USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 486 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 44 TYR OH : rot 180:sc= 0.367 USER MOD Set 1.2: A 71 CYS SG : rot 26:sc= 0.39 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -91:sc= 0.571 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0511 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc=-0.00636 X(o=-0.0064,f=-0.3) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 86:sc= 0.0618 USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N CYS A 16 7.384 -3.413 -9.145 1.00 0.00 N ATOM 245 CA CYS A 16 6.230 -4.213 -8.771 1.00 0.00 C ATOM 246 C CYS A 16 6.716 -5.384 -7.914 1.00 0.00 C ATOM 247 O CYS A 16 6.901 -5.240 -6.707 1.00 0.00 O ATOM 248 CB CYS A 16 5.450 -4.689 -9.998 1.00 0.00 C ATOM 249 SG CYS A 16 4.091 -3.520 -10.367 1.00 0.00 S ATOM 0 HA CYS A 16 5.534 -3.605 -8.193 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.118 -4.766 -10.856 1.00 0.00 H new ATOM 0 HB3 CYS A 16 5.045 -5.685 -9.818 1.00 0.00 H new ATOM 0 HG CYS A 16 3.436 -3.932 -11.412 1.00 0.00 H new ATOM 255 N VAL A 17 6.907 -6.518 -8.573 1.00 0.00 N ATOM 256 CA VAL A 17 7.367 -7.714 -7.886 1.00 0.00 C ATOM 257 C VAL A 17 8.888 -7.653 -7.730 1.00 0.00 C ATOM 258 O VAL A 17 9.392 -7.158 -6.723 1.00 0.00 O ATOM 259 CB VAL A 17 6.892 -8.961 -8.634 1.00 0.00 C ATOM 260 CG1 VAL A 17 7.701 -10.191 -8.216 1.00 0.00 C ATOM 261 CG2 VAL A 17 5.394 -9.192 -8.420 1.00 0.00 C ATOM 0 H VAL A 17 6.752 -6.634 -9.574 1.00 0.00 H new ATOM 0 HA VAL A 17 6.939 -7.769 -6.885 1.00 0.00 H new ATOM 0 HB VAL A 17 7.057 -8.796 -9.699 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.344 -11.064 -8.762 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.755 -10.028 -8.442 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.582 -10.359 -7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.082 -10.085 -8.963 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.195 -9.326 -7.357 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.837 -8.331 -8.788 1.00 0.00 H new ATOM 271 N SER A 18 9.575 -8.164 -8.740 1.00 0.00 N ATOM 272 CA SER A 18 11.028 -8.175 -8.728 1.00 0.00 C ATOM 273 C SER A 18 11.535 -8.973 -7.524 1.00 0.00 C ATOM 274 O SER A 18 10.753 -9.360 -6.658 1.00 0.00 O ATOM 275 CB SER A 18 11.589 -6.751 -8.695 1.00 0.00 C ATOM 276 OG SER A 18 11.488 -6.109 -9.963 1.00 0.00 O ATOM 0 H SER A 18 9.152 -8.574 -9.573 1.00 0.00 H new ATOM 0 HA SER A 18 11.374 -8.652 -9.645 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.051 -6.166 -7.949 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.634 -6.780 -8.385 1.00 0.00 H new ATOM 0 HG SER A 18 11.855 -5.202 -9.901 1.00 0.00 H new ATOM 282 N GLU A 19 12.841 -9.194 -7.510 1.00 0.00 N ATOM 283 CA GLU A 19 13.462 -9.939 -6.427 1.00 0.00 C ATOM 284 C GLU A 19 13.043 -9.358 -5.075 1.00 0.00 C ATOM 285 O GLU A 19 13.036 -10.064 -4.068 1.00 0.00 O ATOM 286 CB GLU A 19 14.985 -9.949 -6.571 1.00 0.00 C ATOM 287 CG GLU A 19 15.457 -11.196 -7.322 1.00 0.00 C ATOM 288 CD GLU A 19 15.642 -10.902 -8.812 1.00 0.00 C ATOM 289 OE1 GLU A 19 16.735 -10.494 -9.232 1.00 0.00 O ATOM 290 OE2 GLU A 19 14.600 -11.113 -9.543 1.00 0.00 O ATOM 0 H GLU A 19 13.486 -8.871 -8.231 1.00 0.00 H new ATOM 0 HA GLU A 19 13.118 -10.972 -6.479 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.309 -9.055 -7.104 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.447 -9.918 -5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.398 -11.546 -6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.731 -11.999 -7.194 1.00 0.00 H new ATOM 297 N LYS A 20 12.703 -8.078 -5.096 1.00 0.00 N ATOM 298 CA LYS A 20 12.284 -7.395 -3.885 1.00 0.00 C ATOM 299 C LYS A 20 11.097 -8.139 -3.269 1.00 0.00 C ATOM 300 O LYS A 20 11.221 -8.737 -2.202 1.00 0.00 O ATOM 301 CB LYS A 20 12.002 -5.919 -4.172 1.00 0.00 C ATOM 302 CG LYS A 20 13.249 -5.065 -3.935 1.00 0.00 C ATOM 303 CD LYS A 20 12.958 -3.585 -4.190 1.00 0.00 C ATOM 304 CE LYS A 20 13.243 -2.747 -2.942 1.00 0.00 C ATOM 305 NZ LYS A 20 14.619 -2.204 -2.986 1.00 0.00 N ATOM 0 H LYS A 20 12.709 -7.496 -5.933 1.00 0.00 H new ATOM 0 HA LYS A 20 13.085 -7.405 -3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.668 -5.803 -5.203 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.191 -5.569 -3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.597 -5.199 -2.911 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.053 -5.399 -4.591 1.00 0.00 H new ATOM 0 HD2 LYS A 20 13.569 -3.228 -5.019 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.916 -3.461 -4.485 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.525 -1.930 -2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 20 13.115 -3.359 -2.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 14.796 -1.638 -2.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.301 -2.988 -3.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.729 -1.604 -3.828 1.00 0.00 H new ATOM 319 N LEU A 21 9.974 -8.078 -3.969 1.00 0.00 N ATOM 320 CA LEU A 21 8.766 -8.739 -3.505 1.00 0.00 C ATOM 321 C LEU A 21 8.994 -10.252 -3.483 1.00 0.00 C ATOM 322 O LEU A 21 8.288 -10.979 -2.786 1.00 0.00 O ATOM 323 CB LEU A 21 7.563 -8.310 -4.348 1.00 0.00 C ATOM 324 CG LEU A 21 6.465 -7.544 -3.608 1.00 0.00 C ATOM 325 CD1 LEU A 21 5.823 -8.413 -2.525 1.00 0.00 C ATOM 326 CD2 LEU A 21 7.001 -6.227 -3.042 1.00 0.00 C ATOM 0 H LEU A 21 9.875 -7.581 -4.854 1.00 0.00 H new ATOM 0 HA LEU A 21 8.534 -8.436 -2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.922 -7.689 -5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.120 -9.201 -4.793 1.00 0.00 H new ATOM 0 HG LEU A 21 5.683 -7.293 -4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.046 -7.844 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.382 -9.299 -2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.582 -8.717 -1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.200 -5.702 -2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.813 -6.434 -2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.372 -5.605 -3.857 1.00 0.00 H new ATOM 338 N LEU A 22 9.981 -10.680 -4.255 1.00 0.00 N ATOM 339 CA LEU A 22 10.311 -12.093 -4.334 1.00 0.00 C ATOM 340 C LEU A 22 10.705 -12.598 -2.944 1.00 0.00 C ATOM 341 O LEU A 22 10.165 -13.594 -2.465 1.00 0.00 O ATOM 342 CB LEU A 22 11.378 -12.336 -5.402 1.00 0.00 C ATOM 343 CG LEU A 22 11.480 -13.767 -5.936 1.00 0.00 C ATOM 344 CD1 LEU A 22 10.400 -14.038 -6.985 1.00 0.00 C ATOM 345 CD2 LEU A 22 12.884 -14.054 -6.471 1.00 0.00 C ATOM 0 H LEU A 22 10.564 -10.073 -4.832 1.00 0.00 H new ATOM 0 HA LEU A 22 9.442 -12.670 -4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.182 -11.669 -6.242 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.347 -12.053 -4.990 1.00 0.00 H new ATOM 0 HG LEU A 22 11.305 -14.454 -5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.494 -15.061 -7.348 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.416 -13.901 -6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.519 -13.345 -7.818 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.929 -15.077 -6.844 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.113 -13.362 -7.281 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.612 -13.928 -5.669 1.00 0.00 H new ATOM 357 N ARG A 23 11.645 -11.888 -2.336 1.00 0.00 N ATOM 358 CA ARG A 23 12.118 -12.252 -1.012 1.00 0.00 C ATOM 359 C ARG A 23 11.118 -11.795 0.053 1.00 0.00 C ATOM 360 O ARG A 23 11.033 -12.390 1.126 1.00 0.00 O ATOM 361 CB ARG A 23 13.483 -11.624 -0.722 1.00 0.00 C ATOM 362 CG ARG A 23 13.369 -10.104 -0.588 1.00 0.00 C ATOM 363 CD ARG A 23 14.657 -9.506 -0.018 1.00 0.00 C ATOM 364 NE ARG A 23 15.170 -8.453 -0.922 1.00 0.00 N ATOM 365 CZ ARG A 23 15.991 -8.687 -1.968 1.00 0.00 C ATOM 366 NH1 ARG A 23 16.401 -9.942 -2.250 1.00 0.00 N ATOM 367 NH2 ARG A 23 16.388 -7.670 -2.710 1.00 0.00 N ATOM 0 H ARG A 23 12.091 -11.063 -2.736 1.00 0.00 H new ATOM 0 HA ARG A 23 12.216 -13.337 -0.982 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.893 -12.044 0.196 1.00 0.00 H new ATOM 0 HB3 ARG A 23 14.179 -11.871 -1.524 1.00 0.00 H new ATOM 0 HG2 ARG A 23 13.160 -9.664 -1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 23 12.530 -9.854 0.061 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.467 -9.087 0.970 1.00 0.00 H new ATOM 0 HD3 ARG A 23 15.407 -10.287 0.106 1.00 0.00 H new ATOM 0 HE ARG A 23 14.886 -7.490 -0.744 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.090 -10.722 -1.671 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.021 -10.110 -3.042 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.075 -6.725 -2.489 1.00 0.00 H new ATOM 0 HH22 ARG A 23 17.008 -7.829 -3.504 1.00 0.00 H new ATOM 381 N LYS A 24 10.386 -10.742 -0.281 1.00 0.00 N ATOM 382 CA LYS A 24 9.396 -10.199 0.633 1.00 0.00 C ATOM 383 C LYS A 24 8.389 -11.293 0.996 1.00 0.00 C ATOM 384 O LYS A 24 8.061 -11.475 2.167 1.00 0.00 O ATOM 385 CB LYS A 24 8.753 -8.943 0.041 1.00 0.00 C ATOM 386 CG LYS A 24 8.151 -8.065 1.141 1.00 0.00 C ATOM 387 CD LYS A 24 8.881 -6.724 1.232 1.00 0.00 C ATOM 388 CE LYS A 24 10.209 -6.871 1.977 1.00 0.00 C ATOM 389 NZ LYS A 24 11.309 -6.253 1.204 1.00 0.00 N ATOM 0 H LYS A 24 10.459 -10.251 -1.172 1.00 0.00 H new ATOM 0 HA LYS A 24 9.869 -9.880 1.562 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.499 -8.375 -0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.976 -9.228 -0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.094 -7.895 0.938 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.212 -8.582 2.099 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.063 -6.337 0.230 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.251 -5.997 1.745 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.137 -6.400 2.957 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.423 -7.926 2.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.203 -6.362 1.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.388 -6.720 0.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.110 -5.242 1.065 1.00 0.00 H new ATOM 403 N THR A 25 7.927 -11.991 -0.031 1.00 0.00 N ATOM 404 CA THR A 25 6.964 -13.062 0.166 1.00 0.00 C ATOM 405 C THR A 25 7.480 -14.059 1.205 1.00 0.00 C ATOM 406 O THR A 25 8.504 -13.822 1.843 1.00 0.00 O ATOM 407 CB THR A 25 6.679 -13.697 -1.197 1.00 0.00 C ATOM 408 OG1 THR A 25 7.953 -14.158 -1.638 1.00 0.00 O ATOM 409 CG2 THR A 25 6.271 -12.665 -2.250 1.00 0.00 C ATOM 0 H THR A 25 8.201 -11.836 -1.001 1.00 0.00 H new ATOM 0 HA THR A 25 6.025 -12.681 0.567 1.00 0.00 H new ATOM 0 HB THR A 25 5.889 -14.441 -1.093 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.388 -13.458 -2.168 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.080 -13.168 -3.198 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.367 -12.151 -1.924 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.075 -11.940 -2.379 1.00 0.00 H new ATOM 417 N ARG A 26 6.747 -15.154 1.342 1.00 0.00 N ATOM 418 CA ARG A 26 7.117 -16.189 2.293 1.00 0.00 C ATOM 419 C ARG A 26 6.260 -17.438 2.079 1.00 0.00 C ATOM 420 O ARG A 26 6.660 -18.354 1.362 1.00 0.00 O ATOM 421 CB ARG A 26 6.945 -15.701 3.732 1.00 0.00 C ATOM 422 CG ARG A 26 8.296 -15.342 4.355 1.00 0.00 C ATOM 423 CD ARG A 26 8.183 -14.090 5.227 1.00 0.00 C ATOM 424 NE ARG A 26 9.532 -13.596 5.581 1.00 0.00 N ATOM 425 CZ ARG A 26 9.770 -12.412 6.184 1.00 0.00 C ATOM 426 NH1 ARG A 26 8.750 -11.589 6.507 1.00 0.00 N ATOM 427 NH2 ARG A 26 11.017 -12.070 6.455 1.00 0.00 N ATOM 0 H ARG A 26 5.898 -15.347 0.810 1.00 0.00 H new ATOM 0 HA ARG A 26 8.166 -16.432 2.127 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.290 -14.830 3.748 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.461 -16.475 4.327 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.656 -16.177 4.956 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.031 -15.176 3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.631 -13.315 4.695 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.621 -14.317 6.133 1.00 0.00 H new ATOM 0 HE ARG A 26 10.332 -14.187 5.355 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.790 -11.860 6.296 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.940 -10.696 6.963 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.783 -12.697 6.209 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.214 -11.179 6.910 1.00 0.00 H new ATOM 441 N GLU A 27 5.097 -17.434 2.714 1.00 0.00 N ATOM 442 CA GLU A 27 4.180 -18.556 2.602 1.00 0.00 C ATOM 443 C GLU A 27 2.920 -18.295 3.430 1.00 0.00 C ATOM 444 O GLU A 27 1.819 -18.665 3.025 1.00 0.00 O ATOM 445 CB GLU A 27 4.856 -19.861 3.028 1.00 0.00 C ATOM 446 CG GLU A 27 5.790 -19.632 4.217 1.00 0.00 C ATOM 447 CD GLU A 27 6.379 -20.954 4.714 1.00 0.00 C ATOM 448 OE1 GLU A 27 5.516 -21.889 4.929 1.00 0.00 O ATOM 449 OE2 GLU A 27 7.603 -21.064 4.881 1.00 0.00 O ATOM 0 H GLU A 27 4.769 -16.672 3.307 1.00 0.00 H new ATOM 0 HA GLU A 27 3.889 -18.661 1.557 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.098 -20.598 3.293 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.421 -20.272 2.191 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.595 -18.957 3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.243 -19.147 5.025 1.00 0.00 H new ATOM 456 N SER A 28 3.124 -17.661 4.575 1.00 0.00 N ATOM 457 CA SER A 28 2.018 -17.347 5.464 1.00 0.00 C ATOM 458 C SER A 28 0.797 -16.917 4.648 1.00 0.00 C ATOM 459 O SER A 28 0.933 -16.465 3.512 1.00 0.00 O ATOM 460 CB SER A 28 2.404 -16.250 6.458 1.00 0.00 C ATOM 461 OG SER A 28 2.235 -16.671 7.809 1.00 0.00 O ATOM 0 H SER A 28 4.039 -17.356 4.908 1.00 0.00 H new ATOM 0 HA SER A 28 1.771 -18.244 6.032 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.443 -15.962 6.295 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.795 -15.364 6.275 1.00 0.00 H new ATOM 0 HG SER A 28 2.493 -15.944 8.413 1.00 0.00 H new ATOM 467 N PRO A 29 -0.399 -17.076 5.276 1.00 0.00 N ATOM 468 CA PRO A 29 -1.643 -16.710 4.621 1.00 0.00 C ATOM 469 C PRO A 29 -1.821 -15.190 4.593 1.00 0.00 C ATOM 470 O PRO A 29 -0.986 -14.454 5.115 1.00 0.00 O ATOM 471 CB PRO A 29 -2.729 -17.420 5.412 1.00 0.00 C ATOM 472 CG PRO A 29 -2.103 -17.778 6.750 1.00 0.00 C ATOM 473 CD PRO A 29 -0.598 -17.607 6.621 1.00 0.00 C ATOM 0 HA PRO A 29 -1.671 -17.011 3.574 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -3.598 -16.776 5.547 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -3.072 -18.313 4.890 