USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 439 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 23 ASN : amide:sc= -3.94! C(o=-3.9!,f=-1.5!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -158:sc= -0.0394 (180deg=-0.272) USER MOD Single : A 31 LYS NZ :NH3+ -142:sc= 0.033 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -70:sc= -1.27 USER MOD Single : A 37 THR OG1 : rot 41:sc= 0.916 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl 177:sc= 0 (180deg=-0.0258) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00212) USER MOD Single : A 45 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.17) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -138:sc= 0.0448 (180deg=-2.06!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 173:sc= -2.59 (180deg=-2.82) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 143:sc= -0.28 (180deg=-3.7!) USER MOD Single : A 67 TYR OH : rot -46:sc= 1.06 USER MOD Single : A 68 THR OG1 : rot 177:sc= -0.808 USER MOD Single : A 72 LYS NZ :NH3+ -158:sc= -1.55 (180deg=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 287 N ASN A 23 -1.326 -3.791 7.905 1.00 0.00 N ATOM 288 CA ASN A 23 -2.471 -3.154 8.547 1.00 0.00 C ATOM 289 C ASN A 23 -3.132 -2.149 7.608 1.00 0.00 C ATOM 290 O ASN A 23 -2.694 -1.964 6.473 1.00 0.00 O ATOM 291 CB ASN A 23 -2.034 -2.454 9.835 1.00 0.00 C ATOM 292 CG ASN A 23 -0.730 -1.699 9.670 1.00 0.00 C ATOM 293 OD1 ASN A 23 0.352 -2.277 9.772 1.00 0.00 O ATOM 294 ND2 ASN A 23 -0.827 -0.400 9.414 1.00 0.00 N ATOM 0 HA ASN A 23 -3.198 -3.929 8.790 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.814 -1.761 10.151 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.924 -3.194 10.628 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.017 0.160 9.293 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.745 0.038 9.338 1.00 0.00 H new ATOM 301 N ALA A 24 -4.188 -1.503 8.091 1.00 0.00 N ATOM 302 CA ALA A 24 -4.908 -0.515 7.296 1.00 0.00 C ATOM 303 C ALA A 24 -3.999 0.648 6.912 1.00 0.00 C ATOM 304 O ALA A 24 -3.847 0.966 5.733 1.00 0.00 O ATOM 305 CB ALA A 24 -6.123 -0.009 8.059 1.00 0.00 C ATOM 0 H ALA A 24 -4.564 -1.646 9.028 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.244 -0.997 6.378 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.651 0.728 7.454 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.789 -0.844 8.278 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.800 0.452 8.993 1.00 0.00 H new ATOM 311 N PHE A 25 -3.399 1.280 7.915 1.00 0.00 N ATOM 312 CA PHE A 25 -2.507 2.410 7.682 1.00 0.00 C ATOM 313 C PHE A 25 -1.438 2.056 6.652 1.00 0.00 C ATOM 314 O PHE A 25 -1.164 2.830 5.736 1.00 0.00 O ATOM 315 CB PHE A 25 -1.845 2.843 8.992 1.00 0.00 C ATOM 316 CG PHE A 25 -0.751 3.854 8.805 1.00 0.00 C ATOM 317 CD1 PHE A 25 -1.047 5.153 8.425 1.00 0.00 C ATOM 318 CD2 PHE A 25 0.575 3.506 9.010 1.00 0.00 C ATOM 319 CE1 PHE A 25 -0.041 6.085 8.251 1.00 0.00 C ATOM 320 CE2 PHE A 25 1.585 4.434 8.838 1.00 0.00 C ATOM 321 CZ PHE A 25 1.276 5.725 8.459 1.00 0.00 C ATOM 0 H PHE A 25 -3.514 1.029 8.897 1.00 0.00 H new ATOM 0 HA PHE A 25 -3.102 3.236 7.293 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.605 3.260 9.653 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.436 1.964 9.491 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.075 5.441 8.263 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.822 2.498 9.308 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.285 7.094 7.953 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.614 4.150 9.000 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.063 6.452 8.325 1.00 0.00 H new ATOM 331 N MET A 26 -0.838 0.881 6.811 1.00 0.00 N ATOM 332 CA MET A 26 0.200 0.423 5.895 1.00 0.00 C ATOM 333 C MET A 26 -0.274 0.513 4.448 1.00 0.00 C ATOM 334 O MET A 26 0.435 1.031 3.583 1.00 0.00 O ATOM 335 CB MET A 26 0.602 -1.016 6.224 1.00 0.00 C ATOM 336 CG MET A 26 1.779 -1.115 7.181 1.00 0.00 C ATOM 337 SD MET A 26 3.343 -1.399 6.331 1.00 0.00 S ATOM 338 CE MET A 26 4.339 -2.059 7.666 1.00 0.00 C ATOM 0 H MET A 26 -1.053 0.229 7.565 1.00 0.00 H new ATOM 0 HA MET A 26 1.068 1.071 6.015 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.253 -1.533 6.659 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.852 -1.535 5.299 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.848 -0.196 7.763 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.601 -1.926 7.887 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.339 -2.285 7.296 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.406 -1.324 8.468 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.879 -2.970 8.047 1.00 0.00 H new ATOM 348 N LEU A 27 -1.475 0.006 4.191 1.00 0.00 N ATOM 349 CA LEU A 27 -2.043 0.029 2.847 1.00 0.00 C ATOM 350 C LEU A 27 -2.263 1.463 2.374 1.00 0.00 C ATOM 351 O LEU A 27 -2.270 1.737 1.173 1.00 0.00 O ATOM 352 CB LEU A 27 -3.366 -0.738 2.819 1.00 0.00 C ATOM 353 CG LEU A 27 -3.789 -1.296 1.459 1.00 0.00 C ATOM 354 CD1 LEU A 27 -2.829 -2.386 1.008 1.00 0.00 C ATOM 355 CD2 LEU A 27 -5.212 -1.829 1.521 1.00 0.00 C ATOM 0 H LEU A 27 -2.074 -0.426 4.895 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.336 -0.453 2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.298 -1.566 3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.154 -0.077 3.179 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.757 -0.487 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.145 -2.771 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.824 -1.973 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.829 -3.196 1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.496 -2.222 0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.270 -2.625 2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.891 -1.023 1.799 1.00 0.00 H new ATOM 367 N PHE A 28 -2.439 2.374 3.324 1.00 0.00 N ATOM 368 CA PHE A 28 -2.658 3.780 3.005 1.00 0.00 C ATOM 369 C PHE A 28 -1.337 4.479 2.696 1.00 0.00 C ATOM 370 O PHE A 28 -1.139 4.998 1.598 1.00 0.00 O ATOM 371 CB PHE A 28 -3.362 4.485 4.166 1.00 0.00 C ATOM 372 CG PHE A 28 -3.164 5.974 4.171 1.00 0.00 C ATOM 373 CD1 PHE A 28 -3.912 6.788 3.335 1.00 0.00 C ATOM 374 CD2 PHE A 28 -2.231 6.560 5.011 1.00 0.00 C ATOM 375 CE1 PHE A 28 -3.733 8.159 3.338 1.00 0.00 C ATOM 376 CE2 PHE A 28 -2.048 7.929 5.018 1.00 0.00 C ATOM 377 CZ PHE A 28 -2.799 8.730 4.180 1.00 0.00 C ATOM 0 H PHE A 28 -2.434 2.164 4.322 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.292 3.832 2.120 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.429 4.268 4.119 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.995 4.074 5.107 