USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 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 Set 1.1: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 67 TYR OH : rot 110:sc= 0.0589 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00337) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -30:sc= -0.985 USER MOD Single : A 37 THR OG1 : rot 60:sc= 0.498 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 149:sc= -1.41 (180deg=-2.78!) USER MOD Single : A 45 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.25) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 170:sc= -1.79 (180deg=-2.49) 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 141:sc= -0.28 (180deg=-3.89!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.88 USER MOD Single : A 72 LYS NZ :NH3+ 166:sc= -0.0689 (180deg=-0.319) USER MOD ----------------------------------------------------------------- ATOM 287 N ASN A 23 -0.900 -3.458 8.143 1.00 0.00 N ATOM 288 CA ASN A 23 -2.077 -2.825 8.726 1.00 0.00 C ATOM 289 C ASN A 23 -2.764 -1.914 7.713 1.00 0.00 C ATOM 290 O ASN A 23 -2.288 -1.747 6.591 1.00 0.00 O ATOM 291 CB ASN A 23 -1.687 -2.022 9.969 1.00 0.00 C ATOM 292 CG ASN A 23 -0.759 -2.793 10.887 1.00 0.00 C ATOM 293 OD1 ASN A 23 -1.191 -3.680 11.624 1.00 0.00 O ATOM 294 ND2 ASN A 23 0.526 -2.458 10.847 1.00 0.00 N ATOM 0 HA ASN A 23 -2.776 -3.611 9.013 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.203 -1.095 9.662 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.588 -1.745 10.517 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.198 -2.942 11.442 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.841 -1.717 10.221 1.00 0.00 H new ATOM 301 N ALA A 24 -3.884 -1.325 8.119 1.00 0.00 N ATOM 302 CA ALA A 24 -4.635 -0.429 7.249 1.00 0.00 C ATOM 303 C ALA A 24 -3.782 0.760 6.818 1.00 0.00 C ATOM 304 O ALA A 24 -3.886 1.234 5.687 1.00 0.00 O ATOM 305 CB ALA A 24 -5.898 0.051 7.948 1.00 0.00 C ATOM 0 H ALA A 24 -4.291 -1.452 9.045 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.917 -0.984 6.354 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.449 0.719 7.286 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.523 -0.806 8.200 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.629 0.584 8.860 1.00 0.00 H new ATOM 311 N PHE A 25 -2.940 1.238 7.728 1.00 0.00 N ATOM 312 CA PHE A 25 -2.070 2.373 7.443 1.00 0.00 C ATOM 313 C PHE A 25 -1.066 2.027 6.347 1.00 0.00 C ATOM 314 O PHE A 25 -0.806 2.832 5.453 1.00 0.00 O ATOM 315 CB PHE A 25 -1.330 2.807 8.710 1.00 0.00 C ATOM 316 CG PHE A 25 -0.323 3.896 8.474 1.00 0.00 C ATOM 317 CD1 PHE A 25 -0.736 5.196 8.225 1.00 0.00 C ATOM 318 CD2 PHE A 25 1.034 3.622 8.500 1.00 0.00 C ATOM 319 CE1 PHE A 25 0.188 6.200 8.006 1.00 0.00 C ATOM 320 CE2 PHE A 25 1.963 4.622 8.283 1.00 0.00 C ATOM 321 CZ PHE A 25 1.539 5.913 8.036 1.00 0.00 C ATOM 0 H PHE A 25 -2.842 0.857 8.669 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.692 3.197 7.094 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.057 3.149 9.446 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.824 1.942 9.140 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.791 5.426 8.202 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.371 2.614 8.692 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.146 7.209 7.811 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.018 4.394 8.307 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.262 6.697 7.867 1.00 0.00 H new ATOM 331 N MET A 26 -0.504 0.825 6.425 1.00 0.00 N ATOM 332 CA MET A 26 0.471 0.372 5.440 1.00 0.00 C ATOM 333 C MET A 26 -0.068 0.543 4.024 1.00 0.00 C ATOM 334 O MET A 26 0.622 1.059 3.144 1.00 0.00 O ATOM 335 CB MET A 26 0.834 -1.093 5.687 1.00 0.00 C ATOM 336 CG MET A 26 1.797 -1.294 6.845 1.00 0.00 C ATOM 337 SD MET A 26 3.384 -1.970 6.320 1.00 0.00 S ATOM 338 CE MET A 26 4.144 -2.319 7.904 1.00 0.00 C ATOM 0 H MET A 26 -0.707 0.148 7.160 1.00 0.00 H new ATOM 0 HA MET A 26 1.367 0.983 5.545 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.078 -1.657 5.882 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.277 -1.507 4.781 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.961 -0.340 7.346 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.345 -1.964 7.576 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.135 -2.744 7.746 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.232 -1.396 8.477 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.528 -3.030 8.454 1.00 0.00 H new ATOM 348 N LEU A 27 -1.305 0.107 3.809 1.00 0.00 N ATOM 349 CA LEU A 27 -1.936 0.212 2.498 1.00 0.00 C ATOM 350 C LEU A 27 -2.013 1.666 2.045 1.00 0.00 C ATOM 351 O LEU A 27 -2.037 1.954 0.849 1.00 0.00 O ATOM 352 CB LEU A 27 -3.339 -0.397 2.537 1.00 0.00 C ATOM 353 CG LEU A 27 -3.767 -1.176 1.293 1.00 0.00 C ATOM 354 CD1 LEU A 27 -2.816 -2.335 1.036 1.00 0.00 C ATOM 355 CD2 LEU A 27 -5.195 -1.679 1.443 1.00 0.00 C ATOM 0 H LEU A 27 -1.890 -0.322 4.526 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.326 -0.339 1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.400 -1.063 3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.057 0.406 2.704 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.728 -0.504 0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.136 -2.878 0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.807 -1.951 0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.822 -3.008 1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.482 -2.231 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.260 -2.335 2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.867 -0.831 1.578 1.00 0.00 H new ATOM 367 N PHE A 28 -2.050 2.580 3.010 1.00 0.00 N ATOM 368 CA PHE A 28 -2.122 4.005 2.710 1.00 0.00 C ATOM 369 C PHE A 28 -0.733 4.574 2.432 1.00 0.00 C ATOM 370 O PHE A 28 -0.480 5.126 1.362 1.00 0.00 O ATOM 371 CB PHE A 28 -2.771 4.760 3.872 1.00 0.00 C ATOM 372 CG PHE A 28 -2.592 6.249 3.795 1.00 0.00 C ATOM 373 CD1 PHE A 28 -1.494 6.859 4.379 1.00 0.00 C ATOM 374 CD2 PHE A 28 -3.521 7.039 3.138 1.00 0.00 C ATOM 375 CE1 PHE A 28 -1.325 8.230 4.309 1.00 0.00 C ATOM 376 CE2 PHE A 28 -3.358 8.409 3.064 1.00 0.00 C ATOM 377 CZ PHE A 28 -2.260 9.005 3.652 1.00 0.00 C ATOM 0 H PHE A 28 -2.031 2.359 4.006 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.733 4.132 1.816 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.836 4.531 3.893 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.349 4.399 4.810 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.761 6.257 4.895 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.383 6.579 2.678 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.464 8.693 4.767 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.089 9.013 2.547 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.133 10.076 3.598 1.00 0.00 H new ATOM 387 N ALA A 29 0.162 4.434 3.404 1.00 0.00 N ATOM 388 CA ALA A 29 1.525 4.932 3.264 1.00 0.00 C ATOM 389 C ALA A 29 2.205 4.333 2.038 1.00 0.00 C ATOM 390 O ALA A 29 3.144 4.913 1.491 1.00 0.00 O ATOM 391 CB ALA A 29 2.330 4.626 4.519 1.00 0.00 C ATOM 0 H ALA A 29 -0.032 3.980 4.297 1.00 0.00 H new ATOM 0 HA ALA A 29 1.479 6.013 3.130 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.346 5.003 4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.862 5.107 5.378 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.360 3.548 4.678 1.00 0.00 H new ATOM 397 N LYS A 30 1.726 3.170 1.610 1.00 0.00 N ATOM 398 CA LYS A 30 2.287 2.492 0.448 1.00 0.00 C ATOM 399 C LYS A 30 1.711 3.063 -0.845 1.00 0.00 C ATOM 400 O LYS A 30 2.450 3.517 -1.718 1.00 0.00 O ATOM 401 CB LYS A 30 2.007 0.990 0.524 1.00 0.00 C ATOM 402 CG LYS A 30 2.458 0.224 -0.708 1.00 0.00 C ATOM 403 CD LYS A 30 2.131 -1.256 -0.596 1.00 0.00 C ATOM 404 CE LYS A 30 3.178 -1.997 0.221 1.00 0.00 C ATOM 405 NZ LYS A 30 4.372 -2.349 -0.597 1.00 0.00 N ATOM 0 H LYS A 30 0.950 2.677 2.051 1.00 0.00 H new ATOM 0 HA LYS A 30 3.365 2.655 0.448 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.508 0.579 1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.938 0.835 0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.974 0.638 -1.592 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.532 0.351 -0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.152 -1.380 -0.133 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.069 -1.693 -1.593 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.485 -1.379 1.065 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.740 -2.906 0.