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.494 -17.135 7.539 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.349 -18.804 7.024 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.211 -16.924 7.377 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.079 -18.556 6.753 1.00 0.00 H new ATOM 481 N LEU A 30 -2.915 -14.766 3.977 1.00 0.00 N ATOM 482 CA LEU A 30 -3.214 -13.348 3.874 1.00 0.00 C ATOM 483 C LEU A 30 -4.189 -12.954 4.985 1.00 0.00 C ATOM 484 O LEU A 30 -4.308 -11.778 5.324 1.00 0.00 O ATOM 485 CB LEU A 30 -3.711 -13.006 2.469 1.00 0.00 C ATOM 486 CG LEU A 30 -2.631 -12.820 1.401 1.00 0.00 C ATOM 487 CD1 LEU A 30 -2.978 -13.596 0.129 1.00 0.00 C ATOM 488 CD2 LEU A 30 -2.388 -11.336 1.119 1.00 0.00 C ATOM 0 H LEU A 30 -3.605 -15.380 3.544 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.310 -12.757 4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.385 -13.797 2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.299 -12.090 2.526 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.697 -13.232 1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.194 -13.447 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.060 -14.658 0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.927 -13.237 -0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.616 -11.232 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.311 -10.877 0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.063 -10.840 2.034 1.00 0.00 H new ATOM 500 N VAL A 31 -4.864 -13.961 5.521 1.00 0.00 N ATOM 501 CA VAL A 31 -5.825 -13.735 6.586 1.00 0.00 C ATOM 502 C VAL A 31 -5.198 -12.834 7.651 1.00 0.00 C ATOM 503 O VAL A 31 -5.794 -11.839 8.058 1.00 0.00 O ATOM 504 CB VAL A 31 -6.311 -15.074 7.146 1.00 0.00 C ATOM 505 CG1 VAL A 31 -6.403 -15.029 8.672 1.00 0.00 C ATOM 506 CG2 VAL A 31 -7.652 -15.473 6.526 1.00 0.00 C ATOM 0 H VAL A 31 -4.764 -14.935 5.237 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.705 -13.220 6.202 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.579 -15.835 6.878 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.751 -15.993 9.044 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.420 -14.812 9.090 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.104 -14.250 8.971 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.975 -16.428 6.941 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.397 -14.710 6.749 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.540 -15.566 5.446 1.00 0.00 H new ATOM 516 N PRO A 32 -3.970 -13.227 8.085 1.00 0.00 N ATOM 517 CA PRO A 32 -3.254 -12.466 9.095 1.00 0.00 C ATOM 518 C PRO A 32 -2.673 -11.180 8.504 1.00 0.00 C ATOM 519 O PRO A 32 -3.182 -10.090 8.759 1.00 0.00 O ATOM 520 CB PRO A 32 -2.188 -13.414 9.620 1.00 0.00 C ATOM 521 CG PRO A 32 -2.043 -14.501 8.568 1.00 0.00 C ATOM 522 CD PRO A 32 -3.232 -14.400 7.626 1.00 0.00 C ATOM 0 HA PRO A 32 -3.901 -12.129 9.905 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.244 -12.892 9.775 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.480 -13.837 10.581 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.109 -14.379 8.019 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.010 -15.484 9.037 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.909 -14.285 6.591 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.849 -15.298 7.669 1.00 0.00 H new ATOM 530 N ILE A 33 -1.614 -11.350 7.726 1.00 0.00 N ATOM 531 CA ILE A 33 -0.958 -10.217 7.096 1.00 0.00 C ATOM 532 C ILE A 33 -2.017 -9.216 6.628 1.00 0.00 C ATOM 533 O ILE A 33 -1.889 -8.016 6.864 1.00 0.00 O ATOM 534 CB ILE A 33 -0.023 -10.690 5.981 1.00 0.00 C ATOM 535 CG1 ILE A 33 1.152 -11.487 6.552 1.00 0.00 C ATOM 536 CG2 ILE A 33 0.445 -9.514 5.122 1.00 0.00 C ATOM 537 CD1 ILE A 33 1.714 -12.457 5.512 1.00 0.00 C ATOM 0 H ILE A 33 -1.194 -12.256 7.518 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.322 -9.698 7.813 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.581 -11.362 5.329 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.936 -10.803 6.877 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.827 -12.041 7.433 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.108 -9.878 4.337 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.419 -9.027 4.670 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.980 -8.798 5.746 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.548 -13.011 5.944 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.934 -13.155 5.207 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.061 -11.898 4.643 1.00 0.00 H new ATOM 549 N GLY A 34 -3.038 -9.747 5.972 1.00 0.00 N ATOM 550 CA GLY A 34 -4.118 -8.916 5.468 1.00 0.00 C ATOM 551 C GLY A 34 -4.819 -8.176 6.610 1.00 0.00 C ATOM 552 O GLY A 34 -4.830 -6.947 6.643 1.00 0.00 O ATOM 0 H GLY A 34 -3.140 -10.743 5.778 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.723 -8.196 4.751 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.839 -9.535 4.934 1.00 0.00 H new ATOM 556 N LEU A 35 -5.387 -8.957 7.517 1.00 0.00 N ATOM 557 CA LEU A 35 -6.089 -8.392 8.657 1.00 0.00 C ATOM 558 C LEU A 35 -5.301 -7.195 9.193 1.00 0.00 C ATOM 559 O LEU A 35 -5.816 -6.079 9.240 1.00 0.00 O ATOM 560 CB LEU A 35 -6.359 -9.470 9.708 1.00 0.00 C ATOM 561 CG LEU A 35 -7.197 -9.037 10.913 1.00 0.00 C ATOM 562 CD1 LEU A 35 -8.690 -9.218 10.636 1.00 0.00 C ATOM 563 CD2 LEU A 35 -6.755 -9.773 12.180 1.00 0.00 C ATOM 0 H LEU A 35 -5.375 -9.976 7.486 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.069 -8.021 8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.863 -10.305 9.222 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.401 -9.843 10.072 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.028 -7.974 11.083 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.263 -8.903 11.508 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.976 -8.613 9.776 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.897 -10.267 10.426 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.366 -9.447 13.022 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.876 -10.847 12.038 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.708 -9.550 12.384 1.00 0.00 H new ATOM 575 N GLY A 36 -4.064 -7.468 9.583 1.00 0.00 N ATOM 576 CA GLY A 36 -3.200 -6.427 10.114 1.00 0.00 C ATOM 577 C GLY A 36 -3.227 -5.185 9.222 1.00 0.00 C ATOM 578 O GLY A 36 -3.605 -4.103 9.670 1.00 0.00 O ATOM 0 H GLY A 36 -3.640 -8.395 9.542 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.520 -6.162 11.122 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.179 -6.801 10.192 1.00 0.00 H new ATOM 582 N GLY A 37 -2.821 -5.381 7.976 1.00 0.00 N ATOM 583 CA GLY A 37 -2.794 -4.289 7.017 1.00 0.00 C ATOM 584 C GLY A 37 -4.172 -3.636 6.891 1.00 0.00 C ATOM 585 O GLY A 37 -4.285 -2.502 6.428 1.00 0.00 O ATOM 0 H GLY A 37 -2.508 -6.279 7.608 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.062 -3.544 7.329 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.474 -4.662 6.044 1.00 0.00 H new ATOM 589 N CYS A 38 -5.185 -4.380 7.310 1.00 0.00 N ATOM 590 CA CYS A 38 -6.551 -3.888 7.250 1.00 0.00 C ATOM 591 C CYS A 38 -6.746 -2.873 8.378 1.00 0.00 C ATOM 592 O CYS A 38 -7.301 -1.797 8.161 1.00 0.00 