USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=14 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= -1.02 K(o=-1,f=-6.4!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= -0.0556 (180deg=-0.434) USER MOD Single : A 31 LYS NZ :NH3+ -123:sc= -0.394 (180deg=-3.22!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 120:sc= -0.399 USER MOD Single : A 37 THR OG1 : rot 54:sc= -0.352 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 39 MET CE :methyl -156:sc= -0.396 (180deg=-1.73!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.47) USER MOD Single : A 49 SER OG : rot 46:sc= 0.406 USER MOD Single : A 57 LYS NZ :NH3+ 166:sc= -0.0691 (180deg=-0.348) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 176:sc= -1.31 (180deg=-1.34) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 66 MET CE :methyl 145:sc= -0.631 (180deg=-4.75!) USER MOD Single : A 67 TYR OH : rot 113:sc= 0.00195 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.869 USER MOD Single : A 72 LYS NZ :NH3+ 155:sc= -0.0929 (180deg=-0.59) USER MOD ----------------------------------------------------------------- ATOM 287 N ASN A 23 -1.308 -3.212 8.385 1.00 0.00 N ATOM 288 CA ASN A 23 -2.555 -2.670 8.913 1.00 0.00 C ATOM 289 C ASN A 23 -3.197 -1.712 7.914 1.00 0.00 C ATOM 290 O ASN A 23 -2.771 -1.622 6.763 1.00 0.00 O ATOM 291 CB ASN A 23 -2.301 -1.948 10.238 1.00 0.00 C ATOM 292 CG ASN A 23 -1.809 -0.528 10.037 1.00 0.00 C ATOM 293 OD1 ASN A 23 -2.517 0.434 10.334 1.00 0.00 O ATOM 294 ND2 ASN A 23 -0.589 -0.391 9.531 1.00 0.00 N ATOM 0 HA ASN A 23 -3.240 -3.501 9.085 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.221 -1.932 10.822 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.566 -2.506 10.818 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.204 0.540 9.374 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.037 -1.217 9.299 1.00 0.00 H new ATOM 301 N ALA A 24 -4.224 -0.998 8.364 1.00 0.00 N ATOM 302 CA ALA A 24 -4.924 -0.045 7.511 1.00 0.00 C ATOM 303 C ALA A 24 -3.985 1.059 7.037 1.00 0.00 C ATOM 304 O ALA A 24 -3.929 1.371 5.847 1.00 0.00 O ATOM 305 CB ALA A 24 -6.113 0.551 8.250 1.00 0.00 C ATOM 0 H ALA A 24 -4.590 -1.062 9.314 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.287 -0.579 6.633 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.626 1.261 7.601 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.802 -0.245 8.533 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.764 1.065 9.146 1.00 0.00 H new ATOM 311 N PHE A 25 -3.250 1.647 7.974 1.00 0.00 N ATOM 312 CA PHE A 25 -2.315 2.719 7.652 1.00 0.00 C ATOM 313 C PHE A 25 -1.307 2.263 6.601 1.00 0.00 C ATOM 314 O PHE A 25 -0.972 3.010 5.682 1.00 0.00 O ATOM 315 CB PHE A 25 -1.581 3.180 8.913 1.00 0.00 C ATOM 316 CG PHE A 25 -0.524 4.214 8.647 1.00 0.00 C ATOM 317 CD1 PHE A 25 -0.873 5.528 8.384 1.00 0.00 C ATOM 318 CD2 PHE A 25 0.818 3.871 8.661 1.00 0.00 C ATOM 319 CE1 PHE A 25 0.097 6.481 8.138 1.00 0.00 C ATOM 320 CE2 PHE A 25 1.793 4.820 8.416 1.00 0.00 C ATOM 321 CZ PHE A 25 1.432 6.127 8.156 1.00 0.00 C ATOM 0 H PHE A 25 -3.283 1.400 8.963 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.885 3.555 7.246 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.306 3.586 9.618 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.120 2.316 9.392 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.915 5.811 8.371 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.106 2.850 8.866 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.189 7.502 7.932 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.836 4.539 8.428 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.192 6.871 7.967 1.00 0.00 H new ATOM 331 N MET A 26 -0.827 1.032 6.745 1.00 0.00 N ATOM 332 CA MET A 26 0.143 0.476 5.808 1.00 0.00 C ATOM 333 C MET A 26 -0.347 0.618 4.371 1.00 0.00 C ATOM 334 O MET A 26 0.403 1.033 3.486 1.00 0.00 O ATOM 335 CB MET A 26 0.404 -0.997 6.126 1.00 0.00 C ATOM 336 CG MET A 26 1.549 -1.214 7.103 1.00 0.00 C ATOM 337 SD MET A 26 2.929 -2.112 6.368 1.00 0.00 S ATOM 338 CE MET A 26 4.051 -2.209 7.760 1.00 0.00 C ATOM 0 H MET A 26 -1.093 0.401 7.501 1.00 0.00 H new ATOM 0 HA MET A 26 1.074 1.034 5.913 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.504 -1.438 6.539 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.623 -1.527 5.199 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.901 -0.248 7.465 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.183 -1.765 7.969 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.956 -2.739 7.462 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.312 -1.203 8.088 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.570 -2.744 8.579 1.00 0.00 H new ATOM 348 N LEU A 27 -1.609 0.272 4.143 1.00 0.00 N ATOM 349 CA LEU A 27 -2.200 0.361 2.812 1.00 0.00 C ATOM 350 C LEU A 27 -2.195 1.801 2.310 1.00 0.00 C ATOM 351 O LEU A 27 -2.019 2.053 1.117 1.00 0.00 O ATOM 352 CB LEU A 27 -3.630 -0.180 2.830 1.00 0.00 C ATOM 353 CG LEU A 27 -4.045 -1.019 1.621 1.00 0.00 C ATOM 354 CD1 LEU A 27 -3.139 -2.232 1.476 1.00 0.00 C ATOM 355 CD2 LEU A 27 -5.500 -1.451 1.745 1.00 0.00 C ATOM 0 H LEU A 27 -2.244 -0.073 4.863 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.599 -0.243 2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.757 -0.785 3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.315 0.663 2.914 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.943 -0.405 0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.450 -2.817 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.109 -1.903 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.208 -2.847 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.778 -2.047 0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.627 -2.047 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.138 -0.569 1.799 1.00 0.00 H new ATOM 367 N PHE A 28 -2.386 2.743 3.227 1.00 0.00 N ATOM 368 CA PHE A 28 -2.402 4.159 2.878 1.00 0.00 C ATOM 369 C PHE A 28 -1.007 4.639 2.490 1.00 0.00 C ATOM 370 O PHE A 28 -0.780 5.072 1.360 1.00 0.00 O ATOM 371 CB PHE A 28 -2.933 4.989 4.048 1.00 0.00 C ATOM 372 CG PHE A 28 -2.720 6.466 3.881 1.00 0.00 C ATOM 373 CD1 PHE A 28 -1.558 7.068 4.336 1.00 0.00 C ATOM 374 CD2 PHE A 28 -3.682 7.253 3.268 1.00 0.00 C ATOM 375 CE1 PHE A 28 -1.359 8.428 4.183 1.00 0.00 C ATOM 376 CE2 PHE A 28 -3.488 8.612 3.111 1.00 0.00 C ATOM 377 CZ PHE A 28 -2.326 9.201 3.571 1.00 0.00 C ATOM 0 H PHE A 28 -2.532 2.552 4.218 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.063 4.289 2.021 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.999 4.795 4.166 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.446 