USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=15 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 USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.043) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 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= -0.0931 K(o=-0.093,f=-0.61) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -151:sc= -0.0279 (180deg=-0.743) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 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 82:sc= 0.777 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N CYS A 16 7.904 -4.509 -10.713 1.00 0.00 N ATOM 245 CA CYS A 16 6.594 -4.949 -10.266 1.00 0.00 C ATOM 246 C CYS A 16 6.771 -5.755 -8.978 1.00 0.00 C ATOM 247 O CYS A 16 6.589 -5.229 -7.881 1.00 0.00 O ATOM 248 CB CYS A 16 5.867 -5.752 -11.346 1.00 0.00 C ATOM 249 SG CYS A 16 5.313 -4.637 -12.688 1.00 0.00 S ATOM 0 HA CYS A 16 5.965 -4.081 -10.067 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.529 -6.518 -11.749 1.00 0.00 H new ATOM 0 HB3 CYS A 16 5.010 -6.267 -10.913 1.00 0.00 H new ATOM 0 HG CYS A 16 4.699 -5.329 -13.601 1.00 0.00 H new ATOM 255 N VAL A 17 7.126 -7.020 -9.154 1.00 0.00 N ATOM 256 CA VAL A 17 7.330 -7.904 -8.019 1.00 0.00 C ATOM 257 C VAL A 17 8.771 -8.420 -8.033 1.00 0.00 C ATOM 258 O VAL A 17 9.577 -8.041 -7.185 1.00 0.00 O ATOM 259 CB VAL A 17 6.293 -9.029 -8.039 1.00 0.00 C ATOM 260 CG1 VAL A 17 6.699 -10.166 -7.099 1.00 0.00 C ATOM 261 CG2 VAL A 17 4.902 -8.498 -7.687 1.00 0.00 C ATOM 0 H VAL A 17 7.277 -7.453 -10.065 1.00 0.00 H new ATOM 0 HA VAL A 17 7.186 -7.364 -7.083 1.00 0.00 H new ATOM 0 HB VAL A 17 6.253 -9.430 -9.052 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.945 -10.952 -7.132 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.661 -10.572 -7.413 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.781 -9.785 -6.081 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.184 -9.317 -7.708 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.922 -8.059 -6.690 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.608 -7.739 -8.412 1.00 0.00 H new ATOM 271 N SER A 18 9.050 -9.275 -9.005 1.00 0.00 N ATOM 272 CA SER A 18 10.379 -9.846 -9.141 1.00 0.00 C ATOM 273 C SER A 18 10.786 -10.541 -7.839 1.00 0.00 C ATOM 274 O SER A 18 10.090 -10.432 -6.830 1.00 0.00 O ATOM 275 CB SER A 18 11.405 -8.773 -9.512 1.00 0.00 C ATOM 276 OG SER A 18 12.040 -9.050 -10.757 1.00 0.00 O ATOM 0 H SER A 18 8.378 -9.587 -9.706 1.00 0.00 H new ATOM 0 HA SER A 18 10.354 -10.581 -9.946 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.912 -7.802 -9.565 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.159 -8.705 -8.728 1.00 0.00 H new ATOM 0 HG SER A 18 12.686 -8.342 -10.959 1.00 0.00 H new ATOM 282 N GLU A 19 11.910 -11.239 -7.905 1.00 0.00 N ATOM 283 CA GLU A 19 12.417 -11.951 -6.744 1.00 0.00 C ATOM 284 C GLU A 19 12.531 -11.004 -5.548 1.00 0.00 C ATOM 285 O GLU A 19 12.562 -11.447 -4.401 1.00 0.00 O ATOM 286 CB GLU A 19 13.762 -12.612 -7.051 1.00 0.00 C ATOM 287 CG GLU A 19 14.780 -11.580 -7.541 1.00 0.00 C ATOM 288 CD GLU A 19 16.145 -12.229 -7.782 1.00 0.00 C ATOM 289 OE1 GLU A 19 16.531 -13.152 -7.050 1.00 0.00 O ATOM 290 OE2 GLU A 19 16.812 -11.742 -8.773 1.00 0.00 O ATOM 0 H GLU A 19 12.484 -11.327 -8.744 1.00 0.00 H new ATOM 0 HA GLU A 19 11.711 -12.741 -6.490 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.141 -13.106 -6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.628 -13.384 -7.809 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.423 -11.121 -8.463 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.877 -10.782 -6.805 1.00 0.00 H new ATOM 297 N LYS A 20 12.590 -9.717 -5.857 1.00 0.00 N ATOM 298 CA LYS A 20 12.701 -8.703 -4.822 1.00 0.00 C ATOM 299 C LYS A 20 11.486 -8.791 -3.896 1.00 0.00 C ATOM 300 O LYS A 20 11.609 -9.197 -2.742 1.00 0.00 O ATOM 301 CB LYS A 20 12.899 -7.320 -5.446 1.00 0.00 C ATOM 302 CG LYS A 20 14.077 -6.590 -4.796 1.00 0.00 C ATOM 303 CD LYS A 20 14.134 -5.130 -5.250 1.00 0.00 C ATOM 304 CE LYS A 20 14.733 -4.240 -4.159 1.00 0.00 C ATOM 305 NZ LYS A 20 16.142 -4.613 -3.902 1.00 0.00 N ATOM 0 H LYS A 20 12.563 -9.353 -6.809 1.00 0.00 H new ATOM 0 HA LYS A 20 13.584 -8.880 -4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.075 -7.422 -6.517 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.990 -6.730 -5.327 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.983 -6.634 -3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.009 -7.092 -5.056 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.732 -5.051 -6.158 1.00 0.00 H new ATOM 0 HD3 LYS A 20 13.131 -4.783 -5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.677 -3.195 -4.463 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.152 -4.337 -3.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.559 -3.946 -3.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.180 -5.576 -3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 16.678 -4.579 -4.793 1.00 0.00 H new ATOM 319 N LEU A 21 10.340 -8.405 -4.438 1.00 0.00 N ATOM 320 CA LEU A 21 9.104 -8.435 -3.675 1.00 0.00 C ATOM 321 C LEU A 21 8.799 -9.877 -3.262 1.00 0.00 C ATOM 322 O LEU A 21 8.462 -10.138 -2.109 1.00 0.00 O ATOM 323 CB LEU A 21 7.972 -7.768 -4.461 1.00 0.00 C ATOM 324 CG LEU A 21 7.337 -6.539 -3.809 1.00 0.00 C ATOM 325 CD1 LEU A 21 6.747 -6.887 -2.441 1.00 0.00 C ATOM 326 CD2 LEU A 21 8.337 -5.384 -3.724 1.00 0.00 C ATOM 0 H LEU A 21 10.242 -8.070 -5.396 1.00 0.00 H new ATOM 0 HA LEU A 21 9.209 -7.855 -2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.357 -7.478 -5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.191 -8.508 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 21 6.513 -6.206 -4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.302 -5.995 -1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.982 -7.654 -2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.536 -7.260 -1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.859 -4.523 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.197 -5.690 -3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.668 -5.115 -4.727 1.00 0.00 H new ATOM 338 N LEU A 22 8.930 -10.775 -4.228 1.00 0.00 N ATOM 339 CA LEU A 22 8.673 -12.183 -3.979 1.00 0.00 C ATOM 340 C LEU A 22 9.244 -12.568 -2.613 1.00 0.00 C ATOM 341 O LEU A 22 8.531 -13.104 -1.766 1.00 0.00 O ATOM 342 CB LEU A 22 9.207 -13.036 -5.131 1.00 0.00 C ATOM 343 CG LEU A 22 8.198 -13.977 -5.793 1.00 0.00 C ATOM 344 CD1 LEU A 22 7.671 -15.008 -4.793 1.00 0.00 C ATOM 345 CD2 LEU A 22 7.065 -13.188 -6.454 1.00 0.00 C ATOM 0 H LEU A 22 9.211 -10.555 -5.184 1.00 0.00 H new ATOM 0 HA LEU A 22 7.600 -12.374 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.608 -12.370 -5.895 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.040 -13.632 -4.759 1.00 0.00 H new ATOM 0 HG LEU A 22 8.711 -14.527 -6.582 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.956 -15.664 -5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.502 -15.601 -4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.179 -14.495 -3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.362 -13.880 -6.917 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.547 -12.594 -5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.478 -12.527 -7.216 1.00 0.00 H new ATOM 357 N ARG A 23 10.526 -12.279 -2.440 1.00 0.00 N ATOM 358 CA ARG A 23 11.201 -12.588 -1.191 1.00 0.00 C ATOM 359 C ARG A 23 10.641 -11.726 -0.058 1.00 0.00 C ATOM 360 O ARG A 23 10.366 -12.228 1.031 1.00 0.00 O ATOM 361 CB ARG A 23 12.708 -12.350 -1.306 1.00 0.00 C ATOM 362 CG ARG A 23 13.464 -13.079 -0.193 1.00 0.00 C ATOM 363 CD ARG A 23 14.631 -13.888 -0.763 1.00 0.00 C ATOM 364 NE ARG A 23 14.268 -15.322 -0.829 1.00 0.00 N ATOM 365 CZ ARG A 23 14.965 -16.248 -1.521 1.00 0.00 C ATOM 366 NH1 ARG A 23 16.070 -15.898 -2.213 1.00 0.00 N ATOM 367 NH2 ARG A 23 14.550 -17.501 -1.511 1.00 0.00 N ATOM 0 H ARG A 23 11.115 -11.834 -3.144 1.00 0.00 H new ATOM 0 HA ARG A 23 11.027 -13.641 -0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.061 -12.696 -2.277 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.916 -11.281 -1.253 1.00 0.00 H new ATOM 0 HG2 ARG A 23 13.838 -12.356 0.532 1.00 0.00 H new ATOM 0 HG3 ARG A 23 12.783 -13.742 0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.886 -13.523 -1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 23 15.515 -13.756 -0.139 1.00 0.00 H new ATOM 0 HE ARG A 23 13.439 -15.629 -0.320 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.384 -14.928 -2.216 1.00 0.00 H new ATOM 0 HH12 ARG A 23 16.591 -16.604 -2.733 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.714 -17.757 -0.986 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.065 -18.213 -2.029 1.00 0.00 H new ATOM 381 N LYS A 24 10.488 -10.443 -0.352 1.00 0.00 N ATOM 382 CA LYS A 24 9.965 -9.507 0.628 1.00 0.00 C ATOM 383 C LYS A 24 8.734 -10.116 1.303 1.00 0.00 C ATOM 384 O LYS A 24 8.761 -10.417 2.495 1.00 0.00 O ATOM 385 CB LYS A 24 9.702 -8.146 -0.018 1.00 0.00 C ATOM 386 CG LYS A 24 10.258 -7.012 0.845 1.00 0.00 C ATOM 387 CD LYS A 24 10.740 -5.847 -0.022 1.00 0.00 C ATOM 388 CE LYS A 24 9.929 -4.581 0.261 1.00 0.00 C ATOM 389 NZ LYS A 24 10.463 -3.439 -0.515 1.00 0.00 N ATOM 0 H LYS A 24 10.717 -10.030 -1.256 1.00 0.00 H new ATOM 0 HA LYS A 24 10.701 -9.325 1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.161 -8.114 -1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.630 -8.008 -0.160 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.488 -6.663 1.533 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.083 -7.384 1.452 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.796 -5.658 0.171 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.651 -6.112 -1.076 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.883 -4.747 0.002 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.962 -4.352 1.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.901 -2.588 -0.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.454 -3.272 -0.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.409 -3.654 -1.531 1.00 0.00 H new ATOM 403 N THR A 25 7.685 -10.279 0.511 1.00 0.00 N ATOM 404 CA THR A 25 6.446 -10.846 1.017 1.00 0.00 C ATOM 405 C THR A 25 6.742 -11.990 1.989 1.00 0.00 C ATOM 406 O THR A 25 7.143 -13.076 1.572 1.00 0.00 O ATOM 407 CB THR A 25 5.597 -11.272 -0.182 1.00 0.00 C ATOM 408 OG1 THR A 25 5.173 -10.041 -0.761 1.00 0.00 O ATOM 409 CG2 THR A 25 4.293 -11.955 0.237 1.00 0.00 C ATOM 0 H THR A 25 7.667 -10.028 -0.478 1.00 0.00 H new ATOM 0 HA THR A 25 5.880 -10.112 1.590 1.00 0.00 H new ATOM 0 HB THR A 25 6.174 -11.947 -0.814 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.617 -10.224 -1.547 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.728 -12.237 -0.652 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.521 -12.847 0.821 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.700 -11.268 0.841 1.00 0.00 H new ATOM 417 N ARG A 26 6.533 -11.708 3.266 1.00 0.00 N ATOM 418 CA ARG A 26 6.772 -12.700 4.301 1.00 0.00 C ATOM 419 C ARG A 26 5.949 -13.961 4.028 1.00 0.00 C ATOM 420 O ARG A 26 5.242 -14.040 3.024 1.00 0.00 O ATOM 421 CB ARG A 26 6.410 -12.153 5.683 1.00 0.00 C ATOM 422 CG ARG A 26 7.662 -11.959 6.541 1.00 0.00 C ATOM 423 CD ARG A 26 7.290 -11.690 8.001 1.00 0.00 C ATOM 424 NE ARG A 26 8.268 -12.340 8.901 1.00 0.00 N ATOM 425 CZ ARG A 26 9.497 -11.849 9.164 1.00 0.00 C ATOM 426 NH1 ARG A 26 9.910 -10.695 8.597 1.00 0.00 N ATOM 427 NH2 ARG A 26 10.290 -12.513 9.984 1.00 0.00 N ATOM 0 H ARG A 26 6.201 -10.806 3.608 1.00 0.00 H new ATOM 0 HA ARG A 26 7.834 -12.944 4.286 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.887 -11.203 5.576 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.726 -12.839 6.182 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.290 -12.848 6.480 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.248 -11.127 6.152 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.269 -10.616 8.188 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.288 -12.068 8.205 1.00 0.00 H new ATOM 0 HE ARG A 26 7.996 -13.214 9.351 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.291 -10.188 7.965 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.841 -10.331 8.801 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.971 -13.384 10.408 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.222 -12.155 10.193 1.00 0.00 H new ATOM 441 N GLU A 27 6.068 -14.915 4.939 1.00 0.00 N ATOM 442 CA GLU A 27 5.344 -16.168 4.809 1.00 0.00 C ATOM 443 C GLU A 27 3.904 -16.003 5.299 1.00 0.00 C ATOM 444 O GLU A 27 3.445 -14.884 5.520 1.00 0.00 O ATOM 445 CB GLU A 27 6.055 -17.293 5.564 1.00 0.00 C ATOM 446 CG GLU A 27 6.543 -18.377 4.601 1.00 0.00 C ATOM 447 CD GLU A 27 5.370 -19.024 3.863 1.00 0.00 C ATOM 448 OE1 GLU A 27 4.806 -20.018 4.345 1.00 0.00 O ATOM 449 OE2 GLU A 27 5.047 -18.458 2.749 1.00 0.00 O ATOM 0 H GLU A 27 6.655 -14.846 5.770 1.00 0.00 H new ATOM 0 HA GLU A 27 5.319 -16.442 3.754 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.901 -16.886 6.118 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.376 -17.731 6.296 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.236 -17.943 3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.094 -19.138 5.154 1.00 0.00 H new ATOM 456 N SER A 28 3.232 -17.134 5.455 1.00 0.00 N ATOM 457 CA SER A 28 1.854 -17.129 5.915 1.00 0.00 C ATOM 458 C SER A 28 0.946 -16.526 4.841 1.00 0.00 C ATOM 459 O SER A 28 1.426 -15.905 3.894 1.00 0.00 O ATOM 460 CB SER A 28 1.714 -16.351 7.225 1.00 0.00 C ATOM 461 OG SER A 28 1.564 -17.217 8.347 1.00 0.00 O ATOM 0 H SER A 28 3.617 -18.061 5.271 1.00 0.00 H new ATOM 0 HA SER A 28 1.552 -18.160 6.101 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.592 -15.721 7.368 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.852 -15.687 7.162 1.00 0.00 H new ATOM 0 HG SER A 28 1.479 -16.682 9.164 1.00 0.00 H new ATOM 467 N PRO A 29 -0.385 -16.737 5.029 1.00 0.00 N ATOM 468 CA PRO A 29 -1.364 -16.222 4.087 1.00 0.00 C ATOM 469 C PRO A 29 -1.545 -14.712 4.255 1.00 0.00 C ATOM 470 O PRO A 29 -0.726 -14.053 4.893 1.00 0.00 O ATOM 471 CB PRO A 29 -2.634 -17.007 4.372 1.00 0.00 C ATOM 472 CG PRO A 29 -2.456 -17.599 5.761 1.00 0.00 C ATOM 473 CD PRO A 29 -0.989 -17.468 6.138 1.00 0.00 C ATOM 0 HA PRO A 29 -1.057 -16.349 3.049 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -3.510 -16.360 4.333 