USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 486 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 TYR OH : rot 180:sc= 0.0138 USER MOD Set 1.2: A 71 CYS SG : rot 57:sc= 0.0157 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.123 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 180:sc= -0.797! USER MOD Single : A 28 SER OG : rot 180:sc= -0.0871 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=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 -70:sc= -0.0178! 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 84:sc= 1.14 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N CYS A 16 7.389 -5.745 -8.855 1.00 0.00 N ATOM 245 CA CYS A 16 6.188 -5.962 -8.068 1.00 0.00 C ATOM 246 C CYS A 16 6.559 -6.808 -6.848 1.00 0.00 C ATOM 247 O CYS A 16 6.779 -6.274 -5.762 1.00 0.00 O ATOM 248 CB CYS A 16 5.078 -6.612 -8.896 1.00 0.00 C ATOM 249 SG CYS A 16 4.271 -5.357 -9.956 1.00 0.00 S ATOM 0 HA CYS A 16 5.790 -5.003 -7.737 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.493 -7.409 -9.513 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.342 -7.070 -8.236 1.00 0.00 H new ATOM 0 HG CYS A 16 3.332 -5.920 -10.657 1.00 0.00 H new ATOM 255 N VAL A 17 6.618 -8.113 -7.068 1.00 0.00 N ATOM 256 CA VAL A 17 6.959 -9.038 -6.001 1.00 0.00 C ATOM 257 C VAL A 17 7.994 -10.041 -6.513 1.00 0.00 C ATOM 258 O VAL A 17 9.048 -10.217 -5.903 1.00 0.00 O ATOM 259 CB VAL A 17 5.692 -9.707 -5.464 1.00 0.00 C ATOM 260 CG1 VAL A 17 4.730 -8.671 -4.880 1.00 0.00 C ATOM 261 CG2 VAL A 17 5.008 -10.539 -6.551 1.00 0.00 C ATOM 0 H VAL A 17 6.435 -8.552 -7.970 1.00 0.00 H new ATOM 0 HA VAL A 17 7.409 -8.506 -5.163 1.00 0.00 H new ATOM 0 HB VAL A 17 5.985 -10.382 -4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.838 -9.173 -4.506 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.218 -8.141 -4.062 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.447 -7.959 -5.656 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.110 -11.004 -6.143 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.735 -9.893 -7.386 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.691 -11.314 -6.900 1.00 0.00 H new ATOM 271 N SER A 18 7.658 -10.673 -7.628 1.00 0.00 N ATOM 272 CA SER A 18 8.545 -11.655 -8.228 1.00 0.00 C ATOM 273 C SER A 18 9.041 -12.634 -7.162 1.00 0.00 C ATOM 274 O SER A 18 8.601 -12.582 -6.015 1.00 0.00 O ATOM 275 CB SER A 18 9.731 -10.976 -8.917 1.00 0.00 C ATOM 276 OG SER A 18 10.329 -11.816 -9.901 1.00 0.00 O ATOM 0 H SER A 18 6.784 -10.524 -8.132 1.00 0.00 H new ATOM 0 HA SER A 18 7.985 -12.205 -8.984 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.397 -10.050 -9.385 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.477 -10.704 -8.170 1.00 0.00 H new ATOM 0 HG SER A 18 11.081 -11.346 -10.319 1.00 0.00 H new ATOM 282 N GLU A 19 9.948 -13.504 -7.580 1.00 0.00 N ATOM 283 CA GLU A 19 10.508 -14.494 -6.675 1.00 0.00 C ATOM 284 C GLU A 19 11.248 -13.805 -5.527 1.00 0.00 C ATOM 285 O GLU A 19 11.427 -14.391 -4.460 1.00 0.00 O ATOM 286 CB GLU A 19 11.432 -15.459 -7.422 1.00 0.00 C ATOM 287 CG GLU A 19 12.667 -14.732 -7.956 1.00 0.00 C ATOM 288 CD GLU A 19 13.276 -15.484 -9.142 1.00 0.00 C ATOM 289 OE1 GLU A 19 12.538 -15.982 -10.005 1.00 0.00 O ATOM 290 OE2 GLU A 19 14.565 -15.542 -9.147 1.00 0.00 O ATOM 0 H GLU A 19 10.309 -13.544 -8.533 1.00 0.00 H new ATOM 0 HA GLU A 19 9.689 -15.078 -6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.740 -16.264 -6.754 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.891 -15.920 -8.249 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.395 -13.722 -8.262 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.408 -14.636 -7.163 1.00 0.00 H new ATOM 297 N LYS A 20 11.657 -12.572 -5.784 1.00 0.00 N ATOM 298 CA LYS A 20 12.373 -11.797 -4.785 1.00 0.00 C ATOM 299 C LYS A 20 11.517 -11.688 -3.521 1.00 0.00 C ATOM 300 O LYS A 20 11.860 -12.254 -2.484 1.00 0.00 O ATOM 301 CB LYS A 20 12.797 -10.444 -5.358 1.00 0.00 C ATOM 302 CG LYS A 20 13.972 -9.859 -4.572 1.00 0.00 C ATOM 303 CD LYS A 20 15.308 -10.307 -5.168 1.00 0.00 C ATOM 304 CE LYS A 20 16.367 -9.213 -5.025 1.00 0.00 C ATOM 305 NZ LYS A 20 17.415 -9.367 -6.059 1.00 0.00 N ATOM 0 H LYS A 20 11.506 -12.090 -6.670 1.00 0.00 H new ATOM 0 HA LYS A 20 13.297 -12.301 -4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.077 -10.560 -6.405 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.955 -9.753 -5.328 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.913 -8.771 -4.579 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.910 -10.174 -3.530 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.647 -11.214 -4.668 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.176 -10.554 -6.221 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.900 -8.232 -5.116 1.00 0.00 H new ATOM 0 HE3 LYS A 20 16.817 -9.261 -4.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 18.126 -8.616 -5.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.872 -10.295 -5.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 16.984 -9.298 -7.003 1.00 0.00 H new ATOM 319 N LEU A 21 10.420 -10.957 -3.649 1.00 0.00 N ATOM 320 CA LEU A 21 9.513 -10.767 -2.530 1.00 0.00 C ATOM 321 C LEU A 21 8.953 -12.123 -2.096 1.00 0.00 C ATOM 322 O LEU A 21 8.894 -12.422 -0.904 1.00 0.00 O ATOM 323 CB LEU A 21 8.433 -9.741 -2.883 1.00 0.00 C ATOM 324 CG LEU A 21 7.917 -8.885 -1.725 1.00 0.00 C ATOM 325 CD1 LEU A 21 7.458 -9.760 -0.558 1.00 0.00 C ATOM 326 CD2 LEU A 21 8.966 -7.858 -1.293 1.00 0.00 C ATOM 0 H LEU A 21 10.139 -10.489 -4.511 1.00 0.00 H new ATOM 0 HA LEU A 21 10.047 -10.353 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.828 -9.077 -3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.587 -10.270 -3.323 1.00 0.00 H new ATOM 0 HG LEU A 21 7.046 -8.330 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.096 -9.126 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.655 -10.418 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.295 -10.360 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.574 -7.262 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.870 -8.375 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.202 -7.204 -2.133 1.00 0.00 H new ATOM 338 N LEU A 22 8.558 -12.909 -3.086 1.00 0.00 N ATOM 339 CA LEU A 22 8.005 -14.226 -2.822 1.00 0.00 C ATOM 340 C LEU A 22 8.914 -14.968 -1.840 1.00 0.00 C ATOM 341 O LEU A 22 8.433 -15.623 -0.916 1.00 0.00 O ATOM 342 CB LEU A 22 7.770 -14.981 -4.132 1.00 0.00 C ATOM 343 CG LEU A 22 6.655 -16.029 -4.111 1.00 0.00 C ATOM 344 CD1 LEU A 22 5.981 -16.139 -5.480 1.00 0.00 C ATOM 345 CD2 LEU A 22 7.180 -17.379 -3.620 1.00 0.00 C ATOM 0 H LEU A 22 8.610 -12.659 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 22 7.026 -14.141 -2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.544 -14.254 -4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.700 -15.474 -4.416 1.00 0.00 H new ATOM 0 HG LEU A 22 5.893 -15.704 -3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.193 -16.890 -5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.550 -15.175 -5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.720 -16.430 -6.227 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.367 -18.105 -3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.972 -17.725 -4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.576 -17.270 -2.610 1.00 0.00 H new ATOM 357 N ARG A 23 10.212 -14.840 -2.072 1.00 0.00 N ATOM 358 CA ARG A 23 11.193 -15.490 -1.219 1.00 0.00 C ATOM 359 C ARG A 23 11.333 -14.731 0.102 1.00 0.00 C ATOM 360 O ARG A 23 11.538 -15.339 1.152 1.00 0.00 O ATOM 361 CB ARG A 23 12.559 -15.561 -1.905 1.00 0.00 C ATOM 362 CG ARG A 23 13.526 -16.442 -1.112 1.00 0.00 C ATOM 363 CD ARG A 23 14.877 -16.550 -1.821 1.00 0.00 C ATOM 364 NE ARG A 23 15.681 -15.335 -1.567 1.00 0.00 N ATOM 365 CZ ARG A 23 16.886 -15.093 -2.126 1.00 0.00 C ATOM 366 NH1 ARG A 23 17.437 -15.984 -2.978 1.00 0.00 N ATOM 367 NH2 ARG A 23 17.518 -13.973 -1.827 1.00 0.00 N ATOM 0 H ARG A 23 10.608 -14.296 -2.839 1.00 0.00 H new ATOM 0 HA ARG A 23 10.843 -16.504 -1.025 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.443 -15.958 -2.913 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.973 -14.558 -2.003 1.00 0.00 H new ATOM 0 HG2 ARG A 23 13.667 -16.026 -0.114 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.097 -17.436 -0.985 1.00 0.00 H new ATOM 0 HD2 ARG A 23 15.413 -17.431 -1.468 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.725 -16.678 -2.893 1.00 0.00 H new ATOM 0 HE ARG A 23 15.301 -14.636 -0.929 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.942 -16.847 -3.203 1.00 0.00 H new ATOM 0 HH12 ARG A 23 18.348 -15.794 -3.396 1.00 0.00 H new ATOM 0 HH21 ARG A 23 17.095 -13.305 -1.182 1.00 0.00 H new ATOM 0 HH22 ARG A 23 18.429 -13.775 -2.241 1.00 0.00 H new ATOM 381 N LYS A 24 11.216 -13.415 0.007 1.00 0.00 N ATOM 382 CA LYS A 24 11.327 -12.567 1.182 1.00 0.00 C ATOM 383 C LYS A 24 10.272 -12.985 2.209 1.00 0.00 C ATOM 384 O LYS A 24 10.605 -13.539 3.255 1.00 0.00 O ATOM 385 CB LYS A 24 11.249 -11.091 0.787 1.00 0.00 C ATOM 386 CG LYS A 24 11.646 -10.189 1.957 1.00 0.00 C ATOM 387 CD LYS A 24 10.987 -8.813 1.837 1.00 0.00 C ATOM 388 CE LYS A 24 11.629 -7.812 2.799 1.00 0.00 C ATOM 389 NZ LYS A 24 12.321 -6.741 2.048 1.00 0.00 N ATOM 0 H LYS A 24 11.045 -12.915 -0.865 1.00 0.00 H new ATOM 0 HA LYS A 24 12.301 -12.696 1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.907 -10.903 -0.062 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.236 -10.850 0.465 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.352 -10.656 2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.730 -10.076 1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.079 -8.450 0.813 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.921 -8.896 2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.865 -7.377 3.443 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.338 -8.326 3.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.751 -6.070 2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.063 -7.159 1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.636 -6.240 1.447 1.00 0.00 H new ATOM 403 N THR A 25 9.022 -12.704 1.873 1.00 0.00 N ATOM 404 CA THR A 25 7.916 -13.044 2.753 1.00 0.00 C ATOM 405 C THR A 25 8.131 -14.428 3.369 1.00 0.00 C ATOM 406 O THR A 25 8.648 -14.544 4.479 1.00 0.00 O ATOM 407 CB THR A 25 6.620 -12.932 1.948 1.00 0.00 C ATOM 408 OG1 THR A 25 5.759 -13.901 2.540 1.00 0.00 O ATOM 409 CG2 THR A 25 6.784 -13.412 0.504 1.00 0.00 C ATOM 0 H THR A 25 8.750 -12.245 1.004 1.00 0.00 H new ATOM 0 HA THR A 25 7.853 -12.354 3.595 1.00 0.00 H new ATOM 0 HB THR A 25 6.280 -11.896 1.950 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.894 -13.895 2.079 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.835 -13.311 -0.023 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.542 -12.809 0.004 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.091 -14.458 0.501 1.00 0.00 H new ATOM 417 N ARG A 26 7.724 -15.443 2.622 1.00 0.00 N ATOM 418 CA ARG A 26 7.865 -16.815 3.081 1.00 0.00 C ATOM 419 C ARG A 26 7.570 -16.906 4.579 1.00 0.00 C ATOM 420 O ARG A 26 8.487 -16.868 5.399 1.00 0.00 O ATOM 421 CB ARG A 26 9.276 -17.343 2.812 1.00 0.00 C ATOM 422 CG ARG A 26 9.251 -18.473 1.782 1.00 0.00 C ATOM 423 CD ARG A 26 10.463 -19.393 1.948 1.00 0.00 C ATOM 424 NE ARG A 26 10.339 -20.172 3.201 1.00 0.00 N ATOM 425 CZ ARG A 26 11.057 -21.281 3.476 1.00 0.00 C ATOM 426 NH1 ARG A 26 11.959 -21.752 2.589 1.00 0.00 N ATOM 427 NH2 ARG A 26 10.865 -21.898 4.627 1.00 0.00 N ATOM 0 H ARG A 26 7.296 -15.343 1.701 1.00 0.00 H new ATOM 0 HA ARG A 26 7.150 -17.425 2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.909 -16.532 2.452 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.717 -17.703 3.742 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.333 -19.051 1.893 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.244 -18.053 0.776 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.537 -20.069 1.096 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.379 -18.802 1.966 1.00 0.00 H new ATOM 0 HE ARG A 26 9.669 -19.850 3.900 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.102 -21.269 1.702 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.497 -22.591 2.806 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.182 -21.535 5.292 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.399 -22.738 4.851 1.00 0.00 H new ATOM 441 N GLU A 27 6.288 -17.025 4.892 1.00 0.00 N ATOM 442 CA GLU A 27 5.862 -17.122 6.277 1.00 0.00 C ATOM 443 C GLU A 27 4.357 -17.389 6.352 1.00 0.00 C ATOM 444 O GLU A 27 3.786 -18.003 5.451 1.00 0.00 O ATOM 445 CB GLU A 27 6.234 -15.859 7.055 1.00 0.00 C ATOM 446 CG GLU A 27 6.649 -16.199 8.488 1.00 0.00 C ATOM 447 CD GLU A 27 6.574 -14.965 9.389 1.00 0.00 C ATOM 448 OE1 GLU A 27 6.819 -13.842 8.923 1.00 0.00 O ATOM 449 OE2 GLU A 27 6.245 -15.203 10.613 1.00 0.00 O ATOM 0 H GLU A 27 5.531 -17.056 4.210 1.00 0.00 H new ATOM 0 HA GLU A 27 6.384 -17.960 6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.050 -15.343 6.549 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.386 -15.175 7.071 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.000 -16.981 8.882 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.664 -16.595 8.492 1.00 0.00 H new ATOM 456 N SER A 28 3.757 -16.915 7.433 1.00 0.00 N ATOM 457 CA SER A 28 2.329 -17.094 7.637 1.00 0.00 C ATOM 458 C SER A 28 1.567 -16.704 6.369 1.00 0.00 C ATOM 459 O SER A 28 2.159 -16.211 5.411 1.00 0.00 O ATOM 460 CB SER A 28 1.835 -16.270 8.828 1.00 0.00 C ATOM 461 OG SER A 28 1.375 -17.096 9.894 1.00 0.00 O ATOM 0 H SER A 28 4.234 -16.407 8.178 1.00 0.00 H new ATOM 0 HA SER A 28 2.144 -18.146 7.856 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.642 -15.631 9.187 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.028 -15.613 8.504 1.00 0.00 H new ATOM 0 HG SER A 28 1.070 -16.533 10.636 1.00 0.00 H new ATOM 467 N PRO A 29 0.229 -16.947 6.405 1.00 0.00 N ATOM 468 CA PRO A 29 -0.620 -16.627 5.271 1.00 0.00 C ATOM 469 C PRO A 29 -0.862 -15.120 5.175 1.00 0.00 C ATOM 470 O PRO A 29 -0.173 -14.334 5.824 1.00 0.00 O ATOM 471 CB PRO A 29 -1.897 -17.420 5.500 1.00 0.00 C ATOM 472 CG PRO A 29 -1.901 -17.786 6.975 1.00 0.00 C ATOM 473 CD PRO A 29 -0.507 -17.531 7.523 1.00 0.00 C ATOM 0 HA PRO A 29 -0.166 -16.894 4.317 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.776 -16.829 5.242 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.919 -18.313 4.876 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.638 -17.190 7.514 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.178 -18.832 7.108 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.535 -16.853 8.376 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.041 -18.455 7.865 1.00 0.00 H new ATOM 481 N LEU A 30 -1.843 -14.760 4.360 1.00 0.00 N ATOM 482 CA LEU A 30 -2.184 -13.361 4.171 1.00 0.00 C ATOM 483 C LEU A 30 -3.273 -12.966 5.170 1.00 0.00 C ATOM 484 O LEU A 30 -3.465 -11.784 5.450 1.00 0.00 O ATOM 485 CB LEU A 30 -2.562 -13.094 2.712 1.00 0.00 C ATOM 486 CG LEU A 30 -3.997 -13.446 2.316 1.00 0.00 C ATOM 487 CD1 LEU A 30 -4.652 -12.295 1.549 1.00 0.00 C ATOM 488 CD2 LEU A 30 -4.043 -14.758 1.530 1.00 0.00 C ATOM 0 H LEU A 30 -2.413 -15.414 3.823 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.320 -12.728 4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.397 -12.037 2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.881 -13.656 2.072 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.576 -13.596 3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.671 -12.571 1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.671 -11.404 2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.080 -12.089 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.075 -14.985 1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.445 -14.661 0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.643 -15.564 2.144 1.00 0.00 H new ATOM 500 N VAL A 31 -3.958 -13.979 5.681 1.00 0.00 N ATOM 501 CA VAL A 31 -5.023 -13.752 6.644 1.00 0.00 C ATOM 502 C VAL A 31 -4.575 -12.694 7.653 1.00 0.00 C ATOM 503 O VAL A 31 -5.287 -11.720 7.895 1.00 0.00 O ATOM 504 CB VAL A 31 -5.423 -15.074 7.301 1.00 0.00 C ATOM 505 CG1 VAL A 31 -5.615 -14.900 8.809 1.00 0.00 C ATOM 506 CG2 VAL A 31 -6.683 -15.650 6.652 1.00 0.00 C ATOM 0 H VAL A 31 -3.796 -14.958 5.447 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.914 -13.369 6.146 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.611 -15.784 7.145 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.899 -15.854 9.252 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.683 -14.555 9.257 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.400 -14.166 8.994 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.945 -16.590 7.138 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.505 -14.943 6.762 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.498 -15.829 5.593 1.00 0.00 H new ATOM 516 N PRO A 32 -3.366 -12.926 8.231 1.00 0.00 N ATOM 517 CA PRO A 32 -2.814 -12.004 9.210 1.00 0.00 C ATOM 518 C PRO A 32 -2.286 -10.737 8.533 1.00 0.00 C ATOM 519 O PRO A 32 -2.804 -9.645 8.761 1.00 0.00 O ATOM 520 CB PRO A 32 -1.729 -12.791 9.925 1.00 0.00 C ATOM 521 CG PRO A 32 -1.397 -13.963 9.015 1.00 0.00 C ATOM 522 CD PRO A 32 -2.495 -14.068 7.970 1.00 0.00 C ATOM 0 HA PRO A 32 -3.561 -11.647 9.919 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.849 -12.172 10.102 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.075 -13.138 10.899 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.429 -13.813 8.537 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -1.329 -14.886 9.591 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.086 -14.031 6.960 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.038 -15.009 8.060 1.00 0.00 H new ATOM 530 N ILE A 33 -1.263 -10.926 7.713 1.00 0.00 N ATOM 531 CA ILE A 33 -0.659 -9.812 7.001 1.00 0.00 C ATOM 532 C ILE A 33 -1.759 -8.861 6.523 1.00 0.00 C ATOM 533 O ILE A 33 -1.698 -7.659 6.776 1.00 0.00 O ATOM 534 CB ILE A 33 0.245 -10.321 5.877 1.00 0.00 C ATOM 535 CG1 ILE A 33 1.427 -11.114 6.439 1.00 0.00 C ATOM 536 CG2 ILE A 33 0.702 -9.172 4.977 1.00 0.00 C ATOM 537 CD1 ILE A 33 2.057 -11.998 5.362 1.00 0.00 C ATOM 0 H ILE A 33 -0.837 -11.834 7.526 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.011 -9.242 7.666 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.335 -11.004 5.257 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.175 -10.427 6.834 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.091 -11.732 7.271 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.343 -9.562 4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.169 -8.689 4.533 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.257 -8.445 5.569 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.894 -12.550 5.789 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.313 -12.700 4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.414 -11.374 4.542 1.00 0.00 H new ATOM 549 N GLY A 34 -2.739 -9.436 5.842 1.00 0.00 N ATOM 550 CA GLY A 34 -3.850 -8.655 5.326 1.00 0.00 C ATOM 551 C GLY A 34 -4.626 -7.988 6.464 1.00 0.00 C ATOM 552 O GLY A 34 -4.814 -6.773 6.463 1.00 0.00 O ATOM 0 H GLY A 34 -2.787 -10.434 5.636 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.477 -7.894 4.640 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.518 -9.299 4.754 1.00 0.00 H new ATOM 556 N LEU A 35 -5.054 -8.813 7.408 1.00 0.00 N ATOM 557 CA LEU A 35 -5.805 -8.318 8.550 1.00 0.00 C ATOM 558 C LEU A 35 -5.122 -7.064 9.099 1.00 0.00 C ATOM 559 O LEU A 35 -5.723 -5.991 9.134 1.00 0.00 O ATOM 560 CB LEU A 35 -5.989 -9.425 9.591 1.00 0.00 C ATOM 561 CG LEU A 35 -6.350 -8.963 11.004 1.00 0.00 C ATOM 562 CD1 LEU A 35 -7.846 -8.661 11.116 1.00 0.00 C ATOM 563 CD2 LEU A 35 -5.891 -9.983 12.048 1.00 0.00 C ATOM 0 H LEU A 35 -4.895 -9.821 7.406 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.811 -8.027 8.248 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.770 -10.100 9.240 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.067 -10.004 9.644 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.818 -8.034 11.207 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.076 -8.335 12.130 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.112 -7.873 10.412 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.417 -9.560 10.886 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.160 -9.630 13.044 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.376 -10.941 11.859 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.810 -10.106 11.986 1.00 0.00 H new ATOM 575 N GLY A 36 -3.877 -7.241 9.514 1.00 0.00 N ATOM 576 CA GLY A 36 -3.106 -6.137 10.061 1.00 0.00 C ATOM 577 C GLY A 36 -3.188 -4.909 9.152 1.00 0.00 C ATOM 578 O GLY A 36 -3.703 -3.867 9.556 1.00 0.00 O ATOM 0 H GLY A 36 -3.382 -8.132 9.483 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.479 -5.885 11.054 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.065 -6.438 10.178 1.00 0.00 H new ATOM 582 N GLY A 37 -2.673 -5.072 7.942 1.00 0.00 N ATOM 583 CA GLY A 37 -2.682 -3.990 6.973 1.00 0.00 C ATOM 584 C GLY A 37 -4.091 -3.419 6.801 1.00 0.00 C ATOM 585 O GLY A 37 -4.256 -2.298 6.322 1.00 0.00 O ATOM 0 H GLY A 37 -2.247 -5.937 7.611 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.003 -3.201 7.297 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.313 -4.353 6.014 1.00 0.00 H new ATOM 589 N CYS A 38 -5.071 -4.217 7.200 1.00 0.00 N ATOM 590 CA CYS A 38 -6.460 -3.805 7.096 1.00 0.00 C ATOM 591 C CYS A 38 -6.738 -2.770 