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.643 6.346 2.674 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.640 5.939 5.668 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.323 8.783 2.683 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.318 8.373 5.678 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.656 9.801 4.183 1.00 0.00 H new ATOM 387 N ALA A 29 -0.437 4.489 3.674 1.00 0.00 N ATOM 388 CA ALA A 29 0.865 5.123 3.507 1.00 0.00 C ATOM 389 C ALA A 29 1.612 4.536 2.314 1.00 0.00 C ATOM 390 O ALA A 29 2.409 5.219 1.670 1.00 0.00 O ATOM 391 CB ALA A 29 1.691 4.973 4.775 1.00 0.00 C ATOM 0 H ALA A 29 -0.586 4.065 4.590 1.00 0.00 H new ATOM 0 HA ALA A 29 0.704 6.184 3.315 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.661 5.451 4.636 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.169 5.446 5.607 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.836 3.915 4.992 1.00 0.00 H new ATOM 397 N LYS A 30 1.351 3.266 2.024 1.00 0.00 N ATOM 398 CA LYS A 30 1.998 2.586 0.908 1.00 0.00 C ATOM 399 C LYS A 30 1.430 3.066 -0.424 1.00 0.00 C ATOM 400 O LYS A 30 2.162 3.567 -1.278 1.00 0.00 O ATOM 401 CB LYS A 30 1.820 1.071 1.035 1.00 0.00 C ATOM 402 CG LYS A 30 2.588 0.280 -0.009 1.00 0.00 C ATOM 403 CD LYS A 30 1.720 -0.045 -1.213 1.00 0.00 C ATOM 404 CE LYS A 30 1.015 -1.383 -1.047 1.00 0.00 C ATOM 405 NZ LYS A 30 1.967 -2.525 -1.124 1.00 0.00 N ATOM 0 H LYS A 30 0.695 2.686 2.547 1.00 0.00 H new ATOM 0 HA LYS A 30 3.061 2.824 0.936 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.144 0.757 2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.760 0.830 0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.459 0.851 -0.331 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.958 -0.645 0.434 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.980 0.743 -1.352 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.336 -0.066 -2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.499 -1.405 -0.087 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.255 -1.491 -1.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.451 -3.391 -1.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.689 -2.327 -1.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.427 -2.656 -0.201 1.00 0.00 H new ATOM 419 N LYS A 31 0.121 2.911 -0.594 1.00 0.00 N ATOM 420 CA LYS A 31 -0.546 3.330 -1.821 1.00 0.00 C ATOM 421 C LYS A 31 -0.365 4.827 -2.054 1.00 0.00 C ATOM 422 O LYS A 31 -0.491 5.309 -3.180 1.00 0.00 O ATOM 423 CB LYS A 31 -2.036 2.990 -1.757 1.00 0.00 C ATOM 424 CG LYS A 31 -2.720 2.993 -3.113 1.00 0.00 C ATOM 425 CD LYS A 31 -4.164 2.533 -3.011 1.00 0.00 C ATOM 426 CE LYS A 31 -5.099 3.695 -2.710 1.00 0.00 C ATOM 427 NZ LYS A 31 -6.500 3.238 -2.494 1.00 0.00 N ATOM 0 H LYS A 31 -0.499 2.498 0.103 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.092 2.793 -2.654 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.156 2.007 -1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.536 3.707 -1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.686 3.997 -3.536 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.177 2.341 -3.797 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.462 2.057 -3.945 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.253 1.781 -2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.748 4.223 -1.823 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.072 4.406 -3.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.158 3.925 -2.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.636 2.310 -2.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.686 3.159 -1.474 1.00 0.00 H new ATOM 441 N TYR A 32 -0.067 5.556 -0.984 1.00 0.00 N ATOM 442 CA TYR A 32 0.130 6.998 -1.073 1.00 0.00 C ATOM 443 C TYR A 32 1.600 7.359 -0.882 1.00 0.00 C ATOM 444 O TYR A 32 1.951 8.532 -0.755 1.00 0.00 O ATOM 445 CB TYR A 32 -0.724 7.716 -0.027 1.00 0.00 C ATOM 446 CG TYR A 32 -2.160 7.918 -0.452 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.935 6.848 -0.884 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.743 9.179 -0.424 1.00 0.00 C ATOM 449 CE1 TYR A 32 -4.247 7.028 -1.275 1.00 0.00 C ATOM 450 CE2 TYR A 32 -4.055 9.368 -0.811 1.00 0.00 C ATOM 451 CZ TYR A 32 -4.803 8.290 -1.236 1.00 0.00 C ATOM 452 OH TYR A 32 -6.111 8.475 -1.624 1.00 0.00 O ATOM 0 H TYR A 32 0.043 5.172 -0.045 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.178 7.321 -2.067 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.706 7.143 0.900 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.278 8.687 0.189 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.503 5.858 -0.914 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.160 10.026 -0.094 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.835 6.186 -1.609 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.493 10.355 -0.781 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.348 9.422 -1.536 1.00 0.00 H new ATOM 462 N ARG A 33 2.455 6.342 -0.862 1.00 0.00 N ATOM 463 CA ARG A 33 3.887 6.551 -0.686 1.00 0.00 C ATOM 464 C ARG A 33 4.492 7.231 -1.911 1.00 0.00 C ATOM 465 O ARG A 33 5.267 8.179 -1.788 1.00 0.00 O ATOM 466 CB ARG A 33 4.591 5.217 -0.430 1.00 0.00 C ATOM 467 CG ARG A 33 5.836 5.341 0.433 1.00 0.00 C ATOM 468 CD ARG A 33 6.078 4.079 1.246 1.00 0.00 C ATOM 469 NE ARG A 33 4.958 3.777 2.134 1.00 0.00 N ATOM 470 CZ ARG A 33 4.857 2.652 2.833 1.00 0.00 C ATOM 471 NH1 ARG A 33 5.804 1.728 2.749 1.00 0.00 N ATOM 472 NH2 ARG A 33 3.808 2.450 3.620 1.00 0.00 N ATOM 0 H ARG A 33 2.181 5.365 -0.966 1.00 0.00 H new ATOM 0 HA ARG A 33 4.030 7.201 0.177 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.892 4.534 0.052 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.865 4.771 -1.386 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.701 5.539 -0.200 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.731 6.193 1.104 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.242 3.239 0.571 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.987 4.197 1.836 1.00 0.00 H new ATOM 0 HE ARG A 33 4.213 4.468 2.222 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.613 1.880 2.146 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.724 0.865 3.287 1.00 0.00 H new ATOM 0 HH21 ARG A 33 3.078 3.159 3.689 1.00 0.00 H new ATOM 0 HH22 ARG A 33 3.732 1.586 4.156 1.00 0.00 H new ATOM 486 N VAL A 34 4.133 6.739 -3.092 1.00 0.00 N ATOM 487 CA VAL A 34 4.639 7.299 -4.339 1.00 0.00 C ATOM 488 C VAL A 34 4.017 8.661 -4.623 1.00 0.00 C ATOM 489 O VAL A 34 4.640 9.522 -5.243 1.00 0.00 O ATOM 490 CB VAL A 34 4.361 6.361 -5.529 1.00 0.00 C ATOM 491 CG1 VAL A 34 2.866 6.263 -5.793 1.00 