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.077 -2.823 0.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.089 -2.987 -1.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.785 -1.483 -0.999 1.00 0.00 H new ATOM 419 N LYS A 31 0.388 3.037 -0.960 1.00 0.00 N ATOM 420 CA LYS A 31 -0.288 3.553 -2.144 1.00 0.00 C ATOM 421 C LYS A 31 0.037 5.029 -2.355 1.00 0.00 C ATOM 422 O LYS A 31 0.119 5.500 -3.490 1.00 0.00 O ATOM 423 CB LYS A 31 -1.801 3.366 -2.015 1.00 0.00 C ATOM 424 CG LYS A 31 -2.566 3.703 -3.284 1.00 0.00 C ATOM 425 CD LYS A 31 -4.013 3.248 -3.200 1.00 0.00 C ATOM 426 CE LYS A 31 -4.895 4.310 -2.560 1.00 0.00 C ATOM 427 NZ LYS A 31 -6.342 4.034 -2.777 1.00 0.00 N ATOM 0 H LYS A 31 -0.238 2.664 -0.247 1.00 0.00 H new ATOM 0 HA LYS A 31 0.068 2.993 -3.009 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.009 2.332 -1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.168 3.993 -1.202 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.531 4.779 -3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.083 3.228 -4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.383 3.021 -4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.073 2.326 -2.621 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.690 4.355 -1.490 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.646 5.287 -2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.909 4.780 -2.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.543 4.016 -3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.586 3.113 -2.360 1.00 0.00 H new ATOM 441 N TYR A 32 0.221 5.752 -1.257 1.00 0.00 N ATOM 442 CA TYR A 32 0.536 7.174 -1.322 1.00 0.00 C ATOM 443 C TYR A 32 2.039 7.406 -1.196 1.00 0.00 C ATOM 444 O TYR A 32 2.494 8.542 -1.060 1.00 0.00 O ATOM 445 CB TYR A 32 -0.203 7.933 -0.218 1.00 0.00 C ATOM 446 CG TYR A 32 -1.601 8.356 -0.606 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.441 7.496 -1.302 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.084 9.616 -0.275 1.00 0.00 C ATOM 449 CE1 TYR A 32 -3.719 7.879 -1.659 1.00 0.00 C ATOM 450 CE2 TYR A 32 -3.361 10.007 -0.626 1.00 0.00 C ATOM 451 CZ TYR A 32 -4.175 9.135 -1.319 1.00 0.00 C ATOM 452 OH TYR A 32 -5.448 9.520 -1.671 1.00 0.00 O ATOM 0 H TYR A 32 0.158 5.377 -0.311 1.00 0.00 H new ATOM 0 HA TYR A 32 0.209 7.548 -2.292 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.256 7.304 0.671 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.374 8.818 0.052 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.089 6.511 -1.569 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.449 10.302 0.266 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.358 7.198 -2.202 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.720 10.990 -0.360 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.613 10.433 -1.355 1.00 0.00 H new ATOM 462 N ARG A 33 2.804 6.321 -1.243 1.00 0.00 N ATOM 463 CA ARG A 33 4.256 6.404 -1.134 1.00 0.00 C ATOM 464 C ARG A 33 4.841 7.227 -2.278 1.00 0.00 C ATOM 465 O ARG A 33 5.322 8.341 -2.072 1.00 0.00 O ATOM 466 CB ARG A 33 4.869 5.003 -1.133 1.00 0.00 C ATOM 467 CG ARG A 33 6.361 4.992 -0.841 1.00 0.00 C ATOM 468 CD ARG A 33 6.703 4.022 0.279 1.00 0.00 C ATOM 469 NE ARG A 33 6.210 2.674 0.005 1.00 0.00 N ATOM 470 CZ ARG A 33 6.749 1.864 -0.899 1.00 0.00 C ATOM 471 NH1 ARG A 33 7.793 2.262 -1.612 1.00 0.00 N ATOM 472 NH2 ARG A 33 6.244 0.652 -1.090 1.00 0.00 N ATOM 0 H ARG A 33 2.443 5.374 -1.356 1.00 0.00 H new ATOM 0 HA ARG A 33 4.497 6.899 -0.193 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.357 4.392 -0.389 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.694 4.538 -2.103 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.907 4.715 -1.743 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.686 5.995 -0.567 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.784 3.992 0.415 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.274 4.382 1.214 1.00 0.00 H new ATOM 0 HE ARG A 33 5.408 2.337 0.537 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.185 3.193 -1.467 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.205 1.638 -2.306 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.441 