4.661 4.966 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.799 6.468 4.816 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.594 6.799 2.909 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.449 8.885 4.542 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.244 9.214 2.629 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.174 10.264 3.452 1.00 0.00 H new ATOM 387 N ALA A 29 -0.076 4.560 3.435 1.00 0.00 N ATOM 388 CA ALA A 29 1.297 4.985 3.193 1.00 0.00 C ATOM 389 C ALA A 29 1.887 4.271 1.982 1.00 0.00 C ATOM 390 O ALA A 29 2.763 4.804 1.300 1.00 0.00 O ATOM 391 CB ALA A 29 2.152 4.733 4.426 1.00 0.00 C ATOM 0 H ALA A 29 -0.248 4.205 4.376 1.00 0.00 H new ATOM 0 HA ALA A 29 1.289 6.054 2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.175 5.055 4.231 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.749 5.294 5.269 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.145 3.669 4.662 1.00 0.00 H new ATOM 397 N LYS A 30 1.402 3.063 1.719 1.00 0.00 N ATOM 398 CA LYS A 30 1.880 2.275 0.589 1.00 0.00 C ATOM 399 C LYS A 30 1.297 2.793 -0.722 1.00 0.00 C ATOM 400 O LYS A 30 2.032 3.169 -1.635 1.00 0.00 O ATOM 401 CB LYS A 30 1.512 0.801 0.776 1.00 0.00 C ATOM 402 CG LYS A 30 2.146 -0.119 -0.252 1.00 0.00 C ATOM 403 CD LYS A 30 1.592 -1.531 -0.154 1.00 0.00 C ATOM 404 CE LYS A 30 0.216 -1.635 -0.794 1.00 0.00 C ATOM 405 NZ LYS A 30 0.269 -1.399 -2.264 1.00 0.00 N ATOM 0 H LYS A 30 0.677 2.607 2.274 1.00 0.00 H new ATOM 0 HA LYS A 30 2.965 2.370 0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.817 0.483 1.773 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.428 0.697 0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.967 0.274 -1.253 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.226 -0.140 -0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.275 -2.226 -0.642 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.531 -1.827 0.893 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.201 -2.623 -0.600 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.455 -0.909 -0.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.564 -1.828 -2.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.276 -0.376 -2.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.132 -1.828 -2.654 1.00 0.00 H new ATOM 419 N LYS A 31 -0.029 2.812 -0.807 1.00 0.00 N ATOM 420 CA LYS A 31 -0.712 3.287 -2.005 1.00 0.00 C ATOM 421 C LYS A 31 -0.307 4.721 -2.330 1.00 0.00 C ATOM 422 O LYS A 31 -0.362 5.145 -3.484 1.00 0.00 O ATOM 423 CB LYS A 31 -2.229 3.204 -1.818 1.00 0.00 C ATOM 424 CG LYS A 31 -3.017 3.825 -2.959 1.00 0.00 C ATOM 425 CD LYS A 31 -4.513 3.760 -2.703 1.00 0.00 C ATOM 426 CE LYS A 31 -5.035 2.335 -2.809 1.00 0.00 C ATOM 427 NZ LYS A 31 -4.969 1.621 -1.504 1.00 0.00 N ATOM 0 H LYS A 31 -0.652 2.504 -0.061 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.419 2.648 -2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.517 2.158 -1.715 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.500 3.702 -0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.714 4.864 -3.089 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.783 3.306 -3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.731 4.156 -1.711 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.034 4.394 -3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.066 2.351 -3.162 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.453 1.789 -3.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.403 0.755 -1.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.527 2.238 -0.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.930 1.371 -1.196 1.00 0.00 H new ATOM 441 N TYR A 32 0.102 5.462 -1.306 1.00 0.00 N ATOM 442 CA TYR A 32 0.515 6.849 -1.483 1.00 0.00 C ATOM 443 C TYR A 32 2.025 6.992 -1.319 1.00 0.00 C ATOM 444 O TYR A 32 2.553 8.103 -1.268 1.00 0.00 O ATOM 445 CB TYR A 32 -0.205 7.750 -0.480 1.00 0.00 C ATOM 446 CG TYR A 32 -1.656 8.001 -0.824 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.654 7.140 -0.383 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.029 9.098 -1.590 1.00 0.00 C ATOM 449 CE1 TYR A 32 -3.981 7.365 -0.695 1.00 0.00 C ATOM 450 CE2 TYR A 32 -3.354 9.332 -1.906 1.00 0.00 C ATOM 451 CZ TYR A 32 -4.325 8.462 -1.457 1.00 0.00 C ATOM 452 OH TYR A 32 -5.646 8.690 -1.770 1.00 0.00 O ATOM 0 H TYR A 32 0.156 5.125 -0.345 1.00 0.00 H new ATOM 0 HA TYR A 32 0.246 7.155 -2.494 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.148 7.296 0.509 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.317 8.705 -0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.388 6.280 0.214 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.270 9.780 -1.945 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.744 6.686 -0.344 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.627 10.191 -2.501 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.718 9.504 -2.311 1.00 0.00 H new ATOM 462 N ARG A 33 2.715 5.858 -1.238 1.00 0.00 N ATOM 463 CA ARG A 33 4.164 5.856 -1.080 1.00 0.00 C ATOM 464 C ARG A 33 4.843 6.522 -2.273 1.00 0.00 C ATOM 465 O ARG A 33 5.482 7.566 -2.134 1.00 0.00 O ATOM 466 CB ARG A 33 4.679 4.424 -0.921 1.00 0.00 C ATOM 467 CG ARG A 33 5.941 4.320 -0.080 1.00 0.00 C ATOM 468 CD ARG A 33 5.614 4.160 1.397 1.00 0.00 C ATOM 469 NE ARG A 33 6.804 3.870 2.192 1.00 0.00 N ATOM 470 CZ ARG A 33 7.756 4.763 2.442 1.00 0.00 C ATOM 471 NH1 ARG A 33 7.657 5.994 1.962 1.00 0.00 N ATOM 472 NH2 ARG A 33 8.809 4.423 3.175 1.00 0.00 N ATOM 0 H ARG A 33 2.294 4.930 -1.279 1.00 0.00 H new ATOM 0 HA ARG A 33 4.407 6.425 -0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.898 3.815 -0.466 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.875 4.006 -1.908 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.535 3.470 -0.417 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.550 5.212 -0.224 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.145 5.072 1.766 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.889 3.356 1.523 1.00 0.00 H new ATOM 0 HE ARG A 33 6.910 2.931 2.576 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.849 6.258 1.399 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.389 6.677 2.156 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.888 3.476 3.546 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.540 5.108 3.367 1.00 0.00 H new ATOM 486 N VAL A 34 4.701 5.912 -3.445 1.00 0.00 N ATOM 487 CA VAL A 34 5.299 6.445 -4.663 1.00 0.00 C ATOM 488 C VAL A 34 4.681 7.788 -5.036 1.00 0.00 C ATOM 489 O VAL A 34 5.358 8.668 -5.566 1.00 0.00 O ATOM 490 CB VAL A 34 5.134 5.470 -5.843 1.00 0.00 C ATOM 491 CG1 VAL A 34 