -4.203 -1.364 1.00 31.12 C ATOM 1083 OG1 THR A 74 -10.314 -4.515 0.021 1.00 61.10 O ATOM 1084 CG2 THR A 74 -11.838 -4.332 -1.838 1.00 54.02 C ATOM 0 H THR A 74 -9.868 -3.756 -3.749 1.00 12.24 H new ATOM 0 HA THR A 74 -8.409 -4.937 -1.720 1.00 21.44 H new ATOM 0 HB THR A 74 -10.077 -3.170 -1.529 1.00 31.12 H new ATOM 0 HG1 THR A 74 -9.427 -4.876 0.231 1.00 61.10 H new ATOM 0 HG21 THR A 74 -12.479 -3.705 -1.219 1.00 54.02 H new ATOM 0 HG22 THR A 74 -11.912 -4.012 -2.877 1.00 54.02 H new ATOM 0 HG23 THR A 74 -12.157 -5.371 -1.755 1.00 54.02 H new ATOM 1092 N GLY A 75 -10.367 -7.141 -3.078 1.00 63.10 N ATOM 1093 CA GLY A 75 -10.759 -8.544 -3.124 1.00 45.30 C ATOM 1094 C GLY A 75 -10.036 -9.324 -4.217 1.00 33.13 C ATOM 1095 O GLY A 75 -10.352 -10.494 -4.448 1.00 34.44 O ATOM 0 H GLY A 75 -10.679 -6.618 -3.896 1.00 63.10 H new ATOM 0 HA2 GLY A 75 -10.554 -9.006 -2.158 1.00 45.30 H new ATOM 0 HA3 GLY A 75 -11.835 -8.611 -3.287 1.00 45.30 H new ATOM 1099 N GLN A 76 -9.081 -8.713 -4.916 1.00 34.11 N ATOM 1100 CA GLN A 76 -8.030 -9.479 -5.566 1.00 52.22 C ATOM 1101 C GLN A 76 -7.050 -9.955 -4.493 1.00 51.01 C ATOM 1102 O GLN A 76 -7.169 -9.594 -3.325 1.00 33.15 O ATOM 1103 CB GLN A 76 -7.324 -8.641 -6.629 1.00 25.55 C ATOM 1104 CG GLN A 76 -8.240 -8.235 -7.786 1.00 21.14 C ATOM 1105 CD GLN A 76 -7.429 -8.042 -9.059 1.00 62.41 C ATOM 1106 OE1 GLN A 76 -7.711 -8.655 -10.085 1.00 44.10 O ATOM 1107 NE2 GLN A 76 -6.379 -7.245 -8.996 1.00 22.11 N ATOM 0 H GLN A 76 -9.017 -7.703 -5.044 1.00 34.11 H new ATOM 0 HA GLN A 76 -8.459 -10.341 -6.076 1.00 52.22 H new ATOM 0 HB2 GLN A 76 -6.918 -7.743 -6.163 1.00 25.55 H new ATOM 0 HB3 GLN A 76 -6.479 -9.205 -7.024 1.00 25.55 H new ATOM 0 HG2 GLN A 76 -9.000 -9.001 -7.943 1.00 21.14 H new ATOM 0 HG3 GLN A 76 -8.764 -7.312 -7.537 1.00 21.14 H new ATOM 0 HE21 GLN A 76 -6.168 -6.747 -8.131 1.00 22.11 H new ATOM 0 HE22 GLN A 76 -5.779 -7.126 -9.812 1.00 22.11 H new ATOM 1114 N ARG A 77 -6.067 -10.765 -4.882 1.00 54.11 N ATOM 1115 CA ARG A 77 -4.927 -11.143 -4.060 1.00 10.12 C ATOM 1116 C ARG A 77 -3.766 -11.500 -4.974 1.00 43.10 C ATOM 1117 O ARG A 77 -3.950 -12.327 -5.873 1.00 2.41 O ATOM 1118 CB ARG A 77 -5.292 -12.313 -3.124 1.00 73.34 C ATOM 1119 CG ARG A 77 -6.175 -13.395 -3.761 1.00 33.55 C ATOM 1120 CD ARG A 77 -6.345 -14.632 -2.874 1.00 13.31 C ATOM 1121 NE ARG A 77 -5.763 -15.848 -3.475 1.00 51.34 N ATOM 1122 CZ ARG A 77 -6.307 -17.075 -3.500 1.00 62.33 C ATOM 1123 NH1 ARG A 77 -7.511 -17.315 -2.989 1.00 21.24 N ATOM 1124 NH2 ARG A 77 -5.634 -18.073 -4.046 1.00 65.42 N ATOM 0 H ARG A 77 -6.045 -11.188 -5.810 1.00 54.11 H new ATOM 0 HA ARG A 77 -4.635 -10.308 -3.423 1.00 10.12 H new ATOM 0 HB2 ARG A 77 -4.372 -12.777 -2.770 1.00 73.34 H new ATOM 0 HB3 ARG A 77 -5.805 -11.914 -2.249 1.00 73.34 H new ATOM 0 HG2 ARG A 77 -7.156 -12.973 -3.978 1.00 33.55 H new ATOM 0 HG3 ARG A 77 -5.740 -13.696 -4.714 1.00 33.55 H new ATOM 0 HD2 ARG A 77 -5.875 -14.449 -1.908 1.00 13.31 H new ATOM 0 HD3 ARG A 77 -7.406 -14.796 -2.686 1.00 13.31 H new ATOM 0 HE ARG A 77 -4.850 -15.745 -3.919 1.00 51.34 H new ATOM 0 HH11 ARG A 77 -8.045 -16.557 -2.564 1.00 21.24 H new ATOM 0 HH12 ARG A 77 -7.900 -18.257 -3.022 1.00 21.24 H new ATOM 0 HH21 ARG A 77 -4.709 -17.907 -4.444 1.00 65.42 H new ATOM 0 HH22 ARG A 77 -6.039 -19.009 -4.070 1.00 65.42 H new ATOM 1135 N VAL A 78 -2.585 -10.938 -4.729 1.00 62.32 N ATOM 1136 CA VAL A 78 -1.346 -11.479 -5.276 1.00 5.25 C ATOM 1137 C VAL A 78 -1.023 -12.708 -4.436 1.00 65.20 C ATOM 1138 O VAL A 78 -0.824 -12.598 -3.232 1.00 22.12 O ATOM 1139 CB VAL A 78 -0.216 -10.421 -5.304 1.00 3.24 C ATOM 1140 CG1 VAL A 78 0.034 -9.728 -3.961 1.00 24.41 C ATOM 1141 CG2 VAL A 78 1.118 -10.986 -5.817 1.00 43.04 C ATOM 0 H VAL A 78 -2.461 -10.105 -4.153 1.00 62.32 H new ATOM 0 HA VAL A 78 -1.452 -11.764 -6.323 1.00 5.25 H new ATOM 0 HB VAL A 78 -0.592 -9.674 -6.004 1.00 3.24 H new ATOM 0 HG11 VAL A 78 0.841 -9.003 -4.070 1.00 24.41 H new ATOM 0 HG12 VAL A 78 -0.873 -9.216 -3.641 1.00 24.41 H new ATOM 0 HG13 VAL A 78 0.313 -10.471 -3.214 1.00 24.41 H new ATOM 0 HG21 VAL A 78 1.872 -10.199 -5.814 1.00 43.04 H new ATOM 0 HG22 VAL A 78 1.441 -11.800 -5.169 1.00 43.04 H new ATOM 0 HG23 VAL A 78 0.988 -11.360 -6.832 1.00 43.04 H new ATOM 1151 N LEU A 79 -1.034 -13.892 -5.040 1.00 63.52 N ATOM 1152 CA LEU A 79 -0.566 -15.158 -4.456 1.00 34.32 C ATOM 1153 C LEU A 79 -1.233 -15.603 -3.148 1.00 53.20 C ATOM 1154 O LEU A 79 -0.856 -16.655 -2.628 1.00 45.24 O ATOM 1155 CB LEU A 79 0.974 -15.141 -4.328 1.00 53.14 C ATOM 1156 CG LEU A 79 1.745 -14.894 -5.641 1.00 10.23 C ATOM 1157 CD1 LEU A 79 3.221 -14.639 -5.325 1.00 4.33 C ATOM 1158 CD2 LEU A 79 1.618 -16.079 -6.606 1.00 10.11 C ATOM 0 H LEU A 79 -1.383 -14.007 -5.991 1.00 63.52 H new ATOM 0 HA LEU A 79 -0.886 -15.923 -5.164 1.00 34.32 H new ATOM 0 HB2 LEU A 79 1.253 -14.368 -3.612 1.00 53.14 H new ATOM 0 HB3 LEU A 79 1.297 -16.095 -3.911 1.00 53.14 H new ATOM 0 HG LEU A 79 1.311 -14.021 -6.129 1.00 10.23 H new ATOM 0 HD11 LEU A 79 3.767 -14.464 -6.252 1.00 4.33 H new