O ATOM 593 CB CYS A 38 -7.567 -5.028 7.326 1.00 0.00 C ATOM 594 SG CYS A 38 -8.666 -4.987 5.863 1.00 0.00 S ATOM 0 H CYS A 38 -5.087 -5.320 7.693 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.723 -3.400 6.290 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.048 -5.985 7.375 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.158 -4.939 8.238 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.524 -5.961 5.937 1.00 0.00 H new ATOM 600 N LEU A 39 -6.278 -3.251 9.558 1.00 0.00 N ATOM 601 CA LEU A 39 -6.395 -2.387 10.721 1.00 0.00 C ATOM 602 C LEU A 39 -5.607 -1.099 10.475 1.00 0.00 C ATOM 603 O LEU A 39 -6.066 -0.011 10.819 1.00 0.00 O ATOM 604 CB LEU A 39 -5.972 -3.134 11.988 1.00 0.00 C ATOM 605 CG LEU A 39 -5.616 -2.262 13.193 1.00 0.00 C ATOM 606 CD1 LEU A 39 -6.867 -1.896 13.994 1.00 0.00 C ATOM 607 CD2 LEU A 39 -4.555 -2.938 14.065 1.00 0.00 C ATOM 0 H LEU A 39 -5.817 -4.144 9.734 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.435 -2.100 10.880 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.780 -3.806 12.277 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.110 -3.757 11.748 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.185 -1.331 12.825 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.586 -1.276 14.845 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.559 -1.345 13.357 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.349 -2.806 14.352 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.320 -2.297 14.915 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.935 -3.894 14.426 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.653 -3.105 13.476 1.00 0.00 H new ATOM 619 N VAL A 40 -4.434 -1.265 9.881 1.00 0.00 N ATOM 620 CA VAL A 40 -3.578 -0.129 9.584 1.00 0.00 C ATOM 621 C VAL A 40 -4.237 0.732 8.505 1.00 0.00 C ATOM 622 O VAL A 40 -4.499 1.914 8.723 1.00 0.00 O ATOM 623 CB VAL A 40 -2.181 -0.615 9.192 1.00 0.00 C ATOM 624 CG1 VAL A 40 -1.340 0.533 8.629 1.00 0.00 C ATOM 625 CG2 VAL A 40 -1.479 -1.280 10.377 1.00 0.00 C ATOM 0 H VAL A 40 -4.056 -2.169 9.597 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.453 0.497 10.468 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.294 -1.364 8.408 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.352 0.161 8.358 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.829 0.942 7.745 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.240 1.314 9.383 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.488 -1.616 10.071 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.383 -0.563 11.192 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.065 -2.136 10.713 1.00 0.00 H new ATOM 635 N VAL A 41 -4.485 0.107 7.364 1.00 0.00 N ATOM 636 CA VAL A 41 -5.108 0.802 6.250 1.00 0.00 C ATOM 637 C VAL A 41 -6.397 1.472 6.729 1.00 0.00 C ATOM 638 O VAL A 41 -6.467 2.697 6.818 1.00 0.00 O ATOM 639 CB VAL A 41 -5.334 -0.169 5.089 1.00 0.00 C ATOM 640 CG1 VAL A 41 -6.386 0.373 4.119 1.00 0.00 C ATOM 641 CG2 VAL A 41 -4.022 -0.470 4.362 1.00 0.00 C ATOM 0 H VAL A 41 -4.266 -0.873 7.186 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.453 1.589 5.876 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.709 -1.105 5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.528 -0.336 3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.330 0.513 4.647 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.051 1.328 3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.211 -1.162 3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.604 0.456 3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.314 -0.918 5.059 1.00 0.00 H new ATOM 651 N ALA A 42 -7.384 0.640 7.025 1.00 0.00 N ATOM 652 CA ALA A 42 -8.667 1.137 7.492 1.00 0.00 C ATOM 653 C ALA A 42 -8.436 2.296 8.464 1.00 0.00 C ATOM 654 O ALA A 42 -8.992 3.379 8.287 1.00 0.00 O ATOM 655 CB ALA A 42 -9.457 -0.009 8.128 1.00 0.00 C ATOM 0 H ALA A 42 -7.321 -0.375 6.951 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.258 1.518 6.659 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.420 0.363 8.479 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.619 -0.794 7.389 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.896 -0.414 8.970 1.00 0.00 H new ATOM 661 N ALA A 43 -7.616 2.029 9.470 1.00 0.00 N ATOM 662 CA ALA A 43 -7.305 3.036 10.470 1.00 0.00 C ATOM 663 C ALA A 43 -6.967 4.354 9.771 1.00 0.00 C ATOM 664 O ALA A 43 -7.655 5.356 9.962 1.00 0.00 O ATOM 665 CB ALA A 43 -6.164 2.538 11.359 1.00 0.00 C ATOM 0 H ALA A 43 -7.157 1.129 9.614 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.165 3.215 11.115 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.931 3.294 12.109 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.465 1.615 11.855 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.282 2.350 10.747 1.00 0.00 H new ATOM 671 N TYR A 44 -5.908 4.312 8.977 1.00 0.00 N ATOM 672 CA TYR A 44 -5.470 5.491 8.249 1.00 0.00 C ATOM 673 C TYR A 44 -6.619 6.092 7.437 1.00 0.00 C ATOM 674 O TYR A 44 -6.671 7.303 7.230 1.00 0.00 O ATOM 675 CB TYR A 44 -4.379 5.013 7.289 1.00 0.00 C ATOM 676 CG TYR A 44 -4.186 5.914 6.068 1.00 0.00 C ATOM 677 CD1 TYR A 44 -4.176 7.286 6.217 1.00 0.00 C ATOM 678 CD2 TYR A 44 -4.023 5.355 4.817 1.00 0.00 C ATOM 679 CE1 TYR A 44 -3.995 8.134 5.067 1.00 0.00 C ATOM 680 CE2 TYR A 44 -3.842 6.202 3.667 1.00 0.00 C ATOM 681 CZ TYR A 44 -3.837 7.550 3.849 1.00 0.00 C ATOM 682 OH TYR A 44 -3.666 8.351 2.763 1.00 0.00 O ATOM 0 H TYR A 44 -5.340 3.479 8.821 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.114 6.257 8.938 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.436 4.947 7.831 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.623 4.006 6.950 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.304 7.724 7.196 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.031 4.281 4.700 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.985 9.209 5.170 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.713 5.777 2.683 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.565 7.797 1.961 1.00 0.00 H new ATOM 692 N ARG A 45 -7.513 5.217 6.999 1.00 0.00 N ATOM 693 CA ARG A 45 -8.658 5.645 6.214 1.00 0.00 C ATOM 694 C ARG A 45 -9.594 6.505 7.066 1.00 0.00 C ATOM 695 O ARG A 45 -9.770 7.692 6.797 1.00 0.00 O ATOM 696 CB ARG A 45 -9.433 4.444 5.670 1.00 0.00 C ATOM 697 CG ARG A 45 -9.642 4.565 4.159 1.00 0.00 C ATOM 698 CD ARG A 45 -10.462 3.390 3.622 1.00 0.00 C ATOM 699 NE ARG A 45 -10.245 3.244 2.166 1.00 0.00 N ATOM 700 CZ ARG A 45 -10.804 2.275 1.410 1.00 0.00 C ATOM 701 NH1 ARG A 45 -11.620 1.356 1.969 1.00 0.00 N ATOM 702 NH2 ARG A 45 -10.540 2.239 0.117 1.00 0.00 N ATOM 0 H ARG A 45 -7.467 4.213 7.173 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.284 6.231 5.375 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.891 3.525 5.893 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.399 4.373 6.170 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.151 5.502 3.933 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.675 4.598 3.656 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.175 2.472 4.134 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.521 3.552 3.826 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.634 