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.783 -17.791 3.630 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -3.084 -17.076 6.482 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.761 -18.645 5.772 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.868 -16.931 7.079 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.525 -18.446 6.267 1.00 0.00 H new ATOM 481 N LEU A 30 -2.621 -14.209 3.669 1.00 0.00 N ATOM 482 CA LEU A 30 -2.919 -12.789 3.745 1.00 0.00 C ATOM 483 C LEU A 30 -3.982 -12.552 4.821 1.00 0.00 C ATOM 484 O LEU A 30 -4.145 -11.431 5.301 1.00 0.00 O ATOM 485 CB LEU A 30 -3.308 -12.248 2.368 1.00 0.00 C ATOM 486 CG LEU A 30 -3.945 -10.857 2.348 1.00 0.00 C ATOM 487 CD1 LEU A 30 -3.335 -9.990 1.244 1.00 0.00 C ATOM 488 CD2 LEU A 30 -5.467 -10.952 2.227 1.00 0.00 C ATOM 0 H LEU A 30 -3.297 -14.759 3.140 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.032 -12.230 4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.415 -12.226 1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.002 -12.950 1.907 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.728 -10.369 3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.805 -9.007 1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.264 -9.881 1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.500 -10.464 0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.894 -9.949 2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.727 -11.468 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.866 -11.506 3.077 1.00 0.00 H new ATOM 500 N VAL A 31 -4.677 -13.626 5.167 1.00 0.00 N ATOM 501 CA VAL A 31 -5.719 -13.549 6.177 1.00 0.00 C ATOM 502 C VAL A 31 -5.207 -12.741 7.371 1.00 0.00 C ATOM 503 O VAL A 31 -5.881 -11.825 7.840 1.00 0.00 O ATOM 504 CB VAL A 31 -6.180 -14.956 6.561 1.00 0.00 C ATOM 505 CG1 VAL A 31 -6.400 -15.068 8.071 1.00 0.00 C ATOM 506 CG2 VAL A 31 -7.443 -15.348 5.792 1.00 0.00 C ATOM 0 H VAL A 31 -4.539 -14.554 4.766 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.594 -13.030 5.785 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.390 -15.654 6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.727 -16.078 8.317 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.467 -14.852 8.592 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.163 -14.354 8.382 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.749 -16.353 6.084 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.242 -14.644 6.022 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.238 -15.328 4.722 1.00 0.00 H new ATOM 516 N PRO A 32 -3.988 -13.119 7.841 1.00 0.00 N ATOM 517 CA PRO A 32 -3.379 -12.440 8.972 1.00 0.00 C ATOM 518 C PRO A 32 -2.833 -11.071 8.560 1.00 0.00 C ATOM 519 O PRO A 32 -3.488 -10.050 8.767 1.00 0.00 O ATOM 520 CB PRO A 32 -2.296 -13.387 9.463 1.00 0.00 C ATOM 521 CG PRO A 32 -2.028 -14.345 8.314 1.00 0.00 C ATOM 522 CD PRO A 32 -3.161 -14.199 7.311 1.00 0.00 C ATOM 0 HA PRO A 32 -4.093 -12.225 9.767 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.393 -12.840 9.734 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.622 -13.926 10.353 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.071 -14.119 7.844 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -1.970 -15.371 8.678 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.782 -13.957 6.318 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.730 -15.124 7.218 1.00 0.00 H new ATOM 530 N ILE A 33 -1.640 -11.093 7.985 1.00 0.00 N ATOM 531 CA ILE A 33 -0.999 -9.867 7.542 1.00 0.00 C ATOM 532 C ILE A 33 -2.061 -8.909 6.998 1.00 0.00 C ATOM 533 O ILE A 33 -1.980 -7.700 7.210 1.00 0.00 O ATOM 534 CB ILE A 33 0.119 -10.176 6.544 1.00 0.00 C ATOM 535 CG1 ILE A 33 -0.424 -10.933 5.330 1.00 0.00 C ATOM 536 CG2 ILE A 33 1.266 -10.928 7.222 1.00 0.00 C ATOM 537 CD1 ILE A 33 0.494 -10.755 4.119 1.00 0.00 C ATOM 0 H ILE A 33 -1.100 -11.942 7.816 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.516 -9.366 8.381 1.00 0.00 H new ATOM 0 HB ILE A 33 0.523 -9.231 6.180 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.516 -11.993 5.569 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.424 -10.572 5.089 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.047 -11.135 6.491 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.675 -10.318 8.027 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.894 -11.867 7.631 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.086 -11.303 3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.565 -9.697 3.868 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.486 -11.139 4.355 1.00 0.00 H new ATOM 549 N GLY A 34 -3.033 -9.486 6.306 1.00 0.00 N ATOM 550 CA GLY A 34 -4.110 -8.699 5.730 1.00 0.00 C ATOM 551 C GLY A 34 -4.980 -8.075 6.824 1.00 0.00 C ATOM 552 O GLY A 34 -5.195 -6.864 6.836 1.00 0.00 O ATOM 0 H GLY A 34 -3.097 -10.489 6.131 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.694 -7.913 5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.724 -9.331 5.089 1.00 0.00 H new ATOM 556 N LEU A 35 -5.456 -8.931 7.717 1.00 0.00 N ATOM 557 CA LEU A 35 -6.297 -8.479 8.812 1.00 0.00 C ATOM 558 C LEU A 35 -5.637 -7.279 9.495 1.00 0.00 C ATOM 559 O LEU A 35 -6.276 -6.249 9.702 1.00 0.00 O ATOM 560 CB LEU A 35 -6.604 -9.636 9.764 1.00 0.00 C ATOM 561 CG LEU A 35 -7.572 -9.325 10.908 1.00 0.00 C ATOM 562 CD1 LEU A 35 -8.763 -10.284 10.894 1.00 0.00 C ATOM 563 CD2 LEU A 35 -6.847 -9.330 12.255 1.00 0.00 C ATOM 0 H LEU A 35 -5.275 -9.935 7.704 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.263 -8.141 8.436 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.014 -10.461 9.181 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.665 -9.986 10.194 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.967 -8.320 10.759 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.435 -10.041 11.717 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.297 -10.187 9.949 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.407 -11.308 11.006 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.557 -9.106 13.051 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.406 -10.312 12.427 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.061 -8.575 12.248 1.00 0.00 H new ATOM 575 N GLY A 36 -4.366 -7.453 9.826 1.00 0.00 N ATOM 576 CA GLY A 36 -3.612 -6.398 10.481 1.00 0.00 C ATOM 577 C GLY A 36 -3.624 -5.116 9.647 1.00 0.00 C ATOM 578 O GLY A 36 -4.198 -4.109 10.058 1.00 0.00 O ATOM 0 H GLY A 36 -3.839 -8.309 9.653 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.037 -6.200 11.465 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.584 -6.724 10.638 1.00 0.00 H new ATOM 582 N GLY A 37 -2.984 -5.195 8.489 1.00 0.00 N ATOM 583 CA GLY A 37 -2.915 -4.053 7.593 1.00 0.00 C ATOM 584 C GLY A 37 -4.310 -3.492 7.311 1.00 0.00 C ATOM 585 O GLY A 37 -4.447 -2.346 6.885 1.00 0.00 O ATOM 0 H GLY A 37 -2.509 -6.032 8.151 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.290 -3.277 8.035 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.442 -4.349 6.657 1.00 0.00 H new ATOM 589 N CYS A 38 -5.309 -4.324 7.561 1.00 0.00 N ATOM 590 CA CYS A 38 -6.689 -3.925 7.339 1.00 0.00 C ATOM 591 C CYS A 38 -7.094 -2.957 8.452 1.00 0.00 C ATOM 592 O CYS A 38 -7.633 -1.885 8.182 1.00 0.00 O ATOM 593 CB CYS A 38 -7.623 -5.135 7.267 1.00 0.00 C ATOM 594 SG CYS A 38 -9.231 -4.642 6.546 1.00 0.00 S ATOM 0 H CYS A 38 -5.191 -5.273 7.915 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.775 -3.425 6.375 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.169 -5.920 6.662 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.774 -5.548 8.264 1.00 0.00 H new ATOM 0 HG CYS A 38 -10.016 -5.677 6.487 1.00 0.00 H new ATOM 600 N LEU A 39 -6.818 -3.369 9.681 1.00 0.00 N ATOM 601 CA LEU A 39 -7.146 -2.552 10.836 1.00 0.00 C ATOM 602 C LEU A 39 -6.369 -1.236 10.762 1.00 0.00 C ATOM 603 O LEU A 39 -6.867 -0.193 11.182 1.00 0.00 O ATOM 604 CB LEU A 39 -6.911 -3.333 12.130 1.00 0.00 C ATOM 605 CG LEU A 39 -6.691 -2.494 13.390 1.00 0.00 C ATOM 606 CD1 LEU A 39 -7.617 -2.948 14.520 1.00 0.00 C ATOM 607 CD2 LEU A 39 -5.220 -2.512 13.812 1.00 0.00 C ATOM 0 H LEU A 39 -6.371 -4.259 9.901 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.206 -2.298 10.833 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.768 -3.986 12.297 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.042 -3.976 11.990 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.947 -1.460 13.160 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.440 -2.335 15.404 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.655 -2.840 14.205 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.417 -3.993 14.757 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.092 -1.908 14.710 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.913 -3.537 14.018 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.606 -2.104 13.009 1.00 0.00 H new ATOM 619 N VAL A 40 -5.162 -1.329 10.225 1.00 0.00 N ATOM 620 CA VAL A 40 -4.311 -0.158 10.090 1.00 0.00 C ATOM 621 C VAL A 40 -4.830 0.716 8.947 1.00 0.00 C ATOM 622 O VAL A 40 -5.352 1.805 9.181 1.00 0.00 O ATOM 623 CB VAL A 40 -2.855 -0.589 9.900 1.00 0.00 C ATOM 624 CG1 VAL A 40 -1.955 0.620 9.636 1.00 0.00 C ATOM 625 CG2 VAL A 40 -2.358 -1.389 11.105 1.00 0.00 C ATOM 0 H VAL A 40 -4.753 -2.196 9.878 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.342 0.444 10.998 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.810 -1.238 9.025 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.926 0.286 9.505 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.288 1.132 8.733 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.009 1.305 10.482 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.321 -1.683 10.944 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.426 -0.775 12.003 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.973 -2.281 11.228 1.00 0.00 H new ATOM 635 N VAL A 41 -4.668 0.206 7.735 1.00 0.00 N ATOM 636 CA VAL A 41 -5.114 0.927 6.554 1.00 0.00 C ATOM 637 C VAL A 41 -6.506 1.507 6.812 1.00 0.00 C ATOM 638 O VAL A 41 -6.778 2.656 6.465 1.00 0.00 O ATOM 639 CB VAL A 41 -5.066 0.009 5.331 1.00 0.00 C ATOM 640 CG1 VAL A 41 -6.351 -0.813 5.212 1.00 0.00 C ATOM 641 CG2 VAL A 41 -4.808 0.811 4.054 1.00 0.00 C ATOM 0 H VAL A 41 -4.234 -0.697 7.545 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.447 1.763 6.342 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.236 -0.685 5.465 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.291 -1.457 4.335 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.475 -1.426 6.105 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.204 -0.142 5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.779 0.135 3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.607 1.539 3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.854 1.332 4.138 1.00 0.00 H new ATOM 651 N ALA A 42 -7.351 0.687 7.419 1.00 0.00 N ATOM 652 CA ALA A 42 -8.708 1.104 7.727 1.00 0.00 C ATOM 653 C ALA A 42 -8.670 2.203 8.791 1.00 0.00 C ATOM 654 O ALA A 42 -9.434 3.165 8.723 1.00 0.00 O ATOM 655 CB ALA A 42 -9.527 -0.109 8.172 1.00 0.00 C ATOM 0 H ALA A 42 -7.122 -0.265 7.706 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.192 1.517 6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.545 0.204 8.403 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.548 -0.848 7.371 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.073 -0.549 9.060 1.00 0.00 H new ATOM 661 N ALA A 43 -7.773 2.024 9.750 1.00 0.00 N ATOM 662 CA ALA A 43 -7.626 2.988 10.827 1.00 0.00 C ATOM 663 C ALA A 43 -7.303 4.362 10.235 1.00 0.00 C ATOM 664 O ALA A 43 -7.832 5.376 10.687 1.00 0.00 O ATOM 665 CB ALA A 43 -6.549 2.505 11.800 1.00 0.00 C ATOM 0 H ALA A 43 -7.141 1.225 9.803 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.555 3.081 11.389 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.438 3.228 12.608 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.839 1.539 12.214 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.601 2.403 11.272 1.00 0.00 H new ATOM 671 N TYR A 44 -6.437 4.350 9.233 1.00 0.00 N ATOM 672 CA TYR A 44 -6.037 5.582 8.574 1.00 0.00 C ATOM 673 C TYR A 44 -7.185 6.155 7.740 1.00 0.00 C ATOM 674 O TYR A 44 -7.380 7.369 7.695 1.00 0.00 O ATOM 675 CB TYR A 44 -4.883 5.208 7.643 1.00 0.00 C ATOM 676 CG TYR A 44 -4.502 6.308 6.650 1.00 0.00 C ATOM 677 CD1 TYR A 44 -3.659 7.328 7.041 1.00 0.00 C ATOM 678 CD2 TYR A 44 -5.003 6.280 5.364 1.00 0.00 C ATOM 679 CE1 TYR A 44 -3.301 8.364 6.106 1.00 0.00 C ATOM 680 CE2 TYR A 44 -4.644 7.316 4.430 1.00 0.00 C ATOM 681 CZ TYR A 44 -3.811 8.306 4.847 1.00 0.00 C ATOM 682 OH TYR A 44 -3.473 9.284 3.964 1.00 0.00 O ATOM 0 H TYR A 44 -6.001 3.506 8.861 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.753 6.335 9.309 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.010 4.959 8.246 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.154 4.310 7.088 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.268 7.350 8.047 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -5.664 5.482 5.059 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.642 9.168 6.399 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.028 7.306 3.421 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.910 9.113 3.104 1.00 0.00 H new ATOM 692 N ARG A 45 -7.915 5.254 7.099 1.00 0.00 N ATOM 693 CA ARG A 45 -9.039 5.654 6.269 1.00 0.00 C ATOM 694 C ARG A 45 -10.095 6.368 7.114 1.00 0.00 C ATOM 695 O ARG A 45 -10.597 7.422 6.725 1.00 0.00 O ATOM 696 CB ARG A 45 -9.676 4.443 5.584 1.00 0.00 C ATOM 697 CG ARG A 45 -10.513 4.874 4.378 1.00 0.00 C ATOM 698 CD ARG A 45 -9.994 4.226 3.092 1.00 0.00 C ATOM 699 NE ARG A 45 -8.638 4.730 2.782 1.00 0.00 N ATOM 700 CZ ARG A 45 -8.002 4.521 1.610 1.00 0.00 C ATOM 701 NH1 ARG A 45 -8.596 3.814 0.625 1.00 0.00 N ATOM 702 NH2 ARG A 45 -6.790 5.018 1.442 1.00 0.00 N ATOM 0 H ARG A 45 -7.750 4.248 7.138 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.662 6.333 5.504 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.898 3.751 5.263 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.305 3.907 6.295 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.555 4.595 4.535 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.485 5.959 4.280 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.971 3.142 3.205 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.670 4.446 2.266 