8.188 1.00 0.00 C ATOM 592 O CYS A 38 -7.168 -1.655 7.896 1.00 0.00 O ATOM 593 CB CYS A 38 -7.412 -4.999 7.187 1.00 0.00 C ATOM 594 SG CYS A 38 -8.742 -4.835 5.941 1.00 0.00 S ATOM 0 H CYS A 38 -4.930 -5.146 7.596 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.636 -3.356 6.118 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.862 -5.926 7.024 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.843 -5.055 8.186 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.544 -5.855 6.025 1.00 0.00 H new ATOM 600 N LEU A 39 -6.480 -3.175 9.423 1.00 0.00 N ATOM 601 CA LEU A 39 -6.697 -2.297 10.560 1.00 0.00 C ATOM 602 C LEU A 39 -5.952 -0.980 10.330 1.00 0.00 C ATOM 603 O LEU A 39 -6.458 0.090 10.666 1.00 0.00 O ATOM 604 CB LEU A 39 -6.313 -3.001 11.862 1.00 0.00 C ATOM 605 CG LEU A 39 -7.199 -2.702 13.073 1.00 0.00 C ATOM 606 CD1 LEU A 39 -7.225 -3.887 14.040 1.00 0.00 C ATOM 607 CD2 LEU A 39 -6.763 -1.408 13.764 1.00 0.00 C ATOM 0 H LEU A 39 -6.122 -4.100 9.661 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.755 -2.053 10.657 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.323 -4.077 11.687 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.288 -2.728 12.111 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.220 -2.552 12.721 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.862 -3.648 14.892 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.618 -4.766 13.528 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.214 -4.093 14.390 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.409 -1.218 14.621 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.731 -1.505 14.101 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.838 -0.577 13.062 1.00 0.00 H new ATOM 619 N VAL A 40 -4.762 -1.101 9.760 1.00 0.00 N ATOM 620 CA VAL A 40 -3.943 0.066 9.482 1.00 0.00 C ATOM 621 C VAL A 40 -4.604 0.897 8.381 1.00 0.00 C ATOM 622 O VAL A 40 -5.053 2.015 8.627 1.00 0.00 O ATOM 623 CB VAL A 40 -2.518 -0.367 9.131 1.00 0.00 C ATOM 624 CG1 VAL A 40 -1.677 0.830 8.682 1.00 0.00 C ATOM 625 CG2 VAL A 40 -1.859 -1.089 10.307 1.00 0.00 C ATOM 0 H VAL A 40 -4.345 -1.990 9.483 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.868 0.699 10.366 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.576 -1.068 8.298 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.669 0.495 8.438 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.131 1.284 7.801 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.631 1.565 9.486 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.847 -1.386 10.031 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.819 -0.421 11.168 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.440 -1.975 10.562 1.00 0.00 H new ATOM 635 N VAL A 41 -4.642 0.318 7.189 1.00 0.00 N ATOM 636 CA VAL A 41 -5.241 0.991 6.049 1.00 0.00 C ATOM 637 C VAL A 41 -6.563 1.632 6.477 1.00 0.00 C ATOM 638 O VAL A 41 -6.686 2.856 6.497 1.00 0.00 O ATOM 639 CB VAL A 41 -5.401 0.010 4.887 1.00 0.00 C ATOM 640 CG1 VAL A 41 -6.507 0.466 3.932 1.00 0.00 C ATOM 641 CG2 VAL A 41 -4.078 -0.179 4.142 1.00 0.00 C ATOM 0 H VAL A 41 -4.268 -0.609 6.989 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.592 1.791 5.694 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.693 -0.955 5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.600 -0.249 3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.452 0.525 4.472 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.258 1.447 3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.220 -0.881 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.743 0.780 3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.327 -0.570 4.828 1.00 0.00 H new ATOM 651 N ALA A 42 -7.518 0.776 6.809 1.00 0.00 N ATOM 652 CA ALA A 42 -8.826 1.243 7.236 1.00 0.00 C ATOM 653 C ALA A 42 -8.655 2.436 8.179 1.00 0.00 C ATOM 654 O ALA A 42 -9.171 3.520 7.914 1.00 0.00 O ATOM 655 CB ALA A 42 -9.593 0.090 7.887 1.00 0.00 C ATOM 0 H ALA A 42 -7.412 -0.238 6.791 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.410 1.581 6.380 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.574 0.441 8.207 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.714 -0.719 7.167 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.038 -0.274 8.752 1.00 0.00 H new ATOM 661 N ALA A 43 -7.928 2.195 9.260 1.00 0.00 N ATOM 662 CA ALA A 43 -7.682 3.235 10.244 1.00 0.00 C ATOM 663 C ALA A 43 -7.297 4.530 9.525 1.00 0.00 C ATOM 664 O ALA A 43 -8.058 5.497 9.531 1.00 0.00 O ATOM 665 CB ALA A 43 -6.602 2.768 11.222 1.00 0.00 C ATOM 0 H ALA A 43 -7.501 1.294 9.476 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.583 3.435 10.824 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.418 3.548 11.960 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.936 1.862 11.728 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.682 2.560 10.676 1.00 0.00 H new ATOM 671 N TYR A 44 -6.117 4.507 8.923 1.00 0.00 N ATOM 672 CA TYR A 44 -5.622 5.667 8.202 1.00 0.00 C ATOM 673 C TYR A 44 -6.740 6.324 7.388 1.00 0.00 C ATOM 674 O TYR A 44 -6.741 7.539 7.198 1.00 0.00 O ATOM 675 CB TYR A 44 -4.551 5.143 7.244 1.00 0.00 C ATOM 676 CG TYR A 44 -4.334 6.023 6.011 1.00 0.00 C ATOM 677 CD1 TYR A 44 -3.825 7.297 6.154 1.00 0.00 C ATOM 678 CD2 TYR A 44 -4.647 5.542 4.756 1.00 0.00 C ATOM 679 CE1 TYR A 44 -3.620 8.126 4.994 1.00 0.00 C ATOM 680 CE2 TYR A 44 -4.442 6.370 3.596 1.00 0.00 C ATOM 681 CZ TYR A 44 -3.939 7.621 3.772 1.00 0.00 C ATOM 682 OH TYR A 44 -3.746 8.403 2.677 1.00 0.00 O ATOM 0 H TYR A 44 -5.489 3.703 8.920 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.234 6.413 8.895 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.608 5.053 7.784 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.829 4.141 6.918 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.580 7.673 7.136 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -5.046 4.545 4.644 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.222 9.125 5.092 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.682 6.006 2.608 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.016 7.912 1.873 1.00 0.00 H new ATOM 692 N ARG A 45 -7.663 5.491 6.931 1.00 0.00 N ATOM 693 CA ARG A 45 -8.783 5.976 6.142 1.00 0.00 C ATOM 694 C ARG A 45 -9.706 6.838 7.006 1.00 0.00 C ATOM 695 O ARG A 45 -9.840 8.038 6.771 1.00 0.00 O ATOM 696 CB ARG A 45 -9.585 4.814 5.553 1.00 0.00 C ATOM 697 CG ARG A 45 -10.096 5.156 4.151 1.00 0.00 C ATOM 698 CD ARG A 45 -11.455 5.856 4.218 1.00 0.00 C ATOM 699 NE ARG A 45 -12.457 5.091 3.442 1.00 0.00 N ATOM 700 CZ ARG A 45 -12.356 4.835 2.121 1.00 0.00 C ATOM 701 NH1 ARG A 45 -11.295 5.282 1.415 1.00 0.00 N ATOM 702 NH2 ARG A 45 -13.310 4.142 1.529 1.00 0.00 N ATOM 0 H ARG A 45 -7.659 4.484 7.092 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.380 6.575 5.325 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.960 3.922 5.509 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.427 4.582 6.204 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.376 5.799 3.645 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.181 4.245 3.559 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.777 5.945 5.256 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.372 