0.00 C ATOM 492 CG2 VAL A 34 5.099 6.842 -6.770 1.00 0.00 C ATOM 0 H VAL A 34 3.493 5.953 -3.211 1.00 0.00 H new ATOM 0 HA VAL A 34 5.716 7.413 -4.220 1.00 0.00 H new ATOM 0 HB VAL A 34 4.728 5.366 -5.279 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.688 5.596 -6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.365 5.870 -4.908 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.472 7.253 -6.023 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.891 6.168 -7.601 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.764 7.847 -7.026 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.171 6.856 -6.573 1.00 0.00 H new ATOM 502 N GLU A 35 2.783 8.849 -4.165 1.00 0.00 N ATOM 503 CA GLU A 35 2.076 10.108 -4.370 1.00 0.00 C ATOM 504 C GLU A 35 2.926 11.290 -3.913 1.00 0.00 C ATOM 505 O GLU A 35 2.918 12.352 -4.536 1.00 0.00 O ATOM 506 CB GLU A 35 0.745 10.100 -3.615 1.00 0.00 C ATOM 507 CG GLU A 35 -0.253 9.087 -4.151 1.00 0.00 C ATOM 508 CD GLU A 35 -0.393 9.149 -5.660 1.00 0.00 C ATOM 509 OE1 GLU A 35 -0.381 10.269 -6.212 1.00 0.00 O ATOM 510 OE2 GLU A 35 -0.516 8.077 -6.288 1.00 0.00 O ATOM 0 H GLU A 35 2.253 8.146 -3.650 1.00 0.00 H new ATOM 0 HA GLU A 35 1.879 10.215 -5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.935 9.888 -2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.303 11.095 -3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.060 8.084 -3.860 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.226 9.263 -3.692 1.00 0.00 H new ATOM 517 N TYR A 36 3.657 11.098 -2.821 1.00 0.00 N ATOM 518 CA TYR A 36 4.510 12.148 -2.277 1.00 0.00 C ATOM 519 C TYR A 36 5.940 12.006 -2.787 1.00 0.00 C ATOM 520 O TYR A 36 6.714 12.964 -2.777 1.00 0.00 O ATOM 521 CB TYR A 36 4.495 12.106 -0.748 1.00 0.00 C ATOM 522 CG TYR A 36 3.200 12.598 -0.141 1.00 0.00 C ATOM 523 CD1 TYR A 36 2.068 11.794 -0.125 1.00 0.00 C ATOM 524 CD2 TYR A 36 3.111 13.868 0.416 1.00 0.00 C ATOM 525 CE1 TYR A 36 0.883 12.240 0.428 1.00 0.00 C ATOM 526 CE2 TYR A 36 1.930 14.322 0.973 1.00 0.00 C ATOM 527 CZ TYR A 36 0.819 13.504 0.976 1.00 0.00 C ATOM 528 OH TYR A 36 -0.359 13.952 1.528 1.00 0.00 O ATOM 0 H TYR A 36 3.676 10.224 -2.295 1.00 0.00 H new ATOM 0 HA TYR A 36 4.118 13.109 -2.611 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.675 11.082 -0.419 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.318 12.712 -0.368 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.115 10.803 -0.552 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.979 14.511 0.414 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.011 11.602 0.431 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.877 15.311 1.403 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.016 14.106 0.817 1.00 0.00 H new ATOM 538 N THR A 37 6.286 10.803 -3.235 1.00 0.00 N ATOM 539 CA THR A 37 7.623 10.534 -3.749 1.00 0.00 C ATOM 540 C THR A 37 7.919 11.381 -4.980 1.00 0.00 C ATOM 541 O THR A 37 9.072 11.722 -5.247 1.00 0.00 O ATOM 542 CB THR A 37 7.796 9.046 -4.110 1.00 0.00 C ATOM 543 OG1 THR A 37 7.588 8.233 -2.950 1.00 0.00 O ATOM 544 CG2 THR A 37 9.184 8.785 -4.676 1.00 0.00 C ATOM 0 H THR A 37 5.658 9.999 -3.252 1.00 0.00 H new ATOM 0 HA THR A 37 8.325 10.793 -2.956 1.00 0.00 H new ATOM 0 HB THR A 37 7.057 8.791 -4.869 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.833 8.585 -2.435 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.283 7.728 -4.924 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.329 9.384 -5.575 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.936 9.056 -3.935 1.00 0.00 H new ATOM 552 N GLN A 38 6.873 11.720 -5.726 1.00 0.00 N ATOM 553 CA GLN A 38 7.023 12.529 -6.930 1.00 0.00 C ATOM 554 C GLN A 38 6.576 13.965 -6.680 1.00 0.00 C ATOM 555 O GLN A 38 7.067 14.897 -7.316 1.00 0.00 O ATOM 556 CB GLN A 38 6.216 11.924 -8.080 1.00 0.00 C ATOM 557 CG GLN A 38 6.368 10.417 -8.204 1.00 0.00 C ATOM 558 CD GLN A 38 5.491 9.828 -9.291 1.00 0.00 C ATOM 559 OE1 GLN A 38 5.980 9.408 -10.340 1.00 0.00 O ATOM 560 NE2 GLN A 38 4.186 9.796 -9.046 1.00 0.00 N ATOM 0 H GLN A 38 5.912 11.447 -5.518 1.00 0.00 H new ATOM 0 HA GLN A 38 8.079 12.539 -7.202 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.162 12.164 -7.939 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.526 12.390 -9.015 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.410 10.177 -8.414 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.120 9.951 -7.250 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.824 10.155 -8.163 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.546 9.412 -9.741 1.00 0.00 H new ATOM 569 N MET A 39 5.643 14.136 -5.749 1.00 0.00 N ATOM 570 CA MET A 39 5.131 15.460 -5.415 1.00 0.00 C ATOM 571 C MET A 39 6.129 16.227 -4.554 1.00 0.00 C ATOM 572 O MET A 39 6.146 17.458 -4.554 1.00 0.00 O ATOM 573 CB MET A 39 3.793 15.342 -4.683 1.00 0.00 C ATOM 574 CG MET A 39 2.594 15.281 -5.615 1.00 0.00 C ATOM 575 SD MET A 39 1.065 15.806 -4.816 1.00 0.00 S ATOM 576 CE MET A 39 0.806 14.461 -3.663 1.00 0.00 C ATOM 0 H MET A 39 5.226 13.375 -5.213 1.00 0.00 H new ATOM 0 HA MET A 39 4.982 16.010 -6.344 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.806 14.447 -4.062 1.00 0.00 H new ATOM 0 HB3 MET A 39 3.679 16.194 -4.012 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.781 15.913 -6.483 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.476 14.262 -5.982 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.076 14.667 -3.056 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.658 13.532 -4.214 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.678 14.364 -3.016 1.00 0.00 H new ATOM 586 N TYR A 40 6.959 15.492 -3.821 1.00 0.00 N ATOM 587 CA TYR A 40 7.958 16.105 -2.953 1.00 0.00 C ATOM 588 C TYR A 40 9.321 15.446 -3.143 1.00 0.00 C ATOM 589 O TYR A 40 9.826 14.742 -2.269 1.00 0.00 O ATOM 590 CB TYR A 40 7.527 15.998 -1.490 1.00 0.00 C ATOM 591 CG TYR A 40 6.201 16.664 -1.198 1.00 0.00 C ATOM 592 CD1 TYR A 40 5.003 16.054 -1.550 1.00 0.00 C ATOM 593 CD2 TYR A 40 6.147 17.904 -0.573 1.00 0.00 C ATOM 594 CE1 TYR A 40 3.789 16.660 -1.286 1.00 0.00 C ATOM 595 CE2 TYR A 40 4.938 18.516 -0.305 1.00 0.00 C ATOM 596 CZ TYR A 40 3.762 17.890 -0.663 1.00 0.00 C ATOM 597 OH TYR A 40 2.556 18.497 -0.399 1.00 0.00 O ATOM 0 H TYR A 40 6.960 14.472 -3.811 1.00 0.00 H new ATOM 0 HA TYR A 40 8.042 17.157 -3.224 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.463 14.945 -1.215 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.295 16.446 -0.860 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.021 15.091 -2.038 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.066 18.397 -0.292 