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.153 5.269 3.499 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.532 3.433 0.764 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.109 3.661 -0.258 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.349 5.550 2.192 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.295 4.869 0.563 1.00 0.00 H new ATOM 716 N ILE A 46 -10.402 5.767 8.254 1.00 0.00 N ATOM 717 CA ILE A 46 -11.390 6.332 9.157 1.00 0.00 C ATOM 718 C ILE A 46 -10.894 7.688 9.664 1.00 0.00 C ATOM 719 O ILE A 46 -11.570 8.702 9.498 1.00 0.00 O ATOM 720 CB ILE A 46 -11.723 5.342 10.274 1.00 0.00 C ATOM 721 CG1 ILE A 46 -12.348 4.065 9.708 1.00 0.00 C ATOM 722 CG2 ILE A 46 -12.612 5.992 11.336 1.00 0.00 C ATOM 723 CD1 ILE A 46 -13.820 4.285 9.356 1.00 0.00 C ATOM 0 H ILE A 46 -9.983 4.893 8.573 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.328 6.511 8.632 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.792 5.055 10.764 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -11.801 3.751 8.819 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -12.261 3.259 10.437 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.834 5.266 12.119 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.094 6.847 11.770 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -13.542 6.326 10.877 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -14.240 3.362 8.956 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.369 4.575 10.252 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.901 5.075 8.609 1.00 0.00 H new ATOM 735 N TYR A 47 -9.717 7.662 10.272 1.00 0.00 N ATOM 736 CA TYR A 47 -9.123 8.876 10.805 1.00 0.00 C ATOM 737 C TYR A 47 -9.176 10.009 9.777 1.00 0.00 C ATOM 738 O TYR A 47 -9.490 11.148 10.120 1.00 0.00 O ATOM 739 CB TYR A 47 -7.660 8.537 11.096 1.00 0.00 C ATOM 740 CG TYR A 47 -7.356 8.314 12.579 1.00 0.00 C ATOM 741 CD1 TYR A 47 -7.733 9.260 13.510 1.00 0.00 C ATOM 742 CD2 TYR A 47 -6.705 7.166 12.985 1.00 0.00 C ATOM 743 CE1 TYR A 47 -7.447 9.050 14.906 1.00 0.00 C ATOM 744 CE2 TYR A 47 -6.419 6.957 14.381 1.00 0.00 C ATOM 745 CZ TYR A 47 -6.804 7.909 15.272 1.00 0.00 C ATOM 746 OH TYR A 47 -6.535 7.710 16.591 1.00 0.00 O ATOM 0 H TYR A 47 -9.159 6.819 10.407 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.660 9.208 11.693 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.388 7.639 10.541 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.030 9.345 10.724 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.242 10.158 13.192 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.410 6.425 12.256 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.737 9.782 15.645 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.910 6.064 14.713 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.074 6.853 16.705 1.00 0.00 H new ATOM 756 N ARG A 48 -8.865 9.656 8.539 1.00 0.00 N ATOM 757 CA ARG A 48 -8.874 10.629 7.459 1.00 0.00 C ATOM 758 C ARG A 48 -10.293 11.155 7.230 1.00 0.00 C ATOM 759 O ARG A 48 -10.532 12.359 7.308 1.00 0.00 O ATOM 760 CB ARG A 48 -8.349 10.015 6.160 1.00 0.00 C ATOM 761 CG ARG A 48 -7.721 11.083 5.263 1.00 0.00 C ATOM 762 CD ARG A 48 -6.202 10.913 5.190 1.00 0.00 C ATOM 763 NE ARG A 48 -5.569 12.187 4.782 1.00 0.00 N ATOM 764 CZ ARG A 48 -5.436 12.590 3.500 1.00 0.00 C ATOM 765 NH1 ARG A 48 -5.891 11.820 2.489 1.00 0.00 N ATOM 766 NH2 ARG A 48 -4.853 13.748 3.250 1.00 0.00 N ATOM 0 H ARG A 48 -8.605 8.710 8.259 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.220 11.452 7.749 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.610 9.247 6.389 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.165 9.524 5.630 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.146 11.018 4.262 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.962 12.074 5.648 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.816 10.600 6.160 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.950 10.127 4.478 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.211 12.799 5.515 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.339 10.926 2.691 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.787 12.132 1.524 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.511 14.323 4.020 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.745 14.067 2.287 1.00 0.00 H new ATOM 780 N LEU A 49 -11.196 10.226 6.953 1.00 0.00 N ATOM 781 CA LEU A 49 -12.584 10.581 6.712 1.00 0.00 C ATOM 782 C LEU A 49 -13.011 11.660 7.709 1.00 0.00 C ATOM 783 O LEU A 49 -13.448 12.739 7.312 1.00 0.00 O ATOM 784 CB LEU A 49 -13.469 9.333 6.741 1.00 0.00 C ATOM 785 CG LEU A 49 -14.551 9.253 5.662 1.00 0.00 C ATOM 786 CD1 LEU A 49 -15.559 10.394 5.810 1.00 0.00 C ATOM 787 CD2 LEU A 49 -13.929 9.215 4.264 1.00 0.00 C ATOM 0 H LEU A 49 -10.994 9.228 6.890 1.00 0.00 H new ATOM 0 HA LEU A 49 -12.701 11.004 5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.829 8.456 6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -13.952 9.277 7.717 1.00 0.00 H new ATOM 0 HG LEU A 49 -15.099 8.320 5.796 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -16.317 10.313 5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -16.036 10.333 6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -15.043 11.350 5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -14.719 9.158 3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -13.341 10.118 4.103 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -13.283 8.341 4.177 1.00 0.00 H new ATOM 799 N ARG A 50 -12.869 11.332 8.985 1.00 0.00 N ATOM 800 CA ARG A 50 -13.234 12.260 10.042 1.00 0.00 C ATOM 801 C ARG A 50 -12.327 13.492 10.003 1.00 0.00 C ATOM 802 O ARG A 50 -11.103 13.367 10.004 1.00 0.00 O ATOM 803 CB ARG A 50 -13.125 11.598 11.417 1.00 0.00 C ATOM 804 CG ARG A 50 -14.131 12.204 12.398 1.00 0.00 C ATOM 805 CD ARG A 50 -14.301 11.313 13.630 1.00 0.00 C ATOM 806 NE ARG A 50 -15.739 11.126 13.925 1.00 0.00 N ATOM 807 CZ ARG A 50 -16.568 12.121 14.307 1.00 0.00 C ATOM 808 NH1 ARG A 50 -16.108 13.383 14.442 1.00 0.00 N ATOM 809 NH2 ARG A 50 -17.836 11.842 14.545 1.00 0.00 N ATOM 0 H ARG A 50 -12.506 10.436 9.311 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.269 12.561 9.877 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.302 10.527 11.324 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -12.114 11.721 11.805 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.794 13.194 12.705 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.094 12.334 11.903 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.828 10.346 13.458 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.801 11.764 14.487 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.128 10.187 13.834 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.127 13.591 14.255 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.741 14.128 14.731 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -18.176 10.886 14.440 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -18.475 12.582 14.834 1.00 0.00 H new ATOM 1045 N ARG A 65 5.540 13.865 6.352 1.00 0.00 N ATOM 1046 CA ARG A 65 6.329 12.705 5.969 1.00 0.00 C ATOM 1047 C ARG A 65 5.494 11.429 6.101 1.00 0.00 C ATOM 1048 O ARG A 65 5.321 10.694 5.131 1.00 0.00 O ATOM 