ATOM 0 HD12 LEU A 79 3.309 -13.764 -4.682 1.00 4.33 H new ATOM 0 HD13 LEU A 79 3.639 -15.507 -4.816 1.00 4.33 H new ATOM 0 HD21 LEU A 79 2.175 -15.866 -7.519 1.00 10.11 H new ATOM 0 HD22 LEU A 79 2.021 -16.976 -6.136 1.00 10.11 H new ATOM 0 HD23 LEU A 79 0.568 -16.238 -6.850 1.00 10.11 H new ATOM 1169 N GLY A 80 -2.231 -14.881 -2.635 1.00 12.03 N ATOM 1170 CA GLY A 80 -2.795 -15.130 -1.316 1.00 41.00 C ATOM 1171 C GLY A 80 -2.837 -13.890 -0.413 1.00 24.52 C ATOM 1172 O GLY A 80 -3.373 -13.958 0.693 1.00 42.24 O ATOM 0 H GLY A 80 -2.670 -14.104 -3.129 1.00 12.03 H new ATOM 0 HA2 GLY A 80 -3.807 -15.517 -1.432 1.00 41.00 H new ATOM 0 HA3 GLY A 80 -2.211 -15.907 -0.823 1.00 41.00 H new ATOM 1176 N VAL A 81 -2.319 -12.755 -0.884 1.00 10.13 N ATOM 1177 CA VAL A 81 -2.222 -11.463 -0.220 1.00 45.30 C ATOM 1178 C VAL A 81 -3.232 -10.484 -0.842 1.00 23.14 C ATOM 1179 O VAL A 81 -2.906 -9.834 -1.840 1.00 13.05 O ATOM 1180 CB VAL A 81 -0.771 -10.946 -0.257 1.00 72.22 C ATOM 1181 CG1 VAL A 81 -0.668 -9.567 0.395 1.00 61.12 C ATOM 1182 CG2 VAL A 81 0.167 -11.900 0.480 1.00 50.11 C ATOM 0 H VAL A 81 -1.923 -12.718 -1.823 1.00 10.13 H new ATOM 0 HA VAL A 81 -2.482 -11.564 0.834 1.00 45.30 H new ATOM 0 HB VAL A 81 -0.479 -10.881 -1.305 1.00 72.22 H new ATOM 0 HG11 VAL A 81 0.366 -9.223 0.357 1.00 61.12 H new ATOM 0 HG12 VAL A 81 -1.305 -8.863 -0.140 1.00 61.12 H new ATOM 0 HG13 VAL A 81 -0.991 -9.631 1.434 1.00 61.12 H new ATOM 0 HG21 VAL A 81 1.185 -11.513 0.440 1.00 50.11 H new ATOM 0 HG22 VAL A 81 -0.147 -11.988 1.520 1.00 50.11 H new ATOM 0 HG23 VAL A 81 0.133 -12.881 0.007 1.00 50.11 H new ATOM 1192 N PRO A 82 -4.491 -10.449 -0.368 1.00 45.13 N ATOM 1193 CA PRO A 82 -5.433 -9.383 -0.702 1.00 74.41 C ATOM 1194 C PRO A 82 -4.980 -8.030 -0.131 1.00 45.34 C ATOM 1195 O PRO A 82 -3.902 -7.919 0.452 1.00 43.44 O ATOM 1196 CB PRO A 82 -6.782 -9.854 -0.144 1.00 54.32 C ATOM 1197 CG PRO A 82 -6.364 -10.678 1.069 1.00 12.33 C ATOM 1198 CD PRO A 82 -5.070 -11.337 0.626 1.00 52.41 C ATOM 0 HA PRO A 82 -5.500 -9.209 -1.776 1.00 74.41 H new ATOM 0 HB2 PRO A 82 -7.421 -9.016 0.135 1.00 54.32 H new ATOM 0 HB3 PRO A 82 -7.336 -10.450 -0.869 1.00 54.32 H new ATOM 0 HG2 PRO A 82 -6.214 -10.050 1.947 1.00 12.33 H new ATOM 0 HG3 PRO A 82 -7.121 -11.417 1.331 1.00 12.33 H new ATOM 0 HD2 PRO A 82 -4.393 -11.474 1.469 1.00 52.41 H new ATOM 0 HD3 PRO A 82 -5.259 -12.325 0.205 1.00 52.41 H new ATOM 1203 N ILE A 83 -5.786 -6.976 -0.304 1.00 61.40 N ATOM 1204 CA ILE A 83 -5.474 -5.628 0.182 1.00 32.13 C