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 Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.115 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 -13:sc= 0.623 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.342 K(o=-0.34,f=-4!) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 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 104:sc= 1.27 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 4.816 -3.249 -10.796 1.00 0.00 N ATOM 245 CA CYS A 16 3.865 -4.146 -10.163 1.00 0.00 C ATOM 246 C CYS A 16 4.510 -4.715 -8.897 1.00 0.00 C ATOM 247 O CYS A 16 4.506 -4.070 -7.850 1.00 0.00 O ATOM 248 CB CYS A 16 3.408 -5.252 -11.117 1.00 0.00 C ATOM 249 SG CYS A 16 2.158 -4.597 -12.281 1.00 0.00 S ATOM 0 HA CYS A 16 2.965 -3.594 -9.894 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.262 -5.643 -11.670 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.989 -6.083 -10.550 1.00 0.00 H new ATOM 0 HG CYS A 16 1.778 -5.543 -13.088 1.00 0.00 H new ATOM 255 N VAL A 17 5.049 -5.918 -9.036 1.00 0.00 N ATOM 256 CA VAL A 17 5.697 -6.580 -7.917 1.00 0.00 C ATOM 257 C VAL A 17 7.142 -6.913 -8.294 1.00 0.00 C ATOM 258 O VAL A 17 8.067 -6.625 -7.536 1.00 0.00 O ATOM 259 CB VAL A 17 4.890 -7.811 -7.499 1.00 0.00 C ATOM 260 CG1 VAL A 17 5.629 -8.614 -6.427 1.00 0.00 C ATOM 261 CG2 VAL A 17 3.492 -7.413 -7.019 1.00 0.00 C ATOM 0 H VAL A 17 5.050 -6.451 -9.906 1.00 0.00 H new ATOM 0 HA VAL A 17 5.731 -5.920 -7.050 1.00 0.00 H new ATOM 0 HB VAL A 17 4.775 -8.449 -8.375 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.033 -9.483 -6.148 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.591 -8.944 -6.818 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.790 -7.988 -5.549 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.939 -8.306 -6.728 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.578 -6.744 -6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.962 -6.905 -7.824 1.00 0.00 H new ATOM 271 N SER A 18 7.290 -7.516 -9.465 1.00 0.00 N ATOM 272 CA SER A 18 8.607 -7.891 -9.952 1.00 0.00 C ATOM 273 C SER A 18 9.333 -8.733 -8.901 1.00 0.00 C ATOM 274 O SER A 18 8.840 -8.902 -7.786 1.00 0.00 O ATOM 275 CB SER A 18 9.436 -6.655 -10.307 1.00 0.00 C ATOM 276 OG SER A 18 10.658 -7.000 -10.953 1.00 0.00 O ATOM 0 H SER A 18 6.520 -7.754 -10.090 1.00 0.00 H new ATOM 0 HA SER A 18 8.481 -8.483 -10.859 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.854 -6.002 -10.957 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.652 -6.091 -9.400 1.00 0.00 H new ATOM 0 HG SER A 18 11.158 -6.184 -11.165 1.00 0.00 H new ATOM 282 N GLU A 19 10.493 -9.240 -9.292 1.00 0.00 N ATOM 283 CA GLU A 19 11.292 -10.060 -8.398 1.00 0.00 C ATOM 284 C GLU A 19 11.753 -9.237 -7.193 1.00 0.00 C ATOM 285 O GLU A 19 12.114 -9.795 -6.158 1.00 0.00 O ATOM 286 CB GLU A 19 12.486 -10.671 -9.134 1.00 0.00 C ATOM 287 CG GLU A 19 13.415 -9.581 -9.672 1.00 0.00 C ATOM 288 CD GLU A 19 13.897 -9.920 -11.084 1.00 0.00 C ATOM 289 OE1 GLU A 19 14.600 -10.998 -11.176 1.00 0.00 O ATOM 290 OE2 GLU A 19 13.606 -9.177 -12.034 1.00 0.00 O ATOM 0 H GLU A 19 10.899 -9.098 -10.217 1.00 0.00 H new ATOM 0 HA GLU A 19 10.672 -10.880 -8.037 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.039 -11.324 -8.459 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.132 -11.291 -9.958 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.892 -8.625 -9.682 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.272 -9.468 -9.008 1.00 0.00 H new ATOM 297 N LYS A 20 11.726 -7.924 -7.368 1.00 0.00 N ATOM 298 CA LYS A 20 12.137 -7.019 -6.309 1.00 0.00 C ATOM 299 C LYS A 20 11.163 -7.140 -5.135 1.00 0.00 C ATOM 300 O LYS A 20 11.550 -7.552 -4.042 1.00 0.00 O ATOM 301 CB LYS A 20 12.279 -5.594 -6.846 1.00 0.00 C ATOM 302 CG LYS A 20 13.527 -4.915 -6.277 1.00 0.00 C ATOM 303 CD LYS A 20 13.299 -3.413 -6.096 1.00 0.00 C ATOM 304 CE LYS A 20 14.355 -2.806 -5.170 1.00 0.00 C ATOM 305 NZ LYS A 20 15.682 -2.809 -5.824 1.00 0.00 N ATOM 0 H LYS A 20 11.426 -7.465 -8.228 1.00 0.00 H new ATOM 0 HA LYS A 20 13.124 -7.293 -5.935 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.337 -5.616 -7.934 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.394 -5.013 -6.585 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.786 -5.365 -5.319 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.372 -5.080 -6.945 1.00 0.00 H new ATOM 0 HD2 LYS A 20 13.332 -2.917 -7.066 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.305 -3.239 -5.683 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.074 -1.786 -4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.400 -3.373 -4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.387 -2.394 -5.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.955 -3.786 -6.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.639 -2.249 -6.699 1.00 0.00 H new ATOM 319 N LEU A 21 9.918 -6.772 -5.401 1.00 0.00 N ATOM 320 CA LEU A 21 8.885 -6.834 -4.380 1.00 0.00 C ATOM 321 C LEU A 21 8.700 -8.286 -3.936 1.00 0.00 C ATOM 322 O LEU A 21 8.557 -8.562 -2.745 1.00 0.00 O ATOM 323 CB LEU A 21 7.598 -6.174 -4.879 1.00 0.00 C ATOM 324 CG LEU A 21 6.734 -5.498 -3.813 1.00 0.00 C ATOM 325 CD1 LEU A 21 6.154 -6.529 -2.843 1.00 0.00 C ATOM 326 CD2 LEU A 21 7.517 -4.403 -3.086 1.00 0.00 C ATOM 0 H LEU A 21 9.601 -6.430 -6.308 1.00 0.00 H new ATOM 0 HA LEU A 21 9.185 -6.267 -3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.863 -5.429 -5.630 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.995 -6.932 -5.380 1.00 0.00 H new ATOM 0 HG LEU A 21 5.893 -5.015 -4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.544 -6.022 -2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.537 -7.240 -3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.967 -7.061 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.880 -3.938 -2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.390 -4.840 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.840 -3.649 -3.804 1.00 0.00 H new ATOM 338 N LEU A 22 8.708 -9.177 -4.916 1.00 0.00 N ATOM 339 CA LEU A 22 8.542 -10.594 -4.641 1.00 0.00 C ATOM 340 C LEU A 22 9.491 -11.005 -3.514 1.00 0.00 C ATOM 341 O LEU A 22 9.050 -11.481 -2.469 1.00 0.00 O ATOM 342 CB LEU A 22 8.717 -11.413 -5.922 1.00 0.00 C ATOM 343 CG LEU A 22 8.009 -12.769 -5.954 1.00 0.00 C ATOM 344 CD1 LEU A 22 7.459 -13.067 -7.350 1.00 0.00 C ATOM 345 CD2 LEU A 22 8.931 -13.881 -5.451 1.00 0.00 C ATOM 0 H LEU A 22 8.827 -8.945 -5.902 1.00 0.00 H new ATOM 0 HA LEU A 22 7.529 -10.799 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.358 -10.818 -6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.783 -11.578 -6.081 1.00 0.00 H new ATOM 0 HG LEU A 22 7.157 -12.726 -5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.961 -14.036 -7.345 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.745 -12.293 -7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.279 -13.084 -8.068 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.403 -14.834 -5.484 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.816 -13.934 -6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.232 -13.668 -4.425 1.00 0.00 H new ATOM 357 N ARG A 23 10.777 -10.807 -3.764 1.00 