6.868 3.822 1.00 0.00 H new ATOM 0 HE ARG A 45 -13.275 4.735 3.937 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.562 5.818 1.880 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.227 5.084 0.417 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.108 3.809 2.069 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.249 3.940 0.531 1.00 0.00 H new ATOM 716 N ILE A 46 -10.320 6.192 7.987 1.00 0.00 N ATOM 717 CA ILE A 46 -11.227 6.885 8.886 1.00 0.00 C ATOM 718 C ILE A 46 -10.537 8.135 9.436 1.00 0.00 C ATOM 719 O ILE A 46 -11.086 9.234 9.363 1.00 0.00 O ATOM 720 CB ILE A 46 -11.733 5.934 9.973 1.00 0.00 C ATOM 721 CG1 ILE A 46 -12.510 4.767 9.362 1.00 0.00 C ATOM 722 CG2 ILE A 46 -12.558 6.687 11.019 1.00 0.00 C ATOM 723 CD1 ILE A 46 -12.467 3.541 10.276 1.00 0.00 C ATOM 0 H ILE A 46 -10.207 5.197 8.179 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.114 7.220 8.349 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.869 5.512 10.487 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -13.545 5.063 9.194 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -12.088 4.515 8.389 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.906 5.988 11.780 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.941 7.454 11.486 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -13.416 7.155 10.537 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -13.027 2.726 9.818 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.432 3.233 10.423 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.911 3.790 11.240 1.00 0.00 H new ATOM 735 N TYR A 47 -9.344 7.926 9.973 1.00 0.00 N ATOM 736 CA TYR A 47 -8.574 9.023 10.535 1.00 0.00 C ATOM 737 C TYR A 47 -8.380 10.139 9.507 1.00 0.00 C ATOM 738 O TYR A 47 -8.791 11.276 9.734 1.00 0.00 O ATOM 739 CB TYR A 47 -7.208 8.437 10.898 1.00 0.00 C ATOM 740 CG TYR A 47 -6.402 9.296 11.875 1.00 0.00 C ATOM 741 CD1 TYR A 47 -5.911 10.521 11.472 1.00 0.00 C ATOM 742 CD2 TYR A 47 -6.166 8.845 13.157 1.00 0.00 C ATOM 743 CE1 TYR A 47 -5.152 11.329 12.392 1.00 0.00 C ATOM 744 CE2 TYR A 47 -5.408 9.653 14.077 1.00 0.00 C ATOM 745 CZ TYR A 47 -4.938 10.855 13.648 1.00 0.00 C ATOM 746 OH TYR A 47 -4.222 11.619 14.516 1.00 0.00 O ATOM 0 H TYR A 47 -8.892 7.014 10.031 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.087 9.451 11.396 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.352 7.448 11.333 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.628 8.302 9.985 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.096 10.874 10.468 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.550 7.886 13.471 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.762 12.290 12.091 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.217 9.312 15.084 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.149 11.155 15.376 1.00 0.00 H new ATOM 756 N ARG A 48 -7.753 9.776 8.398 1.00 0.00 N ATOM 757 CA ARG A 48 -7.499 10.732 7.334 1.00 0.00 C ATOM 758 C ARG A 48 -8.707 11.652 7.148 1.00 0.00 C ATOM 759 O ARG A 48 -8.577 12.874 7.207 1.00 0.00 O ATOM 760 CB ARG A 48 -7.200 10.021 6.013 1.00 0.00 C ATOM 761 CG ARG A 48 -7.002 11.029 4.879 1.00 0.00 C ATOM 762 CD ARG A 48 -5.537 11.080 4.440 1.00 0.00 C ATOM 763 NE ARG A 48 -4.962 12.408 4.749 1.00 0.00 N ATOM 764 CZ ARG A 48 -4.473 12.759 5.957 1.00 0.00 C ATOM 765 NH1 ARG A 48 -4.485 11.881 6.983 1.00 0.00 N ATOM 766 NH2 ARG A 48 -3.983 13.974 6.121 1.00 0.00 N ATOM 0 H ARG A 48 -7.413 8.832 8.213 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.628 11.322 7.620 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -6.305 9.409 6.120 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.020 9.346 5.766 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.630 10.756 4.031 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.322 12.018 5.207 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.969 10.301 4.949 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.462 10.882 3.371 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.933 13.102 4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.866 10.944 6.848 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.113 12.155 7.893 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.978 14.631 5.341 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.610 14.255 7.028 1.00 0.00 H new ATOM 780 N LEU A 49 -9.856 11.030 6.926 1.00 0.00 N ATOM 781 CA LEU A 49 -11.086 11.778 6.730 1.00 0.00 C ATOM 782 C LEU A 49 -11.393 12.585 7.993 1.00 0.00 C ATOM 783 O LEU A 49 -11.157 13.791 8.036 1.00 0.00 O ATOM 784 CB LEU A 49 -12.220 10.842 6.308 1.00 0.00 C ATOM 785 CG LEU A 49 -12.569 10.841 4.818 1.00 0.00 C ATOM 786 CD1 LEU A 49 -12.945 9.436 4.344 1.00 0.00 C ATOM 787 CD2 LEU A 49 -13.666 11.862 4.511 1.00 0.00 C ATOM 0 H LEU A 49 -9.961 10.017 6.878 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.972 12.492 5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.953 9.826 6.599 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -13.114 11.110 6.870 1.00 0.00 H new ATOM 0 HG LEU A 49 -11.683 11.143 4.260 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -13.189 9.463 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -12.105 8.760 4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -13.810 9.082 4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -13.895 11.841 3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -14.562 11.615 5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -13.323 12.859 4.789 1.00 0.00 H new ATOM 799 N ARG A 50 -11.916 11.887 8.991 1.00 0.00 N ATOM 800 CA ARG A 50 -12.258 12.524 10.251 1.00 0.00 C ATOM 801 C ARG A 50 -13.165 13.731 10.007 1.00 0.00 C ATOM 802 O ARG A 50 -14.388 13.602 9.999 1.00 0.00 O ATOM 803 CB ARG A 50 -11.002 12.980 10.996 1.00 0.00 C ATOM 804 CG ARG A 50 -11.363 13.887 12.174 1.00 0.00 C ATOM 805 CD ARG A 50 -10.573 13.501 13.426 1.00 0.00 C ATOM 806 NE ARG A 50 -9.446 14.440 13.624 1.00 0.00 N ATOM 807 CZ ARG A 50 -9.592 15.728 14.002 1.00 0.00 C ATOM 808 NH1 ARG A 50 -10.820 16.241 14.227 1.00 0.00 N ATOM 809 NH2 ARG A 50 -8.515 16.478 14.149 1.00 0.00 N ATOM 0 H ARG A 50 -12.111 10.887 8.952 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.783 11.790 10.862 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.453 12.110 11.357 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.342 13.512 10.311 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -11.156 14.925 11.915 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.431 13.816 12.378 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.227 13.516 14.298 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.196 12.483 13.328 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.500 14.092 13.465 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.647 15.655 14.112 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.921 17.215 14.512 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -7.591 16.082 13.978 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -8.608 17.453 14.434 1.00 0.00 H new ATOM 1045 N ARG A 65 4.641 13.631 6.084 1.00 0.00 N ATOM 1046 CA ARG A 65 4.493 13.079 7.420 1.00 0.00 C ATOM 1047 C ARG A 65 3.739 11.749 7.364 1.00 0.00 C ATOM 1048 O ARG A 65 