ATOM 1205 C ILE A 83 -6.722 -5.005 0.814 1.00 53.43 C ATOM 1206 O ILE A 83 -7.821 -5.538 0.669 1.00 44.31 O ATOM 1207 CB ILE A 83 -4.821 -4.791 -0.950 1.00 70.30 C ATOM 1208 CG1 ILE A 83 -4.335 -3.424 -0.424 1.00 71.24 C ATOM 1209 CG2 ILE A 83 -5.709 -4.596 -2.192 1.00 30.54 C ATOM 1210 CD1 ILE A 83 -3.285 -2.775 -1.312 1.00 31.35 C ATOM 0 H ILE A 83 -6.681 -7.036 -0.790 1.00 61.40 H new ATOM 0 HA ILE A 83 -4.729 -5.661 0.977 1.00 32.13 H new ATOM 0 HB ILE A 83 -3.967 -5.383 -1.279 1.00 70.30 H new ATOM 0 HG12 ILE A 83 -5.189 -2.753 -0.334 1.00 71.24 H new ATOM 0 HG13 ILE A 83 -3.924 -3.553 0.577 1.00 71.24 H new ATOM 0 HG21 ILE A 83 -5.174 -4.000 -2.932 1.00 30.54 H new ATOM 0 HG22 ILE A 83 -5.956 -5.568 -2.619 1.00 30.54 H new ATOM 0 HG23 ILE A 83 -6.626 -4.081 -1.906 1.00 30.54 H new ATOM 0 HD11 ILE A 83 -2.988 -1.818 -0.884 1.00 31.35 H new ATOM 0 HD12 ILE A 83 -2.414 -3.427 -1.382 1.00 31.35 H new ATOM 0 HD13 ILE A 83 -3.699 -2.614 -2.307 1.00 31.35 H new ATOM 1221 N ILE A 84 -6.569 -3.894 1.532 1.00 70.10 N ATOM 1222 CA ILE A 84 -7.662 -3.172 2.161 1.00 22.31 C ATOM 1223 C ILE A 84 -7.789 -1.845 1.426 1.00 72.11 C ATOM 1224 O ILE A 84 -6.801 -1.210 1.055 1.00 12.21 O ATOM 1225 CB ILE A 84 -7.409 -3.007 3.682 1.00 50.10 C ATOM 1226 CG1 ILE A 84 -7.103 -4.353 4.365 1.00 12.45 C ATOM 1227 CG2 ILE A 84 -8.579 -2.358 4.450 1.00 53.40 C ATOM 1228 CD1 ILE A 84 -8.241 -5.377 4.282 1.00 10.04 C ATOM 0 H ILE A 84 -5.658 -3.464 1.694 1.00 70.10 H new ATOM 0 HA ILE A 84 -8.603 -3.717 2.087 1.00 22.31 H new ATOM 0 HB ILE A 84 -6.548 -2.340 3.729 1.00 50.10 H new ATOM 0 HG12 ILE A 84 -6.210 -4.782 3.911 1.00 12.45 H new ATOM 0 HG13 ILE A 84 -6.871 -4.170 5.414 1.00 12.45 H new ATOM 0 HG21 ILE A 84 -8.322 -2.279 5.506 1.00 53.40 H new ATOM 0 HG22 ILE A 84 -8.771 -1.363 4.048 1.00 53.40 H new ATOM 0 HG23 ILE A 84 -9.472 -2.973 4.339 1.00 53.40 H new ATOM 0 HD11 ILE A 84 -7.942 -6.295 4.788 1.00 10.04 H new ATOM 0 HD12 ILE A 84 -9.131 -4.971 4.763 1.00 10.04 H new ATOM 0 HD13 ILE A 84 -8.460 -5.593 3.236 1.00 10.04 H new ATOM 1239 N VAL A 85 -9.026 -1.396 1.297 1.00 32.21 N ATOM 1240 CA VAL A 85 -9.425 -0.084 0.805 1.00 14.44 C ATOM 1241 C VAL A 85 -8.811 1.074 1.621 1.00 73.10 C ATOM 1242 O VAL A 85 -8.829 2.216 1.180 1.00 23.35 O ATOM 1243 CB VAL A 85 -10.964 -0.102 0.843 1.00 32.51 C ATOM 1244 CG1 VAL A 85 -11.574 1.293 0.721 1.00 71.12 C ATOM 1245 CG2 VAL A 85 -11.525 -1.100 -0.178 1.00 44.20 C ATOM 0 H VAL A 85 -9.830 -1.972 1.548 1.00 32.21 H new ATOM 0 HA VAL A 85 -9.054 