0.00 N ATOM 358 CA ARG A 23 11.792 -11.150 -2.783 1.00 0.00 C ATOM 359 C ARG A 23 11.556 -10.380 -1.483 1.00 0.00 C ATOM 360 O ARG A 23 11.724 -10.928 -0.394 1.00 0.00 O ATOM 361 CB ARG A 23 13.194 -10.834 -3.308 1.00 0.00 C ATOM 362 CG ARG A 23 13.965 -12.118 -3.623 1.00 0.00 C ATOM 363 CD ARG A 23 14.707 -12.629 -2.387 1.00 0.00 C ATOM 364 NE ARG A 23 16.144 -12.290 -2.484 1.00 0.00 N ATOM 365 CZ ARG A 23 17.046 -12.529 -1.508 1.00 0.00 C ATOM 366 NH1 ARG A 23 16.665 -13.113 -0.351 1.00 0.00 N ATOM 367 NH2 ARG A 23 18.305 -12.184 -1.701 1.00 0.00 N ATOM 0 H ARG A 23 11.139 -10.413 -4.632 1.00 0.00 H new ATOM 0 HA ARG A 23 11.720 -12.221 -2.592 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.120 -10.221 -4.206 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.740 -10.250 -2.567 1.00 0.00 H new ATOM 0 HG2 ARG A 23 13.275 -12.883 -3.979 1.00 0.00 H new ATOM 0 HG3 ARG A 23 14.677 -11.931 -4.427 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.280 -12.186 -1.487 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.585 -13.709 -2.299 1.00 0.00 H new ATOM 0 HE ARG A 23 16.474 -11.848 -3.342 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.690 -13.377 -0.210 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.352 -13.290 0.381 1.00 0.00 H new ATOM 0 HH21 ARG A 23 18.584 -11.744 -2.578 1.00 0.00 H new ATOM 0 HH22 ARG A 23 18.999 -12.358 -0.974 1.00 0.00 H new ATOM 381 N LYS A 24 11.171 -9.122 -1.639 1.00 0.00 N ATOM 382 CA LYS A 24 10.910 -8.272 -0.490 1.00 0.00 C ATOM 383 C LYS A 24 10.043 -9.031 0.515 1.00 0.00 C ATOM 384 O LYS A 24 10.424 -9.190 1.674 1.00 0.00 O ATOM 385 CB LYS A 24 10.308 -6.938 -0.937 1.00 0.00 C ATOM 386 CG LYS A 24 10.605 -5.834 0.080 1.00 0.00 C ATOM 387 CD LYS A 24 9.676 -4.635 -0.125 1.00 0.00 C ATOM 388 CE LYS A 24 9.717 -3.697 1.083 1.00 0.00 C ATOM 389 NZ LYS A 24 10.011 -2.312 0.654 1.00 0.00 N ATOM 0 H LYS A 24 11.034 -8.671 -2.543 1.00 0.00 H new ATOM 0 HA LYS A 24 11.841 -8.022 0.018 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.713 -6.660 -1.910 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.230 -7.044 -1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.484 -6.224 1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.643 -5.515 -0.017 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.971 -4.091 -1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.656 -4.984 -0.285 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.761 -3.727 1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.477 -4.035 1.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.035 -1.689 1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.934 -2.286 0.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.271 -1.987 -0.001 1.00 0.00 H new ATOM 403 N THR A 25 8.893 -9.481 0.036 1.00 0.00 N ATOM 404 CA THR A 25 7.968 -10.221 0.878 1.00 0.00 C ATOM 405 C THR A 25 7.030 -11.072 0.021 1.00 0.00 C ATOM 406 O THR A 25 6.493 -10.597 -0.979 1.00 0.00 O ATOM 407 CB THR A 25 7.234 -9.217 1.769 1.00 0.00 C ATOM 408 OG1 THR A 25 8.214 -8.816 2.722 1.00 0.00 O ATOM 409 CG2 THR A 25 6.140 -9.874 2.613 1.00 0.00 C ATOM 0 H THR A 25 8.580 -9.347 -0.926 1.00 0.00 H new ATOM 0 HA THR A 25 8.496 -10.925 1.522 1.00 0.00 H new ATOM 0 HB THR A 25 6.794 -8.436 1.149 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.977 -9.429 2.684 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.650 -9.118 3.227 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.405 -10.340 1.957 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.584 -10.633 3.258 1.00 0.00 H new ATOM 417 N ARG A 26 6.861 -12.317 0.443 1.00 0.00 N ATOM 418 CA ARG A 26 5.997 -13.239 -0.273 1.00 0.00 C ATOM 419 C ARG A 26 5.949 -14.589 0.446 1.00 0.00 C ATOM 420 O ARG A 26 6.654 -15.523 0.068 1.00 0.00 O ATOM 421 CB ARG A 26 6.485 -13.451 -1.708 1.00 0.00 C ATOM 422 CG ARG A 26 5.495 -14.303 -2.504 1.00 0.00 C ATOM 423 CD ARG A 26 4.725 -13.449 -3.514 1.00 0.00 C ATOM 424 NE ARG A 26 4.316 -14.278 -4.670 1.00 0.00 N ATOM 425 CZ ARG A 26 3.261 -15.120 -4.662 1.00 0.00 C ATOM 426 NH1 ARG A 26 2.499 -15.252 -3.556 1.00 0.00 N ATOM 427 NH2 ARG A 26 2.987 -15.813 -5.751 1.00 0.00 N ATOM 0 H ARG A 26 7.308 -12.708 1.272 1.00 0.00 H new ATOM 0 HA ARG A 26 4.999 -12.802 -0.302 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.615 -12.486 -2.198 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.461 -13.937 -1.696 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.030 -15.096 -3.026 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.795 -14.786 -1.822 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.846 -13.014 -3.039 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.348 -12.621 -3.852 1.00 0.00 H new ATOM 0 HE ARG A 26 4.866 -14.209 -5.526 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.719 -14.713 -2.718 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.703 -15.890 -3.558 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.569 -15.708 -6.582 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.193 -16.454 -5.762 1.00 0.00 H new ATOM 441 N GLU A 27 5.109 -14.649 1.469 1.00 0.00 N ATOM 442 CA GLU A 27 4.960 -15.868 2.244 1.00 0.00 C ATOM 443 C GLU A 27 3.872 -15.693 3.306 1.00 0.00 C ATOM 444 O GLU A 27 3.400 -14.581 3.538 1.00 0.00 O ATOM 445 CB GLU A 27 6.288 -16.278 2.883 1.00 0.00 C ATOM 446 CG GLU A 27 6.794 -17.599 2.299 1.00 0.00 C ATOM 447 CD GLU A 27 6.486 -18.767 3.238 1.00 0.00 C ATOM 448 OE1 GLU A 27 6.922 -18.762 4.398 1.00 0.00 O ATOM 449 OE2 GLU A 27 5.764 -19.704 2.723 1.00 0.00 O ATOM 0 H GLU A 27 4.525 -13.873 1.779 1.00 0.00 H new ATOM 0 HA GLU A 27 4.657 -16.669 1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.030 -15.497 2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.161 -16.378 3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.328 -17.774 1.329 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.869 -17.538 2.129 1.00 0.00 H new ATOM 456 N SER A 28 3.506 -16.807 3.922 1.00 0.00 N ATOM 457 CA SER A 28 2.483 -16.790 4.954 1.00 0.00 C ATOM 458 C SER A 28 1.131 -16.416 4.343 1.00 0.00 C ATOM 459 O SER A 28 1.068 -15.938 3.212 1.00 0.00 O ATOM 460 CB SER A 28 2.847 -15.816 6.075 1.00 0.00 C ATOM 461 OG SER A 28 3.309 -16.492 7.241 1.00 0.00 O ATOM 0 H SER A 28 3.899 -17.728 3.726 1.00 0.00 H new ATOM 0 HA SER A 28 2.416 -17.788 5.386 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.619 -15.131 5.724 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.975 -15.212 6.328 1.00 0.00 H new ATOM 0 HG SER A 28 3.533 -15.835 7.933 1.00 0.00 H new ATOM 467 N PRO A 29 0.055 -16.653 5.141 1.00 0.00 N ATOM 468 CA PRO A 29 -1.292 -16.346 4.691 1.00 0.00 C ATOM 469 C PRO A 29 -1.552 -14.838 4.729 1.00 0.00 C ATOM 470 O PRO A 29 -0.800 -14.090 5.351 1.00 0.00 O ATOM 471 CB PRO A 29 -2.205 -17.130 5.619 1.00 0.00 C ATOM 472 CG PRO A 29 -1.365 -17.475 6.837 1.00 0.00 C ATOM 473 CD PRO A 29 0.092 -17.218 6.486 1.00 0.00 C ATOM 0 HA PRO A 29 -1.464 -16.629 3.653 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -3.076 -16.539 5.900 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.575 -18.032 5.132 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.665 -16.868 7.692 