3.634 11.135 6.303 1.00 0.00 O ATOM 1049 CB ARG A 65 3.739 14.046 8.335 1.00 0.00 C ATOM 1050 CG ARG A 65 4.585 14.420 9.553 1.00 0.00 C ATOM 1051 CD ARG A 65 5.444 15.654 9.268 1.00 0.00 C ATOM 1052 NE ARG A 65 6.393 15.879 10.381 1.00 0.00 N ATOM 1053 CZ ARG A 65 7.465 15.098 10.631 1.00 0.00 C ATOM 1054 NH1 ARG A 65 7.734 14.032 9.848 1.00 0.00 N ATOM 1055 NH2 ARG A 65 8.246 15.392 11.653 1.00 0.00 N ATOM 0 HA ARG A 65 5.492 12.918 7.825 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.476 14.947 7.780 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.805 13.589 8.663 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.935 14.615 10.406 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.226 13.582 9.826 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.991 15.519 8.335 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.807 16.529 9.140 1.00 0.00 H new ATOM 0 HE ARG A 65 6.227 16.674 10.998 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.125 13.811 9.060 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.546 13.447 10.044 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.035 16.199 12.240 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.060 14.812 11.856 1.00 0.00 H new ATOM 1069 N VAL A 66 3.234 11.342 8.519 1.00 0.00 N ATOM 1070 CA VAL A 66 2.493 10.096 8.615 1.00 0.00 C ATOM 1071 C VAL A 66 1.574 9.959 7.400 1.00 0.00 C ATOM 1072 O VAL A 66 1.587 8.934 6.720 1.00 0.00 O ATOM 1073 CB VAL A 66 1.738 10.037 9.945 1.00 0.00 C ATOM 1074 CG1 VAL A 66 0.778 8.846 9.978 1.00 0.00 C ATOM 1075 CG2 VAL A 66 2.710 9.991 11.126 1.00 0.00 C ATOM 0 H VAL A 66 3.323 11.853 9.397 1.00 0.00 H new ATOM 0 HA VAL A 66 3.174 9.245 8.605 1.00 0.00 H new ATOM 0 HB VAL A 66 1.145 10.947 10.034 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.254 8.827 10.934 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.054 8.940 9.169 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.341 7.921 9.855 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.148 9.950 12.059 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.341 9.106 11.043 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.334 10.884 11.118 1.00 0.00 H new ATOM 1085 N ALA A 67 0.798 11.007 7.163 1.00 0.00 N ATOM 1086 CA ALA A 67 -0.125 11.017 6.042 1.00 0.00 C ATOM 1087 C ALA A 67 0.548 10.376 4.827 1.00 0.00 C ATOM 1088 O ALA A 67 0.130 9.313 4.370 1.00 0.00 O ATOM 1089 CB ALA A 67 -0.580 12.452 5.767 1.00 0.00 C ATOM 0 H ALA A 67 0.790 11.855 7.729 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.015 10.432 6.273 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.273 12.459 4.925 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.078 12.851 6.650 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.286 13.069 5.529 1.00 0.00 H new ATOM 1095 N ALA A 68 1.579 11.048 4.338 1.00 0.00 N ATOM 1096 CA ALA A 68 2.315 10.557 3.185 1.00 0.00 C ATOM 1097 C ALA A 68 2.624 9.071 3.377 1.00 0.00 C ATOM 1098 O ALA A 68 2.300 8.250 2.520 1.00 0.00 O ATOM 1099 CB ALA A 68 3.580 11.396 2.991 1.00 0.00 C ATOM 0 H ALA A 68 1.923 11.929 4.719 1.00 0.00 H new ATOM 0 HA ALA A 68 1.717 10.655 2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.132 11.028 2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.304 12.438 2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.206 11.321 3.880 1.00 0.00 H new ATOM 1105 N GLN A 69 3.246 8.771 4.508 1.00 0.00 N ATOM 1106 CA GLN A 69 3.602 7.398 4.824 1.00 0.00 C ATOM 1107 C GLN A 69 2.425 6.464 4.534 1.00 0.00 C ATOM 1108 O GLN A 69 2.492 5.640 3.623 1.00 0.00 O ATOM 1109 CB GLN A 69 4.057 7.271 6.279 1.00 0.00 C ATOM 1110 CG GLN A 69 4.850 5.980 6.495 1.00 0.00 C ATOM 1111 CD GLN A 69 4.883 5.598 7.976 1.00 0.00 C ATOM 1112 OE1 GLN A 69 4.067 4.834 8.465 1.00 0.00 O ATOM 1113 NE2 GLN A 69 5.870 6.170 8.660 1.00 0.00 N ATOM 0 H GLN A 69 3.512 9.455 5.216 1.00 0.00 H new ATOM 0 HA GLN A 69 4.438 7.105 4.189 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.673 8.129 6.547 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.189 7.283 6.938 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.401 5.172 5.917 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.868 6.108 6.126 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.519 6.800 8.189 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.978 5.978 9.656 1.00 0.00 H new ATOM 1122 N ALA A 70 1.375 6.624 5.325 1.00 0.00 N ATOM 1123 CA ALA A 70 0.185 5.805 5.165 1.00 0.00 C ATOM 1124 C ALA A 70 -0.272 5.859 3.706 1.00 0.00 C ATOM 1125 O ALA A 70 -0.974 4.964 3.238 1.00 0.00 O ATOM 1126 CB ALA A 70 -0.898 6.283 6.133 1.00 0.00 C ATOM 0 H ALA A 70 1.323 7.309 6.079 1.00 0.00 H new ATOM 0 HA ALA A 70 0.400 4.764 5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.790 5.669 6.013 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.534 6.198 7.157 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.143 7.324 5.920 1.00 0.00 H new ATOM 1132 N CYS A 71 0.144 6.918 3.027 1.00 0.00 N ATOM 1133 CA CYS A 71 -0.214 7.100 1.630 1.00 0.00 C ATOM 1134 C CYS A 71 0.574 6.087 0.796 1.00 0.00 C ATOM 1135 O CYS A 71 0.000 5.371 -0.022 1.00 0.00 O ATOM 1136 CB CYS A 71 0.032 8.536 1.166 1.00 0.00 C ATOM 1137 SG CYS A 71 -1.368 9.109 0.136 1.00 0.00 S ATOM 0 H CYS A 71 0.726 7.659 3.418 1.00 0.00 H new ATOM 0 HA CYS A 71 -1.282 6.924 1.499 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.151 9.191 2.029 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.959 8.589 0.596 1.00 0.00 H new ATOM 0 HG CYS A 71 -2.475 9.001 0.809 1.00 0.00 H new ATOM 1143 N ALA A 72 1.877 6.061 1.033 1.00 0.00 N ATOM 1144 CA ALA A 72 2.750 5.149 0.314 1.00 0.00 C ATOM 1145 C ALA A 72 2.363 3.707 0.651 1.00 0.00 C ATOM 1146 O ALA A 72 1.896 2.968 -0.215 1.00 0.00 O ATOM 1147 CB ALA A 72 4.208 5.457 0.660 1.00 0.00 C ATOM 0 H ALA A 72 2.349 6.657 1.713 1.00 0.00 H new ATOM 0 HA ALA A 72 2.636 5.278 -0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.862 4.772 0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.441 6.483 0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.361 5.335 1.732 1.00 0.00 H new ATOM 1153 N VAL A 73 2.570 3.351 1.910 1.00 0.00 N ATOM 1154 CA VAL A 73 2.248 2.012 2.372 1.00 0.00 C ATOM 1155 C VAL A 73 0.792 1.694 2.027 1.00 0.00 C ATOM 1156 O VAL A 73 0.456 0.549 1.729 1.00 0.00 O ATOM 1157 CB VAL A 73 2.550 1.887 3.867 1.00 0.00 C ATOM 1158 CG1 VAL A 73 4.047 2.050 4.139 1.00 0.00 C ATOM 1159 CG2 VAL A 73 1.733 2.895 4.677 1.00 0.00 C ATOM 0 H VAL A 73 2.957 3.967 2.625 1.00 0.00 H new ATOM 0 HA VAL A 73 2.870 1.274 1.866 1.00 0.00 H new ATOM 0 HB VAL A 73 2.258 0.886 4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.235 1.957 5.209 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.600 1.277 3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.374 3.032 3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.966 2.785 5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.980 3.906 4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.670 2.713 4.519 1.00 0.00 H new ATOM 1169 N GLY A 74 -0.034 2.729 2.080 1.00 0.00 N ATOM 1170 CA GLY A 74 -1.447 2.575 1.777 1.00 0.00 C ATOM 1171 C GLY A 74 -1.648 2.042 0.357 1.00 0.00 C ATOM 1172 O GLY A 74 -2.078 