0.100 -0.203 1.00 14.44 H new ATOM 0 HB VAL A 85 -11.265 -0.454 1.830 1.00 32.51 H new ATOM 0 HG11 VAL A 85 -12.661 1.219 0.754 1.00 71.12 H new ATOM 0 HG12 VAL A 85 -11.228 1.915 1.546 1.00 71.12 H new ATOM 0 HG13 VAL A 85 -11.269 1.742 -0.224 1.00 71.12 H new ATOM 0 HG21 VAL A 85 -12.614 -1.094 -0.132 1.00 44.20 H new ATOM 0 HG22 VAL A 85 -11.203 -0.816 -1.180 1.00 44.20 H new ATOM 0 HG23 VAL A 85 -11.157 -2.100 0.051 1.00 44.20 H new ATOM 1255 N GLN A 86 -8.248 0.775 2.791 1.00 50.03 N ATOM 1256 CA GLN A 86 -7.768 1.691 3.814 1.00 13.44 C ATOM 1257 C GLN A 86 -6.804 2.763 3.330 1.00 44.33 C ATOM 1258 O GLN A 86 -6.720 3.771 4.026 1.00 2.02 O ATOM 1259 CB GLN A 86 -7.061 0.898 4.933 1.00 3.35 C ATOM 1260 CG GLN A 86 -7.912 0.754 6.204 1.00 43.43 C ATOM 1261 CD GLN A 86 -7.494 1.744 7.295 1.00 75.24 C ATOM 1262 OE1 GLN A 86 -7.087 1.332 8.379 1.00 54.22 O ATOM 1263 NE2 GLN A 86 -7.560 3.046 7.057 1.00 75.50 N ATOM 0 H GLN A 86 -8.106 -0.197 3.066 1.00 50.03 H new ATOM 0 HA GLN A 86 -8.663 2.206 4.162 1.00 13.44 H new ATOM 0 HB2 GLN A 86 -6.805 -0.094 4.560 1.00 3.35 H new ATOM 0 HB3 GLN A 86 -6.124 1.395 5.185 1.00 3.35 H new ATOM 0 HG2 GLN A 86 -8.962 0.911 5.956 1.00 43.43 H new ATOM 0 HG3 GLN A 86 -7.823 -0.263 6.585 1.00 43.43 H new ATOM 0 HE21 GLN A 86 -7.898 3.383 6.156 1.00 75.50 H new ATOM 0 HE22 GLN A 86 -7.272 3.711 7.775 1.00 75.50 H new ATOM 1270 N ALA A 87 -6.055 2.513 2.243 1.00 41.34 N ATOM 1271 CA ALA A 87 -5.485 3.526 1.358 1.00 11.33 C ATOM 1272 C ALA A 87 -4.877 4.693 2.135 1.00 4.15 C ATOM 1273 O ALA A 87 -5.574 5.676 2.385 1.00 1.21 O ATOM 1274 CB ALA A 87 -6.555 4.014 0.370 1.00 54.04 C ATOM 0 H ALA A 87 -5.825 1.563 1.951 1.00 41.34 H new ATOM 0 HA ALA A 87 -4.669 3.066 0.800 1.00 11.33 H new ATOM 0 HB1 ALA A 87 -6.125 4.769 -0.288 1.00 54.04 H new ATOM 0 HB2 ALA A 87 -6.910 3.173 -0.226 1.00 54.04 H new ATOM 0 HB3 ALA A 87 -7.390 4.446 0.922 1.00 54.04 H new ATOM 1280 N SER A 88 -3.590 4.611 2.483 1.00 62.51 N ATOM 1281 CA SER A 88 -2.881 5.724 3.102 1.00 24.31 C ATOM 1282 C SER A 88 -3.178 6.984 2.277 1.00 42.33 C ATOM 1283 O SER A 88 -2.912 7.012 1.072 1.00 55.22 O ATOM 1284 CB SER A 88 -1.385 5.402 3.173 1.00 44.30 C ATOM 1285 OG SER A 88 -0.614 6.440 3.755 1.00 12.42 O ATOM 0 H SER A 88 -3.018 3.778 2.344 1.00 62.51 H new ATOM 0 HA SER A 88 -3.213 5.895 4.126 1.00 24.31 H new ATOM 0 HB2 SER A 88 -1.244 4.488 3.750 1.00 44.30 H new ATOM 0 HB3 SER A 88 -1.015 5.205 2.167 1.00 44.30 H new ATOM 0 HG SER A 88 0.329 6.176 3.774 1.00 12.42 H new