0.342 -0.542 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.658 0.030 -1.784 1.00 0.00 H new ATOM 486 N VAL A 34 4.796 6.670 -3.484 1.00 0.00 N ATOM 487 CA VAL A 34 5.320 7.352 -4.661 1.00 0.00 C ATOM 488 C VAL A 34 4.577 8.658 -4.916 1.00 0.00 C ATOM 489 O VAL A 34 5.141 9.609 -5.456 1.00 0.00 O ATOM 490 CB VAL A 34 5.221 6.464 -5.915 1.00 0.00 C ATOM 491 CG1 VAL A 34 5.954 7.105 -7.083 1.00 0.00 C ATOM 492 CG2 VAL A 34 5.770 5.074 -5.628 1.00 0.00 C ATOM 0 H VAL A 34 4.402 5.748 -3.671 1.00 0.00 H new ATOM 0 HA VAL A 34 6.369 7.568 -4.460 1.00 0.00 H new ATOM 0 HB VAL A 34 4.170 6.366 -6.187 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.873 6.463 -7.960 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.510 8.076 -7.302 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.005 7.236 -6.825 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.692 4.460 -6.525 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.816 5.150 -5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.196 4.615 -4.823 1.00 0.00 H new ATOM 502 N GLU A 35 3.307 8.697 -4.524 1.00 0.00 N ATOM 503 CA GLU A 35 2.486 9.887 -4.711 1.00 0.00 C ATOM 504 C GLU A 35 3.186 11.123 -4.153 1.00 0.00 C ATOM 505 O GLU A 35 3.104 12.209 -4.728 1.00 0.00 O ATOM 506 CB GLU A 35 1.126 9.708 -4.034 1.00 0.00 C ATOM 507 CG GLU A 35 0.280 8.606 -4.650 1.00 0.00 C ATOM 508 CD GLU A 35 0.296 8.638 -6.166 1.00 0.00 C ATOM 509 OE1 GLU A 35 1.200 8.016 -6.763 1.00 0.00 O ATOM 510 OE2 GLU A 35 -0.596 9.283 -6.755 1.00 0.00 O ATOM 0 H GLU A 35 2.825 7.918 -4.075 1.00 0.00 H new ATOM 0 HA GLU A 35 2.334 10.028 -5.781 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.281 9.488 -2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.577 10.648 -4.086 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.645 7.638 -4.307 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.747 8.702 -4.299 1.00 0.00 H new ATOM 517 N TYR A 36 3.872 10.950 -3.029 1.00 0.00 N ATOM 518 CA TYR A 36 4.583 12.052 -2.391 1.00 0.00 C ATOM 519 C TYR A 36 6.048 12.075 -2.818 1.00 0.00 C ATOM 520 O TYR A 36 6.715 13.107 -2.735 1.00 0.00 O ATOM 521 CB TYR A 36 4.487 11.934 -0.869 1.00 0.00 C ATOM 522 CG TYR A 36 3.147 12.359 -0.312 1.00 0.00 C ATOM 523 CD1 TYR A 36 1.976 11.722 -0.704 1.00 0.00 C ATOM 524 CD2 TYR A 36 3.052 13.398 0.606 1.00 0.00 C ATOM 525 CE1 TYR A 36 0.750 12.108 -0.199 1.00 0.00 C ATOM 526 CE2 TYR A 36 1.830 13.789 1.118 1.00 0.00 C ATOM 527 CZ TYR A 36 0.681 13.142 0.712 1.00 0.00 C ATOM 528 OH TYR A 36 -0.538 13.528 1.219 1.00 0.00 O ATOM 0 H TYR A 36 3.951 10.058 -2.541 1.00 0.00 H new ATOM 0 HA TYR A 36 4.116 12.984 -2.708 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.680 10.901 -0.580 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.269 12.543 -0.416 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.025 10.911 -1.416 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.949 13.908 0.925 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.151 11.603 -0.516 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.774 14.597 1.832 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.237 13.360 0.553 1.00 0.00 H new ATOM 538 N THR A 37 6.542 10.930 -3.279 1.00 0.00 N ATOM 539 CA THR A 37 7.926 10.817 -3.720 1.00 0.00 C ATOM 540 C THR A 37 8.206 11.747 -4.895 1.00 0.00 C ATOM 541 O THR A 37 9.299 12.300 -5.012 1.00 0.00 O ATOM 542 CB THR A 37 8.269 9.372 -4.129 1.00 0.00 C ATOM 543 OG1 THR A 37 8.090 8.491 -3.015 1.00 0.00 O ATOM 544 CG2 THR A 37 9.702 9.278 -4.631 1.00 0.00 C ATOM 0 H THR A 37 6.003 10.067 -3.356 1.00 0.00 H new ATOM 0 HA THR A 37 8.552 11.105 -2.875 1.00 0.00 H new ATOM 0 HB THR A 37 7.598 9.077 -4.935 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.157 8.524 -2.718 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.922 8.249 -4.914 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.827 9.927 -5.498 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.385 9.591 -3.842 1.00 0.00 H new ATOM 552 N GLN A 38 7.212 11.914 -5.761 1.00 0.00 N ATOM 553 CA GLN A 38 7.354 12.778 -6.927 1.00 0.00 C ATOM 554 C GLN A 38 6.802 14.171 -6.643 1.00 0.00 C ATOM 555 O GLN A 38 7.277 15.162 -7.197 1.00 0.00 O ATOM 556 CB GLN A 38 6.633 12.167 -8.131 1.00 0.00 C ATOM 557 CG GLN A 38 6.904 10.682 -8.312 1.00 0.00 C ATOM 558 CD GLN A 38 6.332 10.139 -9.607 1.00 0.00 C ATOM 559 OE1 GLN A 38 7.067 9.849 -10.551 1.00 0.00 O ATOM 560 NE2 GLN A 38 5.012 9.997 -9.658 1.00 0.00 N ATOM 0 H GLN A 38 6.301 11.463 -5.678 1.00 0.00 H new ATOM 0 HA GLN A 38 8.416 12.867 -7.154 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.560 12.321 -8.018 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.938 12.696 -9.034 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.980 10.508 -8.293 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.477 10.133 -7.472 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.440 10.250 -8.852 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.570 9.635 -10.503 1.00 0.00 H new ATOM 569 N MET A 39 5.797 14.238 -5.776 1.00 0.00 N ATOM 570 CA MET A 39 5.182 15.511 -5.418 1.00 0.00 C ATOM 571 C MET A 39 6.112 16.334 -4.533 1.00 0.00 C ATOM 572 O MET A 39 6.073 17.565 -4.550 1.00 0.00 O ATOM 573 CB MET A 39 3.852 15.275 -4.700 1.00 0.00 C ATOM 574 CG MET A 39 2.655 15.229 -5.637 1.00 0.00 C ATOM 575 SD MET A 39 1.113 15.674 -4.815 1.00 0.00 S ATOM 576 CE MET A 39 0.690 14.123 -4.026 1.00 0.00 C ATOM 0 H MET A 39 5.392 13.427 -5.309 1.00 0.00 H new ATOM 0 HA MET A 39 4.997 16.068 -6.337 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.908 14.336 -4.149 1.00 0.00 H new ATOM 0 HB3 MET A 39 3.699 16.067 -3.967 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.826 15.908 -6.472 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.564 14.226 -6.055 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.244 14.237 -3.476 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.572 13.349 -4.785 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.484 13.837 -3.337 1.00 0.00 H new ATOM 586 N TYR A 40 6.946 15.648 -3.760 1.00 0.00 N ATOM 587 CA TYR A 40 7.884 16.317 -2.865 1.00 0.00 C ATOM 588 C TYR A 40 9.285 15.729 -3.007 1.00 0.00 C ATOM 589 O TYR A 40 9.780 15.020 -2.131 1.00 0.00 O ATOM 590 CB TYR A 40 7.412 16.196 -1.415 1.00 0.00 C ATOM 591 CG TYR A 40 6.087 16.874 -1.151 1.00 0.00 C ATOM 592 CD1 TYR A 40 4.896 16.310 -1.593 1.00 0.00 C ATOM 593 CD2 TYR A 40 6.025 18.078 -0.460 1.00 0.00 C ATOM 594 CE1 TYR A 40 3.682 16.926 -1.355 1.00 0.00 C ATOM 595 CE2 TYR A 40 4.816 18.700 -0.216 1.00 0.00 C ATOM 596 CZ TYR A 40 3.648 18.120 -0.666 1.00 0.00 C ATOM 597 OH TYR A 40 2.441 18.738 -0.426 1.00 0.00 O ATOM 0 H TYR A 40 6.992 14.629 -3.735 1.00 0.00 H new ATOM 0 HA TYR A 40 7.922 17.371 -3.141 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.328 15.141 -1.156 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.168 16.627 -0.758 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.920 15.374 -2.132 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.938 18.535 -0.108 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.766 16.475 -1.706 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.785 19.635 0.324 1.00 0.00 H new ATOM 0 HH TYR A 40 2.592 19.569 0.072 1.00 0.00 H new ATOM 607 N PRO A 41 9.940 16.031 -4.137 1.00 0.00 N ATOM 608 CA PRO A 41 11.293 15.545 -4.422 1.00 0.00 C ATOM 609 C PRO A 41 12.343 16.193 -3.525 1.00 0.00 C ATOM 610 O PRO A 41 13.291 15.541 -3.091 1.00 0.00 O ATOM 611 CB PRO A 41 11.516 15.948 -5.882 1.00 0.00 C ATOM 612 CG PRO A 41 10.613 17.114 -6.095 1.00 0.00 C ATOM 613 CD PRO A 41 9.410 16.871 -5.225 1.00 0.00 C ATOM 0 HA PRO A 41 11.387 14.474 -4.242 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.557 16.215 -6.065 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.273 15.130 -6.560 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.109 18.046 -5.824 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.326 17.199 -7.143 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.993 17.804 -4.846 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.614 16.365 -5.772 1.00 0.00 H new ATOM 621 N GLY A 42 12.165 17.482 -3.250 1.00 0.00 N ATOM 622 CA GLY A 42 13.105 18.196 -2.406 1.00 0.00 C ATOM 623 C GLY A 42 13.150 17.646 -0.994 1.00 0.00 C ATOM 624 O GLY A 42 14.134 17.831 -0.278 1.00 0.00 O ATOM 0 H GLY A 42 11.387 18.044 -3.596 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.100 18.139 -2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.831 19.250 -2.373 1.00 0.00 H new ATOM 628 N LYS A 43 12.080 16.970 -0.590 1.00 0.00 N ATOM 629 CA LYS A 43 11.999 16.391 0.746 1.00 0.00 C ATOM 630 C LYS A 43 12.684 15.029 0.790 1.00 0.00 C ATOM 631 O LYS A 43 12.999 14.447 -0.248 1.00 0.00 O ATOM 632 CB LYS A 43 10.538 16.254 1.177 1.00 0.00 C ATOM 633 CG LYS A 43 9.832 17.585 1.368 1.00 0.00 C ATOM 634 CD LYS A 43 8.692 17.474 2.366 1.00 0.00 C ATOM 635 CE LYS A 43 8.290 18.837 2.908 1.00 0.00 C ATOM 636 NZ LYS A 43 7.753 18.746 4.294 1.00 0.00 N ATOM 0 H LYS A 43 11.256 16.809 -1.169 1.00 0.00 H new ATOM 0 HA LYS A 43 12.513 17.059 1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.001 15.671 0.429 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.495 15.692 2.110 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.548 18.331 1.713 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.446 17.933 0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.833 17.004 1.888 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.991 16.827 3.191 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.154 19.502 2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.538 19.280 2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.976 19.621 4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.722 18.618 4.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.186 17.936 4.782 1.00 0.00 H new ATOM 650 N ASP A 44 12.910 14.525 1.999 1.00 0.00 N ATOM 651 CA ASP A 44 13.554 13.229 2.178 1.00 0.00 C ATOM 652 C ASP A 44 12.523 12.146 2.480 1.00 0.00 C ATOM 653 O ASP A 44 11.407 12.440 2.905 1.00 0.00 O ATOM 654 CB ASP A 44 14.584 13.300 3.307 1.00 0.00 C ATOM 655 CG ASP A 44 14.063 14.046 4.520 1.00 0.00 C ATOM 656 OD1 ASP A 44 13.300 13.444 5.304 1.00 0.00 O ATOM 657 OD2 ASP A 44 14.417 15.233 4.684 1.00 0.00 O ATOM 0 H ASP A 44 12.657 14.994 2.869 1.00 0.00 H new ATOM 0 HA ASP A 44 14.062 12.972 1.248 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.868 12.289 3.600 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.486 13.791 2.942 1.00 0.00 H new ATOM 662 N ASN A 45 12.906 10.893 2.257 1.00 0.00 N ATOM 663 CA ASN A 45 12.014 9.766 2.503 1.00 0.00 C ATOM 664 C ASN A 45 11.435 9.829 3.913 1.00 0.00 C ATOM 665 O ASN A 45 10.260 9.529 4.127 1.00 0.00 O ATOM 666 CB ASN A 45 12.760 8.445 2.305 1.00 0.00 C ATOM 667 CG ASN A 45 13.596 8.437 1.040 1.00 0.00 C ATOM 668 OD1 ASN A 45 14.815 8.269 1.089 1.00 0.00 O ATOM 669 ND2 ASN A 45 12.943 8.621 -0.102 1.00 0.00 N ATOM 0 H ASN A 45 13.828 10.633 1.906 1.00 0.00 H new ATOM 0 HA ASN A 45 11.193 9.822 1.789 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.405 8.263 3.165 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.041 7.627 2.267 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.453 8.627 -0.986 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.932 8.756 -0.095 1.00 0.00 H new ATOM 676 N ARG A 46 12.267 10.222 4.872 1.00 0.00 N ATOM 677 CA ARG A 46 11.838 10.324 6.262 1.00 0.00 C ATOM 678 C ARG A 46 10.680 11.308 6.403 1.00 0.00 C ATOM 679 O ARG A 46 9.776 11.106 7.212 1.00 0.00 O ATOM 680 CB ARG A 46 13.006 10.764 7.147 1.00 0.00 C ATOM 681 CG ARG A 46 12.702 10.693 8.635 1.00 0.00 C ATOM 682 CD ARG A 46 12.851 9.276 9.167 1.00 0.00 C ATOM 683 NE ARG A 46 14.249 8.921 9.394 1.00 0.00 N ATOM 684 CZ ARG A 46 14.672 7.673 9.565 1.00 0.00 C ATOM 685 NH1 ARG A 46 13.809 6.667 9.534 1.00 0.00 N ATOM 686 NH2 ARG A 46 15.961 7.430 9.768 1.00 0.00 N ATOM 0 H ARG A 46 13.242 10.475 4.712 1.00 0.00 H new ATOM 0 HA ARG A 46 11.497 9.340 6.584 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.871 10.137 6.931 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.281 11.787 6.889 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.374 11.359 9.177 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.687 11.047 8.817 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.296 9.179 10.100 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.409 8.575 8.459 1.00 0.00 H new ATOM 0 HE ARG A 46 14.939 9.672 9.423 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.818 6.850 9.379 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.136 5.710 9.666 