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.512 -18.518 7.119 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.554 -16.528 7.193 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.674 -18.139 6.513 1.00 0.00 H new ATOM 481 N LEU A 30 -2.621 -14.438 4.055 1.00 0.00 N ATOM 482 CA LEU A 30 -2.990 -13.033 4.004 1.00 0.00 C ATOM 483 C LEU A 30 -4.099 -12.764 5.023 1.00 0.00 C ATOM 484 O LEU A 30 -4.320 -11.620 5.418 1.00 0.00 O ATOM 485 CB LEU A 30 -3.356 -12.627 2.575 1.00 0.00 C ATOM 486 CG LEU A 30 -2.839 -11.263 2.112 1.00 0.00 C ATOM 487 CD1 LEU A 30 -1.595 -11.418 1.234 1.00 0.00 C ATOM 488 CD2 LEU A 30 -3.942 -10.469 1.409 1.00 0.00 C ATOM 0 H LEU A 30 -3.243 -15.062 3.540 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.143 -12.406 4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.976 -13.388 1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.442 -12.632 2.484 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.543 -10.692 2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.248 -10.434 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.809 -11.916 1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.842 -12.015 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.549 -9.504 1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.292 -11.024 0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.773 -10.313 2.097 1.00 0.00 H new ATOM 500 N VAL A 31 -4.767 -13.837 5.420 1.00 0.00 N ATOM 501 CA VAL A 31 -5.847 -13.732 6.386 1.00 0.00 C ATOM 502 C VAL A 31 -5.372 -12.914 7.589 1.00 0.00 C ATOM 503 O VAL A 31 -6.038 -11.966 8.001 1.00 0.00 O ATOM 504 CB VAL A 31 -6.344 -15.127 6.770 1.00 0.00 C ATOM 505 CG1 VAL A 31 -6.584 -15.227 8.278 1.00 0.00 C ATOM 506 CG2 VAL A 31 -7.607 -15.494 5.988 1.00 0.00 C ATOM 0 H VAL A 31 -4.581 -14.784 5.090 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.698 -13.207 5.952 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.567 -15.844 6.506 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.937 -16.228 8.525 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.653 -15.029 8.809 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.334 -14.494 8.576 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.939 -16.490 6.280 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.393 -14.771 6.206 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.390 -15.483 4.920 1.00 0.00 H new ATOM 516 N PRO A 32 -4.194 -13.322 8.132 1.00 0.00 N ATOM 517 CA PRO A 32 -3.622 -12.638 9.279 1.00 0.00 C ATOM 518 C PRO A 32 -3.009 -11.297 8.868 1.00 0.00 C ATOM 519 O PRO A 32 -3.581 -10.241 9.134 1.00 0.00 O ATOM 520 CB PRO A 32 -2.600 -13.609 9.847 1.00 0.00 C ATOM 521 CG PRO A 32 -2.305 -14.602 8.734 1.00 0.00 C ATOM 522 CD PRO A 32 -3.378 -14.441 7.669 1.00 0.00 C ATOM 0 HA PRO A 32 -4.368 -12.381 10.031 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.694 -13.087 10.155 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.991 -14.116 10.729 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.317 -14.419 8.311 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.302 -15.621 9.122 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.939 -14.234 6.693 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.973 -15.349 7.565 1.00 0.00 H new ATOM 530 N ILE A 33 -1.853 -11.383 8.227 1.00 0.00 N ATOM 531 CA ILE A 33 -1.156 -10.190 7.777 1.00 0.00 C ATOM 532 C ILE A 33 -2.173 -9.187 7.230 1.00 0.00 C ATOM 533 O ILE A 33 -2.029 -7.981 7.428 1.00 0.00 O ATOM 534 CB ILE A 33 -0.055 -10.557 6.780 1.00 0.00 C ATOM 535 CG1 ILE A 33 1.042 -11.383 7.453 1.00 0.00 C ATOM 536 CG2 ILE A 33 0.505 -9.307 6.098 1.00 0.00 C ATOM 537 CD1 ILE A 33 1.874 -10.520 8.404 1.00 0.00 C ATOM 0 H ILE A 33 -1.381 -12.261 8.008 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.649 -9.707 8.612 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.494 -11.180 6.001 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.593 -12.209 8.005 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.690 -11.821 6.694 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.286 -9.595 5.394 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.295 -8.795 5.563 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.923 -8.639 6.850 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.647 -11.132 8.869 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.341 -9.709 7.845 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.228 -10.103 9.176 1.00 0.00 H new ATOM 549 N GLY A 34 -3.178 -9.721 6.551 1.00 0.00 N ATOM 550 CA GLY A 34 -4.218 -8.888 5.973 1.00 0.00 C ATOM 551 C GLY A 34 -5.050 -8.214 7.066 1.00 0.00 C ATOM 552 O GLY A 34 -5.198 -6.993 7.075 1.00 0.00 O ATOM 0 H GLY A 34 -3.294 -10.721 6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.768 -8.129 5.333 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.865 -9.495 5.340 1.00 0.00 H new ATOM 556 N LEU A 35 -5.573 -9.040 7.961 1.00 0.00 N ATOM 557 CA LEU A 35 -6.387 -8.539 9.055 1.00 0.00 C ATOM 558 C LEU A 35 -5.678 -7.353 9.712 1.00 0.00 C ATOM 559 O LEU A 35 -6.284 -6.305 9.930 1.00 0.00 O ATOM 560 CB LEU A 35 -6.727 -9.668 10.030 1.00 0.00 C ATOM 561 CG LEU A 35 -7.927 -9.424 10.948 1.00 0.00 C ATOM 562 CD1 LEU A 35 -7.668 -8.244 11.887 1.00 0.00 C ATOM 563 CD2 LEU A 35 -9.210 -9.238 10.135 1.00 0.00 C ATOM 0 H LEU A 35 -5.449 -10.052 7.950 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.343 -8.172 8.681 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.914 -10.574 9.454 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.852 -9.860 10.652 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.065 -10.307 11.571 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.536 -8.092 12.528 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.794 -8.454 12.503 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.489 -7.344 11.299 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.048 -9.066 10.811 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -9.099 -8.381 9.470 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -9.399 -10.134 9.544 1.00 0.00 H new ATOM 575 N GLY A 36 -4.403 -7.558 10.009 1.00 0.00 N ATOM 576 CA GLY A 36 -3.604 -6.518 10.636 1.00 0.00 C ATOM 577 C GLY A 36 -3.567 -5.258 9.769 1.00 0.00 C ATOM 578 O GLY A 36 -4.114 -4.223 10.148 1.00 0.00 O ATOM 0 H GLY A 36 -3.903 -8.429 9.827 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.017 -6.278 11.616 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.589 -6.882 10.799 1.00 0.00 H new ATOM 582 N GLY A 37 -2.916 -5.386 8.622 1.00 0.00 N ATOM 583 CA GLY A 37 -2.800 -4.270 7.699 1.00 0.00 C ATOM 584 C GLY A 37 -4.169 -3.650 7.413 1.00 0.00 C ATOM 585 O GLY A 37 -4.256 -2.507 6.968 1.00 0.00 O ATOM 0 H GLY A 37 -2.463 -6.246 8.311 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.135 -3.515 8.118 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.349 -4.610 6.767 1.00 0.00 H new ATOM 589 N CYS A 38 -5.205 -4.432 7.681 1.00 0.00 N ATOM 590 CA CYS A 38 -6.566 -3.975 7.458 1.00 0.00 C ATOM 591 C CYS A 38 -6.912 -2.952 8.542 1.00 0.00 C ATOM 592 O CYS A 38 -7.041 -1.762 8.260 1.00 0.00 O ATOM 593 CB CYS A 38 -7.558 -5.139 7.433 1.00 0.00 C