3.661 5.210 -6.119 1.00 0.00 C ATOM 492 CG2 VAL A 34 5.829 6.013 -7.083 1.00 0.00 C ATOM 0 H VAL A 34 4.176 5.047 -3.577 1.00 0.00 H new ATOM 0 HA VAL A 34 6.361 6.581 -4.461 1.00 0.00 H new ATOM 0 HB VAL A 34 5.602 4.522 -5.577 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.564 4.519 -6.956 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.196 4.775 -5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.166 6.149 -6.365 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.703 5.311 -7.908 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.392 6.974 -7.354 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.891 6.143 -6.877 1.00 0.00 H new ATOM 502 N GLU A 35 3.390 7.938 -4.755 1.00 0.00 N ATOM 503 CA GLU A 35 2.681 9.174 -5.062 1.00 0.00 C ATOM 504 C GLU A 35 3.342 10.366 -4.376 1.00 0.00 C ATOM 505 O GLU A 35 3.286 11.491 -4.872 1.00 0.00 O ATOM 506 CB GLU A 35 1.217 9.069 -4.628 1.00 0.00 C ATOM 507 CG GLU A 35 0.538 7.788 -5.082 1.00 0.00 C ATOM 508 CD GLU A 35 0.859 7.436 -6.521 1.00 0.00 C ATOM 509 OE1 GLU A 35 1.001 8.365 -7.343 1.00 0.00 O ATOM 510 OE2 GLU A 35 0.970 6.230 -6.826 1.00 0.00 O ATOM 0 H GLU A 35 2.815 7.219 -4.316 1.00 0.00 H new ATOM 0 HA GLU A 35 2.723 9.329 -6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.164 9.133 -3.541 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.667 9.922 -5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.847 6.968 -4.434 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.541 7.894 -4.970 1.00 0.00 H new ATOM 517 N TYR A 36 3.967 10.110 -3.232 1.00 0.00 N ATOM 518 CA TYR A 36 4.636 11.161 -2.475 1.00 0.00 C ATOM 519 C TYR A 36 6.113 11.246 -2.849 1.00 0.00 C ATOM 520 O TYR A 36 6.723 12.314 -2.784 1.00 0.00 O ATOM 521 CB TYR A 36 4.493 10.908 -0.973 1.00 0.00 C ATOM 522 CG TYR A 36 3.177 11.384 -0.402 1.00 0.00 C ATOM 523 CD1 TYR A 36 1.969 10.977 -0.954 1.00 0.00 C ATOM 524 CD2 TYR A 36 3.141 12.242 0.691 1.00 0.00 C ATOM 525 CE1 TYR A 36 0.764 11.410 -0.435 1.00 0.00 C ATOM 526 CE2 TYR A 36 1.941 12.679 1.218 1.00 0.00 C ATOM 527 CZ TYR A 36 0.755 12.261 0.650 1.00 0.00 C ATOM 528 OH TYR A 36 -0.443 12.694 1.171 1.00 0.00 O ATOM 0 H TYR A 36 4.024 9.184 -2.809 1.00 0.00 H new ATOM 0 HA TYR A 36 4.161 12.110 -2.723 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.598 9.840 -0.781 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.308 11.407 -0.450 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.972 10.310 -1.804 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.068 12.573 1.136 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.166 11.084 -0.877 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.931 13.344 2.069 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.514 12.412 2.107 1.00 0.00 H new ATOM 538 N THR A 37 6.683 10.111 -3.243 1.00 0.00 N ATOM 539 CA THR A 37 8.087 10.055 -3.627 1.00 0.00 C ATOM 540 C THR A 37 8.365 10.950 -4.829 1.00 0.00 C ATOM 541 O THR A 37 9.398 11.616 -4.893 1.00 0.00 O ATOM 542 CB THR A 37 8.520 8.615 -3.963 1.00 0.00 C ATOM 543 OG1 THR A 37 7.920 7.696 -3.044 1.00 0.00 O ATOM 544 CG2 THR A 37 10.034 8.479 -3.909 1.00 0.00 C ATOM 0 H THR A 37 6.193 9.218 -3.304 1.00 0.00 H new ATOM 0 HA THR A 37 8.663 10.410 -2.772 1.00 0.00 H new ATOM 0 HB THR A 37 8.186 8.385 -4.975 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.949 7.829 -3.035 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.316 7.454 -4.150 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.486 9.159 -4.631 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.386 8.727 -2.908 1.00 0.00 H new ATOM 552 N GLN A 38 7.436 10.961 -5.780 1.00 0.00 N ATOM 553 CA GLN A 38 7.582 11.776 -6.980 1.00 0.00 C ATOM 554 C GLN A 38 7.088 13.198 -6.736 1.00 0.00 C ATOM 555 O GLN A 38 7.566 14.147 -7.358 1.00 0.00 O ATOM 556 CB GLN A 38 6.812 11.149 -8.144 1.00 0.00 C ATOM 557 CG GLN A 38 7.384 9.819 -8.605 1.00 0.00 C ATOM 558 CD GLN A 38 6.952 9.454 -10.012 1.00 0.00 C ATOM 559 OE1 GLN A 38 7.279 10.149 -10.974 1.00 0.00 O ATOM 560 NE2 GLN A 38 6.213 8.358 -10.139 1.00 0.00 N ATOM 0 H GLN A 38 6.575 10.415 -5.743 1.00 0.00 H new ATOM 0 HA GLN A 38 8.641 11.818 -7.234 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.774 11.005 -7.846 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.809 11.844 -8.983 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.472 9.862 -8.563 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.069 9.034 -7.917 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.965 7.812 -9.314 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.893 8.063 -11.061 1.00 0.00 H new ATOM 569 N MET A 39 6.129 13.339 -5.827 1.00 0.00 N ATOM 570 CA MET A 39 5.572 14.646 -5.500 1.00 0.00 C ATOM 571 C MET A 39 6.561 15.470 -4.682 1.00 0.00 C ATOM 572 O MET A 39 6.643 16.689 -4.833 1.00 0.00 O ATOM 573 CB MET A 39 4.261 14.487 -4.727 1.00 0.00 C ATOM 574 CG MET A 39 3.034 14.417 -5.621 1.00 0.00 C ATOM 575 SD MET A 39 1.501 14.721 -4.721 1.00 0.00 S ATOM 576 CE MET A 39 0.821 13.066 -4.641 1.00 0.00 C ATOM 0 H MET A 39 5.721 12.564 -5.304 1.00 0.00 H new ATOM 0 HA MET A 39 5.373 15.172 -6.434 1.00 0.00 H new ATOM 0 HB2 MET A 39 4.312 13.581 -4.123 1.00 0.00 H new ATOM 0 HB3 MET A 39 4.151 15.324 -4.038 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.131 15.149 -6.423 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.987 13.434 -6.090 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.260 13.123 -4.517 1.00 0.00 H new ATOM 0 HE2 MET A 39 1.054 12.532 -5.562 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.256 12.535 -3.794 1.00 0.00 H new ATOM 586 N TYR A 40 7.310 14.797 -3.815 1.00 0.00 N ATOM 587 CA TYR A 40 8.292 15.468 -2.971 1.00 0.00 C ATOM 588 C TYR A 40 9.647 14.773 -3.055 1.00 0.00 C ATOM 589 O TYR A 40 10.100 14.122 -2.113 1.00 0.00 O ATOM 590 CB TYR A 40 7.811 15.499 -1.519 1.00 0.00 C ATOM 591 CG TYR A 40 6.462 16.158 -1.342 1.00 0.00 C ATOM 592 CD1 TYR A 40 5.288 15.474 -1.633 1.00 0.00 C ATOM 593 CD2 TYR A 40 6.361 17.465 -0.882 1.00 0.00 C ATOM 594 CE1 TYR A 40 4.054 16.072 -1.474 1.00 0.00 C ATOM 595 CE2 TYR A 40 5.130 18.071 -0.718 1.00 0.00 C ATOM 596 CZ TYR A 40 3.980 17.371 -1.015 1.00 0.00 C ATOM 597 OH TYR A 40 2.752 17.971 -0.854 1.00 0.00 O ATOM 0 H TYR A 40 7.256 13.788 -3.678 1.00 0.00 H new ATOM 0 HA TYR A 40 8.405 16.491 -3.331 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.760 14.478 -1.140 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.547 16.028 -0.913 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.342 14.456 -1.990 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.260 18.017 -0.649 