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.628 8.202 9.793 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.285 6.472 9.899 1.00 0.00 H new ATOM 700 N ALA A 47 10.716 12.373 5.609 1.00 0.00 N ATOM 701 CA ALA A 47 9.670 13.387 5.644 1.00 0.00 C ATOM 702 C ALA A 47 8.395 12.884 4.974 1.00 0.00 C ATOM 703 O ALA A 47 7.291 13.120 5.465 1.00 0.00 O ATOM 704 CB ALA A 47 10.151 14.666 4.974 1.00 0.00 C ATOM 0 H ALA A 47 11.458 12.556 4.934 1.00 0.00 H new ATOM 0 HA ALA A 47 9.441 13.601 6.688 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.359 15.414 5.008 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.029 15.043 5.498 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.410 14.458 3.936 1.00 0.00 H new ATOM 710 N ILE A 48 8.556 12.193 3.851 1.00 0.00 N ATOM 711 CA ILE A 48 7.418 11.657 3.114 1.00 0.00 C ATOM 712 C ILE A 48 6.508 10.841 4.026 1.00 0.00 C ATOM 713 O ILE A 48 5.296 11.051 4.059 1.00 0.00 O ATOM 714 CB ILE A 48 7.874 10.774 1.938 1.00 0.00 C ATOM 715 CG1 ILE A 48 8.775 11.570 0.992 1.00 0.00 C ATOM 716 CG2 ILE A 48 6.668 10.222 1.192 1.00 0.00 C ATOM 717 CD1 ILE A 48 8.069 12.725 0.316 1.00 0.00 C ATOM 0 H ILE A 48 9.463 11.991 3.431 1.00 0.00 H new ATOM 0 HA ILE A 48 6.865 12.511 2.723 1.00 0.00 H new ATOM 0 HB ILE A 48 8.447 9.935 2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.628 11.953 1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.170 10.899 0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.006 9.600 0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.062 9.623 1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.070 11.047 0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.767 13.245 -0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.233 12.346 -0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.698 13.417 1.072 1.00 0.00 H new ATOM 729 N SER A 49 7.102 9.911 4.766 1.00 0.00 N ATOM 730 CA SER A 49 6.345 9.061 5.678 1.00 0.00 C ATOM 731 C SER A 49 5.631 9.899 6.735 1.00 0.00 C ATOM 732 O SER A 49 4.467 9.655 7.055 1.00 0.00 O ATOM 733 CB SER A 49 7.272 8.049 6.354 1.00 0.00 C ATOM 734 OG SER A 49 8.093 7.395 5.403 1.00 0.00 O ATOM 0 H SER A 49 8.105 9.727 4.752 1.00 0.00 H new ATOM 0 HA SER A 49 5.595 8.524 5.097 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.896 8.557 7.089 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.678 7.312 6.895 1.00 0.00 H new ATOM 0 HG SER A 49 8.677 6.755 5.860 1.00 0.00 H new ATOM 740 N VAL A 50 6.337 10.888 7.273 1.00 0.00 N ATOM 741 CA VAL A 50 5.771 11.763 8.293 1.00 0.00 C ATOM 742 C VAL A 50 4.571 12.533 7.753 1.00 0.00 C ATOM 743 O VAL A 50 3.515 12.577 8.384 1.00 0.00 O ATOM 744 CB VAL A 50 6.818 12.766 8.814 1.00 0.00 C ATOM 745 CG1 VAL A 50 6.203 13.684 9.860 1.00 0.00 C ATOM 746 CG2 VAL A 50 8.024 12.031 9.380 1.00 0.00 C ATOM 0 H VAL A 50 7.301 11.103 7.020 1.00 0.00 H new ATOM 0 HA VAL A 50 5.449 11.124 9.115 1.00 0.00 H new ATOM 0 HB VAL A 50 7.155 13.380 7.979 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.957 14.386 10.217 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.374 14.236 9.417 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.837 13.089 10.696 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.754 12.755 9.743 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.707 11.391 10.203 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.477 11.420 8.599 1.00 0.00 H new ATOM 756 N ILE A 51 4.741 13.136 6.581 1.00 0.00 N ATOM 757 CA ILE A 51 3.671 13.903 5.955 1.00 0.00 C ATOM 758 C ILE A 51 2.480 13.011 5.619 1.00 0.00 C ATOM 759 O ILE A 51 1.338 13.470 5.578 1.00 0.00 O ATOM 760 CB ILE A 51 4.155 14.600 4.670 1.00 0.00 C ATOM 761 CG1 ILE A 51 5.328 15.532 4.981 1.00 0.00 C ATOM 762 CG2 ILE A 51 3.014 15.373 4.025 1.00 0.00 C ATOM 763 CD1 ILE A 51 6.129 15.924 3.759 1.00 0.00 C ATOM 0 H ILE A 51 5.609 13.108 6.046 1.00 0.00 H new ATOM 0 HA ILE A 51 3.363 14.661 6.675 1.00 0.00 H new ATOM 0 HB ILE A 51 4.496 13.839 3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.948 16.434 5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.989 15.044 5.698 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.372 15.860 3.118 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.206 14.686 3.774 