ATOM 594 SG CYS A 38 -9.158 -4.584 6.742 1.00 0.00 S ATOM 0 H CYS A 38 -5.129 -5.380 8.051 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.638 -3.503 6.478 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.157 -5.956 6.833 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.703 -5.526 8.442 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.992 -5.581 6.723 1.00 0.00 H new ATOM 600 N LEU A 39 -7.054 -3.454 9.760 1.00 0.00 N ATOM 601 CA LEU A 39 -7.383 -2.600 10.888 1.00 0.00 C ATOM 602 C LEU A 39 -6.572 -1.306 10.796 1.00 0.00 C ATOM 603 O LEU A 39 -7.113 -0.216 10.973 1.00 0.00 O ATOM 604 CB LEU A 39 -7.191 -3.354 12.205 1.00 0.00 C ATOM 605 CG LEU A 39 -7.749 -2.671 13.456 1.00 0.00 C ATOM 606 CD1 LEU A 39 -8.534 -3.663 14.318 1.00 0.00 C ATOM 607 CD2 LEU A 39 -6.636 -1.981 14.247 1.00 0.00 C ATOM 0 H LEU A 39 -6.947 -4.442 9.990 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.436 -2.319 10.859 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.658 -4.334 12.111 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.124 -3.522 12.352 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.447 -1.896 13.139 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.920 -3.152 15.200 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.365 -4.068 13.741 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.877 -4.476 14.627 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.060 -1.504 15.131 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.896 -2.720 14.553 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.159 -1.227 13.621 1.00 0.00 H new ATOM 619 N VAL A 40 -5.287 -1.469 10.519 1.00 0.00 N ATOM 620 CA VAL A 40 -4.395 -0.328 10.401 1.00 0.00 C ATOM 621 C VAL A 40 -4.898 0.593 9.288 1.00 0.00 C ATOM 622 O VAL A 40 -5.058 1.795 9.496 1.00 0.00 O ATOM 623 CB VAL A 40 -2.959 -0.806 10.179 1.00 0.00 C ATOM 624 CG1 VAL A 40 -2.059 0.349 9.737 1.00 0.00 C ATOM 625 CG2 VAL A 40 -2.406 -1.482 11.435 1.00 0.00 C ATOM 0 H VAL A 40 -4.842 -2.375 10.373 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.390 0.250 11.325 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.972 -1.546 9.379 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.044 -0.018 9.586 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.436 0.767 8.804 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.055 1.122 10.506 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.384 -1.812 11.250 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.414 -0.773 12.263 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.025 -2.343 11.688 1.00 0.00 H new ATOM 635 N VAL A 41 -5.133 -0.005 8.129 1.00 0.00 N ATOM 636 CA VAL A 41 -5.614 0.746 6.982 1.00 0.00 C ATOM 637 C VAL A 41 -6.913 1.463 7.356 1.00 0.00 C ATOM 638 O VAL A 41 -6.950 2.690 7.428 1.00 0.00 O ATOM 639 CB VAL A 41 -5.769 -0.182 5.776 1.00 0.00 C ATOM 640 CG1 VAL A 41 -6.632 0.467 4.692 1.00 0.00 C ATOM 641 CG2 VAL A 41 -4.404 -0.590 5.219 1.00 0.00 C ATOM 0 H VAL A 41 -4.999 -1.002 7.960 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.892 1.510 6.696 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.277 -1.086 6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.726 -0.214 3.846 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.621 0.683 5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.164 1.394 4.361 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.543 -1.250 4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.858 0.300 4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.837 -1.112 5.990 1.00 0.00 H new ATOM 651 N ALA A 42 -7.946 0.666 7.585 1.00 0.00 N ATOM 652 CA ALA A 42 -9.244 1.209 7.950 1.00 0.00 C ATOM 653 C ALA A 42 -9.049 2.379 8.917 1.00 0.00 C ATOM 654 O ALA A 42 -9.768 3.374 8.846 1.00 0.00 O ATOM 655 CB ALA A 42 -10.113 0.099 8.545 1.00 0.00 C ATOM 0 H ALA A 42 -7.911 -0.352 7.525 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.761 1.591 7.070 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.086 0.506 8.819 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.245 -0.694 7.809 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.627 -0.307 9.432 1.00 0.00 H new ATOM 661 N ALA A 43 -8.072 2.220 9.798 1.00 0.00 N ATOM 662 CA ALA A 43 -7.773 3.250 10.778 1.00 0.00 C ATOM 663 C ALA A 43 -7.271 4.503 10.057 1.00 0.00 C ATOM 664 O ALA A 43 -7.808 5.593 10.253 1.00 0.00 O ATOM 665 CB ALA A 43 -6.758 2.714 11.790 1.00 0.00 C ATOM 0 H ALA A 43 -7.477 1.393 9.853 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.671 3.525 11.332 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.534 3.487 12.525 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.174 1.842 12.295 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.842 2.430 11.271 1.00 0.00 H new ATOM 671 N TYR A 44 -6.248 4.307 9.239 1.00 0.00 N ATOM 672 CA TYR A 44 -5.669 5.407 8.488 1.00 0.00 C ATOM 673 C TYR A 44 -6.742 6.158 7.698 1.00 0.00 C ATOM 674 O TYR A 44 -6.966 7.346 7.922 1.00 0.00 O ATOM 675 CB TYR A 44 -4.680 4.774 7.507 1.00 0.00 C ATOM 676 CG TYR A 44 -4.170 5.734 6.431 1.00 0.00 C ATOM 677 CD1 TYR A 44 -3.436 6.846 6.790 1.00 0.00 C ATOM 678 CD2 TYR A 44 -4.444 5.488 5.101 1.00 0.00 C ATOM 679 CE1 TYR A 44 -2.956 7.750 5.776 1.00 0.00 C ATOM 680 CE2 TYR A 44 -3.964 6.392 4.087 1.00 0.00 C ATOM 681 CZ TYR A 44 -3.243 7.478 4.475 1.00 0.00 C ATOM 682 OH TYR A 44 -2.790 8.331 3.518 1.00 0.00 O ATOM 0 H TYR A 44 -5.805 3.402 9.080 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.193 6.121 9.160 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.829 4.385 8.066 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.159 3.923 7.023 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.221 7.039 7.831 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -5.018 4.618 4.820 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.381 8.624 6.043 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.172 6.211 3.043 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.069 8.010 2.635 1.00 0.00 H new ATOM 692 N ARG A 45 -7.378 5.433 6.789 1.00 0.00 N ATOM 693 CA ARG A 45 -8.423 6.015 5.964 1.00 0.00 C ATOM 694 C ARG A 45 -9.461 6.718 6.841 1.00 0.00 C ATOM 695 O ARG A 45 -9.969 7.779 6.479 1.00 0.00 O ATOM 696 CB ARG A 45 -9.118 4.946 5.120 1.00 0.00 C ATOM 697 CG ARG A 45 -9.886 3.962 6.005 1.00 0.00 C ATOM 698 CD ARG A 45 -10.569 2.883 5.161 1.00 0.00 C ATOM 699 NE ARG A 45 -11.859 2.501 5.776 1.00 0.00 N ATOM 700 CZ ARG A 45 -12.703 1.585 5.256 1.00 0.00 C ATOM 701 NH1 ARG A 45 -12.399 0.948 4.105 1.00 0.00 N ATOM 702 NH2 ARG A 45 -13.831 1.320 5.890 1.00 0.00 N ATOM 0 H ARG A 45 -7.189 4.447 6.606 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.955 6.739 5.298 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.804 5.421 4.418 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.378 4.407 4.528 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.202 3.495 6.714 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.633 4.499 6.589 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.734 3.252 4.149 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.922 2.009 5.080 1.00 0.00 H new ATOM 0 HE ARG A 45 -12.127 2.958 6.647 