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.152 15.526 -1.708 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.069 19.088 -0.359 1.00 0.00 H new ATOM 0 HH TYR A 40 2.875 18.885 -0.522 1.00 0.00 H new ATOM 607 N PRO A 41 10.313 14.914 -4.211 1.00 0.00 N ATOM 608 CA PRO A 41 11.627 14.309 -4.447 1.00 0.00 C ATOM 609 C PRO A 41 12.726 14.969 -3.621 1.00 0.00 C ATOM 610 O PRO A 41 13.714 14.331 -3.262 1.00 0.00 O ATOM 611 CB PRO A 41 11.864 14.548 -5.940 1.00 0.00 C ATOM 612 CG PRO A 41 11.043 15.747 -6.267 1.00 0.00 C ATOM 613 CD PRO A 41 9.833 15.676 -5.377 1.00 0.00 C ATOM 0 HA PRO A 41 11.649 13.258 -4.161 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.919 14.722 -6.150 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.558 13.686 -6.532 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.604 16.664 -6.090 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.755 15.748 -7.318 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.484 16.669 -5.093 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.000 15.175 -5.870 1.00 0.00 H new ATOM 621 N GLY A 42 12.546 16.252 -3.322 1.00 0.00 N ATOM 622 CA GLY A 42 13.530 16.977 -2.539 1.00 0.00 C ATOM 623 C GLY A 42 13.553 16.540 -1.088 1.00 0.00 C ATOM 624 O GLY A 42 14.569 16.679 -0.406 1.00 0.00 O ATOM 0 H GLY A 42 11.736 16.802 -3.608 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.518 16.829 -2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.316 18.044 -2.590 1.00 0.00 H new ATOM 628 N LYS A 43 12.431 16.011 -0.613 1.00 0.00 N ATOM 629 CA LYS A 43 12.325 15.552 0.767 1.00 0.00 C ATOM 630 C LYS A 43 12.792 14.106 0.896 1.00 0.00 C ATOM 631 O LYS A 43 12.792 13.354 -0.079 1.00 0.00 O ATOM 632 CB LYS A 43 10.881 15.679 1.259 1.00 0.00 C ATOM 633 CG LYS A 43 10.416 17.116 1.413 1.00 0.00 C ATOM 634 CD LYS A 43 8.984 17.188 1.917 1.00 0.00 C ATOM 635 CE LYS A 43 8.384 18.568 1.698 1.00 0.00 C ATOM 636 NZ LYS A 43 8.736 19.507 2.799 1.00 0.00 N ATOM 0 H LYS A 43 11.581 15.889 -1.164 1.00 0.00 H new ATOM 0 HA LYS A 43 12.969 16.180 1.383 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.221 15.165 0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.787 15.171 2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.074 17.640 2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.491 17.628 0.454 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.379 16.441 1.403 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.958 16.943 2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.738 18.972 0.749 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.300 18.485 1.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.308 20.436 2.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.376 19.135 3.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.770 19.606 2.853 1.00 0.00 H new ATOM 650 N ASP A 44 13.187 13.723 2.105 1.00 0.00 N ATOM 651 CA ASP A 44 13.654 12.365 2.363 1.00 0.00 C ATOM 652 C ASP A 44 12.489 11.449 2.723 1.00 0.00 C ATOM 653 O ASP A 44 11.420 11.914 3.117 1.00 0.00 O ATOM 654 CB ASP A 44 14.688 12.364 3.490 1.00 0.00 C ATOM 655 CG ASP A 44 15.943 13.132 3.125 1.00 0.00 C ATOM 656 OD1 ASP A 44 16.537 12.831 2.068 1.00 0.00 O ATOM 657 OD2 ASP A 44 16.331 14.035 3.896 1.00 0.00 O ATOM 0 H ASP A 44 13.193 14.333 2.922 1.00 0.00 H new ATOM 0 HA ASP A 44 14.120 11.988 1.453 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.246 12.801 4.385 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.953 11.336 3.735 1.00 0.00 H new ATOM 662 N ASN A 45 12.704 10.145 2.585 1.00 0.00 N ATOM 663 CA ASN A 45 11.670 9.163 2.895 1.00 0.00 C ATOM 664 C ASN A 45 11.110 9.387 4.296 1.00 0.00 C ATOM 665 O ASN A 45 9.905 9.272 4.519 1.00 0.00 O ATOM 666 CB ASN A 45 12.234 7.745 2.779 1.00 0.00 C ATOM 667 CG ASN A 45 13.611 7.618 3.400 1.00 0.00 C ATOM 668 OD1 ASN A 45 13.743 7.432 4.610 1.00 0.00 O ATOM 669 ND2 ASN A 45 14.645 7.717 2.573 1.00 0.00 N ATOM 0 H ASN A 45 13.584 9.743 2.261 1.00 0.00 H new ATOM 0 HA ASN A 45 10.860 9.285 2.176 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.554 7.045 3.265 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.285 7.462 1.728 1.00 0.00 H new ATOM 0 HD21 ASN A 45 15.596 7.639 2.934 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.488 7.871 1.577 1.00 0.00 H new ATOM 676 N ARG A 46 11.993 9.707 5.236 1.00 0.00 N ATOM 677 CA ARG A 46 11.587 9.946 6.616 1.00 0.00 C ATOM 678 C ARG A 46 10.547 11.060 6.691 1.00 0.00 C ATOM 679 O ARG A 46 9.672 11.049 7.557 1.00 0.00 O ATOM 680 CB ARG A 46 12.802 10.310 7.472 1.00 0.00 C ATOM 681 CG ARG A 46 12.484 10.453 8.951 1.00 0.00 C ATOM 682 CD ARG A 46 12.550 9.113 9.667 1.00 0.00 C ATOM 683 NE ARG A 46 13.923 8.638 9.814 1.00 0.00 N ATOM 684 CZ ARG A 46 14.796 9.167 10.663 1.00 0.00 C ATOM 685 NH1 ARG A 46 14.441 10.184 11.437 1.00 0.00 N ATOM 686 NH2 ARG A 46 16.028 8.680 10.740 1.00 0.00 N ATOM 0 H ARG A 46 12.994 9.807 5.067 1.00 0.00 H new ATOM 0 HA ARG A 46 11.141 9.029 7.001 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.567 9.544 7.346 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.225 11.246 7.108 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.188 11.147 9.410 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.489 10.882 9.071 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.091 9.205 10.651 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.969 8.376 9.112 1.00 0.00 H new ATOM 0 HE ARG A 46 14.228 7.857 9.233 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.495 10.562 11.381 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.114 10.588 12.088 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.305 7.898 10.146 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.698 9.087 11.393 1.00 0.00 H new ATOM 700 N ALA A 47 10.649 12.021 5.778 1.00 0.00 N ATOM 701 CA ALA A 47 9.716 13.140 5.740 1.00 0.00 C ATOM 702 C ALA A 47 8.397 12.734 5.093 1.00 0.00 C ATOM 703 O ALA A 47 7.323 13.116 5.559 1.00 0.00 O ATOM 704 CB ALA A 47 10.333 14.315 4.995 1.00 0.00 C ATOM 0 H ALA A 47 11.368 12.047 5.055 1.00 0.00 H new ATOM 0 HA ALA A 47 9.508 13.443 6.766 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.626 15.144 4.974 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.245 14.629 5.502 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.570 14.015 3.974 1.00 0.00 H new ATOM 710 N ILE A 48 8.485 11.960 4.017 1.00 0.00 N ATOM 711 CA ILE A 48 7.297 11.502 3.306 1.00 0.00 C ATOM 712 C ILE A 48 6.301 10.853 4.261 1.00 0.00 C ATOM 713 O ILE A 48 5.110 11.163 4.236 1.00 0.00 O ATOM 714 CB ILE A 48 7.658 10.497 2.196 1.00 0.00 C ATOM 715 CG1 ILE A 48 8.633 11.130 1.201 1.00 