1049 CB ARG A 65 7.581 12.580 6.838 1.00 0.00 C ATOM 1050 CG ARG A 65 8.695 11.843 6.092 1.00 0.00 C ATOM 1051 CD ARG A 65 9.529 12.814 5.254 1.00 0.00 C ATOM 1052 NE ARG A 65 10.755 12.141 4.771 1.00 0.00 N ATOM 1053 CZ ARG A 65 10.805 11.356 3.673 1.00 0.00 C ATOM 1054 NH1 ARG A 65 9.696 11.138 2.936 1.00 0.00 N ATOM 1055 NH2 ARG A 65 11.955 10.804 3.333 1.00 0.00 N ATOM 0 HA ARG A 65 6.634 12.838 4.931 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.927 13.572 7.128 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.339 12.046 7.757 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.338 11.329 6.807 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.262 11.079 5.446 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.943 13.172 4.407 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.794 13.687 5.850 1.00 0.00 H new ATOM 0 HE ARG A 65 11.616 12.278 5.300 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.811 11.567 3.207 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.742 10.544 2.108 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.788 10.973 3.897 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.010 10.208 2.507 1.00 0.00 H new ATOM 1069 N VAL A 66 5.000 11.206 7.310 1.00 0.00 N ATOM 1070 CA VAL A 66 4.189 10.032 7.581 1.00 0.00 C ATOM 1071 C VAL A 66 3.112 9.901 6.502 1.00 0.00 C ATOM 1072 O VAL A 66 3.089 8.921 5.759 1.00 0.00 O ATOM 1073 CB VAL A 66 3.611 10.111 8.996 1.00 0.00 C ATOM 1074 CG1 VAL A 66 2.581 9.003 9.230 1.00 0.00 C ATOM 1075 CG2 VAL A 66 4.722 10.058 10.046 1.00 0.00 C ATOM 0 H VAL A 66 5.146 11.818 8.112 1.00 0.00 H new ATOM 0 HA VAL A 66 4.799 9.129 7.543 1.00 0.00 H new ATOM 0 HB VAL A 66 3.101 11.069 9.097 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.186 9.082 10.243 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.766 9.106 8.513 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.057 8.031 9.101 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.284 10.116 11.042 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.273 9.123 9.946 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.402 10.897 9.899 1.00 0.00 H new ATOM 1085 N ALA A 67 2.246 10.902 6.450 1.00 0.00 N ATOM 1086 CA ALA A 67 1.170 10.911 5.474 1.00 0.00 C ATOM 1087 C ALA A 67 1.700 10.403 4.132 1.00 0.00 C ATOM 1088 O ALA A 67 1.247 9.375 3.630 1.00 0.00 O ATOM 1089 CB ALA A 67 0.584 12.321 5.373 1.00 0.00 C ATOM 0 H ALA A 67 2.268 11.713 7.068 1.00 0.00 H new ATOM 0 HA ALA A 67 0.365 10.245 5.784 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.223 12.328 4.641 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.195 12.624 6.345 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.363 13.017 5.061 1.00 0.00 H new ATOM 1095 N ALA A 68 2.652 11.147 3.588 1.00 0.00 N ATOM 1096 CA ALA A 68 3.249 10.785 2.314 1.00 0.00 C ATOM 1097 C ALA A 68 3.526 9.280 2.294 1.00 0.00 C ATOM 1098 O ALA A 68 2.949 8.550 1.490 1.00 0.00 O ATOM 1099 CB ALA A 68 4.515 11.614 2.089 1.00 0.00 C ATOM 0 H ALA A 68 3.025 11.999 4.007 1.00 0.00 H new ATOM 0 HA ALA A 68 2.565 11.005 1.494 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.963 11.342 1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.260 12.674 2.082 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.226 11.418 2.892 1.00 0.00 H new ATOM 1105 N GLN A 69 4.408 8.862 3.189 1.00 0.00 N ATOM 1106 CA GLN A 69 4.769 7.457 3.285 1.00 0.00 C ATOM 1107 C GLN A 69 3.516 6.582 3.207 1.00 0.00 C ATOM 1108 O GLN A 69 3.332 5.841 2.242 1.00 0.00 O ATOM 1109 CB GLN A 69 5.553 7.179 4.568 1.00 0.00 C ATOM 1110 CG GLN A 69 7.054 7.088 4.285 1.00 0.00 C ATOM 1111 CD GLN A 69 7.869 7.594 5.477 1.00 0.00 C ATOM 1112 OE1 GLN A 69 7.553 8.596 6.096 1.00 0.00 O ATOM 1113 NE2 GLN A 69 8.932 6.847 5.762 1.00 0.00 N ATOM 0 H GLN A 69 4.884 9.471 3.855 1.00 0.00 H new ATOM 0 HA GLN A 69 5.415 7.209 2.443 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.363 7.971 5.293 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.207 6.247 5.015 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.325 6.055 4.067 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.297 7.674 3.399 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.139 6.020 5.202 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.540 7.101 6.540 1.00 0.00 H new ATOM 1122 N ALA A 70 2.688 6.696 4.235 1.00 0.00 N ATOM 1123 CA ALA A 70 1.459 5.924 4.294 1.00 0.00 C ATOM 1124 C ALA A 70 0.779 5.948 2.924 1.00 0.00 C ATOM 1125 O ALA A 70 0.112 4.988 2.541 1.00 0.00 O ATOM 1126 CB ALA A 70 0.560 6.479 5.401 1.00 0.00 C ATOM 0 H ALA A 70 2.844 7.311 5.033 1.00 0.00 H new ATOM 0 HA ALA A 70 1.672 4.883 4.537 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.362 5.900 5.445 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.077 6.411 6.358 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.324 7.522 5.189 1.00 0.00 H new ATOM 1132 N CYS A 71 0.973 7.055 2.223 1.00 0.00 N ATOM 1133 CA CYS A 71 0.387 7.217 0.903 1.00 0.00 C ATOM 1134 C CYS A 71 1.069 6.233 -0.050 1.00 0.00 C ATOM 1135 O CYS A 71 0.398 5.484 -0.759 1.00 0.00 O ATOM 1136 CB CYS A 71 0.498 8.661 0.408 1.00 0.00 C ATOM 1137 SG CYS A 71 -1.104 9.209 -0.287 1.00 0.00 S ATOM 0 H CYS A 71 1.528 7.849 2.544 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.680 6.998 0.947 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.790 9.315 1.230 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.277 8.735 -0.350 1.00 0.00 H new ATOM 0 HG CYS A 71 -1.000 10.437 -0.702 1.00 0.00 H new ATOM 1143 N ALA A 72 2.393 6.267 -0.035 1.00 0.00 N ATOM 1144 CA ALA A 72 3.173 5.387 -0.889 1.00 0.00 C ATOM 1145 C ALA A 72 2.959 3.937 -0.451 1.00 0.00 C ATOM 1146 O ALA A 72 2.329 3.156 -1.162 1.00 0.00 O ATOM 1147 CB ALA A 72 4.645 5.800 -0.839 1.00 0.00 C ATOM 0 H ALA A 72 2.945 6.890 0.555 1.00 0.00 H new ATOM 0 HA ALA A 72 2.846 5.470 -1.926 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.230 5.140 -1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.747 6.828 -1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.009 5.727 0.186 1.00 0.00 H new ATOM 1153 N VAL A 73 3.497 3.620 0.718 1.00 0.00 N ATOM 1154 CA VAL A 73 3.373 2.277 1.260 1.00 0.00 C ATOM 1155 C VAL A 73 1.917 1.820 1.150 1.00 0.00 C ATOM 1156 O VAL A 73 1.648 0.637 0.947 1.00 0.00 O ATOM 1157 CB VAL A 73 3.904 2.241 2.694 1.00 0.00 C ATOM 1158 CG1 VAL A 73 5.427 2.382 2.719 1.00 0.00 C ATOM 1159 CG2 VAL A 73 3.239 3.319 3.553 1.00 0.00 C ATOM 0 H VAL A 73 4.020 4.270 1.305 1.00 0.00 H new ATOM 0 HA VAL A 73 3.978 1.576 0.686 1.00 0.00 H new ATOM 0 HB VAL A 73 3.651 1.270 3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.778 2.353 3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.878 1.562 2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.712 3.331 2.265 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.635 3.271 4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.446 4.301 3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.162 3.153 3.575 1.00 0.00 H new ATOM 1169 N GLY A 74 1.016 2.782 1.287 1.00 0.00 N ATOM 1170 CA GLY A 74 -0.406 2.492 1.205 1.00 0.00 C ATOM 1171 C GLY A 74 -0.815 2.155 -0.230 1.00 0.00 C ATOM 1172 O GLY A 74 -1.687 1.317 -0.450 1.00 0.00 O ATOM 0 H GLY A 74 1.243 3.762 1.454 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.649 1.657 1.862 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.977 3.351 1.557 1.00 0.00 H new ATOM 1176 N ALA A 75 -0.165 2.827 -1.170 1.00 0.00 N ATOM 1177 CA ALA A 75 -0.451 2.609 -2.578 1.00 0.00 C ATOM 1178 C ALA A 75 -0.017 1.194 -2.969 1.00 0.00 C ATOM 1179 O ALA A 75 -0.806 0.431 -3.523 1.00 0.00 O ATOM 1180 CB ALA A 75 0.248 3.684 -3.413 1.00 0.00 C ATOM 0 H ALA A 75 0.558 3.522 -0.984 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.521 2.691 -2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.034 3.521 -4.469 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.115 4.668 -3.117 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.324 3.630 -3.249 1.00 0.00 H new ATOM 1186 N ILE A 76 1.235 0.889 -2.665 1.00 0.00 N ATOM 1187 CA ILE A 76 1.783 -0.420 -2.978 1.00 0.00 C ATOM 1188 C ILE A 76 0.974 -1.495 -2.248 1.00 0.00 C ATOM 1189 O ILE A 76 0.512 -2.454 -2.863 1.00 0.00 O ATOM 1190 CB ILE A 76 3.281 -0.462 -2.669 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.905 -1.771 -3.158 1.00 0.00 C ATOM 1192 CG2 ILE A 76 3.540 -0.226 -1.180 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.697 -1.551 -4.449 1.00 0.00 C ATOM 0 H ILE A 76 1.886 1.525 -2.205 1.00 0.00 H new ATOM 0 HA ILE A 76 1.695 -0.624 -4.045 1.00 0.00 H new ATOM 0 HB ILE A 76 3.765 0.349 -3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.562 -2.175 -2.388 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.122 -2.510 -3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.612 -0.261 -0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.151 0.751 -0.894 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.041 -1.000 -0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.130 -2.496 -4.776 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.032 -1.170 -5.224 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.494 -0.830 -4.268 1.00 0.00 H new ATOM 1205 N MET A 77 0.827 -1.297 -0.946 1.00 0.00 N ATOM 1206 CA MET A 77 0.082 -2.236 -0.125 1.00 0.00 C ATOM 1207 C MET A 77 -1.345 -2.409 -0.649 1.00 0.00 C ATOM 1208 O MET A 77 -1.704 -3.477 -1.142 1.00 0.00 O ATOM 1209 CB MET A 77 0.039 -1.731 1.318 1.00 0.00 C ATOM 1210 CG MET A 77 1.324 -2.095 2.065 1.00 0.00 C ATOM 1211 SD MET A 77 1.034 -2.075 3.826 1.00 0.00 S ATOM 1212 CE MET A 77 2.521 -1.254 4.376 1.00 0.00 C ATOM 0 H MET A 77 1.212 -0.500 -0.439 1.00 0.00 H new ATOM 0 HA MET A 77 0.584 -3.203 -0.165 1.00 0.00 H new ATOM 0 HB2 MET A 77 -0.096 -0.649 1.325 1.00 0.00 H new ATOM 0 HB3 MET A 77 -0.820 -2.162 1.833 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.667 -3.083 1.756 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.115 -1.389 1.810 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.771 -1.590 5.382 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.341 -1.494 3.699 1.00 0.00 H new ATOM 0 HE3 MET A 77 2.360 -0.176 4.384 1.00 0.00 H new ATOM 1222 N LEU A 78 -2.121 -1.342 -0.523 1.00 0.00 N ATOM 1223 CA LEU A 78 -3.501 -1.363 -0.977 1.00 0.00 C ATOM 1224 C LEU A 78 -3.585 -2.116 -2.306 1.00 0.00 C ATOM 1225 O LEU A 78 -4.211 -3.171 -2.387 1.00 0.00 O ATOM 1226 CB LEU A 78 -4.066 0.058 -1.038 1.00 0.00 C ATOM 1227 CG LEU A 78 -5.565 0.172 -1.321 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -6.172 1.370 -0.589 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -5.836 0.223 -2.826 1.00 0.00 C ATOM 0 H LEU A 78 -1.820 -0.458 -0.113 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.128 -1.901 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.857 0.552 -0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.528 0.609 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.054 -0.722 -0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.238 1.428 -0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.028 1.252 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.683 2.286 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.909 0.304 -3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.332 1.088 -3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.460 -0.687 -3.294 1.00 0.00 H new ATOM 1241 N GLY A 79 -2.945 -1.543 -3.315 1.00 0.00 N ATOM 1242 CA GLY A 79 -2.939 -2.147 -4.637 1.00 0.00 C ATOM 1243 C GLY A 79 -2.830 -3.670 -4.543 1.00 0.00 C ATOM 1244 O GLY A 79 -3.708 -4.390 -5.018 1.00 0.00 O ATOM 0 H GLY A 79 -2.427 -0.667 -3.244 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.851 -1.876 -5.169 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.104 -1.754 -5.217 1.00 0.00 H new ATOM 1248 N ALA A 80 -1.746 -4.117 -3.927 1.00 0.00 N ATOM 1249 CA ALA A 80 -1.510 -5.542 -3.765 1.00 0.00 C ATOM 1250 C ALA A 80 -2.740 -6.188 -3.122 1.00 0.00 C ATOM 1251 O ALA A 80 -3.387 -7.040 -3.729 1.00 0.00 O ATOM 1252 CB ALA A 80 -0.240 -5.759 -2.941 1.00 0.00 C ATOM 0 H ALA A 80 -1.021 -3.517 -3.534 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.355 -6.018 -4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.063 -6.828 -2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.609 -5.307 -3.454 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.359 -5.297 -1.961 1.00 0.00 H new ATOM 1258 N VAL A 81 -3.025 -5.757 -1.902 1.00 0.00 N ATOM 1259 CA VAL A 81 -4.165 -6.282 -1.170 1.00 0.00 C ATOM 1260 C VAL A 81 -5.345 -6.456 -2.129 1.00 0.00 C ATOM 1261 O VAL A 81 -5.763 -7.578 -2.408 1.00 0.00 O ATOM 1262 CB VAL A 81 -4.488 -5.374 0.017 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -5.820 -5.765 0.660 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -3.356 -5.392 1.046 1.00 0.00 C ATOM 0 H VAL A 81 -2.486 -5.050 -1.402 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.934 -7.264 -0.757 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.583 -4.355 -0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.026 -5.104 1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.619 -5.676 -0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.765 -6.795 1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.612 -4.738 1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.214 -6.409 1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.435 -5.042 0.580 1.00 0.00 H new ATOM 1274 N TYR A 82 -5.848 -5.327 -2.607 1.00 0.00 N ATOM 1275 CA TYR A 82 -6.972 -5.340 -3.528 1.00 0.00 C ATOM 1276 C TYR A 82 -6.849 -6.494 -4.526 1.00 0.00 C ATOM 1277 O TYR A 82 -7.752 -7.322 -4.636 1.00 0.00 O ATOM 1278 CB TYR A 82 -6.908 -4.015 -4.290 1.00 0.00 C ATOM 1279 CG TYR A 82 -8.271 -3.495 -4.750 1.00 0.00 C ATOM 1280 CD1 TYR A 82 -9.126 -2.904 -3.842 1.00 0.00 C ATOM 1281 CD2 TYR A 82 -8.646 -3.617 -6.072 1.00 0.00 C ATOM 1282 CE1 TYR A 82 -10.410 -2.415 -4.275 1.00 0.00 C ATOM 1283 CE2 TYR A 82 -9.930 -3.128 -6.505 1.00 0.00 C ATOM 1284 CZ TYR A 82 -10.748 -2.551 -5.585 1.00 0.00 C ATOM 1285 OH TYR A 82 -11.960 -2.089 -5.994 1.00 0.00 O ATOM 0 H TYR A 82 -5.498 -4.398 -2.374 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.910 -5.467 -2.987 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.440 -3.264 -3.654 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.265 -4.140 -5.161 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.833 -2.808 -2.807 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.977 -4.079 -6.783 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -11.089 -1.951 -3.575 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.236 -3.218 -7.537 1.00 0.00 H new ATOM 0 HH TYR A 82 -12.065 -2.252 -6.955 1.00 0.00 H new ATOM 1295 N THR A 83 -5.725 -6.512 -5.226 1.00 0.00 N ATOM 1296 CA THR A 83 -5.473 -7.551 -6.211 1.00 0.00 C ATOM 1297 C THR A 83 -5.594 -8.934 -5.569 1.00 0.00 C ATOM 1298 O THR A 83 -6.105 -9.867 -6.187 1.00 0.00 O ATOM 1299 CB THR A 83 -4.101 -7.288 -6.834 1.00 0.00 C ATOM 1300 OG1 THR A 83 -4.330 -6.210 -7.737 1.00 0.00 O ATOM 1301 CG2 THR A 83 -3.637 -8.435 -7.734 1.00 0.00 C ATOM 0 H THR A 83 -4.978 -5.824 -5.131 1.00 0.00 H new ATOM 0 HA THR A 83 -6.217 -7.531 -7.007 1.00 0.00 H new ATOM 0 HB THR A 83 -3.368 -7.128 -6.043 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.490 -5.973 -8.184 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.658 -8.197 -8.151 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.569 -9.352 -7.149 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.352 -8.574 -8.545 1.00 0.00 H new ATOM 1309 N MET A 84 -5.114 -9.024 -4.337 1.00 0.00 N ATOM 1310 CA MET A 84 -5.162 -10.278 -3.605 1.00 0.00 C ATOM 1311 C MET A 84 -6.607 -10.682 -3.303 1.00 0.00 C ATOM 1312 O MET A 84 -7.055 -11.751 -3.713 1.00 0.00 O ATOM 1313 CB MET A 84 -4.388 -10.133 -2.293 1.00 0.00 C ATOM 1314 CG MET A 84 -3.169 -11.058 -2.272 1.00 0.00 C ATOM 1315 SD MET A 84 -1.728 -10.183 -2.857 1.00 0.00 S ATOM 1316 CE MET A 84 -0.817 -11.536 -3.583 1.00 0.00 C ATOM 0 H MET A 84 -4.690 -8.249 -3.828 1.00 0.00 H new ATOM 0 HA MET A 84 -4.709 -11.054 -4.221 1.00 0.00 H new ATOM 0 HB2 MET A 84 -4.067 -9.099 -2.168 1.00 0.00 H new ATOM 0 HB3 MET A 84 -5.042 -10.367 -1.453 1.00 0.00 H new ATOM 0 HG2 MET A 84 -2.997 -11.423 -1.259 1.00 0.00 H new ATOM 0 HG3 MET A 84 -3.354 -11.931 -2.898 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.119 -11.163 -3.999 1.00 0.00 H new ATOM 0 HE2 MET A 84 -0.602 -12.282 -2.818 1.00 0.00 H new ATOM 0 HE3 MET A 84 -1.411 -11.991 -4.376 1.00 0.00 H new ATOM 1326 N TYR A 85 -7.296 -9.804 -2.587 1.00 0.00 N ATOM 1327 CA TYR A 85 -8.680 -10.056 -2.226 1.00 0.00 C ATOM 1328 C TYR A 85 -9.547 -10.245 -3.472 1.00 0.00 C ATOM 1329 O TYR A 85 -10.593 -10.889 -3.413 1.00 0.00 O ATOM 1330 CB TYR A 85 -9.153 -8.810 -1.474 1.00 0.00 C ATOM 1331 CG TYR A 85 -10.287 -9.075 -0.482 1.00 0.00 C ATOM 1332 CD1 TYR A 85 -10.033 -9.760 0.689 1.00 0.00 C ATOM 1333 CD2 TYR A 85 -11.563 -8.628 -0.757 1.00 0.00 C ATOM 1334 CE1 TYR A 85 -11.101 -10.009 1.623 1.00 0.00 C ATOM 1335 CE2 TYR A 85 -12.631 -8.877 0.177 1.00 0.00 C ATOM 1336 CZ TYR A 85 -12.347 -9.555 1.321 1.00 0.00 C ATOM 1337 OH TYR A 85 -13.355 -9.790 2.203 1.00 0.00 O ATOM 0 H TYR A 85 -6.921 -8.918 -2.248 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.761 -10.963 -1.626 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.308 -8.379 -0.937 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.484 -8.065 -2.198 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.034 -10.109 0.905 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -11.761 -8.091 -1.673 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -10.916 -10.544 2.543 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -13.634 -8.533 -0.027 1.00 0.00 H new ATOM 0 HH TYR A 85 -14.188 -9.408 1.857 1.00 0.00 H new ATOM 1347 N SER A 86 -9.079 -9.671 -4.571 1.00 0.00 N ATOM 1348 CA SER A 86 -9.799 -9.768 -5.830 1.00 0.00 C ATOM 1349 C SER A 86 -9.536 -11.128 -6.480 1.00 0.00 C ATOM 1350 O SER A 86 -10.428 -11.972 -6.544 1.00 0.00 O ATOM 1351 CB SER A 86 -9.398 -8.639 -6.782 1.00 0.00 C ATOM 1352 OG SER A 86 -9.914 -7.379 -6.361 1.00 0.00 O ATOM 0 H SER A 86 -8.211 -9.138 -4.616 1.00 0.00 H new ATOM 0 HA SER A 86 -10.865 -9.671 -5.623 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.311 -8.584 -6.842 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.762 -8.863 -7.785 1.00 0.00 H new ATOM 0 HG SER A 86 -9.327 -6.998 -5.675 1.00 0.00 H new ATOM 1358 N ASP A 87 -8.307 -11.298 -6.946 1.00 0.00 N ATOM 1359 CA ASP A 87 -7.915 -12.541 -7.588 1.00 0.00 C ATOM 1360 C ASP A 87 -8.281 -13.717 -6.680 1.00 0.00 C ATOM 1361 O ASP A 87 -8.518 -14.825 -7.159 1.00 0.00 O ATOM 1362 CB ASP A 87 -6.405 -12.583 -7.831 1.00 0.00 C ATOM 1363 CG ASP A 87 -5.920 -13.761 -8.678 1.00 0.00 C ATOM 1364 OD1 ASP A 87 -6.323 -13.922 -9.840 1.00 0.00 O ATOM 1365 OD2 ASP A 87 -5.080 -14.545 -8.092 1.00 0.00 O ATOM 0 H ASP A 87 -7.570 -10.595 -6.892 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.436 -12.606 -8.543 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.105 -11.656 -8.319 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.898 -12.615 -6.867 1.00 0.00 H new ATOM 1370 N TYR A 88 -8.316 -13.435 -5.386 1.00 0.00 N ATOM 1371 CA TYR A 88 -8.650 -14.456 -4.407 1.00 0.00 C ATOM 1372 C TYR A 88 -9.887 -15.245 -4.838 1.00 0.00 C ATOM 1373 O TYR A 88 -9.962 -16.454 -4.625 1.00 0.00 O ATOM 1374 CB TYR A 88 -8.962 -13.708 -3.109 1.00 0.00 C ATOM 1375 CG TYR A 88 -9.857 -14.487 -2.143 1.00 0.00 C ATOM 1376 CD1 TYR A 88 -9.457 -15.722 -1.674 1.00 0.00 C ATOM 1377 CD2 TYR A 88 -11.065 -13.954 -1.741 1.00 0.00 C ATOM 1378 CE1 TYR A 88 -10.300 -16.454 -0.765 1.00 0.00 C ATOM 1379 CE2 TYR A 88 -11.908 -14.687 -0.832 1.00 0.00 C ATOM 1380 CZ TYR A 88 -11.484 -15.901 -0.389 1.00 0.00 C ATOM 1381 OH TYR A 88 -12.280 -16.593 0.470 1.00 0.00 O ATOM 0 H TYR A 88 -8.119 -12.515 -4.993 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.829 -15.164 -4.295 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.025 -13.467 -2.606 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.445 -12.762 -3.354 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.512 -16.139 -1.989 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -11.378 -12.988 -2.108 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -9.999 -17.421 -0.390 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -12.856 -14.282 -0.509 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.093 -16.076 0.651 1.00 0.00 H new ATOM 1391 N VAL A 89 -10.828 -14.529 -5.435 1.00 0.00 N ATOM 1392 CA VAL A 89 -12.059 -15.148 -5.898 1.00 0.00 C ATOM 1393 C VAL A 89 -11.739 -16.510 -6.515 1.00 0.00 C ATOM 1394 O VAL A 89 -11.911 -17.544 -5.871 1.00 0.00 O ATOM 1395 CB VAL A 89 -12.786 -14.209 -6.863 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -13.931 -14.933 -7.574 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -13.292 -12.961 -6.138 1.00 0.00 C ATOM 0 H VAL A 89 -10.763 -13.526 -5.609 1.00 0.00 H new ATOM 0 HA VAL A 89 -12.737 -15.322 -5.063 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.071 -13.888 -7.621 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -14.431 -14.243 -8.254 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -13.533 -15.776 -8.140 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -14.646 -15.297 -6.836 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.805 -12.311 -6.847 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.984 -13.254 -5.349 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -12.448 -12.427 -5.701 1.00 0.00 H new