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.526 1.158 3.621 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.043 0.257 3.719 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.053 1.805 6.759 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.480 0.630 5.510 1.00 0.00 H new ATOM 716 N ILE A 46 -9.746 6.099 7.977 1.00 0.00 N ATOM 717 CA ILE A 46 -10.715 6.652 8.908 1.00 0.00 C ATOM 718 C ILE A 46 -10.214 8.006 9.415 1.00 0.00 C ATOM 719 O ILE A 46 -10.754 9.049 9.048 1.00 0.00 O ATOM 720 CB ILE A 46 -11.016 5.651 10.025 1.00 0.00 C ATOM 721 CG1 ILE A 46 -12.063 4.629 9.577 1.00 0.00 C ATOM 722 CG2 ILE A 46 -11.431 6.371 11.310 1.00 0.00 C ATOM 723 CD1 ILE A 46 -13.452 5.266 9.495 1.00 0.00 C ATOM 0 H ILE A 46 -9.323 5.220 8.274 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.666 6.831 8.406 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.102 5.100 10.246 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -11.787 4.223 8.604 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -12.083 3.793 10.276 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.639 5.636 12.088 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.624 7.026 11.637 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -12.326 6.964 11.122 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -14.177 4.518 9.174 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -13.735 5.649 10.475 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.435 6.086 8.777 1.00 0.00 H new ATOM 735 N TYR A 47 -9.187 7.946 10.250 1.00 0.00 N ATOM 736 CA TYR A 47 -8.607 9.155 10.810 1.00 0.00 C ATOM 737 C TYR A 47 -8.586 10.283 9.777 1.00 0.00 C ATOM 738 O TYR A 47 -8.925 11.423 10.091 1.00 0.00 O ATOM 739 CB TYR A 47 -7.168 8.797 11.186 1.00 0.00 C ATOM 740 CG TYR A 47 -6.883 8.857 12.688 1.00 0.00 C ATOM 741 CD1 TYR A 47 -7.482 7.953 13.541 1.00 0.00 C ATOM 742 CD2 TYR A 47 -6.028 9.817 13.190 1.00 0.00 C ATOM 743 CE1 TYR A 47 -7.215 8.010 14.955 1.00 0.00 C ATOM 744 CE2 TYR A 47 -5.760 9.874 14.604 1.00 0.00 C ATOM 745 CZ TYR A 47 -6.367 8.967 15.416 1.00 0.00 C ATOM 746 OH TYR A 47 -6.114 9.021 16.752 1.00 0.00 O ATOM 0 H TYR A 47 -8.742 7.079 10.552 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.189 9.500 11.665 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.948 7.792 10.825 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.489 9.476 10.671 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.152 7.202 13.148 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -5.560 10.525 12.523 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.678 7.309 15.633 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.093 10.620 15.010 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.490 9.753 16.937 1.00 0.00 H new ATOM 756 N ARG A 48 -8.184 9.926 8.566 1.00 0.00 N ATOM 757 CA ARG A 48 -8.115 10.894 7.485 1.00 0.00 C ATOM 758 C ARG A 48 -9.506 11.454 7.183 1.00 0.00 C ATOM 759 O ARG A 48 -9.726 12.661 7.270 1.00 0.00 O ATOM 760 CB ARG A 48 -7.541 10.262 6.215 1.00 0.00 C ATOM 761 CG ARG A 48 -7.070 11.336 5.232 1.00 0.00 C ATOM 762 CD ARG A 48 -6.555 10.706 3.937 1.00 0.00 C ATOM 763 NE ARG A 48 -7.645 10.640 2.938 1.00 0.00 N ATOM 764 CZ ARG A 48 -8.216 11.723 2.368 1.00 0.00 C ATOM 765 NH1 ARG A 48 -7.803 12.966 2.695 1.00 0.00 N ATOM 766 NH2 ARG A 48 -9.183 11.548 1.487 1.00 0.00 N ATOM 0 H ARG A 48 -7.903 8.980 8.310 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.456 11.701 7.806 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -6.707 9.610 6.474 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.298 9.637 5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.893 12.015 5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.280 11.932 5.690 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.724 11.292 3.543 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.173 9.705 4.137 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.986 9.719 2.663 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.055 13.092 3.377 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.239 13.779 2.260 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.489 10.605 1.246 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.625 12.356 1.047 1.00 0.00 H new ATOM 780 N LEU A 49 -10.410 10.550 6.835 1.00 0.00 N ATOM 781 CA LEU A 49 -11.775 10.939 6.521 1.00 0.00 C ATOM 782 C LEU A 49 -12.322 11.820 7.645 1.00 0.00 C ATOM 783 O LEU A 49 -12.639 12.988 7.425 1.00 0.00 O ATOM 784 CB LEU A 49 -12.631 9.704 6.235 1.00 0.00 C ATOM 785 CG LEU A 49 -13.926 9.950 5.459 1.00 0.00 C ATOM 786 CD1 LEU A 49 -13.743 9.639 3.972 1.00 0.00 C ATOM 787 CD2 LEU A 49 -15.090 9.166 6.070 1.00 0.00 C ATOM 0 H LEU A 49 -10.224 9.550 6.763 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.801 11.535 5.609 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.027 8.989 5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -12.884 9.234 7.185 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.175 11.008 5.538 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -14.679 9.822 3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -12.962 10.279 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -13.457 8.594 3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.998 9.359 5.499 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -14.864 8.100 6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.237 9.480 7.103 1.00 0.00 H new ATOM 799 N ARG A 50 -12.415 11.227 8.826 1.00 0.00 N ATOM 800 CA ARG A 50 -12.918 11.944 9.986 1.00 0.00 C ATOM 801 C ARG A 50 -11.985 13.103 10.339 1.00 0.00 C ATOM 802 O ARG A 50 -10.936 13.271 9.720 1.00 0.00 O ATOM 803 CB ARG A 50 -13.047 11.014 11.194 1.00 0.00 C ATOM 804 CG ARG A 50 -14.515 10.803 11.569 1.00 0.00 C ATOM 805 CD ARG A 50 -15.016 9.443 11.077 1.00 0.00 C ATOM 806 NE ARG A 50 -15.928 9.626 9.926 1.00 0.00 N ATOM 807 CZ ARG A 50 -17.060 10.360 9.967 1.00 0.00 C ATOM 808 NH1 ARG A 50 -17.430 10.987 11.104 1.00 0.00 N ATOM 809 NH2 ARG A 50 -17.801 10.455 8.879 1.00 0.00 N ATOM 0 H ARG A 50 -12.151 10.258 9.005 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.905 12.332 9.734 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.584 10.053 10.969 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -12.508 11.437 12.042 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.631 10.868 12.651 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.123 11.597 11.135 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.171 8.818 10.787 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.534 8.924 11.883 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.686 9.169 9.047 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.852 10.908 11.941 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -18.287 11.540 11.126 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.515 9.978 8.024 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -18.659 11.006 8.893 1.00 0.00 H new ATOM 1045 N ARG A 65 4.960 13.294 7.197 1.00 0.00 N ATOM 1046 CA ARG A 65 5.809 12.142 6.945 1.00 0.00 C ATOM 1047 C ARG A 65 4.982 10.855 6.983 1.00 0.00 C ATOM 1048 O ARG A 65 5.051 10.041 6.063 1.00 0.00 O ATOM 1049 CB ARG A 65 