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.867 16.173 -1.566 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.914 19.480 0.182 1.00 0.00 H new ATOM 0 HH TYR A 40 2.713 19.357 0.044 1.00 0.00 H new ATOM 607 N PRO A 41 9.932 15.680 -4.314 1.00 0.00 N ATOM 608 CA PRO A 41 11.245 15.121 -4.647 1.00 0.00 C ATOM 609 C PRO A 41 12.367 15.746 -3.825 1.00 0.00 C ATOM 610 O PRO A 41 13.470 15.206 -3.751 1.00 0.00 O ATOM 611 CB PRO A 41 11.412 15.466 -6.129 1.00 0.00 C ATOM 612 CG PRO A 41 10.555 16.667 -6.337 1.00 0.00 C ATOM 613 CD PRO A 41 9.388 16.510 -5.402 1.00 0.00 C ATOM 0 HA PRO A 41 11.299 14.053 -4.435 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.454 15.676 -6.372 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.097 14.640 -6.766 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.107 17.582 -6.122 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.220 16.733 -7.372 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.035 17.474 -5.034 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.543 16.027 -5.892 1.00 0.00 H new ATOM 621 N GLY A 42 12.078 16.887 -3.208 1.00 0.00 N ATOM 622 CA GLY A 42 13.073 17.566 -2.398 1.00 0.00 C ATOM 623 C GLY A 42 13.171 16.993 -0.999 1.00 0.00 C ATOM 624 O GLY A 42 14.174 17.182 -0.311 1.00 0.00 O ATOM 0 H GLY A 42 11.172 17.354 -3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.045 17.493 -2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.825 18.626 -2.337 1.00 0.00 H new ATOM 628 N LYS A 43 12.126 16.291 -0.574 1.00 0.00 N ATOM 629 CA LYS A 43 12.097 15.688 0.753 1.00 0.00 C ATOM 630 C LYS A 43 12.675 14.277 0.723 1.00 0.00 C ATOM 631 O LYS A 43 12.695 13.627 -0.322 1.00 0.00 O ATOM 632 CB LYS A 43 10.663 15.652 1.288 1.00 0.00 C ATOM 633 CG LYS A 43 10.048 17.028 1.476 1.00 0.00 C ATOM 634 CD LYS A 43 8.740 16.954 2.245 1.00 0.00 C ATOM 635 CE LYS A 43 8.104 18.328 2.395 1.00 0.00 C ATOM 636 NZ LYS A 43 8.839 19.175 3.375 1.00 0.00 N ATOM 0 H LYS A 43 11.287 16.126 -1.130 1.00 0.00 H new ATOM 0 HA LYS A 43 12.711 16.299 1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.042 15.077 0.601 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.654 15.126 2.243 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.749 17.671 2.009 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.873 17.485 0.502 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.050 16.287 1.728 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.920 16.525 3.231 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.085 18.827 1.426 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.069 18.216 2.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.365 20.097 3.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.851 18.703 4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.816 19.318 3.047 1.00 0.00 H new ATOM 650 N ASP A 44 13.144 13.810 1.875 1.00 0.00 N ATOM 651 CA ASP A 44 13.720 12.475 1.980 1.00 0.00 C ATOM 652 C ASP A 44 12.632 11.429 2.202 1.00 0.00 C ATOM 653 O ASP A 44 11.565 11.732 2.734 1.00 0.00 O ATOM 654 CB ASP A 44 14.735 12.423 3.124 1.00 0.00 C ATOM 655 CG ASP A 44 15.880 13.397 2.926 1.00 0.00 C ATOM 656 OD1 ASP A 44 16.051 13.890 1.792 1.00 0.00 O ATOM 657 OD2 ASP A 44 16.605 13.666 3.907 1.00 0.00 O ATOM 0 H ASP A 44 13.136 14.336 2.749 1.00 0.00 H new ATOM 0 HA ASP A 44 14.228 12.251 1.042 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.230 12.646 4.064 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.132 11.412 3.208 1.00 0.00 H new ATOM 662 N ASN A 45 12.910 10.196 1.788 1.00 0.00 N ATOM 663 CA ASN A 45 11.954 9.106 1.940 1.00 0.00 C ATOM 664 C ASN A 45 11.475 8.999 3.384 1.00 0.00 C ATOM 665 O ASN A 45 10.323 8.651 3.643 1.00 0.00 O ATOM 666 CB ASN A 45 12.584 7.783 1.500 1.00 0.00 C ATOM 667 CG ASN A 45 13.340 7.908 0.191 1.00 0.00 C ATOM 668 OD1 ASN A 45 14.521 7.572 0.109 1.00 0.00 O ATOM 669 ND2 ASN A 45 12.659 8.395 -0.840 1.00 0.00 N ATOM 0 H ASN A 45 13.789 9.928 1.345 1.00 0.00 H new ATOM 0 HA ASN A 45 11.093 9.320 1.306 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.264 7.432 2.276 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.803 7.030 1.395 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.114 8.503 -1.746 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.681 8.661 -0.725 1.00 0.00 H new ATOM 676 N ARG A 46 12.368 9.301 4.322 1.00 0.00 N ATOM 677 CA ARG A 46 12.037 9.238 5.740 1.00 0.00 C ATOM 678 C ARG A 46 10.985 10.283 6.100 1.00 0.00 C ATOM 679 O ARG A 46 10.142 10.057 6.967 1.00 0.00 O ATOM 680 CB ARG A 46 13.292 9.450 6.588 1.00 0.00 C ATOM 681 CG ARG A 46 13.016 9.507 8.082 1.00 0.00 C ATOM 682 CD ARG A 46 14.299 9.680 8.880 1.00 0.00 C ATOM 683 NE ARG A 46 14.862 11.018 8.727 1.00 0.00 N ATOM 684 CZ ARG A 46 15.819 11.506 9.509 1.00 0.00 C ATOM 685 NH1 ARG A 46 16.316 10.769 10.493 1.00 0.00 N ATOM 686 NH2 ARG A 46 16.280 12.734 9.308 1.00 0.00 N ATOM 0 H ARG A 46 13.326 9.592 4.125 1.00 0.00 H new ATOM 0 HA ARG A 46 11.628 8.249 5.948 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.996 8.642 6.388 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.775 10.377 6.281 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.339 10.334 8.297 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.512 8.593 8.395 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.099 9.489 9.934 1.00 0.00 H new ATOM 0 HD3 ARG A 46 15.030 8.940 8.556 1.00 0.00 H new ATOM 0 HE ARG A 46 14.501 11.611 7.979 1.00 0.00 H new ATOM 0 HH11 ARG A 46 15.964 9.825 10.651 1.00 0.00 H new ATOM 0 HH12 ARG A 46 17.051 11.146 11.092 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.900 13.304 8.553 1.00 0.00 H new ATOM 0 HH22 ARG A 46 17.015 13.108 9.909 1.00 0.00 H new ATOM 700 N ALA A 47 11.042 11.428 5.427 1.00 0.00 N ATOM 701 CA ALA A 47 10.094 12.508 5.674 1.00 0.00 C ATOM 702 C ALA A 47 8.729 12.187 5.076 1.00 0.00 C ATOM 703 O ALA A 47 7.694 12.501 5.665 1.00 0.00 O ATOM 704 CB ALA A 47 10.626 13.817 5.110 1.00 0.00 C ATOM 0 H ALA A 47 11.735 11.632 4.707 1.00 0.00 H new ATOM 0 HA ALA A 47 9.973 12.613 6.752 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.908 14.614 5.302 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.575 14.060 5.588 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.777 13.715 4.035 1.00 0.00 H new ATOM 710 N ILE A 48 8.734 11.562 3.904 1.00 0.00 N ATOM 711 CA ILE A 48 7.495 11.198 3.227 1.00 0.00 C ATOM 712 C ILE A 48 6.561 10.437 4.162 1.00 0.00 C ATOM 713 O ILE A 48 5.393 10.796 4.317 1.00 0.00 O ATOM 714 CB ILE A 48 7.766 10.339 1.979 1.00 0.00 C ATOM 715 CG1 ILE A 48 8.669 11.092 1.000 1.00 0.00 C ATOM 716 