3.918 1.704 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.818 1.391 2.969 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.039 0.627 1.391 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.922 2.937 -0.297 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.954 1.513 -0.468 1.00 0.00 H new ATOM 716 N ILE A 46 -10.170 5.871 8.078 1.00 0.00 N ATOM 717 CA ILE A 46 -11.083 6.562 8.971 1.00 0.00 C ATOM 718 C ILE A 46 -10.436 7.863 9.449 1.00 0.00 C ATOM 719 O ILE A 46 -11.128 8.846 9.710 1.00 0.00 O ATOM 720 CB ILE A 46 -11.520 5.639 10.110 1.00 0.00 C ATOM 721 CG1 ILE A 46 -10.308 5.074 10.854 1.00 0.00 C ATOM 722 CG2 ILE A 46 -12.443 4.532 9.595 1.00 0.00 C ATOM 723 CD1 ILE A 46 -10.745 4.245 12.063 1.00 0.00 C ATOM 0 H ILE A 46 -10.021 4.886 8.298 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.997 6.835 8.444 1.00 0.00 H new ATOM 0 HB ILE A 46 -12.092 6.228 10.827 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.718 4.455 10.178 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.665 5.891 11.182 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.739 3.890 10.425 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -13.331 4.978 9.146 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.917 3.939 8.847 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.865 3.855 12.574 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.314 4.873 12.748 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -11.368 3.415 11.729 1.00 0.00 H new ATOM 735 N TYR A 47 -9.115 7.828 9.548 1.00 0.00 N ATOM 736 CA TYR A 47 -8.366 8.992 9.990 1.00 0.00 C ATOM 737 C TYR A 47 -8.493 10.139 8.985 1.00 0.00 C ATOM 738 O TYR A 47 -8.957 11.225 9.332 1.00 0.00 O ATOM 739 CB TYR A 47 -6.903 8.551 10.059 1.00 0.00 C ATOM 740 CG TYR A 47 -6.106 9.215 11.184 1.00 0.00 C ATOM 741 CD1 TYR A 47 -5.727 10.537 11.075 1.00 0.00 C ATOM 742 CD2 TYR A 47 -5.766 8.490 12.309 1.00 0.00 C ATOM 743 CE1 TYR A 47 -4.977 11.161 12.134 1.00 0.00 C ATOM 744 CE2 TYR A 47 -5.016 9.114 13.368 1.00 0.00 C ATOM 745 CZ TYR A 47 -4.658 10.419 13.228 1.00 0.00 C ATOM 746 OH TYR A 47 -3.950 11.009 14.228 1.00 0.00 O ATOM 0 H TYR A 47 -8.544 7.011 9.330 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.741 9.348 10.949 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.866 7.470 10.190 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.422 8.773 9.107 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.993 11.104 10.195 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.063 7.455 12.395 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.675 12.195 12.061 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.744 8.559 14.253 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.795 10.360 14.946 1.00 0.00 H new ATOM 756 N ARG A 48 -8.074 9.860 7.760 1.00 0.00 N ATOM 757 CA ARG A 48 -8.135 10.855 6.703 1.00 0.00 C ATOM 758 C ARG A 48 -9.572 11.349 6.522 1.00 0.00 C ATOM 759 O ARG A 48 -9.811 12.552 6.429 1.00 0.00 O ATOM 760 CB ARG A 48 -7.629 10.282 5.377 1.00 0.00 C ATOM 761 CG ARG A 48 -7.635 11.349 4.281 1.00 0.00 C ATOM 762 CD ARG A 48 -7.812 10.714 2.900 1.00 0.00 C ATOM 763 NE ARG A 48 -9.143 10.076 2.803 1.00 0.00 N ATOM 764 CZ ARG A 48 -9.656 9.564 1.664 1.00 0.00 C ATOM 765 NH1 ARG A 48 -8.952 9.612 0.513 1.00 0.00 N ATOM 766 NH2 ARG A 48 -10.857 9.016 1.692 1.00 0.00 N ATOM 0 H ARG A 48 -7.691 8.959 7.475 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.494 11.688 6.994 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -6.619 9.894 5.506 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.256 9.443 5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.441 12.060 4.465 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.701 11.911 4.310 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.706 11.473 2.125 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.031 9.973 2.729 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.709 10.019 3.650 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.025 10.037 0.499 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.347 9.223 -0.343 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.383 8.984 2.565 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -11.259 8.625 0.840 1.00 0.00 H new ATOM 780 N LEU A 49 -10.490 10.395 6.477 1.00 0.00 N ATOM 781 CA LEU A 49 -11.897 10.719 6.308 1.00 0.00 C ATOM 782 C LEU A 49 -12.328 11.691 7.409 1.00 0.00 C ATOM 783 O LEU A 49 -12.900 12.742 7.124 1.00 0.00 O ATOM 784 CB LEU A 49 -12.737 9.442 6.252 1.00 0.00 C ATOM 785 CG LEU A 49 -14.228 9.606 6.556 1.00 0.00 C ATOM 786 CD1 LEU A 49 -14.955 10.276 5.388 1.00 0.00 C ATOM 787 CD2 LEU A 49 -14.862 8.265 6.932 1.00 0.00 C ATOM 0 H LEU A 49 -10.288 9.398 6.555 1.00 0.00 H new ATOM 0 HA LEU A 49 -12.060 11.223 5.355 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.635 9.007 5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -12.319 8.725 6.958 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.330 10.264 7.419 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -16.013 10.381 5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -14.525 11.261 5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -14.846 9.664 4.493 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.922 8.410 7.143 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -14.749 7.565 6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.367 7.864 7.817 1.00 0.00 H new ATOM 799 N ARG A 50 -12.036 11.305 8.642 1.00 0.00 N ATOM 800 CA ARG A 50 -12.386 12.129 9.786 1.00 0.00 C ATOM 801 C ARG A 50 -11.417 13.307 9.909 1.00 0.00 C ATOM 802 O ARG A 50 -10.386 13.339 9.239 1.00 0.00 O ATOM 803 CB ARG A 50 -12.355 11.315 11.082 1.00 0.00 C ATOM 804 CG ARG A 50 -13.389 11.836 12.082 1.00 0.00 C ATOM 805 CD ARG A 50 -13.843 10.725 13.030 1.00 0.00 C ATOM 806 NE ARG A 50 -12.761 10.403 13.988 1.00 0.00 N ATOM 807 CZ ARG A 50 -12.959 9.797 15.178 1.00 0.00 C ATOM 808 NH1 ARG A 50 -14.202 9.440 15.566 1.00 0.00 N ATOM 809 NH2 ARG A 50 -11.919 9.558 15.955 1.00 0.00 N ATOM 0 H ARG A 50 -11.561 10.433 8.874 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.398 12.502 9.628 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.553 10.266 10.862 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.360 11.365 11.523 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.962 12.658 12.657 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.250 12.236 11.546 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.736 11.039 13.570 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.111 9.836 12.459 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.806 10.655 13.733 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.000 9.628 14.958 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.343 8.982 16.467 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.984 9.830 15.653 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.051 9.101 16.857 1.00 0.00 H new ATOM 1045 N ARG A 65 4.232 13.386 6.999 1.00 0.00 N ATOM 1046 CA ARG A 65 5.077 12.269 7.389 1.00 0.00 C ATOM 1047 C ARG A 65 4.252 10.984 7.474 1.00 0.00 C ATOM 1048 O ARG A 65 4.455 10.058 6.690 1.00 0.00 O ATOM 1049 CB ARG A 