0.00 C ATOM 716 CG2 ILE A 48 6.400 10.021 1.485 1.00 0.00 C ATOM 717 CD1 ILE A 48 8.080 12.357 0.511 1.00 0.00 C ATOM 0 H ILE A 48 9.366 11.637 3.618 1.00 0.00 H new ATOM 0 HA ILE A 48 6.841 12.382 2.853 1.00 0.00 H new ATOM 0 HB ILE A 48 8.144 9.634 2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.550 11.400 1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.902 10.390 0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.670 9.311 0.703 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.738 9.536 2.202 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.889 10.874 1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.825 12.753 -0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.179 12.089 -0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.837 13.115 1.256 1.00 0.00 H new ATOM 729 N SER A 49 6.798 9.953 5.103 1.00 0.00 N ATOM 730 CA SER A 49 5.951 9.258 6.066 1.00 0.00 C ATOM 731 C SER A 49 5.237 10.251 6.977 1.00 0.00 C ATOM 732 O SER A 49 4.025 10.167 7.177 1.00 0.00 O ATOM 733 CB SER A 49 6.786 8.288 6.905 1.00 0.00 C ATOM 734 OG SER A 49 8.124 8.740 7.025 1.00 0.00 O ATOM 0 H SER A 49 7.782 9.688 5.138 1.00 0.00 H new ATOM 0 HA SER A 49 5.200 8.695 5.512 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.343 8.185 7.896 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.772 7.300 6.445 1.00 0.00 H new ATOM 0 HG SER A 49 8.128 9.694 7.250 1.00 0.00 H new ATOM 740 N VAL A 50 5.997 11.192 7.528 1.00 0.00 N ATOM 741 CA VAL A 50 5.438 12.203 8.417 1.00 0.00 C ATOM 742 C VAL A 50 4.279 12.939 7.754 1.00 0.00 C ATOM 743 O VAL A 50 3.206 13.084 8.340 1.00 0.00 O ATOM 744 CB VAL A 50 6.505 13.228 8.843 1.00 0.00 C ATOM 745 CG1 VAL A 50 5.896 14.290 9.746 1.00 0.00 C ATOM 746 CG2 VAL A 50 7.667 12.531 9.535 1.00 0.00 C ATOM 0 H VAL A 50 7.002 11.275 7.374 1.00 0.00 H new ATOM 0 HA VAL A 50 5.074 11.679 9.301 1.00 0.00 H new ATOM 0 HB VAL A 50 6.887 13.721 7.949 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.665 15.005 10.037 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.101 14.810 9.212 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.485 13.817 10.638 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.412 13.271 9.829 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.303 12.010 10.421 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.120 11.813 8.851 1.00 0.00 H new ATOM 756 N ILE A 51 4.502 13.400 6.528 1.00 0.00 N ATOM 757 CA ILE A 51 3.476 14.119 5.784 1.00 0.00 C ATOM 758 C ILE A 51 2.310 13.202 5.430 1.00 0.00 C ATOM 759 O ILE A 51 1.180 13.658 5.247 1.00 0.00 O ATOM 760 CB ILE A 51 4.043 14.731 4.490 1.00 0.00 C ATOM 761 CG1 ILE A 51 5.196 15.685 4.814 1.00 0.00 C ATOM 762 CG2 ILE A 51 2.948 15.457 3.722 1.00 0.00 C ATOM 763 CD1 ILE A 51 6.088 15.979 3.628 1.00 0.00 C ATOM 0 H ILE A 51 5.385 13.288 6.029 1.00 0.00 H new ATOM 0 HA ILE A 51 3.122 14.922 6.431 1.00 0.00 H new ATOM 0 HB ILE A 51 4.427 13.926 3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.787 16.622 5.192 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.799 15.255 5.614 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.365 15.884 2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.157 14.753 3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.537 16.255 4.341 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.883 16.661 3.931 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.526 15.050 3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.499 16.438 2.834 1.00 0.00 H new ATOM 775 N LEU A 52 2.590 11.907 5.335 1.00 0.00 N ATOM 776 CA LEU A 52 1.564 10.924 5.005 1.00 0.00 C ATOM 777 C LEU A 52 0.621 10.704 6.184 1.00 0.00 C ATOM 778 O LEU A 52 -0.596 10.644 6.016 1.00 0.00 O ATOM 779 CB LEU A 52 2.211 9.599 4.600 1.00 0.00 C ATOM 780 CG LEU A 52 2.569 9.451 3.121 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.478 8.251 2.909 1.00 0.00 C ATOM 782 CD2 LEU A 52 1.309 9.324 2.277 1.00 0.00 C ATOM 0 H LEU A 52 3.519 11.513 5.482 1.00 0.00 H new ATOM 0 HA LEU A 52 0.983 11.309 4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.119 9.467 5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.534 8.789 4.872 1.00 0.00 H new ATOM 0 HG LEU A 52 3.105 10.346 2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.722 8.162 1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.395 8.383 3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.969 7.346 3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.583 9.220 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.746 8.446 2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.694 10.215 2.404 1.00 0.00 H new ATOM 794 N GLY A 53 1.194 10.585 7.379 1.00 0.00 N ATOM 795 CA GLY A 53 0.390 10.374 8.568 1.00 0.00 C ATOM 796 C GLY A 53 -0.643 11.465 8.771 1.00 0.00 C ATOM 797 O GLY A 53 -1.799 11.184 9.088 1.00 0.00 O ATOM 0 H GLY A 53 2.200 10.631 7.544 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.114 9.410 8.496 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.042 10.328 9.440 1.00 0.00 H new ATOM 801 N ASP A 54 -0.226 12.713 8.590 1.00 0.00 N ATOM 802 CA ASP A 54 -1.123 13.851 8.755 1.00 0.00 C ATOM 803 C ASP A 54 -2.395 13.663 7.935 1.00 0.00 C ATOM 804 O ASP A 54 -3.504 13.809 8.449 1.00 0.00 O ATOM 805 CB ASP A 54 -0.421 15.146 8.342 1.00 0.00 C ATOM 806 CG ASP A 54 -1.034 16.370 8.993 1.00 0.00 C ATOM 807 OD1 ASP A 54 -1.127 16.396 10.239 1.00 0.00 O ATOM 808 OD2 ASP A 54 -1.420 17.302 8.258 1.00 0.00 O ATOM 0 H ASP A 54 0.728 12.963 8.329 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.397 13.916 9.808 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.634 15.085 8.610 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.469 15.252 7.258 1.00 0.00 H new ATOM 813 N ARG A 55 -2.227 13.340 6.656 1.00 0.00 N ATOM 814 CA ARG A 55 -3.362 13.135 5.764 1.00 0.00 C ATOM 815 C ARG A 55 -4.258 12.010 6.275 1.00 0.00 C ATOM 816 O ARG A 55 -5.476 12.047 6.100 1.00 0.00 O ATOM 817 CB ARG A 55 -2.874 12.811 4.351 1.00 0.00 C ATOM 818 CG ARG A 55 -2.237 13.995 3.641 1.00 0.00 C ATOM 819 CD ARG A 55 -2.769 14.147 2.225 1.00 0.00 C ATOM 820 NE ARG A 55 -1.962 15.073 1.434 1.00 0.00 N ATOM 821 CZ ARG A 55 -1.986 16.391 1.596 1.00 0.00 C ATOM 822 NH1 ARG A 55 -2.771 16.936 2.515 1.00 0.00 N ATOM 823 NH2 ARG A 55 -1.223 17.168 0.837 1.00 0.00 N ATOM 0 H ARG A 55 -1.316 13.215 6.215 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.944 14.056 5.738 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.151 11.997 4.403 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.715 12.452 3.758 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -2.433 14.907 4.204 