CG2 ILE A 48 6.457 9.950 1.308 1.00 0.00 C ATOM 717 CD1 ILE A 48 8.039 12.349 0.442 1.00 0.00 C ATOM 0 H ILE A 48 9.582 11.297 3.403 1.00 0.00 H new ATOM 0 HA ILE A 48 7.018 12.129 2.920 1.00 0.00 H new ATOM 0 HB ILE A 48 8.278 9.428 2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.599 11.354 1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.930 10.429 0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.666 9.343 0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.846 9.378 2.006 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.920 10.850 1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.735 12.831 -0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.124 12.092 -0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.803 13.031 1.259 1.00 0.00 H new ATOM 729 N SER A 49 7.083 9.385 4.783 1.00 0.00 N ATOM 730 CA SER A 49 6.295 8.571 5.701 1.00 0.00 C ATOM 731 C SER A 49 5.648 9.438 6.777 1.00 0.00 C ATOM 732 O SER A 49 4.473 9.269 7.103 1.00 0.00 O ATOM 733 CB SER A 49 7.175 7.502 6.353 1.00 0.00 C ATOM 734 OG SER A 49 7.860 6.740 5.374 1.00 0.00 O ATOM 0 H SER A 49 8.048 9.076 4.667 1.00 0.00 H new ATOM 0 HA SER A 49 5.506 8.083 5.129 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.896 7.976 7.019 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.559 6.844 6.966 1.00 0.00 H new ATOM 0 HG SER A 49 8.417 6.065 5.815 1.00 0.00 H new ATOM 740 N VAL A 50 6.425 10.366 7.326 1.00 0.00 N ATOM 741 CA VAL A 50 5.929 11.261 8.365 1.00 0.00 C ATOM 742 C VAL A 50 4.741 12.077 7.866 1.00 0.00 C ATOM 743 O VAL A 50 3.803 12.349 8.616 1.00 0.00 O ATOM 744 CB VAL A 50 7.030 12.222 8.851 1.00 0.00 C ATOM 745 CG1 VAL A 50 6.484 13.169 9.909 1.00 0.00 C ATOM 746 CG2 VAL A 50 8.220 11.441 9.385 1.00 0.00 C ATOM 0 H VAL A 50 7.400 10.518 7.069 1.00 0.00 H new ATOM 0 HA VAL A 50 5.611 10.634 9.198 1.00 0.00 H new ATOM 0 HB VAL A 50 7.367 12.819 8.004 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.276 13.840 10.240 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.666 13.753 9.487 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.118 12.593 10.759 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.989 12.136 9.724 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.901 10.817 10.220 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.625 10.809 8.594 1.00 0.00 H new ATOM 756 N ILE A 51 4.788 12.465 6.596 1.00 0.00 N ATOM 757 CA ILE A 51 3.715 13.249 5.997 1.00 0.00 C ATOM 758 C ILE A 51 2.443 12.420 5.855 1.00 0.00 C ATOM 759 O ILE A 51 1.338 12.914 6.088 1.00 0.00 O ATOM 760 CB ILE A 51 4.119 13.790 4.613 1.00 0.00 C ATOM 761 CG1 ILE A 51 5.359 14.678 4.730 1.00 0.00 C ATOM 762 CG2 ILE A 51 2.965 14.560 3.988 1.00 0.00 C ATOM 763 CD1 ILE A 51 5.919 15.113 3.394 1.00 0.00 C ATOM 0 H ILE A 51 5.557 12.249 5.962 1.00 0.00 H new ATOM 0 HA ILE A 51 3.526 14.089 6.665 1.00 0.00 H new ATOM 0 HB ILE A 51 4.360 12.947 3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.108 15.563 5.315 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.131 14.140 5.280 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.266 14.936 3.010 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.106 13.899 3.874 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.695 15.397 4.632 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.796 15.740 3.554 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.201 14.234 2.814 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.163 15.679 2.850 1.00 0.00 H new ATOM 775 N LEU A 52 2.604 11.158 5.474 1.00 0.00 N ATOM 776 CA LEU A 52 1.468 10.259 5.304 1.00 0.00 C ATOM 777 C LEU A 52 0.615 10.214 6.567 1.00 0.00 C ATOM 778 O LEU A 52 -0.603 10.384 6.512 1.00 0.00 O ATOM 779 CB LEU A 52 1.955 8.852 4.953 1.00 0.00 C ATOM 780 CG LEU A 52 2.156 8.562 3.465 1.00 0.00 C ATOM 781 CD1 LEU A 52 0.859 8.775 2.700 1.00 0.00 C ATOM 782 CD2 LEU A 52 3.263 9.439 2.897 1.00 0.00 C ATOM 0 H LEU A 52 3.510 10.734 5.277 1.00 0.00 H new ATOM 0 HA LEU A 52 0.854 10.639 4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.900 8.678 5.467 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.239 8.132 5.349 1.00 0.00 H new ATOM 0 HG LEU A 52 2.452 7.519 3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.021 8.564 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.092 8.106 3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.533 9.808 2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.393 9.220 1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.995 10.488 3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.194 9.238 3.426 1.00 0.00 H new ATOM 794 N GLY A 53 1.263 9.986 7.705 1.00 0.00 N ATOM 795 CA GLY A 53 0.547 9.925 8.967 1.00 0.00 C ATOM 796 C GLY A 53 -0.349 11.128 9.184 1.00 0.00 C ATOM 797 O GLY A 53 -1.519 10.983 9.536 1.00 0.00 O ATOM 0 H GLY A 53 2.270 9.842 7.776 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.056 9.017 8.996 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.264 9.858 9.785 1.00 0.00 H new ATOM 801 N ASP A 54 0.202 12.319 8.975 1.00 0.00 N ATOM 802 CA ASP A 54 -0.556 13.553 9.150 1.00 0.00 C ATOM 803 C ASP A 54 -1.866 13.501 8.371 1.00 0.00 C ATOM 804 O ASP A 54 -2.912 13.922 8.867 1.00 0.00 O ATOM 805 CB ASP A 54 0.274 14.755 8.697 1.00 0.00 C ATOM 806 CG ASP A 54 -0.148 16.041 9.379 1.00 0.00 C ATOM 807 OD1 ASP A 54 -0.268 16.042 10.623 1.00 0.00 O ATOM 808 OD2 ASP A 54 -0.360 17.047 8.670 1.00 0.00 O ATOM 0 H ASP A 54 1.170 12.456 8.684 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.788 13.661 10.209 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.327 14.565 8.906 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.179 14.872 7.617 1.00 0.00 H new ATOM 813 N ARG A 55 -1.803 12.983 7.149 1.00 0.00 N ATOM 814 CA ARG A 55 -2.984 12.879 6.301 1.00 0.00 C ATOM 815 C ARG A 55 -3.997 11.907 6.897 1.00 0.00 C ATOM 816 O ARG A 55 -5.203 12.150 6.857 1.00 0.00 O ATOM 817 CB ARG A 55 -2.589 12.422 4.895 1.00 0.00 C ATOM 818 CG ARG A 55 -1.985 13.526 4.043 1.00 0.00 C ATOM 819 CD ARG A 55 -2.942 13.974 2.949 1.00 0.00 C ATOM 820 NE ARG A 55 -2.589 15.288 2.417 1.00 0.00 N ATOM 821 CZ ARG A 55 -3.260 15.890 1.442 1.00 0.00 C ATOM 822 NH1 ARG A 55 -4.314 15.299 0.895 1.00 0.00 N ATOM 823 NH2 ARG A 55 -2.878 17.086 1.012 1.00 0.00 N ATOM 0 H ARG A 55 -0.946 12.629 6.724 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.445 13.865 6.240 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.873 11.604 4.976 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.470 12.026 4.390 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.730 14.376 4.675 