65 5.744 12.529 8.741 1.00 0.00 C ATOM 1050 CG ARG A 65 7.268 12.546 8.606 1.00 0.00 C ATOM 1051 CD ARG A 65 7.902 11.409 9.410 1.00 0.00 C ATOM 1052 NE ARG A 65 9.014 11.932 10.235 1.00 0.00 N ATOM 1053 CZ ARG A 65 10.107 12.544 9.733 1.00 0.00 C ATOM 1054 NH1 ARG A 65 10.245 12.715 8.401 1.00 0.00 N ATOM 1055 NH2 ARG A 65 11.039 12.972 10.563 1.00 0.00 N ATOM 0 HA ARG A 65 5.851 12.158 6.630 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.400 13.482 9.143 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.447 11.758 9.452 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.545 12.452 7.556 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.657 13.503 8.954 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.152 10.942 10.049 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.271 10.637 8.735 1.00 0.00 H new ATOM 0 HE ARG A 65 8.950 11.823 11.247 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.520 12.381 7.766 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.074 13.179 8.030 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.927 12.838 11.568 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.871 13.437 10.200 1.00 0.00 H new ATOM 1069 N VAL A 66 3.337 10.968 8.432 1.00 0.00 N ATOM 1070 CA VAL A 66 2.480 9.811 8.630 1.00 0.00 C ATOM 1071 C VAL A 66 1.441 9.754 7.508 1.00 0.00 C ATOM 1072 O VAL A 66 1.022 8.672 7.099 1.00 0.00 O ATOM 1073 CB VAL A 66 1.853 9.857 10.025 1.00 0.00 C ATOM 1074 CG1 VAL A 66 1.085 11.163 10.238 1.00 0.00 C ATOM 1075 CG2 VAL A 66 0.948 8.645 10.259 1.00 0.00 C ATOM 0 H VAL A 66 3.170 11.738 9.080 1.00 0.00 H new ATOM 0 HA VAL A 66 3.062 8.891 8.581 1.00 0.00 H new ATOM 0 HB VAL A 66 2.660 9.820 10.757 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.649 11.170 11.237 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.767 12.007 10.133 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.291 11.244 9.495 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.515 8.702 11.258 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.150 8.638 9.517 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.534 7.730 10.169 1.00 0.00 H new ATOM 1085 N ALA A 67 1.054 10.933 7.043 1.00 0.00 N ATOM 1086 CA ALA A 67 0.072 11.031 5.977 1.00 0.00 C ATOM 1087 C ALA A 67 0.707 10.578 4.661 1.00 0.00 C ATOM 1088 O ALA A 67 0.140 9.754 3.945 1.00 0.00 O ATOM 1089 CB ALA A 67 -0.462 12.463 5.904 1.00 0.00 C ATOM 0 H ALA A 67 1.403 11.828 7.385 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.777 10.377 6.176 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.199 12.536 5.104 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.929 12.726 6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.361 13.149 5.703 1.00 0.00 H new ATOM 1095 N ALA A 68 1.876 11.136 4.382 1.00 0.00 N ATOM 1096 CA ALA A 68 2.594 10.800 3.165 1.00 0.00 C ATOM 1097 C ALA A 68 2.939 9.309 3.176 1.00 0.00 C ATOM 1098 O ALA A 68 2.861 8.642 2.145 1.00 0.00 O ATOM 1099 CB ALA A 68 3.837 11.684 3.044 1.00 0.00 C ATOM 0 H ALA A 68 2.344 11.819 4.978 1.00 0.00 H new ATOM 0 HA ALA A 68 1.973 10.989 2.289 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.376 11.431 2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.537 12.731 3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.485 11.520 3.905 1.00 0.00 H new ATOM 1105 N GLN A 69 3.313 8.830 4.353 1.00 0.00 N ATOM 1106 CA GLN A 69 3.670 7.430 4.513 1.00 0.00 C ATOM 1107 C GLN A 69 2.453 6.539 4.252 1.00 0.00 C ATOM 1108 O GLN A 69 2.556 5.530 3.557 1.00 0.00 O ATOM 1109 CB GLN A 69 4.254 7.168 5.902 1.00 0.00 C ATOM 1110 CG GLN A 69 5.784 7.186 5.866 1.00 0.00 C ATOM 1111 CD GLN A 69 6.365 6.018 6.666 1.00 0.00 C ATOM 1112 OE1 GLN A 69 5.849 5.622 7.698 1.00 0.00 O ATOM 1113 NE2 GLN A 69 7.464 5.492 6.134 1.00 0.00 N ATOM 0 H GLN A 69 3.377 9.386 5.206 1.00 0.00 H new ATOM 0 HA GLN A 69 4.439 7.185 3.780 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.894 7.924 6.600 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.907 6.203 6.270 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.128 7.131 4.833 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.150 8.128 6.274 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.843 5.872 5.267 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.928 4.708 6.593 1.00 0.00 H new ATOM 1122 N ALA A 70 1.329 6.945 4.825 1.00 0.00 N ATOM 1123 CA ALA A 70 0.095 6.196 4.663 1.00 0.00 C ATOM 1124 C ALA A 70 -0.343 6.252 3.198 1.00 0.00 C ATOM 1125 O ALA A 70 -0.997 5.334 2.706 1.00 0.00 O ATOM 1126 CB ALA A 70 -0.969 6.754 5.611 1.00 0.00 C ATOM 0 H ALA A 70 1.248 7.782 5.402 1.00 0.00 H new ATOM 0 HA ALA A 70 0.246 5.148 4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.895 6.192 5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.622 6.664 6.640 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.148 7.804 5.379 1.00 0.00 H new ATOM 1132 N CYS A 71 0.036 7.339 2.542 1.00 0.00 N ATOM 1133 CA CYS A 71 -0.310 7.527 1.143 1.00 0.00 C ATOM 1134 C CYS A 71 0.478 6.512 0.313 1.00 0.00 C ATOM 1135 O CYS A 71 -0.108 5.690 -0.389 1.00 0.00 O ATOM 1136 CB CYS A 71 -0.050 8.964 0.684 1.00 0.00 C ATOM 1137 SG CYS A 71 -1.627 9.887 0.593 1.00 0.00 S ATOM 0 H CYS A 71 0.579 8.098 2.953 1.00 0.00 H new ATOM 0 HA CYS A 71 -1.378 7.358 1.004 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.631 9.458 1.377 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.436 8.961 -0.292 1.00 0.00 H new ATOM 0 HG CYS A 71 -2.489 9.355 1.408 1.00 0.00 H new ATOM 1143 N ALA A 72 1.796 6.602 0.421 1.00 0.00 N ATOM 1144 CA ALA A 72 2.670 5.701 -0.310 1.00 0.00 C ATOM 1145 C ALA A 72 2.374 4.259 0.106 1.00 0.00 C ATOM 1146 O ALA A 72 1.883 3.466 -0.695 1.00 0.00 O ATOM 1147 CB ALA A 72 4.129 6.092 -0.062 1.00 0.00 C ATOM 0 H ALA A 72 2.279 7.285 1.004 1.00 0.00 H new ATOM 0 HA ALA A 72 2.489 5.778 -1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.785 5.416 -0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.295 7.114 -0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.348 6.025 1.004 1.00 0.00 H new ATOM 1153 N VAL A 73 2.684 3.964 1.360 1.00 0.00 N ATOM 1154 CA VAL A 73 2.457 2.631 1.893 1.00 0.00 C ATOM 1155 C VAL A 73 1.044 2.174 1.526 1.00 0.00 C ATOM 1156 O VAL A 73 0.871 1.150 0.867 1.00 0.00 O ATOM 1157 CB VAL A 73 2.717 2.619 3.401 1.00 0.00 C ATOM 1158 CG1 VAL A 73 2.440 1.236 3.994 1.00 0.00 C ATOM 1159 CG2 VAL A 73 4.143 3.076 3.715 1.00 0.00 C ATOM 0 H VAL A 73 3.090 4.625 2.022 1.00 0.00 H new ATOM 0 HA VAL A 73 3.154 1.919 1.451 1.00 0.00 H new ATOM 0 HB VAL A 73 2.029 3.326 3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.633 1.255 5.067 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.399 0.966 3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.091 0.500 3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.302 3.058 4.793 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.854 2.406 3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.290 4.090 3.343 1.00 0.00 H new ATOM 1169 N GLY A 74 0.070 2.955 1.969 1.00 0.00 N ATOM 1170 CA GLY A 74 -1.322 2.643 1.696 1.00 0.00 C ATOM 1171 C GLY A 74 -1.517 2.241 0.232 1.00 0.00 C ATOM 1172 O GLY A 74 -2.208 1.267 -0.061 1.00 