0.904 0.172 1.00 0.00 O ATOM 0 H GLY A 74 0.248 3.677 2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.904 1.893 2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.952 3.535 1.884 1.00 0.00 H new ATOM 1176 N ALA A 75 -1.329 2.890 -0.610 1.00 0.00 N ATOM 1177 CA ALA A 75 -1.469 2.519 -2.007 1.00 0.00 C ATOM 1178 C ALA A 75 -0.887 1.120 -2.220 1.00 0.00 C ATOM 1179 O ALA A 75 -1.570 0.230 -2.726 1.00 0.00 O ATOM 1180 CB ALA A 75 -0.791 3.572 -2.886 1.00 0.00 C ATOM 0 H ALA A 75 -0.974 3.833 -0.453 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.521 2.485 -2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.896 3.293 -3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.260 4.542 -2.719 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.267 3.632 -2.631 1.00 0.00 H new ATOM 1186 N ILE A 76 0.368 0.970 -1.824 1.00 0.00 N ATOM 1187 CA ILE A 76 1.050 -0.306 -1.965 1.00 0.00 C ATOM 1188 C ILE A 76 0.104 -1.433 -1.546 1.00 0.00 C ATOM 1189 O ILE A 76 -0.353 -2.209 -2.384 1.00 0.00 O ATOM 1190 CB ILE A 76 2.372 -0.294 -1.196 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.385 0.640 -1.861 1.00 0.00 C ATOM 1192 CG2 ILE A 76 2.923 -1.712 -1.031 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.394 1.171 -0.840 1.00 0.00 C ATOM 0 H ILE A 76 0.931 1.711 -1.405 1.00 0.00 H new ATOM 0 HA ILE A 76 1.316 -0.484 -3.007 1.00 0.00 H new ATOM 0 HB ILE A 76 2.182 0.096 -0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.910 0.107 -2.654 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.863 1.474 -2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.863 -1.675 -0.481 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.204 -2.320 -0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.094 -2.152 -2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.103 1.832 -1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.868 1.724 -0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.931 0.336 -0.391 1.00 0.00 H new ATOM 1205 N MET A 77 -0.161 -1.489 -0.249 1.00 0.00 N ATOM 1206 CA MET A 77 -1.043 -2.509 0.292 1.00 0.00 C ATOM 1207 C MET A 77 -2.388 -2.513 -0.439 1.00 0.00 C ATOM 1208 O MET A 77 -3.118 -3.502 -0.396 1.00 0.00 O ATOM 1209 CB MET A 77 -1.273 -2.248 1.782 1.00 0.00 C ATOM 1210 CG MET A 77 -0.210 -2.949 2.631 1.00 0.00 C ATOM 1211 SD MET A 77 -0.847 -4.497 3.249 1.00 0.00 S ATOM 1212 CE MET A 77 0.639 -5.182 3.961 1.00 0.00 C ATOM 0 H MET A 77 0.220 -0.844 0.443 1.00 0.00 H new ATOM 0 HA MET A 77 -0.571 -3.482 0.153 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.249 -1.176 1.975 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.264 -2.601 2.068 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.685 -3.127 2.035 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.083 -2.309 3.463 1.00 0.00 H new ATOM 0 HE1 MET A 77 0.418 -6.157 4.395 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.396 -5.293 3.185 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.011 -4.515 4.738 1.00 0.00 H new ATOM 1222 N LEU A 78 -2.674 -1.397 -1.093 1.00 0.00 N ATOM 1223 CA LEU A 78 -3.917 -1.260 -1.832 1.00 0.00 C ATOM 1224 C LEU A 78 -3.907 -2.222 -3.022 1.00 0.00 C ATOM 1225 O LEU A 78 -4.708 -3.154 -3.078 1.00 0.00 O ATOM 1226 CB LEU A 78 -4.150 0.200 -2.224 1.00 0.00 C ATOM 1227 CG LEU A 78 -5.595 0.696 -2.137 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -5.643 2.184 -1.784 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -6.358 0.388 -3.426 1.00 0.00 C ATOM 0 H LEU A 78 -2.066 -0.579 -1.126 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.765 -1.536 -1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.532 0.830 -1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.799 0.341 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.094 0.158 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.681 2.511 -1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.160 2.345 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.122 2.757 -2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.382 0.751 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.869 0.882 -4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.368 -0.689 -3.595 1.00 0.00 H new ATOM 1241 N GLY A 79 -2.991 -1.963 -3.943 1.00 0.00 N ATOM 1242 CA GLY A 79 -2.867 -2.794 -5.129 1.00 0.00 C ATOM 1243 C GLY A 79 -2.599 -4.252 -4.750 1.00 0.00 C ATOM 1244 O GLY A 79 -3.119 -5.168 -5.386 1.00 0.00 O ATOM 0 H GLY A 79 -2.328 -1.190 -3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.781 -2.730 -5.720 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.056 -2.422 -5.755 1.00 0.00 H new ATOM 1248 N ALA A 80 -1.787 -4.422 -3.716 1.00 0.00 N ATOM 1249 CA ALA A 80 -1.444 -5.753 -3.246 1.00 0.00 C ATOM 1250 C ALA A 80 -2.720 -6.486 -2.826 1.00 0.00 C ATOM 1251 O ALA A 80 -3.140 -7.436 -3.485 1.00 0.00 O ATOM 1252 CB ALA A 80 -0.431 -5.646 -2.104 1.00 0.00 C ATOM 0 H ALA A 80 -1.357 -3.660 -3.191 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.978 -6.333 -4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.174 -6.645 -1.751 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.468 -5.144 -2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.865 -5.073 -1.285 1.00 0.00 H new ATOM 1258 N VAL A 81 -3.302 -6.016 -1.732 1.00 0.00 N ATOM 1259 CA VAL A 81 -4.521 -6.615 -1.217 1.00 0.00 C ATOM 1260 C VAL A 81 -5.533 -6.762 -2.355 1.00 0.00 C ATOM 1261 O VAL A 81 -5.990 -7.866 -2.646 1.00 0.00 O ATOM 1262 CB VAL A 81 -5.055 -5.788 -0.045 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -6.518 -6.131 0.245 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -4.189 -5.980 1.201 1.00 0.00 C ATOM 0 H VAL A 81 -2.952 -5.227 -1.188 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.321 -7.614 -0.829 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.007 -4.736 -0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.874 -5.530 1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.123 -5.919 -0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.601 -7.188 0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.590 -5.381 2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.190 -7.032 1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.168 -5.664 0.987 1.00 0.00 H new ATOM 1274 N TYR A 82 -5.852 -5.632 -2.970 1.00 0.00 N ATOM 1275 CA TYR A 82 -6.801 -5.621 -4.070 1.00 0.00 C ATOM 1276 C TYR A 82 -6.634 -6.861 -4.950 1.00 0.00 C ATOM 1277 O TYR A 82 -7.534 -7.696 -5.029 1.00 0.00 O ATOM 1278 CB TYR A 82 -6.474 -4.376 -4.897 1.00 0.00 C ATOM 1279 CG TYR A 82 -7.391 -4.172 -6.104 1.00 0.00 C ATOM 1280 CD1 TYR A 82 -7.180 -4.896 -7.261 1.00 0.00 C ATOM 1281 CD2 TYR A 82 -8.428 -3.264 -6.037 1.00 0.00 C ATOM 1282 CE1 TYR A 82 -8.044 -4.704 -8.397 1.00 0.00 C ATOM 1283 CE2 TYR A 82 -9.291 -3.073 -7.174 1.00 0.00 C ATOM 1284 CZ TYR A 82 -9.056 -3.802 -8.298 1.00 0.00 C ATOM 1285 OH TYR A 82 -9.872 -3.620 -9.371 1.00 0.00 O ATOM 0 H TYR A 82 -5.470 -4.718 -2.727 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.824 -5.616 -3.694 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.537 -3.498 -4.254 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.443 -4.444 -5.244 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.368 -5.606 -7.314 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.592 -2.697 -5.133 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.891 -5.264 -9.308 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.107 -2.366 -7.135 1.00 0.00 H new ATOM 0 HH TYR A 82 -10.550 -2.946 -9.156 1.00 0.00 H new ATOM 1295 N THR A 83 -5.477 -6.943 -5.590 1.00 0.00 N ATOM 1296 CA THR A 83 -5.181 -8.067 -6.461 1.00 0.00 C ATOM 1297 C THR A 83 -5.368 -9.387 -5.711 1.00 0.00 C ATOM 1298 O THR A 83 -6.030 -10.298 -6.205 1.00 0.00 O ATOM 1299 CB THR A 83 -3.766 -7.878 -7.013 1.00 0.00 C ATOM 1300 OG1 THR A 83 -2.949 -7.784 -5.850 1.00 0.00 O ATOM 1301 CG2 THR A 83 -3.585 -6.526 -7.707 1.00 0.00 C ATOM 0 H THR A 83 -4.733 -6.249 -5.522 1.00 0.00 H new ATOM 0 HA THR A 83 -5.872 -8.107 -7.303 1.00 0.00 H new ATOM 0 HB THR A 83 -3.540 -8.680 -7.716 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.123 -6.933 -5.396 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.564 -6.442 -8.080 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.284 -6.448 -8.540 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.778 -5.723 -6.996 1.00 0.00 H new ATOM 1309 N MET A 84 -4.772 -9.449 -4.529 1.00 0.00 N ATOM 1310 CA MET A 84 -4.865 -10.642 -3.705 1.00 0.00 C ATOM 1311 C MET A 84 -6.317 -11.106 -3.574 1.00 0.00 C ATOM 1312 O MET A 84 -6.694 -12.140 -4.124 1.00 0.00 O ATOM 1313 CB MET A 84 -4.295 -10.350 -2.316 1.00 0.00 C ATOM 1314 CG MET A 84 -3.307 -11.437 -1.888 1.00 0.00 C ATOM 1315 SD MET A 84 -1.634 -10.898 -2.199 1.00 0.00 S ATOM 1316 CE MET A 84 -0.826 -12.480 -2.375 1.00 0.00 C ATOM 0 H MET A 84 -4.223 -8.692 -4.122 1.00 0.00 H new ATOM 0 HA MET A 84 -4.291 -11.436 -4.183 1.00 0.00 H new ATOM 0 HB2 MET A 84 -3.796 -9.381 -2.321 1.00 0.00 H new ATOM 0 HB3 MET A 84 -5.107 -10.287 -1.592 1.00 0.00 H new ATOM 0 HG2 MET A 84 -3.435 -11.660 -0.829 1.00 0.00 H new ATOM 0 HG3 MET A 84 -3.508 -12.359 -2.434 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.235 -12.327 -2.575 1.00 0.00 H new ATOM 0 HE2 MET A 84 -0.943 -13.053 -1.455 1.00 0.00 H new ATOM 0 HE3 MET A 84 -1.276 -13.028 -3.203 1.00 0.00 H new ATOM 1326 N TYR A 85 -7.093 -10.319 -2.843 1.00 0.00 N ATOM 1327 CA TYR A 85 -8.495 -10.637 -2.632 1.00 0.00 C ATOM 1328 C TYR A 85 -9.214 -10.852 -3.965 1.00 0.00 C ATOM 1329 O TYR A 85 -9.759 -11.927 -4.214 1.00 0.00 O ATOM 1330 CB TYR A 85 -9.102 -9.420 -1.930 1.00 0.00 C ATOM 1331 CG TYR A 85 -10.271 -9.757 -1.002 1.00 0.00 C ATOM 1332 CD1 TYR A 85 -10.054 -10.503 0.139 1.00 0.00 C ATOM 1333 CD2 TYR A 85 -11.542 -9.314 -1.305 1.00 0.00 C ATOM 1334 CE1 TYR A 85 -11.154 -10.819 1.012 1.00 0.00 C ATOM 1335 CE2 TYR A 85 -12.642 -9.631 -0.432 1.00 0.00 C ATOM 1336 CZ TYR A 85 -12.394 -10.368 0.684 1.00 0.00 C ATOM 1337 OH TYR A 85 -13.433 -10.667 1.508 1.00 0.00 O ATOM 0 H TYR A 85 -6.777 -9.462 -2.389 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.598 -11.552 -2.048 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.324 -8.921 -1.352 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.443 -8.711 -2.684 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.059 -10.850 0.377 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -11.712 -8.729 -2.197 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -10.998 -11.402 1.908 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -13.642 -9.291 -0.658 1.00 0.00 H new ATOM 0 HH TYR A 85 -14.258 -10.279 1.149 1.00 0.00 H new ATOM 1347 N SER A 86 -9.194 -9.813 -4.787 1.00 0.00 N ATOM 1348 CA SER A 86 -9.837 -9.875 -6.088 1.00 0.00 C ATOM 1349 C SER A 86 -9.614 -11.252 -6.717 1.00 0.00 C ATOM 1350 O SER A 86 -10.562 -12.011 -6.912 1.00 0.00 O ATOM 1351 CB SER A 86 -9.312 -8.777 -7.015 1.00 0.00 C ATOM 1352 OG SER A 86 -9.677 -7.476 -6.562 1.00 0.00 O ATOM 0 H SER A 86 -8.742 -8.923 -4.577 1.00 0.00 H new ATOM 0 HA SER A 86 -10.906 -9.715 -5.949 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.226 -8.847 -7.081 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.703 -8.934 -8.020 1.00 0.00 H new ATOM 0 HG SER A 86 -9.033 -7.171 -5.889 1.00 0.00 H new ATOM 1358 N ASP A 87 -8.354 -11.532 -7.019 1.00 0.00 N ATOM 1359 CA ASP A 87 -7.994 -12.804 -7.622 1.00 0.00 C ATOM 1360 C ASP A 87 -8.606 -13.943 -6.803 1.00 0.00 C ATOM 1361 O ASP A 87 -9.253 -14.831 -7.356 1.00 0.00 O ATOM 1362 CB ASP A 87 -6.477 -12.996 -7.638 1.00 0.00 C ATOM 1363 CG ASP A 87 -6.009 -14.429 -7.902 1.00 0.00 C ATOM 1364 OD1 ASP A 87 -6.631 -15.039 -8.854 1.00 0.00 O ATOM 1365 OD2 ASP A 87 -5.097 -14.936 -7.233 1.00 0.00 O ATOM 0 H ASP A 87 -7.570 -10.900 -6.857 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.369 -12.810 -8.645 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.051 -12.344 -8.401 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.074 -12.669 -6.679 1.00 0.00 H new ATOM 1370 N TYR A 88 -8.380 -13.879 -5.499 1.00 0.00 N ATOM 1371 CA TYR A 88 -8.901 -14.894 -4.599 1.00 0.00 C ATOM 1372 C TYR A 88 -10.295 -15.351 -5.036 1.00 0.00 C ATOM 1373 O TYR A 88 -10.656 -16.513 -4.857 1.00 0.00 O ATOM 1374 CB TYR A 88 -9.003 -14.228 -3.226 1.00 0.00 C ATOM 1375 CG TYR A 88 -8.720 -15.171 -2.055 1.00 0.00 C ATOM 1376 CD1 TYR A 88 -9.725 -15.976 -1.559 1.00 0.00 C ATOM 1377 CD2 TYR A 88 -7.460 -15.216 -1.494 1.00 0.00 C ATOM 1378 CE1 TYR A 88 -9.459 -16.863 -0.456 1.00 0.00 C ATOM 1379 CE2 TYR A 88 -7.194 -16.103 -0.391 1.00 0.00 C ATOM 1380 CZ TYR A 88 -8.207 -16.883 0.073 1.00 0.00 C ATOM 1381 OH TYR A 88 -7.956 -17.721 1.115 1.00 0.00 O ATOM 0 H TYR A 88 -7.843 -13.140 -5.044 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.252 -15.770 -4.592 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.302 -13.394 -3.185 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.003 -13.810 -3.109 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.711 -15.941 -1.998 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.673 -14.586 -1.882 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -10.237 -17.498 -0.058 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -6.213 -16.148 0.057 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.020 -17.630 1.390 1.00 0.00 H new ATOM 1391 N VAL A 89 -11.041 -14.412 -5.600 1.00 0.00 N ATOM 1392 CA VAL A 89 -12.386 -14.703 -6.064 1.00 0.00 C ATOM 1393 C VAL A 89 -12.374 -16.004 -6.869 1.00 0.00 C ATOM 1394 O VAL A 89 -11.528 -16.189 -7.742 1.00 0.00 O ATOM 1395 CB VAL A 89 -12.936 -13.515 -6.856 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -14.259 -13.874 -7.536 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -13.096 -12.286 -5.959 1.00 0.00 C ATOM 0 H VAL A 89 -10.739 -13.449 -5.746 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.057 -14.851 -5.218 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.215 -13.269 -7.636 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -14.628 -13.012 -8.092 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -14.102 -14.707 -8.221 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -14.991 -14.159 -6.780 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.488 -11.456 -6.546 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.787 -12.515 -5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -12.127 -12.010 -5.543 1.00 0.00 H new