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.057 13.173 3.594 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.937 13.242 2.141 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.957 14.004 3.345 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.783 15.769 2.816 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.611 14.380 1.223 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.828 15.764 0.146 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.068 17.544 1.430 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.394 17.547 0.263 1.00 0.00 H new ATOM 837 N TRP A 56 -3.500 10.806 7.449 1.00 0.00 N ATOM 838 CA TRP A 56 -4.362 9.797 8.053 1.00 0.00 C ATOM 839 C TRP A 56 -5.088 10.360 9.270 1.00 0.00 C ATOM 840 O TRP A 56 -6.131 9.845 9.676 1.00 0.00 O ATOM 841 CB TRP A 56 -3.542 8.571 8.456 1.00 0.00 C ATOM 842 CG TRP A 56 -4.359 7.499 9.112 1.00 0.00 C ATOM 843 CD1 TRP A 56 -4.684 7.410 10.435 1.00 0.00 C ATOM 844 CD2 TRP A 56 -4.952 6.363 8.474 1.00 0.00 C ATOM 845 NE1 TRP A 56 -5.443 6.287 10.659 1.00 0.00 N ATOM 846 CE2 TRP A 56 -5.623 5.628 9.472 1.00 0.00 C ATOM 847 CE3 TRP A 56 -4.984 5.895 7.158 1.00 0.00 C ATOM 848 CZ2 TRP A 56 -6.315 4.453 9.192 1.00 0.00 C ATOM 849 CZ3 TRP A 56 -5.671 4.728 6.882 1.00 0.00 C ATOM 850 CH2 TRP A 56 -6.330 4.018 7.894 1.00 0.00 C ATOM 0 H TRP A 56 -2.504 10.589 7.491 1.00 0.00 H new ATOM 0 HA TRP A 56 -5.106 9.501 7.314 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.059 8.159 7.570 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.749 8.881 9.136 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -4.388 8.119 11.194 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.813 5.992 11.563 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.481 6.436 6.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.822 3.904 9.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.700 4.357 5.868 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.860 3.110 7.646 1.00 0.00 H new ATOM 861 N LYS A 57 -4.533 11.419 9.848 1.00 0.00 N ATOM 862 CA LYS A 57 -5.128 12.053 11.018 1.00 0.00 C ATOM 863 C LYS A 57 -6.254 12.999 10.610 1.00 0.00 C ATOM 864 O LYS A 57 -7.209 13.203 11.360 1.00 0.00 O ATOM 865 CB LYS A 57 -4.063 12.821 11.805 1.00 0.00 C ATOM 866 CG LYS A 57 -2.767 12.050 11.986 1.00 0.00 C ATOM 867 CD LYS A 57 -2.200 12.232 13.384 1.00 0.00 C ATOM 868 CE LYS A 57 -1.880 13.691 13.670 1.00 0.00 C ATOM 869 NZ LYS A 57 -0.836 14.220 12.749 1.00 0.00 N ATOM 0 H LYS A 57 -3.670 11.857 9.525 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.545 11.270 11.652 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.850 13.759 11.292 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.463 13.078 12.786 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.944 10.991 11.799 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.037 12.386 11.250 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.916 11.865 14.119 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.296 11.632 13.492 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.787 14.288 13.572 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.541 13.793 14.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.166 14.807 13.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.327 13.427 12.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.286 14.796 12.009 1.00 0.00 H new ATOM 883 N LYS A 58 -6.136 13.573 9.418 1.00 0.00 N ATOM 884 CA LYS A 58 -7.144 14.495 8.909 1.00 0.00 C ATOM 885 C LYS A 58 -8.243 13.742 8.166 1.00 0.00 C ATOM 886 O LYS A 58 -9.403 14.155 8.170 1.00 0.00 O ATOM 887 CB LYS A 58 -6.499 15.525 7.979 1.00 0.00 C ATOM 888 CG LYS A 58 -6.630 16.956 8.474 1.00 0.00 C ATOM 889 CD LYS A 58 -5.879 17.926 7.577 1.00 0.00 C ATOM 890 CE LYS A 58 -4.991 18.859 8.386 1.00 0.00 C ATOM 891 NZ LYS A 58 -5.771 19.963 9.011 1.00 0.00 N ATOM 0 H LYS A 58 -5.351 13.416 8.786 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.591 15.011 9.759 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.442 15.285 7.862 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.955 15.447 6.992 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.683 17.234 8.511 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.245 17.027 9.491 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.270 17.368 6.865 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.591 18.512 6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.479 18.291 9.163 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.221 19.279 7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.130 20.577 9.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.239 20.521 8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.489 19.563 9.648 1.00 0.00 H new ATOM 905 N MET A 59 -7.872 12.635 7.531 1.00 0.00 N ATOM 906 CA MET A 59 -8.828 11.824 6.786 1.00 0.00 C ATOM 907 C MET A 59 -10.035 11.476 7.651 1.00 0.00 C ATOM 908 O MET A 59 -9.942 11.434 8.878 1.00 0.00 O ATOM 909 CB MET A 59 -8.159 10.543 6.283 1.00 0.00 C ATOM 910 CG MET A 59 -7.654 10.642 4.853 1.00 0.00 C ATOM 911 SD MET A 59 -7.482 9.031 4.064 1.00 0.00 S ATOM 912 CE MET A 59 -6.518 8.153 5.292 1.00 0.00 C ATOM 0 H MET A 59 -6.916 12.279 7.517 1.00 0.00 H new ATOM 0 HA MET A 59 -9.172 12.405 5.931 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.323 10.298 6.939 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.870 9.720 6.352 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.341 11.256 4.271 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.690 11.150 4.847 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.434 7.104 5.007 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.522 8.592 5.355 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.010 8.228 6.262 1.00 0.00 H new ATOM 922 N LYS A 60 -11.169 11.228 7.004 1.00 0.00 N ATOM 923 CA LYS A 60 -12.395 10.882 7.713 1.00 0.00 C ATOM 924 C LYS A 60 -12.418 9.399 8.070 1.00 0.00 C ATOM 925 O LYS A 60 -11.488 8.660 7.749 1.00 0.00 O ATOM 926 CB LYS A 60 -13.617 11.231 6.860 1.00 0.00 C ATOM 927 CG LYS A 60 -13.779 12.720 6.610 1.00 0.00 C ATOM 928 CD LYS A 60 -15.106 13.234 7.143 1.00 0.00 C ATOM 929 CE LYS A 60 -14.954 13.832 8.533 1.00 0.00 C ATOM 930 NZ LYS A 60 -14.661 15.291 8.481 1.00 0.00 N ATOM 0 H LYS A 60 -11.264 11.260 5.989 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.426 11.460 8.637 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.540 10.717 5.902 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.513 10.854 7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.961 13.261 7.086 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.714 12.919 5.540 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.505 13.987 6.463 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.828 12.418 7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -15.869 13.666 9.102 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.151 13.319 9.