6.933 12.049 7.978 1.00 0.00 C ATOM 1050 CG ARG A 65 8.233 11.566 7.333 1.00 0.00 C ATOM 1051 CD ARG A 65 8.693 10.243 7.948 1.00 0.00 C ATOM 1052 NE ARG A 65 9.906 10.460 8.767 1.00 0.00 N ATOM 1053 CZ ARG A 65 11.165 10.408 8.282 1.00 0.00 C ATOM 1054 NH1 ARG A 65 11.387 10.146 6.977 1.00 0.00 N ATOM 1055 NH2 ARG A 65 12.177 10.618 9.104 1.00 0.00 N ATOM 0 HA ARG A 65 6.250 12.265 5.956 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.091 13.025 8.437 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.643 11.365 8.776 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.086 11.441 6.260 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.009 12.320 7.462 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.898 9.823 8.565 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.901 9.519 7.160 1.00 0.00 H new ATOM 0 HE ARG A 65 9.784 10.661 9.759 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.600 9.985 6.348 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.342 10.109 6.620 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.001 10.816 10.089 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.134 10.582 8.754 1.00 0.00 H new ATOM 1069 N VAL A 66 4.220 10.711 8.057 1.00 0.00 N ATOM 1070 CA VAL A 66 3.381 9.537 8.227 1.00 0.00 C ATOM 1071 C VAL A 66 2.357 9.478 7.092 1.00 0.00 C ATOM 1072 O VAL A 66 2.431 8.604 6.229 1.00 0.00 O ATOM 1073 CB VAL A 66 2.735 9.552 9.614 1.00 0.00 C ATOM 1074 CG1 VAL A 66 1.716 8.419 9.757 1.00 0.00 C ATOM 1075 CG2 VAL A 66 3.797 9.476 10.714 1.00 0.00 C ATOM 0 H VAL A 66 4.166 11.388 8.818 1.00 0.00 H new ATOM 0 HA VAL A 66 3.980 8.628 8.172 1.00 0.00 H new ATOM 0 HB VAL A 66 2.203 10.497 9.726 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.272 8.453 10.752 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.934 8.536 9.006 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.215 7.461 9.615 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.312 9.488 11.690 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.369 8.554 10.605 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.468 10.331 10.632 1.00 0.00 H new ATOM 1085 N ALA A 67 1.425 10.419 7.129 1.00 0.00 N ATOM 1086 CA ALA A 67 0.387 10.485 6.114 1.00 0.00 C ATOM 1087 C ALA A 67 1.001 10.193 4.743 1.00 0.00 C ATOM 1088 O ALA A 67 0.565 9.278 4.046 1.00 0.00 O ATOM 1089 CB ALA A 67 -0.294 11.854 6.168 1.00 0.00 C ATOM 0 H ALA A 67 1.367 11.142 7.846 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.379 9.732 6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.072 11.903 5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.739 12.000 7.152 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.444 12.635 5.984 1.00 0.00 H new ATOM 1095 N ALA A 68 2.004 10.987 4.398 1.00 0.00 N ATOM 1096 CA ALA A 68 2.682 10.826 3.123 1.00 0.00 C ATOM 1097 C ALA A 68 2.959 9.340 2.883 1.00 0.00 C ATOM 1098 O ALA A 68 2.380 8.735 1.982 1.00 0.00 O ATOM 1099 CB ALA A 68 3.960 11.666 3.115 1.00 0.00 C ATOM 0 H ALA A 68 2.364 11.744 4.980 1.00 0.00 H new ATOM 0 HA ALA A 68 2.054 11.181 2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.469 11.545 2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.706 12.716 3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.617 11.336 3.920 1.00 0.00 H new ATOM 1105 N GLN A 69 3.844 8.795 3.705 1.00 0.00 N ATOM 1106 CA GLN A 69 4.205 7.392 3.593 1.00 0.00 C ATOM 1107 C GLN A 69 2.948 6.531 3.448 1.00 0.00 C ATOM 1108 O GLN A 69 2.736 5.905 2.411 1.00 0.00 O ATOM 1109 CB GLN A 69 5.042 6.944 4.792 1.00 0.00 C ATOM 1110 CG GLN A 69 6.447 6.527 4.354 1.00 0.00 C ATOM 1111 CD GLN A 69 7.478 7.595 4.725 1.00 0.00 C ATOM 1112 OE1 GLN A 69 7.252 8.445 5.571 1.00 0.00 O ATOM 1113 NE2 GLN A 69 8.618 7.506 4.047 1.00 0.00 N ATOM 0 H GLN A 69 4.322 9.300 4.451 1.00 0.00 H new ATOM 0 HA GLN A 69 4.815 7.264 2.699 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.109 7.755 5.517 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.550 6.110 5.292 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.713 5.581 4.826 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.462 6.361 3.277 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.742 6.770 3.352 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.369 8.174 4.222 1.00 0.00 H new ATOM 1122 N ALA A 70 2.148 6.527 4.504 1.00 0.00 N ATOM 1123 CA ALA A 70 0.918 5.753 4.508 1.00 0.00 C ATOM 1124 C ALA A 70 0.234 5.884 3.146 1.00 0.00 C ATOM 1125 O ALA A 70 -0.441 4.960 2.695 1.00 0.00 O ATOM 1126 CB ALA A 70 0.024 6.221 5.658 1.00 0.00 C ATOM 0 H ALA A 70 2.327 7.047 5.363 1.00 0.00 H new ATOM 0 HA ALA A 70 1.130 4.696 4.670 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.899 5.641 5.661 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.545 6.079 6.605 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.212 7.277 5.529 1.00 0.00 H new ATOM 1132 N CYS A 71 0.431 7.040 2.530 1.00 0.00 N ATOM 1133 CA CYS A 71 -0.159 7.304 1.228 1.00 0.00 C ATOM 1134 C CYS A 71 0.542 6.420 0.195 1.00 0.00 C ATOM 1135 O CYS A 71 -0.109 5.659 -0.519 1.00 0.00 O ATOM 1136 CB CYS A 71 -0.077 8.787 0.860 1.00 0.00 C ATOM 1137 SG CYS A 71 -1.572 9.285 -0.071 1.00 0.00 S ATOM 0 H CYS A 71 0.991 7.805 2.908 1.00 0.00 H new ATOM 0 HA CYS A 71 -1.221 7.061 1.251 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.016 9.390 1.763 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.814 8.972 0.260 1.00 0.00 H new ATOM 0 HG CYS A 71 -1.493 10.546 -0.376 1.00 0.00 H new ATOM 1143 N ALA A 72 1.859 6.551 0.148 1.00 0.00 N ATOM 1144 CA ALA A 72 2.655 5.773 -0.787 1.00 0.00 C ATOM 1145 C ALA A 72 2.456 4.283 -0.502 1.00 0.00 C ATOM 1146 O ALA A 72 1.886 3.562 -1.320 1.00 0.00 O ATOM 1147 CB ALA A 72 4.122 6.195 -0.683 1.00 0.00 C ATOM 0 H ALA A 72 2.395 7.184 0.742 1.00 0.00 H new ATOM 0 HA ALA A 72 2.334 5.959 -1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.719 5.612 -1.384 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.214 7.254 -0.922 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.480 6.020 0.332 1.00 0.00 H new ATOM 1153 N VAL A 73 2.938 3.865 0.659 1.00 0.00 N ATOM 1154 CA VAL A 73 2.820 2.474 1.061 1.00 0.00 C ATOM 1155 C VAL A 73 1.366 2.023 0.903 1.00 0.00 C ATOM 1156 O VAL A 73 1.103 0.867 0.575 1.00 0.00 O ATOM 1157 CB VAL A 73 3.350 2.294 2.485 1.00 0.00 C ATOM 1158 CG1 VAL A 73 4.875 2.411 2.521 1.00 0.00 C ATOM 1159 CG2 VAL A 73 2.700 3.295 3.443 1.00 0.00 C ATOM 0 H VAL A 73 3.411 4.465 1.334 1.00 0.00 H new ATOM 0 HA VAL A 73 3.429 1.838 0.419 1.00 0.00 H new ATOM 0 HB VAL A 73 3.083 1.291 2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.226 2.279 3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.314 1.642 1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.173 3.395 2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.094 3.145 4.448 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.921 4.310 3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.621 3.143 3.450 1.00 0.00 H new ATOM 1169 N GLY A 74 0.460 2.960 1.144 1.00 0.00 N ATOM 1170 CA GLY A 74 -0.960 2.673 1.033 1.00 0.00 C ATOM 1171 C GLY A 74 -1.330 2.285 -0.400 1.00 0.00 C ATOM 1172 O GLY A 74 -2.023 1.292 -0.619 1.00 0.00 