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.155 13.865 3.612 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.785 13.172 1.737 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.799 14.503 2.261 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.347 14.686 0.718 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.359 16.343 3.100 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.787 17.949 2.637 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.618 16.753 0.129 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.242 18.180 0.962 1.00 0.00 H new ATOM 837 N TRP A 56 -3.647 11.013 6.904 1.00 0.00 N ATOM 838 CA TRP A 56 -4.389 9.878 7.439 1.00 0.00 C ATOM 839 C TRP A 56 -5.189 10.283 8.673 1.00 0.00 C ATOM 840 O TRP A 56 -6.203 9.665 8.998 1.00 0.00 O ATOM 841 CB TRP A 56 -3.434 8.736 7.788 1.00 0.00 C ATOM 842 CG TRP A 56 -4.104 7.594 8.490 1.00 0.00 C ATOM 843 CD1 TRP A 56 -4.246 7.432 9.839 1.00 0.00 C ATOM 844 CD2 TRP A 56 -4.720 6.455 7.880 1.00 0.00 C ATOM 845 NE1 TRP A 56 -4.914 6.260 10.104 1.00 0.00 N ATOM 846 CE2 TRP A 56 -5.217 5.643 8.919 1.00 0.00 C ATOM 847 CE3 TRP A 56 -4.903 6.043 6.557 1.00 0.00 C ATOM 848 CZ2 TRP A 56 -5.882 4.445 8.673 1.00 0.00 C ATOM 849 CZ3 TRP A 56 -5.563 4.853 6.315 1.00 0.00 C ATOM 850 CH2 TRP A 56 -6.047 4.066 7.369 1.00 0.00 C ATOM 0 H TRP A 56 -2.639 10.968 7.056 1.00 0.00 H new ATOM 0 HA TRP A 56 -5.086 9.538 6.673 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -2.969 8.368 6.873 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.633 9.122 8.419 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.886 8.123 10.587 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.146 5.907 11.032 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.535 6.644 5.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.255 3.836 9.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.708 4.524 5.297 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.560 3.142 7.147 1.00 0.00 H new ATOM 861 N LYS A 57 -4.726 11.324 9.357 1.00 0.00 N ATOM 862 CA LYS A 57 -5.399 11.813 10.555 1.00 0.00 C ATOM 863 C LYS A 57 -6.470 12.838 10.197 1.00 0.00 C ATOM 864 O LYS A 57 -7.480 12.963 10.890 1.00 0.00 O ATOM 865 CB LYS A 57 -4.384 12.435 11.516 1.00 0.00 C ATOM 866 CG LYS A 57 -3.258 11.492 11.906 1.00 0.00 C ATOM 867 CD LYS A 57 -2.011 12.254 12.320 1.00 0.00 C ATOM 868 CE LYS A 57 -2.265 13.112 13.551 1.00 0.00 C ATOM 869 NZ LYS A 57 -2.722 12.297 14.710 1.00 0.00 N ATOM 0 H LYS A 57 -3.887 11.845 9.102 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.881 10.966 11.043 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.957 13.325 11.054 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.902 12.761 12.418 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.585 10.854 12.727 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.024 10.837 11.067 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.205 11.550 12.526 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.679 12.886 11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.351 13.643 13.818 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.016 13.867 13.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.657 12.863 15.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.709 12.004 14.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.120 11.454 14.800 1.00 0.00 H new ATOM 883 N LYS A 58 -6.244 13.568 9.110 1.00 0.00 N ATOM 884 CA LYS A 58 -7.191 14.581 8.658 1.00 0.00 C ATOM 885 C LYS A 58 -8.416 13.934 8.020 1.00 0.00 C ATOM 886 O LYS A 58 -9.509 14.498 8.041 1.00 0.00 O ATOM 887 CB LYS A 58 -6.520 15.525 7.658 1.00 0.00 C ATOM 888 CG LYS A 58 -6.284 16.922 8.205 1.00 0.00 C ATOM 889 CD LYS A 58 -4.814 17.164 8.501 1.00 0.00 C ATOM 890 CE LYS A 58 -4.440 16.684 9.895 1.00 0.00 C ATOM 891 NZ LYS A 58 -4.316 17.815 10.857 1.00 0.00 N ATOM 0 H LYS A 58 -5.413 13.477 8.525 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.516 15.153 9.527 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.565 15.098 7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.140 15.594 6.764 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.637 17.660 7.485 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.867 17.060 9.116 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.203 16.647 7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.594 18.228 8.410 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.195 15.984 10.253 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.497 16.140 9.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.060 17.446 11.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.578 18.470 10.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.224 18.319 10.919 1.00 0.00 H new ATOM 905 N MET A 59 -8.225 12.747 7.453 1.00 0.00 N ATOM 906 CA MET A 59 -9.316 12.022 6.811 1.00 0.00 C ATOM 907 C MET A 59 -10.427 11.716 7.810 1.00 0.00 C ATOM 908 O MET A 59 -10.304 12.007 9.000 1.00 0.00 O ATOM 909 CB MET A 59 -8.798 10.723 6.192 1.00 0.00 C ATOM 910 CG MET A 59 -8.317 10.882 4.759 1.00 0.00 C ATOM 911 SD MET A 59 -8.072 9.300 3.928 1.00 0.00 S ATOM 912 CE MET A 59 -6.737 8.609 4.902 1.00 0.00 C ATOM 0 H MET A 59 -7.325 12.267 7.425 1.00 0.00 H new ATOM 0 HA MET A 59 -9.725 12.654 6.022 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.979 10.341 6.801 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.591 9.976 6.220 1.00 0.00 H new ATOM 0 HG2 MET A 59 -9.042 11.473 4.200 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.380 11.439 4.754 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.519 7.599 4.556 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.848 9.230 4.793 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.031 8.577 5.951 1.00 0.00 H new ATOM 922 N LYS A 60 -11.512 11.127 7.319 1.00 0.00 N ATOM 923 CA LYS A 60 -12.645 10.780 8.168 1.00 0.00 C ATOM 924 C LYS A 60 -12.637 9.292 8.506 1.00 0.00 C ATOM 925 O LYS A 60 -11.684 8.580 8.191 1.00 0.00 O ATOM 926 CB LYS A 60 -13.959 11.149 7.476 1.00 0.00 C ATOM 927 CG LYS A 60 -14.047 12.612 7.078 1.00 0.00 C ATOM 928 CD LYS A 60 -14.720 13.444 8.157 1.00 0.00 C ATOM 929 CE LYS A 60 -15.406 14.668 7.570 1.00 0.00 C ATOM 930 NZ LYS A 60 -16.460 15.201 8.477 1.00 0.00 N ATOM 0 H LYS A 60 -11.630 10.880 6.337 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.558 11.346 9.096 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.077 10.531 6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.789 10.912 8.141 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.046 13.000 6.890 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.605 12.704 6.146 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.452 12.833 8.685 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.978 13.758 8.891 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.664 15.444 7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.851 14.409 6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.904 16.035 8.