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.565 15.660 9.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.775 15.449 7.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.439 15.784 7.998 1.00 0.00 H new ATOM 944 N ASN A 61 -13.487 8.971 8.734 1.00 0.00 N ATOM 945 CA ASN A 61 -13.630 7.576 9.133 1.00 0.00 C ATOM 946 C ASN A 61 -13.873 6.685 7.919 1.00 0.00 C ATOM 947 O ASN A 61 -13.486 5.517 7.907 1.00 0.00 O ATOM 948 CB ASN A 61 -14.782 7.425 10.129 1.00 0.00 C ATOM 949 CG ASN A 61 -15.047 5.976 10.492 1.00 0.00 C ATOM 950 OD1 ASN A 61 -14.158 5.273 10.971 1.00 0.00 O ATOM 951 ND2 ASN A 61 -16.274 5.524 10.264 1.00 0.00 N ATOM 0 H ASN A 61 -14.266 9.570 9.007 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.701 7.263 9.611 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -14.552 7.987 11.034 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.686 7.861 9.704 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -16.511 4.558 10.488 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -16.980 6.143 9.865 1.00 0.00 H new ATOM 958 N GLU A 62 -14.516 7.245 6.899 1.00 0.00 N ATOM 959 CA GLU A 62 -14.811 6.501 5.681 1.00 0.00 C ATOM 960 C GLU A 62 -13.602 6.482 4.749 1.00 0.00 C ATOM 961 O GLU A 62 -13.328 5.479 4.092 1.00 0.00 O ATOM 962 CB GLU A 62 -16.014 7.113 4.960 1.00 0.00 C ATOM 963 CG GLU A 62 -16.513 6.280 3.792 1.00 0.00 C ATOM 964 CD GLU A 62 -17.976 6.528 3.481 1.00 0.00 C ATOM 965 OE1 GLU A 62 -18.292 7.604 2.932 1.00 0.00 O ATOM 966 OE2 GLU A 62 -18.805 5.645 3.787 1.00 0.00 O ATOM 0 H GLU A 62 -14.842 8.211 6.892 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.049 5.475 5.962 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.827 7.245 5.675 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.744 8.105 4.598 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.915 6.504 2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.367 5.223 4.016 1.00 0.00 H new ATOM 973 N GLU A 63 -12.883 7.600 4.699 1.00 0.00 N ATOM 974 CA GLU A 63 -11.705 7.712 3.848 1.00 0.00 C ATOM 975 C GLU A 63 -10.674 6.644 4.203 1.00 0.00 C ATOM 976 O GLU A 63 -9.828 6.286 3.383 1.00 0.00 O ATOM 977 CB GLU A 63 -11.082 9.103 3.982 1.00 0.00 C ATOM 978 CG GLU A 63 -12.026 10.231 3.603 1.00 0.00 C ATOM 979 CD GLU A 63 -12.234 10.340 2.105 1.00 0.00 C ATOM 980 OE1 GLU A 63 -11.228 10.445 1.373 1.00 0.00 O ATOM 981 OE2 GLU A 63 -13.402 10.320 1.664 1.00 0.00 O ATOM 0 H GLU A 63 -13.096 8.440 5.238 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.019 7.561 2.815 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.752 9.247 5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.194 9.156 3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.989 10.073 4.089 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.630 11.174 3.980 1.00 0.00 H new ATOM 988 N ARG A 64 -10.750 6.141 5.430 1.00 0.00 N ATOM 989 CA ARG A 64 -9.823 5.117 5.895 1.00 0.00 C ATOM 990 C ARG A 64 -10.425 3.724 5.732 1.00 0.00 C ATOM 991 O ARG A 64 -9.702 2.733 5.632 1.00 0.00 O ATOM 992 CB ARG A 64 -9.457 5.357 7.361 1.00 0.00 C ATOM 993 CG ARG A 64 -8.652 6.627 7.587 1.00 0.00 C ATOM 994 CD ARG A 64 -8.511 6.940 9.069 1.00 0.00 C ATOM 995 NE ARG A 64 -9.646 7.706 9.577 1.00 0.00 N ATOM 996 CZ ARG A 64 -9.739 8.140 10.829 1.00 0.00 C ATOM 997 NH1 ARG A 64 -8.769 7.886 11.695 1.00 0.00 N ATOM 998 NH2 ARG A 64 -10.804 8.831 11.216 1.00 0.00 N ATOM 0 H ARG A 64 -11.444 6.426 6.121 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.920 5.178 5.287 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.372 5.407 7.952 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.886 4.504 7.729 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.663 6.517 7.141 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.138 7.462 7.082 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.422 6.009 9.629 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.591 7.501 9.235 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.409 7.919 8.935 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.949 7.356 11.401 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.843 8.220 12.656 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.552 9.029 10.552 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.874 9.164 12.178 1.00 0.00 H new ATOM 1012 N ARG A 65 -11.752 3.658 5.707 1.00 0.00 N ATOM 1013 CA ARG A 65 -12.451 2.388 5.558 1.00 0.00 C ATOM 1014 C ARG A 65 -11.927 1.617 4.350 1.00 0.00 C ATOM 1015 O ARG A 65 -11.785 0.396 4.395 1.00 0.00 O ATOM 1016 CB ARG A 65 -13.956 2.623 5.413 1.00 0.00 C ATOM 1017 CG ARG A 65 -14.806 1.504 5.992 1.00 0.00 C ATOM 1018 CD ARG A 65 -16.290 1.818 5.881 1.00 0.00 C ATOM 1019 NE ARG A 65 -17.113 0.816 6.553 1.00 0.00 N ATOM 1020 CZ ARG A 65 -18.413 0.660 6.327 1.00 0.00 C ATOM 1021 NH1 ARG A 65 -19.034 1.437 5.451 1.00 0.00 N ATOM 1022 NH2 ARG A 65 -19.093 -0.274 6.978 1.00 0.00 N ATOM 0 H ARG A 65 -12.365 4.470 5.788 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.268 1.794 6.454 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.218 3.559 5.906 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.197 2.741 4.356 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.590 0.573 5.468 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.543 1.350 7.038 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.486 2.799 6.315 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.571 1.872 4.829 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.665 0.202 7.233 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.514 2.156 4.949 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -20.032 1.315 5.279 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.618 -0.873 7.653 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -20.091 -0.393 6.804 1.00 0.00 H new ATOM 1036 N MET A 66 -11.642 2.340 3.272 1.00 0.00 N ATOM 1037 CA MET A 66 -11.133 1.724 2.052 1.00 0.00 C ATOM 1038 C MET A 66 -9.927 0.839 2.352 1.00 0.00 C ATOM 1039 O MET A 66 -9.711 -0.177 1.691 1.00 0.00 O ATOM 1040 CB MET A 66 -10.750 2.799 1.034 1.00 0.00 C ATOM 1041 CG MET A 66 -9.708 3.779 1.548 1.00 0.00 C ATOM 1042 SD MET A 66 -9.533 5.227 0.487 1.00 0.00 S ATOM 1043 CE MET A 66 -11.163 5.956 0.639 1.00 0.00 C ATOM 0 H MET A 66 -11.755 3.352 3.218 1.00 0.00 H new ATOM 0 HA MET A 66 -11.923 1.101 1.632 