O ATOM 0 H GLY A 74 0.682 3.918 1.416 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.225 1.863 1.713 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.536 3.547 1.337 1.00 0.00 H new ATOM 1176 N ALA A 75 -0.851 3.088 -1.339 1.00 0.00 N ATOM 1177 CA ALA A 75 -1.123 2.841 -2.745 1.00 0.00 C ATOM 1178 C ALA A 75 -0.535 1.486 -3.143 1.00 0.00 C ATOM 1179 O ALA A 75 -1.252 0.612 -3.628 1.00 0.00 O ATOM 1180 CB ALA A 75 -0.560 3.990 -3.584 1.00 0.00 C ATOM 0 H ALA A 75 -0.276 3.910 -1.154 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.197 2.801 -2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.764 3.805 -4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.031 4.926 -3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.517 4.060 -3.430 1.00 0.00 H new ATOM 1186 N ILE A 76 0.765 1.353 -2.924 1.00 0.00 N ATOM 1187 CA ILE A 76 1.458 0.120 -3.254 1.00 0.00 C ATOM 1188 C ILE A 76 0.744 -1.056 -2.584 1.00 0.00 C ATOM 1189 O ILE A 76 0.141 -1.888 -3.261 1.00 0.00 O ATOM 1190 CB ILE A 76 2.941 0.225 -2.893 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.655 1.234 -3.794 1.00 0.00 C ATOM 1192 CG2 ILE A 76 3.613 -1.150 -2.927 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.392 2.286 -2.962 1.00 0.00 C ATOM 0 H ILE A 76 1.357 2.080 -2.522 1.00 0.00 H new ATOM 0 HA ILE A 76 1.427 -0.058 -4.329 1.00 0.00 H new ATOM 0 HB ILE A 76 3.018 0.596 -1.871 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.363 0.714 -4.439 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.930 1.722 -4.445 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.666 -1.047 -2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.125 -1.811 -2.211 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.526 -1.573 -3.928 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.891 2.991 -3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.678 2.821 -2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.133 1.796 -2.330 1.00 0.00 H new ATOM 1205 N MET A 77 0.835 -1.088 -1.263 1.00 0.00 N ATOM 1206 CA MET A 77 0.206 -2.148 -0.494 1.00 0.00 C ATOM 1207 C MET A 77 -1.220 -2.409 -0.986 1.00 0.00 C ATOM 1208 O MET A 77 -1.519 -3.492 -1.485 1.00 0.00 O ATOM 1209 CB MET A 77 0.172 -1.756 0.984 1.00 0.00 C ATOM 1210 CG MET A 77 -0.085 -2.977 1.869 1.00 0.00 C ATOM 1211 SD MET A 77 0.738 -2.777 3.440 1.00 0.00 S ATOM 1212 CE MET A 77 2.296 -3.570 3.077 1.00 0.00 C ATOM 0 H MET A 77 1.335 -0.396 -0.705 1.00 0.00 H new ATOM 0 HA MET A 77 0.789 -3.060 -0.623 1.00 0.00 H new ATOM 0 HB2 MET A 77 1.118 -1.293 1.263 1.00 0.00 H new ATOM 0 HB3 MET A 77 -0.608 -1.012 1.149 1.00 0.00 H new ATOM 0 HG2 MET A 77 -1.156 -3.105 2.024 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.275 -3.878 1.373 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.937 -3.534 3.958 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.119 -4.609 2.799 1.00 0.00 H new ATOM 0 HE3 MET A 77 2.785 -3.052 2.252 1.00 0.00 H new ATOM 1222 N LEU A 78 -2.061 -1.397 -0.827 1.00 0.00 N ATOM 1223 CA LEU A 78 -3.447 -1.504 -1.249 1.00 0.00 C ATOM 1224 C LEU A 78 -3.514 -2.244 -2.586 1.00 0.00 C ATOM 1225 O LEU A 78 -4.042 -3.353 -2.660 1.00 0.00 O ATOM 1226 CB LEU A 78 -4.106 -0.123 -1.276 1.00 0.00 C ATOM 1227 CG LEU A 78 -5.592 -0.096 -1.641 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -6.447 -0.641 -0.495 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -6.027 1.308 -2.064 1.00 0.00 C ATOM 0 H LEU A 78 -1.809 -0.500 -0.412 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.020 -2.092 -0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.985 0.335 -0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.566 0.502 -1.988 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.746 -0.752 -2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.499 -0.611 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.158 -1.670 -0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.294 -0.030 0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.087 1.299 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.856 2.005 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.448 1.622 -2.933 1.00 0.00 H new ATOM 1241 N GLY A 79 -2.971 -1.601 -3.609 1.00 0.00 N ATOM 1242 CA GLY A 79 -2.963 -2.185 -4.940 1.00 0.00 C ATOM 1243 C GLY A 79 -2.712 -3.693 -4.876 1.00 0.00 C ATOM 1244 O GLY A 79 -3.451 -4.474 -5.473 1.00 0.00 O ATOM 0 H GLY A 79 -2.534 -0.682 -3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.917 -1.992 -5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.191 -1.710 -5.545 1.00 0.00 H new ATOM 1248 N ALA A 80 -1.668 -4.057 -4.146 1.00 0.00 N ATOM 1249 CA ALA A 80 -1.311 -5.457 -3.996 1.00 0.00 C ATOM 1250 C ALA A 80 -2.467 -6.204 -3.326 1.00 0.00 C ATOM 1251 O ALA A 80 -3.102 -7.056 -3.947 1.00 0.00 O ATOM 1252 CB ALA A 80 -0.007 -5.570 -3.203 1.00 0.00 C ATOM 0 H ALA A 80 -1.058 -3.406 -3.652 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.141 -5.916 -4.970 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.261 -6.621 -3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.789 -5.048 -3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.140 -5.122 -2.218 1.00 0.00 H new ATOM 1258 N VAL A 81 -2.704 -5.859 -2.070 1.00 0.00 N ATOM 1259 CA VAL A 81 -3.771 -6.486 -1.310 1.00 0.00 C ATOM 1260 C VAL A 81 -4.996 -6.663 -2.209 1.00 0.00 C ATOM 1261 O VAL A 81 -5.343 -7.784 -2.578 1.00 0.00 O ATOM 1262 CB VAL A 81 -4.068 -5.669 -0.051 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -5.330 -6.178 0.649 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -2.871 -5.677 0.903 1.00 0.00 C ATOM 0 H VAL A 81 -2.175 -5.153 -1.559 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.467 -7.477 -0.974 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.247 -4.638 -0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.518 -5.580 1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.180 -6.096 -0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.192 -7.221 0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.108 -5.089 1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.647 -6.702 1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.004 -5.245 0.403 1.00 0.00 H new ATOM 1274 N TYR A 82 -5.617 -5.540 -2.538 1.00 0.00 N ATOM 1275 CA TYR A 82 -6.796 -5.557 -3.387 1.00 0.00 C ATOM 1276 C TYR A 82 -6.657 -6.603 -4.496 1.00 0.00 C ATOM 1277 O TYR A 82 -7.461 -7.529 -4.583 1.00 0.00 O ATOM 1278 CB TYR A 82 -6.878 -4.167 -4.022 1.00 0.00 C ATOM 1279 CG TYR A 82 -8.287 -3.768 -4.465 1.00 0.00 C ATOM 1280 CD1 TYR A 82 -9.137 -3.137 -3.579 1.00 0.00 C ATOM 1281 CD2 TYR A 82 -8.709 -4.039 -5.751 1.00 0.00 C ATOM 1282 CE1 TYR A 82 -10.463 -2.762 -3.996 1.00 0.00 C ATOM 1283 CE2 TYR A 82 -10.035 -3.663 -6.168 1.00 0.00 C ATOM 1284 CZ TYR A 82 -10.846 -3.043 -5.270 1.00 0.00 C ATOM 1285 OH TYR A 82 -12.099 -2.688 -5.664 1.00 0.00 O ATOM 0 H TYR A 82 -5.326 -4.612 -2.232 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.684 -5.805 -2.806 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.510 -3.430 -3.308 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.213 -4.133 -4.885 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.807 -2.925 -2.573 