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.181 14.469 8.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.032 15.472 9.385 1.00 0.00 H new ATOM 944 N ASN A 61 -13.705 8.829 9.147 1.00 0.00 N ATOM 945 CA ASN A 61 -13.820 7.426 9.526 1.00 0.00 C ATOM 946 C ASN A 61 -13.975 6.540 8.294 1.00 0.00 C ATOM 947 O ASN A 61 -13.255 5.556 8.131 1.00 0.00 O ATOM 948 CB ASN A 61 -15.012 7.226 10.465 1.00 0.00 C ATOM 949 CG ASN A 61 -15.067 5.823 11.038 1.00 0.00 C ATOM 950 OD1 ASN A 61 -14.068 5.103 11.046 1.00 0.00 O ATOM 951 ND2 ASN A 61 -16.239 5.427 11.520 1.00 0.00 N ATOM 0 H ASN A 61 -14.503 9.405 9.415 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.905 7.140 10.044 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -14.954 7.947 11.281 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.936 7.431 9.924 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -16.338 4.493 11.917 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -17.041 6.057 11.493 1.00 0.00 H new ATOM 958 N GLU A 62 -14.919 6.898 7.429 1.00 0.00 N ATOM 959 CA GLU A 62 -15.168 6.136 6.212 1.00 0.00 C ATOM 960 C GLU A 62 -13.981 6.230 5.258 1.00 0.00 C ATOM 961 O GLU A 62 -13.625 5.255 4.596 1.00 0.00 O ATOM 962 CB GLU A 62 -16.435 6.640 5.517 1.00 0.00 C ATOM 963 CG GLU A 62 -16.377 8.111 5.138 1.00 0.00 C ATOM 964 CD GLU A 62 -17.699 8.629 4.608 1.00 0.00 C ATOM 965 OE1 GLU A 62 -18.624 8.836 5.422 1.00 0.00 O ATOM 966 OE2 GLU A 62 -17.810 8.828 3.381 1.00 0.00 O ATOM 0 H GLU A 62 -15.523 7.711 7.549 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.306 5.091 6.491 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.606 6.048 4.618 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.289 6.476 6.174 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.085 8.696 6.010 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.605 8.258 4.383 1.00 0.00 H new ATOM 973 N GLU A 63 -13.372 7.410 5.194 1.00 0.00 N ATOM 974 CA GLU A 63 -12.226 7.632 4.321 1.00 0.00 C ATOM 975 C GLU A 63 -11.116 6.626 4.614 1.00 0.00 C ATOM 976 O GLU A 63 -10.303 6.312 3.745 1.00 0.00 O ATOM 977 CB GLU A 63 -11.695 9.057 4.491 1.00 0.00 C ATOM 978 CG GLU A 63 -12.735 10.130 4.215 1.00 0.00 C ATOM 979 CD GLU A 63 -13.060 10.262 2.739 1.00 0.00 C ATOM 980 OE1 GLU A 63 -12.160 10.653 1.967 1.00 0.00 O ATOM 981 OE2 GLU A 63 -14.214 9.974 2.358 1.00 0.00 O ATOM 0 H GLU A 63 -13.653 8.227 5.736 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.555 7.495 3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.321 9.178 5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.848 9.203 3.821 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.647 9.897 4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.373 11.087 4.590 1.00 0.00 H new ATOM 988 N ARG A 64 -11.090 6.125 5.845 1.00 0.00 N ATOM 989 CA ARG A 64 -10.080 5.157 6.254 1.00 0.00 C ATOM 990 C ARG A 64 -10.635 3.736 6.199 1.00 0.00 C ATOM 991 O ARG A 64 -9.885 2.772 6.045 1.00 0.00 O ATOM 992 CB ARG A 64 -9.586 5.469 7.668 1.00 0.00 C ATOM 993 CG ARG A 64 -8.890 6.815 7.787 1.00 0.00 C ATOM 994 CD ARG A 64 -8.609 7.170 9.238 1.00 0.00 C ATOM 995 NE ARG A 64 -8.700 8.608 9.477 1.00 0.00 N ATOM 996 CZ ARG A 64 -8.745 9.151 10.689 1.00 0.00 C ATOM 997 NH1 ARG A 64 -8.708 8.379 11.766 1.00 0.00 N ATOM 998 NH2 ARG A 64 -8.827 10.468 10.824 1.00 0.00 N ATOM 0 H ARG A 64 -11.757 6.374 6.576 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.242 5.229 5.560 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.433 5.446 8.353 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.899 4.685 7.985 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.954 6.792 7.229 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.512 7.588 7.336 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.318 6.650 9.882 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.614 6.819 9.511 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.731 9.230 8.669 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.645 7.366 11.665 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.743 8.798 12.695 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.856 11.065 9.997 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.862 10.884 11.755 1.00 0.00 H new ATOM 1012 N ARG A 65 -11.952 3.616 6.328 1.00 0.00 N ATOM 1013 CA ARG A 65 -12.607 2.314 6.295 1.00 0.00 C ATOM 1014 C ARG A 65 -12.188 1.525 5.058 1.00 0.00 C ATOM 1015 O ARG A 65 -11.993 0.312 5.120 1.00 0.00 O ATOM 1016 CB ARG A 65 -14.127 2.483 6.314 1.00 0.00 C ATOM 1017 CG ARG A 65 -14.874 1.232 6.746 1.00 0.00 C ATOM 1018 CD ARG A 65 -16.379 1.407 6.611 1.00 0.00 C ATOM 1019 NE ARG A 65 -17.101 0.171 6.897 1.00 0.00 N ATOM 1020 CZ ARG A 65 -18.365 -0.041 6.545 1.00 0.00 C ATOM 1021 NH1 ARG A 65 -19.041 0.897 5.896 1.00 0.00 N ATOM 1022 NH2 ARG A 65 -18.953 -1.192 6.842 1.00 0.00 N ATOM 0 H ARG A 65 -12.586 4.404 6.456 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.299 1.758 7.181 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.385 3.300 6.987 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.464 2.772 5.319 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.549 0.386 6.141 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.625 0.998 7.781 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.716 2.189 7.291 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.616 1.740 5.601 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.608 -0.571 7.394 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.591 1.783 5.666 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -20.011 0.733 5.627 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.435 -1.915 7.341 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -19.923 -1.354 6.572 1.00 0.00 H new ATOM 1036 N MET A 66 -12.052 2.224 3.935 1.00 0.00 N ATOM 1037 CA MET A 66 -11.655 1.589 2.684 1.00 0.00 C ATOM 1038 C MET A 66 -10.387 0.763 2.871 1.00 0.00 C ATOM 1039 O MET A 66 -10.198 -0.261 2.213 1.00 0.00 O ATOM 1040 CB MET A 66 -11.435 2.645 1.599 1.00 0.00 C ATOM 1041 CG MET A 66 -10.373 3.672 1.957 1.00 0.00 C ATOM 1042 SD MET A 66 -10.417 5.120 0.884 1.00 0.00 S ATOM 1043 CE MET A 66 -12.036 5.780 1.272 1.00 0.00 C ATOM 0 H MET A 66 -12.211 3.229 3.866 1.00 0.00 H new ATOM 0 HA MET A 66 -12.459 0.921 2.374 1.00 0.00 H