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.370 2.316 0.134 1.00 0.00 H new ATOM 0 HB3 MET A 66 -11.645 3.351 0.746 1.00 0.00 H new ATOM 0 HG2 MET A 66 -9.982 4.101 2.553 1.00 0.00 H new ATOM 0 HG3 MET A 66 -8.746 3.273 1.627 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.076 7.042 0.650 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.779 5.649 -0.206 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.627 5.620 1.566 1.00 0.00 H new ATOM 1053 N TYR A 67 -9.145 1.231 3.352 1.00 0.00 N ATOM 1054 CA TYR A 67 -7.960 0.475 3.737 1.00 0.00 C ATOM 1055 C TYR A 67 -8.269 -0.469 4.895 1.00 0.00 C ATOM 1056 O TYR A 67 -7.660 -1.532 5.025 1.00 0.00 O ATOM 1057 CB TYR A 67 -6.827 1.426 4.128 1.00 0.00 C ATOM 1058 CG TYR A 67 -6.641 2.575 3.163 1.00 0.00 C ATOM 1059 CD1 TYR A 67 -6.042 2.379 1.925 1.00 0.00 C ATOM 1060 CD2 TYR A 67 -7.066 3.857 3.490 1.00 0.00 C ATOM 1061 CE1 TYR A 67 -5.870 3.426 1.041 1.00 0.00 C ATOM 1062 CE2 TYR A 67 -6.899 4.910 2.611 1.00 0.00 C ATOM 1063 CZ TYR A 67 -6.300 4.690 1.388 1.00 0.00 C ATOM 1064 OH TYR A 67 -6.131 5.735 0.510 1.00 0.00 O ATOM 0 H TYR A 67 -9.311 2.068 3.910 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.646 -0.121 2.880 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.026 1.826 5.122 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.896 0.862 4.192 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.705 1.391 1.649 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.535 4.033 4.447 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.401 3.256 0.083 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.236 5.900 2.880 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.221 5.714 0.147 1.00 0.00 H new ATOM 1074 N THR A 68 -9.220 -0.074 5.735 1.00 0.00 N ATOM 1075 CA THR A 68 -9.611 -0.883 6.883 1.00 0.00 C ATOM 1076 C THR A 68 -10.137 -2.244 6.442 1.00 0.00 C ATOM 1077 O THR A 68 -9.546 -3.279 6.752 1.00 0.00 O ATOM 1078 CB THR A 68 -10.690 -0.177 7.726 1.00 0.00 C ATOM 1079 OG1 THR A 68 -10.455 1.236 7.738 1.00 0.00 O ATOM 1080 CG2 THR A 68 -10.695 -0.707 9.152 1.00 0.00 C ATOM 0 H THR A 68 -9.734 0.802 5.642 1.00 0.00 H new ATOM 0 HA THR A 68 -8.717 -1.021 7.492 1.00 0.00 H new ATOM 0 HB THR A 68 -11.662 -0.380 7.276 1.00 0.00 H new ATOM 0 HG1 THR A 68 -11.172 1.683 8.234 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.465 -0.194 9.728 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.902 -1.777 9.142 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.721 -0.530 9.609 1.00 0.00 H new ATOM 1088 N LEU A 69 -11.250 -2.237 5.718 1.00 0.00 N ATOM 1089 CA LEU A 69 -11.856 -3.472 5.233 1.00 0.00 C ATOM 1090 C LEU A 69 -10.911 -4.208 4.288 1.00 0.00 C ATOM 1091 O LEU A 69 -10.773 -5.428 4.359 1.00 0.00 O ATOM 1092 CB LEU A 69 -13.176 -3.172 4.522 1.00 0.00 C ATOM 1093 CG LEU A 69 -14.348 -2.777 5.421 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -15.281 -1.822 4.693 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -15.104 -4.014 5.885 1.00 0.00 C ATOM 0 H LEU A 69 -11.752 -1.389 5.453 1.00 0.00 H new ATOM 0 HA LEU A 69 -12.052 -4.113 6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.006 -2.367 3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.465 -4.053 3.948 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.952 -2.267 6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -16.109 -1.552 5.348 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.733 -0.923 4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -15.670 -2.306 3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.935 -3.714 6.524 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.488 -4.552 5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.431 -4.663 6.446 1.00 0.00 H new ATOM 1107 N GLU A 70 -10.262 -3.455 3.405 1.00 0.00 N ATOM 1108 CA GLU A 70 -9.329 -4.037 2.446 1.00 0.00 C ATOM 1109 C GLU A 70 -8.209 -4.784 3.163 1.00 0.00 C ATOM 1110 O GLU A 70 -8.055 -5.995 3.003 1.00 0.00 O ATOM 1111 CB GLU A 70 -8.738 -2.946 1.551 1.00 0.00 C ATOM 1112 CG GLU A 70 -7.847 -3.484 0.444 1.00 0.00 C ATOM 1113 CD GLU A 70 -8.602 -4.350 -0.545 1.00 0.00 C ATOM 1114 OE1 GLU A 70 -9.692 -3.932 -0.989 1.00 0.00 O ATOM 1115 OE2 GLU A 70 -8.103 -5.446 -0.875 1.00 0.00 O ATOM 0 H GLU A 70 -10.365 -2.443 3.334 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.878 -4.747 1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.551 -2.373 1.105 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.162 -2.255 2.167 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.389 -2.649 -0.086 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.037 -4.065 0.885 1.00 0.00 H new ATOM 1122 N ALA A 71 -7.428 -4.054 3.953 1.00 0.00 N ATOM 1123 CA ALA A 71 -6.323 -4.647 4.695 1.00 0.00 C ATOM 1124 C ALA A 71 -6.798 -5.824 5.540 1.00 0.00 C ATOM 1125 O ALA A 71 -6.032 -6.743 5.829 1.00 0.00 O ATOM 1126 CB ALA A 71 -5.655 -3.599 5.573 1.00 0.00 C ATOM 0 H ALA A 71 -7.541 -3.050 4.095 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.594 -5.021 3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.831 -4.056 6.122 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.272 -2.792 4.949 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.383 -3.198 6.278 1.00 0.00 H new ATOM 1132 N LYS A 72 -8.066 -5.789 5.934 1.00 0.00 N ATOM 1133 CA LYS A 72 -8.645 -6.854 6.746 1.00 0.00 C ATOM 1134 C LYS A 72 -8.667 -8.172 5.979 1.00 0.00 C ATOM 1135 O LYS A 72 -8.174 -9.191 6.464 1.00 0.00 O ATOM 1136 CB LYS A 72 -10.064 -6.479 7.178 1.00 0.00 C ATOM 1137 CG LYS A 72 -10.555 -7.252 8.390 1.00 0.00 C ATOM 1138 CD LYS A 72 -11.697 -6.532 9.086 1.00 0.00 C ATOM 1139 CE LYS A 72 -13.047 -6.960 8.532 1.00 0.00 C ATOM 1140 NZ LYS A 72 -13.167 -6.670 7.077 1.00 0.00 N ATOM 0 H LYS A 72 -8.713 -5.035 5.704 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.023 -6.980 7.632 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.097 -5.412 7.400 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.746 -6.653 6.346 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.884 -8.244 8.081 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.732 -7.393 9.091 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.660 -6.738 10.156 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.578 -5.455 8.964 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.187 -8.027 8.702 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.841 -6.444 9.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.172 -6.617 6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.706 -5.762 6.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.707 -7.428 6.533 1.00 0.00 H new