0.00 O ATOM 0 H GLY A 74 0.218 3.804 2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.651 1.833 2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.944 3.508 1.925 1.00 0.00 H new ATOM 1176 N ALA A 75 -0.895 3.012 -0.647 1.00 0.00 N ATOM 1177 CA ALA A 75 -0.991 2.749 -2.073 1.00 0.00 C ATOM 1178 C ALA A 75 -0.498 1.330 -2.360 1.00 0.00 C ATOM 1179 O ALA A 75 -1.222 0.522 -2.940 1.00 0.00 O ATOM 1180 CB ALA A 75 -0.199 3.808 -2.842 1.00 0.00 C ATOM 0 H ALA A 75 -0.322 3.819 -0.400 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.027 2.811 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.271 3.611 -3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.608 4.795 -2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.847 3.774 -2.536 1.00 0.00 H new ATOM 1186 N ILE A 76 0.731 1.069 -1.940 1.00 0.00 N ATOM 1187 CA ILE A 76 1.330 -0.240 -2.144 1.00 0.00 C ATOM 1188 C ILE A 76 0.440 -1.308 -1.505 1.00 0.00 C ATOM 1189 O ILE A 76 -0.187 -2.099 -2.206 1.00 0.00 O ATOM 1190 CB ILE A 76 2.772 -0.254 -1.635 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.612 0.816 -2.335 1.00 0.00 C ATOM 1192 CG2 ILE A 76 3.388 -1.648 -1.773 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.730 1.321 -1.420 1.00 0.00 C ATOM 0 H ILE A 76 1.329 1.741 -1.459 1.00 0.00 H new ATOM 0 HA ILE A 76 1.391 -0.471 -3.208 1.00 0.00 H new ATOM 0 HB ILE A 76 2.762 -0.010 -0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.042 0.406 -3.248 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.974 1.649 -2.630 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.414 -1.631 -1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.805 -2.362 -1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.385 -1.945 -2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.312 2.081 -1.942 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.295 1.753 -0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.380 0.490 -1.147 1.00 0.00 H new ATOM 1205 N MET A 77 0.415 -1.296 -0.180 1.00 0.00 N ATOM 1206 CA MET A 77 -0.386 -2.254 0.562 1.00 0.00 C ATOM 1207 C MET A 77 -1.732 -2.493 -0.127 1.00 0.00 C ATOM 1208 O MET A 77 -1.987 -3.582 -0.638 1.00 0.00 O ATOM 1209 CB MET A 77 -0.624 -1.732 1.980 1.00 0.00 C ATOM 1210 CG MET A 77 -0.502 -2.859 3.007 1.00 0.00 C ATOM 1211 SD MET A 77 0.862 -2.534 4.111 1.00 0.00 S ATOM 1212 CE MET A 77 1.306 -4.205 4.556 1.00 0.00 C ATOM 0 H MET A 77 0.937 -0.638 0.398 1.00 0.00 H new ATOM 0 HA MET A 77 0.155 -3.199 0.600 1.00 0.00 H new ATOM 0 HB2 MET A 77 0.097 -0.947 2.208 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.615 -1.282 2.044 1.00 0.00 H new ATOM 0 HG2 MET A 77 -1.428 -2.946 3.576 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.350 -3.811 2.498 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.149 -4.186 5.247 1.00 0.00 H new ATOM 0 HE2 MET A 77 0.456 -4.692 5.034 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.585 -4.759 3.659 1.00 0.00 H new ATOM 1222 N LEU A 78 -2.557 -1.457 -0.117 1.00 0.00 N ATOM 1223 CA LEU A 78 -3.870 -1.540 -0.735 1.00 0.00 C ATOM 1224 C LEU A 78 -3.752 -2.264 -2.077 1.00 0.00 C ATOM 1225 O LEU A 78 -4.318 -3.341 -2.257 1.00 0.00 O ATOM 1226 CB LEU A 78 -4.502 -0.151 -0.838 1.00 0.00 C ATOM 1227 CG LEU A 78 -6.024 -0.116 -0.993 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -6.587 1.242 -0.570 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -6.439 -0.490 -2.418 1.00 0.00 C ATOM 0 H LEU A 78 -2.342 -0.555 0.309 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.547 -2.127 -0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.234 0.415 0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.058 0.366 -1.689 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.452 -0.864 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.670 1.240 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.338 1.430 0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.154 2.025 -1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.525 -0.457 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.000 0.217 -3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.088 -1.496 -2.647 1.00 0.00 H new ATOM 1241 N GLY A 79 -3.014 -1.643 -2.986 1.00 0.00 N ATOM 1242 CA GLY A 79 -2.816 -2.215 -4.306 1.00 0.00 C ATOM 1243 C GLY A 79 -2.672 -3.737 -4.229 1.00 0.00 C ATOM 1244 O GLY A 79 -3.466 -4.470 -4.816 1.00 0.00 O ATOM 0 H GLY A 79 -2.546 -0.749 -2.834 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.659 -1.958 -4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.925 -1.785 -4.763 1.00 0.00 H new ATOM 1248 N ALA A 80 -1.652 -4.166 -3.500 1.00 0.00 N ATOM 1249 CA ALA A 80 -1.394 -5.587 -3.338 1.00 0.00 C ATOM 1250 C ALA A 80 -2.669 -6.281 -2.856 1.00 0.00 C ATOM 1251 O ALA A 80 -3.211 -7.142 -3.548 1.00 0.00 O ATOM 1252 CB ALA A 80 -0.222 -5.786 -2.375 1.00 0.00 C ATOM 0 H ALA A 80 -0.995 -3.555 -3.015 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.114 -6.037 -4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.028 -6.852 -2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.666 -5.299 -2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.468 -5.349 -1.407 1.00 0.00 H new ATOM 1258 N VAL A 81 -3.112 -5.880 -1.673 1.00 0.00 N ATOM 1259 CA VAL A 81 -4.313 -6.453 -1.091 1.00 0.00 C ATOM 1260 C VAL A 81 -5.367 -6.640 -2.185 1.00 0.00 C ATOM 1261 O VAL A 81 -5.693 -7.767 -2.551 1.00 0.00 O ATOM 1262 CB VAL A 81 -4.801 -5.580 0.067 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -6.182 -6.030 0.549 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -3.792 -5.579 1.216 1.00 0.00 C ATOM 0 H VAL A 81 -2.660 -5.165 -1.102 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.102 -7.437 -0.672 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.891 -4.557 -0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.505 -5.393 1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.896 -5.954 -0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.129 -7.064 0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.163 -4.951 2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.654 -6.597 1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.838 -5.188 0.862 1.00 0.00 H new ATOM 1274 N TYR A 82 -5.869 -5.516 -2.676 1.00 0.00 N ATOM 1275 CA TYR A 82 -6.878 -5.541 -3.721 1.00 0.00 C ATOM 1276 C TYR A 82 -6.602 -6.664 -4.723 1.00 0.00 C ATOM 1277 O TYR A 82 -7.443 -7.539 -4.927 1.00 0.00 O ATOM 1278 CB TYR A 82 -6.774 -4.195 -4.440 1.00 0.00 C ATOM 1279 CG TYR A 82 -7.418 -4.180 -5.828 1.00 0.00 C ATOM 1280 CD1 TYR A 82 -8.793 -4.158 -5.950 1.00 0.00 C ATOM 1281 CD2 TYR A 82 -6.625 -4.187 -6.957 1.00 0.00 C ATOM 1282 CE1 TYR A 82 -9.399 -4.143 -7.256 1.00 0.00 C ATOM 1283 CE2 TYR A 82 -7.231 -4.173 -8.263 1.00 0.00 C ATOM 1284 CZ TYR A 82 -8.589 -4.152 -8.348 1.00 0.00 C ATOM 1285 OH TYR A 82 -9.161 -4.138 -9.582 1.00 0.00 O ATOM 0 H TYR A 82 -5.596 -4.582 -2.369 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.867 -5.712 -3.296 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.244 -3.428 -3.824 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.722 -3.926 -4.536 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -9.414 -4.152 -5.066 