new ATOM 0 HB2 MET A 66 -11.150 2.148 0.672 1.00 0.00 H new ATOM 0 HB3 MET A 66 -12.377 3.160 1.408 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.512 3.987 2.991 1.00 0.00 H new ATOM 0 HG3 MET A 66 -9.389 3.208 1.894 1.00 0.00 H new ATOM 0 HE1 MET A 66 -12.003 6.869 1.236 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.762 5.415 0.545 1.00 0.00 H new ATOM 0 HE3 MET A 66 -12.330 5.459 2.271 1.00 0.00 H new ATOM 1053 N TYR A 67 -9.520 1.214 3.771 1.00 0.00 N ATOM 1054 CA TYR A 67 -8.268 0.518 4.043 1.00 0.00 C ATOM 1055 C TYR A 67 -8.410 -0.407 5.248 1.00 0.00 C ATOM 1056 O TYR A 67 -7.840 -1.499 5.279 1.00 0.00 O ATOM 1057 CB TYR A 67 -7.143 1.525 4.288 1.00 0.00 C ATOM 1058 CG TYR A 67 -7.089 2.634 3.262 1.00 0.00 C ATOM 1059 CD1 TYR A 67 -6.574 2.406 1.991 1.00 0.00 C ATOM 1060 CD2 TYR A 67 -7.552 3.909 3.562 1.00 0.00 C ATOM 1061 CE1 TYR A 67 -6.522 3.417 1.050 1.00 0.00 C ATOM 1062 CE2 TYR A 67 -7.505 4.924 2.627 1.00 0.00 C ATOM 1063 CZ TYR A 67 -6.989 4.674 1.373 1.00 0.00 C ATOM 1064 OH TYR A 67 -6.939 5.683 0.439 1.00 0.00 O ATOM 0 H TYR A 67 -9.661 2.059 4.325 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.021 -0.087 3.171 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.268 1.963 5.278 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.189 0.998 4.291 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.208 1.423 1.735 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.956 4.110 4.543 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.118 3.224 0.067 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.871 5.909 2.877 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.850 5.937 0.183 1.00 0.00 H new ATOM 1074 N THR A 68 -9.174 0.038 6.241 1.00 0.00 N ATOM 1075 CA THR A 68 -9.391 -0.748 7.449 1.00 0.00 C ATOM 1076 C THR A 68 -9.904 -2.143 7.113 1.00 0.00 C ATOM 1077 O THR A 68 -9.351 -3.145 7.569 1.00 0.00 O ATOM 1078 CB THR A 68 -10.393 -0.059 8.394 1.00 0.00 C ATOM 1079 OG1 THR A 68 -10.309 1.363 8.246 1.00 0.00 O ATOM 1080 CG2 THR A 68 -10.122 -0.440 9.842 1.00 0.00 C ATOM 0 H THR A 68 -9.653 0.939 6.232 1.00 0.00 H new ATOM 0 HA THR A 68 -8.427 -0.830 7.950 1.00 0.00 H new ATOM 0 HB THR A 68 -11.396 -0.393 8.129 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.951 1.793 8.849 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.842 0.059 10.490 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.216 -1.520 9.958 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.113 -0.132 10.116 1.00 0.00 H new ATOM 1088 N LEU A 69 -10.962 -2.203 6.312 1.00 0.00 N ATOM 1089 CA LEU A 69 -11.550 -3.477 5.914 1.00 0.00 C ATOM 1090 C LEU A 69 -10.627 -4.227 4.958 1.00 0.00 C ATOM 1091 O LEU A 69 -10.368 -5.416 5.136 1.00 0.00 O ATOM 1092 CB LEU A 69 -12.911 -3.250 5.254 1.00 0.00 C ATOM 1093 CG LEU A 69 -14.107 -3.144 6.201 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -14.381 -4.484 6.866 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -13.864 -2.066 7.248 1.00 0.00 C ATOM 0 H LEU A 69 -11.430 -1.384 5.925 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.685 -4.082 6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.858 -2.335 4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.096 -4.068 4.558 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.985 -2.865 5.618 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.235 -4.390 7.536 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.599 -5.231 6.103 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.505 -4.793 7.436 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.725 -2.004 7.913 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.975 -2.315 7.827 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.718 -1.105 6.754 1.00 0.00 H new ATOM 1107 N GLU A 70 -10.133 -3.521 3.945 1.00 0.00 N ATOM 1108 CA GLU A 70 -9.238 -4.121 2.962 1.00 0.00 C ATOM 1109 C GLU A 70 -8.070 -4.823 3.648 1.00 0.00 C ATOM 1110 O GLU A 70 -7.850 -6.018 3.453 1.00 0.00 O ATOM 1111 CB GLU A 70 -8.713 -3.053 2.000 1.00 0.00 C ATOM 1112 CG GLU A 70 -8.055 -3.626 0.756 1.00 0.00 C ATOM 1113 CD GLU A 70 -9.052 -4.278 -0.183 1.00 0.00 C ATOM 1114 OE1 GLU A 70 -10.017 -3.597 -0.589 1.00 0.00 O ATOM 1115 OE2 GLU A 70 -8.867 -5.468 -0.511 1.00 0.00 O ATOM 0 H GLU A 70 -10.337 -2.535 3.784 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.803 -4.862 2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.539 -2.408 1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.993 -2.425 2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.530 -2.830 0.227 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.306 -4.360 1.051 1.00 0.00 H new ATOM 1122 N ALA A 71 -7.323 -4.071 4.450 1.00 0.00 N ATOM 1123 CA ALA A 71 -6.178 -4.620 5.165 1.00 0.00 C ATOM 1124 C ALA A 71 -6.565 -5.877 5.938 1.00 0.00 C ATOM 1125 O ALA A 71 -5.806 -6.845 5.990 1.00 0.00 O ATOM 1126 CB ALA A 71 -5.594 -3.578 6.107 1.00 0.00 C ATOM 0 H ALA A 71 -7.491 -3.079 4.621 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.421 -4.895 4.431 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.740 -4.002 6.634 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.271 -2.709 5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.352 -3.275 6.829 1.00 0.00 H new ATOM 1132 N LYS A 72 -7.750 -5.855 6.538 1.00 0.00 N ATOM 1133 CA LYS A 72 -8.239 -6.992 7.308 1.00 0.00 C ATOM 1134 C LYS A 72 -8.345 -8.237 6.433 1.00 0.00 C ATOM 1135 O LYS A 72 -7.736 -9.266 6.726 1.00 0.00 O ATOM 1136 CB LYS A 72 -9.604 -6.670 7.922 1.00 0.00 C ATOM 1137 CG LYS A 72 -9.915 -7.476 9.171 1.00 0.00 C ATOM 1138 CD LYS A 72 -10.912 -6.757 10.064 1.00 0.00 C ATOM 1139 CE LYS A 72 -12.341 -6.967 9.586 1.00 0.00 C ATOM 1140 NZ LYS A 72 -12.749 -8.397 9.669 1.00 0.00 N ATOM 0 H LYS A 72 -8.390 -5.061 6.506 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.525 -7.191 8.108 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.642 -5.608 8.166 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.380 -6.854 7.179 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.315 -8.449 8.887 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.995 -7.659 9.725 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.813 -7.119 11.087 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.685 -5.691 10.080 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.018 -6.361 10.188 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.434 -6.622 8.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.784 -8.458 9.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.441 -8.896 8.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.307 -8.836 10.502 1.00 0.00 H new