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.045 -4.533 -6.444 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -11.138 -2.269 -3.312 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.378 -3.869 -7.171 1.00 0.00 H new ATOM 0 HH TYR A 82 -12.234 -2.950 -6.599 1.00 0.00 H new ATOM 1295 N THR A 83 -5.632 -6.418 -5.315 1.00 0.00 N ATOM 1296 CA THR A 83 -5.379 -7.334 -6.414 1.00 0.00 C ATOM 1297 C THR A 83 -5.475 -8.784 -5.933 1.00 0.00 C ATOM 1298 O THR A 83 -5.998 -9.643 -6.641 1.00 0.00 O ATOM 1299 CB THR A 83 -4.017 -6.983 -7.017 1.00 0.00 C ATOM 1300 OG1 THR A 83 -4.211 -5.690 -7.583 1.00 0.00 O ATOM 1301 CG2 THR A 83 -3.663 -7.865 -8.216 1.00 0.00 C ATOM 0 H THR A 83 -4.968 -5.648 -5.240 1.00 0.00 H new ATOM 0 HA THR A 83 -6.133 -7.233 -7.195 1.00 0.00 H new ATOM 0 HB THR A 83 -3.246 -7.082 -6.253 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.799 -5.015 -7.005 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.688 -7.574 -8.606 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.633 -8.909 -7.903 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.416 -7.741 -8.994 1.00 0.00 H new ATOM 1309 N MET A 84 -4.962 -9.011 -4.733 1.00 0.00 N ATOM 1310 CA MET A 84 -4.983 -10.341 -4.149 1.00 0.00 C ATOM 1311 C MET A 84 -6.396 -10.720 -3.700 1.00 0.00 C ATOM 1312 O MET A 84 -7.013 -11.618 -4.273 1.00 0.00 O ATOM 1313 CB MET A 84 -4.036 -10.387 -2.948 1.00 0.00 C ATOM 1314 CG MET A 84 -3.350 -11.751 -2.843 1.00 0.00 C ATOM 1315 SD MET A 84 -2.101 -11.905 -4.108 1.00 0.00 S ATOM 1316 CE MET A 84 -0.650 -11.466 -3.167 1.00 0.00 C ATOM 0 H MET A 84 -4.529 -8.296 -4.149 1.00 0.00 H new ATOM 0 HA MET A 84 -4.658 -11.055 -4.906 1.00 0.00 H new ATOM 0 HB2 MET A 84 -3.284 -9.604 -3.043 1.00 0.00 H new ATOM 0 HB3 MET A 84 -4.593 -10.185 -2.033 1.00 0.00 H new ATOM 0 HG2 MET A 84 -2.898 -11.865 -1.858 1.00 0.00 H new ATOM 0 HG3 MET A 84 -4.087 -12.547 -2.949 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.229 -11.511 -3.811 1.00 0.00 H new ATOM 0 HE2 MET A 84 -0.762 -10.455 -2.776 1.00 0.00 H new ATOM 0 HE3 MET A 84 -0.529 -12.164 -2.338 1.00 0.00 H new ATOM 1326 N TYR A 85 -6.867 -10.018 -2.681 1.00 0.00 N ATOM 1327 CA TYR A 85 -8.195 -10.270 -2.149 1.00 0.00 C ATOM 1328 C TYR A 85 -9.178 -10.615 -3.269 1.00 0.00 C ATOM 1329 O TYR A 85 -10.024 -11.494 -3.109 1.00 0.00 O ATOM 1330 CB TYR A 85 -8.637 -8.965 -1.483 1.00 0.00 C ATOM 1331 CG TYR A 85 -9.393 -9.163 -0.167 1.00 0.00 C ATOM 1332 CD1 TYR A 85 -10.501 -9.984 -0.125 1.00 0.00 C ATOM 1333 CD2 TYR A 85 -8.966 -8.520 0.977 1.00 0.00 C ATOM 1334 CE1 TYR A 85 -11.212 -10.170 1.114 1.00 0.00 C ATOM 1335 CE2 TYR A 85 -9.677 -8.706 2.215 1.00 0.00 C ATOM 1336 CZ TYR A 85 -10.765 -9.521 2.223 1.00 0.00 C ATOM 1337 OH TYR A 85 -11.436 -9.697 3.392 1.00 0.00 O ATOM 0 H TYR A 85 -6.353 -9.274 -2.209 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.177 -11.109 -1.454 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.758 -8.349 -1.296 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.272 -8.413 -2.175 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -10.835 -10.487 -1.020 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -8.099 -7.877 0.944 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -12.080 -10.810 1.161 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.353 -8.209 3.117 1.00 0.00 H new ATOM 0 HH TYR A 85 -11.004 -9.174 4.099 1.00 0.00 H new ATOM 1347 N SER A 86 -9.035 -9.905 -4.379 1.00 0.00 N ATOM 1348 CA SER A 86 -9.899 -10.126 -5.526 1.00 0.00 C ATOM 1349 C SER A 86 -9.427 -11.352 -6.309 1.00 0.00 C ATOM 1350 O SER A 86 -10.179 -12.311 -6.479 1.00 0.00 O ATOM 1351 CB SER A 86 -9.932 -8.896 -6.435 1.00 0.00 C ATOM 1352 OG SER A 86 -11.253 -8.386 -6.596 1.00 0.00 O ATOM 0 H SER A 86 -8.333 -9.176 -4.508 1.00 0.00 H new ATOM 0 HA SER A 86 -10.911 -10.303 -5.162 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.292 -8.119 -6.017 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.522 -9.156 -7.411 1.00 0.00 H new ATOM 0 HG SER A 86 -11.231 -7.600 -7.181 1.00 0.00 H new ATOM 1358 N ASP A 87 -8.185 -11.282 -6.764 1.00 0.00 N ATOM 1359 CA ASP A 87 -7.604 -12.375 -7.525 1.00 0.00 C ATOM 1360 C ASP A 87 -7.994 -13.705 -6.877 1.00 0.00 C ATOM 1361 O ASP A 87 -8.084 -14.727 -7.556 1.00 0.00 O ATOM 1362 CB ASP A 87 -6.077 -12.285 -7.539 1.00 0.00 C ATOM 1363 CG ASP A 87 -5.355 -13.597 -7.857 1.00 0.00 C ATOM 1364 OD1 ASP A 87 -5.393 -14.553 -7.069 1.00 0.00 O ATOM 1365 OD2 ASP A 87 -4.725 -13.613 -8.982 1.00 0.00 O ATOM 0 H ASP A 87 -7.565 -10.485 -6.620 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.978 -12.312 -8.547 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.779 -11.536 -8.273 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.740 -11.929 -6.566 1.00 0.00 H new ATOM 1370 N TYR A 88 -8.214 -13.649 -5.572 1.00 0.00 N ATOM 1371 CA TYR A 88 -8.592 -14.837 -4.825 1.00 0.00 C ATOM 1372 C TYR A 88 -9.497 -15.745 -5.661 1.00 0.00 C ATOM 1373 O TYR A 88 -9.386 -16.968 -5.595 1.00 0.00 O ATOM 1374 CB TYR A 88 -9.373 -14.339 -3.608 1.00 0.00 C ATOM 1375 CG TYR A 88 -9.438 -15.344 -2.457 1.00 0.00 C ATOM 1376 CD1 TYR A 88 -10.269 -16.443 -2.546 1.00 0.00 C ATOM 1377 CD2 TYR A 88 -8.666 -15.153 -1.329 1.00 0.00 C ATOM 1378 CE1 TYR A 88 -10.330 -17.389 -1.462 1.00 0.00 C ATOM 1379 CE2 TYR A 88 -8.728 -16.099 -0.245 1.00 0.00 C ATOM 1380 CZ TYR A 88 -9.557 -17.171 -0.365 1.00 0.00 C ATOM 1381 OH TYR A 88 -9.615 -18.064 0.658 1.00 0.00 O ATOM 0 H TYR A 88 -8.138 -12.800 -5.012 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.709 -15.413 -4.548 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.915 -13.418 -3.247 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.388 -14.090 -3.917 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.873 -16.593 -3.428 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.015 -14.294 -1.259 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -10.976 -18.253 -1.519 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -8.130 -15.961 0.643 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.009 -17.781 1.374 1.00 0.00 H new ATOM 1391 N VAL A 89 -10.372 -15.111 -6.427 1.00 0.00 N ATOM 1392 CA VAL A 89 -11.295 -15.846 -7.274 1.00 0.00 C ATOM 1393 C VAL A 89 -10.547 -16.986 -7.969 1.00 0.00 C ATOM 1394 O VAL A 89 -10.443 -18.085 -7.428 1.00 0.00 O ATOM 1395 CB VAL A 89 -11.977 -14.892 -8.257 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -13.233 -14.274 -7.640 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -11.007 -13.807 -8.730 1.00 0.00 C ATOM 0 H VAL A 89 -10.461 -14.096 -6.479 1.00 0.00 H new ATOM 0 HA VAL A 89 -12.087 -16.295 -6.675 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.283 -15.471 -9.128 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -13.698 -13.600 -8.360 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -13.936 -15.065 -7.376 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -12.961 -13.716 -6.744 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.517 -13.142 -9.428 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.657 -13.233 -7.872 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.156 -14.272 -9.228 1.00 0.00 H new