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.549 -4.203 -6.861 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.473 -4.125 -7.366 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.622 -4.179 -9.155 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.461 -4.146 -10.267 1.00 0.00 H new ATOM 1295 N THR A 83 -5.422 -6.604 -5.320 1.00 0.00 N ATOM 1296 CA THR A 83 -5.025 -7.605 -6.296 1.00 0.00 C ATOM 1297 C THR A 83 -5.312 -9.011 -5.765 1.00 0.00 C ATOM 1298 O THR A 83 -5.783 -9.873 -6.504 1.00 0.00 O ATOM 1299 CB THR A 83 -3.551 -7.374 -6.638 1.00 0.00 C ATOM 1300 OG1 THR A 83 -3.563 -6.203 -7.450 1.00 0.00 O ATOM 1301 CG2 THR A 83 -2.986 -8.459 -7.557 1.00 0.00 C ATOM 0 H THR A 83 -4.727 -5.878 -5.147 1.00 0.00 H new ATOM 0 HA THR A 83 -5.605 -7.514 -7.214 1.00 0.00 H new ATOM 0 HB THR A 83 -2.967 -7.337 -5.719 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.539 -5.408 -6.878 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.938 -8.247 -7.768 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.069 -9.430 -7.068 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.548 -8.474 -8.491 1.00 0.00 H new ATOM 1309 N MET A 84 -5.015 -9.198 -4.487 1.00 0.00 N ATOM 1310 CA MET A 84 -5.235 -10.484 -3.848 1.00 0.00 C ATOM 1311 C MET A 84 -6.726 -10.730 -3.610 1.00 0.00 C ATOM 1312 O MET A 84 -7.322 -11.605 -4.236 1.00 0.00 O ATOM 1313 CB MET A 84 -4.491 -10.524 -2.512 1.00 0.00 C ATOM 1314 CG MET A 84 -2.977 -10.542 -2.727 1.00 0.00 C ATOM 1315 SD MET A 84 -2.511 -11.985 -3.669 1.00 0.00 S ATOM 1316 CE MET A 84 -0.984 -11.405 -4.389 1.00 0.00 C ATOM 0 H MET A 84 -4.624 -8.480 -3.877 1.00 0.00 H new ATOM 0 HA MET A 84 -4.858 -11.266 -4.507 1.00 0.00 H new ATOM 0 HB2 MET A 84 -4.766 -9.656 -1.912 1.00 0.00 H new ATOM 0 HB3 MET A 84 -4.792 -11.408 -1.950 1.00 0.00 H new ATOM 0 HG2 MET A 84 -2.665 -9.639 -3.252 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.465 -10.545 -1.765 1.00 0.00 H new ATOM 0 HE1 MET A 84 -0.555 -12.189 -5.013 1.00 0.00 H new ATOM 0 HE2 MET A 84 -1.181 -10.523 -4.998 1.00 0.00 H new ATOM 0 HE3 MET A 84 -0.282 -11.148 -3.596 1.00 0.00 H new ATOM 1326 N TYR A 85 -7.286 -9.941 -2.704 1.00 0.00 N ATOM 1327 CA TYR A 85 -8.697 -10.062 -2.376 1.00 0.00 C ATOM 1328 C TYR A 85 -9.523 -10.390 -3.622 1.00 0.00 C ATOM 1329 O TYR A 85 -10.398 -11.253 -3.581 1.00 0.00 O ATOM 1330 CB TYR A 85 -9.124 -8.695 -1.840 1.00 0.00 C ATOM 1331 CG TYR A 85 -9.702 -8.734 -0.424 1.00 0.00 C ATOM 1332 CD1 TYR A 85 -8.879 -9.005 0.650 1.00 0.00 C ATOM 1333 CD2 TYR A 85 -11.047 -8.499 -0.221 1.00 0.00 C ATOM 1334 CE1 TYR A 85 -9.423 -9.042 1.983 1.00 0.00 C ATOM 1335 CE2 TYR A 85 -11.591 -8.537 1.112 1.00 0.00 C ATOM 1336 CZ TYR A 85 -10.752 -8.806 2.148 1.00 0.00 C ATOM 1337 OH TYR A 85 -11.266 -8.841 3.407 1.00 0.00 O ATOM 0 H TYR A 85 -6.788 -9.216 -2.187 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.856 -10.862 -1.653 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.263 -8.027 -1.852 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.868 -8.268 -2.513 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -7.827 -9.189 0.491 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -11.691 -8.287 -1.061 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -8.790 -9.252 2.832 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -12.642 -8.356 1.285 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.227 -8.653 3.373 1.00 0.00 H new ATOM 1347 N SER A 86 -9.217 -9.682 -4.699 1.00 0.00 N ATOM 1348 CA SER A 86 -9.920 -9.886 -5.954 1.00 0.00 C ATOM 1349 C SER A 86 -9.482 -11.207 -6.590 1.00 0.00 C ATOM 1350 O SER A 86 -10.319 -12.025 -6.969 1.00 0.00 O ATOM 1351 CB SER A 86 -9.674 -8.725 -6.918 1.00 0.00 C ATOM 1352 OG SER A 86 -10.843 -7.932 -7.108 1.00 0.00 O ATOM 0 H SER A 86 -8.491 -8.966 -4.728 1.00 0.00 H new ATOM 0 HA SER A 86 -10.989 -9.928 -5.745 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.869 -8.098 -6.533 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.341 -9.116 -7.879 1.00 0.00 H new ATOM 0 HG SER A 86 -10.644 -7.200 -7.729 1.00 0.00 H new ATOM 1358 N ASP A 87 -8.172 -11.374 -6.688 1.00 0.00 N ATOM 1359 CA ASP A 87 -7.613 -12.581 -7.272 1.00 0.00 C ATOM 1360 C ASP A 87 -8.270 -13.805 -6.630 1.00 0.00 C ATOM 1361 O ASP A 87 -8.353 -14.865 -7.248 1.00 0.00 O ATOM 1362 CB ASP A 87 -6.106 -12.668 -7.021 1.00 0.00 C ATOM 1363 CG ASP A 87 -5.228 -12.235 -8.197 1.00 0.00 C ATOM 1364 OD1 ASP A 87 -5.722 -11.690 -9.196 1.00 0.00 O ATOM 1365 OD2 ASP A 87 -3.970 -12.482 -8.058 1.00 0.00 O ATOM 0 H ASP A 87 -7.481 -10.693 -6.373 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.799 -12.553 -8.346 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.861 -12.050 -6.157 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.855 -13.696 -6.759 1.00 0.00 H new ATOM 1370 N TYR A 88 -8.721 -13.617 -5.399 1.00 0.00 N ATOM 1371 CA TYR A 88 -9.368 -14.692 -4.667 1.00 0.00 C ATOM 1372 C TYR A 88 -10.258 -15.526 -5.591 1.00 0.00 C ATOM 1373 O TYR A 88 -10.385 -16.736 -5.409 1.00 0.00 O ATOM 1374 CB TYR A 88 -10.244 -14.015 -3.610 1.00 0.00 C ATOM 1375 CG TYR A 88 -11.047 -14.992 -2.749 1.00 0.00 C ATOM 1376 CD1 TYR A 88 -10.398 -15.808 -1.844 1.00 0.00 C ATOM 1377 CD2 TYR A 88 -12.419 -15.057 -2.876 1.00 0.00 C ATOM 1378 CE1 TYR A 88 -11.153 -16.727 -1.033 1.00 0.00 C ATOM 1379 CE2 TYR A 88 -13.175 -15.976 -2.065 1.00 0.00 C ATOM 1380 CZ TYR A 88 -12.504 -16.766 -1.184 1.00 0.00 C ATOM 1381 OH TYR A 88 -13.218 -17.635 -0.418 1.00 0.00 O ATOM 0 H TYR A 88 -8.651 -12.736 -4.890 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.626 -15.360 -4.230 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.611 -13.411 -2.961 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.934 -13.333 -4.107 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -9.324 -15.757 -1.744 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -12.926 -14.418 -3.584 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -10.658 -17.371 -0.321 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -14.250 -16.037 -2.154 1.00 0.00 H new ATOM 0 HH TYR A 88 -14.171 -17.553 -0.632 1.00 0.00 H new ATOM 1391 N VAL A 89 -10.850 -14.847 -6.562 1.00 0.00 N ATOM 1392 CA VAL A 89 -11.723 -15.510 -7.515 1.00 0.00 C ATOM 1393 C VAL A 89 -11.027 -16.762 -8.052 1.00 0.00 C ATOM 1394 O VAL A 89 -9.819 -16.924 -7.888 1.00 0.00 O ATOM 1395 CB VAL A 89 -12.132 -14.533 -8.619 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -12.902 -15.251 -9.729 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -12.948 -13.371 -8.048 1.00 0.00 C ATOM 0 H VAL A 89 -10.742 -13.843 -6.709 1.00 0.00 H new ATOM 0 HA VAL A 89 -12.644 -15.833 -7.029 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.222 -14.121 -9.056 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -13.181 -14.534 -10.501 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -12.273 -16.027 -10.165 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -13.802 -15.704 -9.313 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.226 -12.691 -8.853 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.849 -13.758 -7.573 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -12.351 -12.835 -7.311 1.00 0.00 H new