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.646 16.127 4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.944 16.585 4.055 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.539 15.029 3.291 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.482 16.441 3.050 1.00 0.00 H new ATOM 775 N LEU A 52 2.754 11.733 5.379 1.00 0.00 N ATOM 776 CA LEU A 52 1.706 10.775 5.048 1.00 0.00 C ATOM 777 C LEU A 52 0.808 10.512 6.253 1.00 0.00 C ATOM 778 O LEU A 52 -0.417 10.535 6.143 1.00 0.00 O ATOM 779 CB LEU A 52 2.323 9.462 4.561 1.00 0.00 C ATOM 780 CG LEU A 52 2.765 9.431 3.098 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.458 8.115 2.778 1.00 0.00 C ATOM 782 CD2 LEU A 52 1.574 9.646 2.176 1.00 0.00 C ATOM 0 H LEU A 52 3.693 11.337 5.408 1.00 0.00 H new ATOM 0 HA LEU A 52 1.097 11.201 4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.187 9.236 5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.598 8.663 4.718 1.00 0.00 H new ATOM 0 HG LEU A 52 3.475 10.242 2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.766 8.111 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.335 8.001 3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.770 7.289 2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.908 9.621 1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.840 8.857 2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.120 10.614 2.388 1.00 0.00 H new ATOM 794 N GLY A 53 1.427 10.264 7.403 1.00 0.00 N ATOM 795 CA GLY A 53 0.668 10.003 8.612 1.00 0.00 C ATOM 796 C GLY A 53 -0.352 11.086 8.902 1.00 0.00 C ATOM 797 O GLY A 53 -1.515 10.794 9.184 1.00 0.00 O ATOM 0 H GLY A 53 2.440 10.239 7.519 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.158 9.044 8.517 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.353 9.918 9.456 1.00 0.00 H new ATOM 801 N ASP A 54 0.083 12.340 8.834 1.00 0.00 N ATOM 802 CA ASP A 54 -0.801 13.471 9.092 1.00 0.00 C ATOM 803 C ASP A 54 -2.072 13.369 8.254 1.00 0.00 C ATOM 804 O ASP A 54 -3.169 13.650 8.736 1.00 0.00 O ATOM 805 CB ASP A 54 -0.081 14.786 8.793 1.00 0.00 C ATOM 806 CG ASP A 54 -0.641 15.947 9.592 1.00 0.00 C ATOM 807 OD1 ASP A 54 -0.173 16.164 10.730 1.00 0.00 O ATOM 808 OD2 ASP A 54 -1.545 16.638 9.080 1.00 0.00 O ATOM 0 H ASP A 54 1.042 12.599 8.602 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.080 13.451 10.145 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.980 14.674 9.015 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.163 15.008 7.729 1.00 0.00 H new ATOM 813 N ARG A 55 -1.915 12.969 6.996 1.00 0.00 N ATOM 814 CA ARG A 55 -3.049 12.833 6.090 1.00 0.00 C ATOM 815 C ARG A 55 -4.017 11.764 6.588 1.00 0.00 C ATOM 816 O ARG A 55 -5.227 11.864 6.381 1.00 0.00 O ATOM 817 CB ARG A 55 -2.565 12.483 4.682 1.00 0.00 C ATOM 818 CG ARG A 55 -1.913 13.647 3.954 1.00 0.00 C ATOM 819 CD ARG A 55 -2.823 14.208 2.873 1.00 0.00 C ATOM 820 NE ARG A 55 -2.365 15.509 2.393 1.00 0.00 N ATOM 821 CZ ARG A 55 -2.429 16.622 3.115 1.00 0.00 C ATOM 822 NH1 ARG A 55 -2.927 16.592 4.343 1.00 0.00 N ATOM 823 NH2 ARG A 55 -1.992 17.769 2.609 1.00 0.00 N ATOM 0 H ARG A 55 -1.013 12.734 6.581 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.574 13.788 6.059 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.852 11.661 4.746 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.411 12.126 4.095 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.668 14.433 4.668 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.975 13.318 3.507 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.868 13.509 2.038 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.836 14.302 3.265 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.975 15.566 1.452 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.262 15.713 4.736 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.975 17.448 4.895 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.607 17.796 1.665 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.042 18.623 3.164 1.00 0.00 H new ATOM 837 N TRP A 56 -3.477 10.743 7.242 1.00 0.00 N ATOM 838 CA TRP A 56 -4.294 9.655 7.768 1.00 0.00 C ATOM 839 C TRP A 56 -5.105 10.117 8.973 1.00 0.00 C ATOM 840 O TRP A 56 -6.156 9.553 9.280 1.00 0.00 O ATOM 841 CB TRP A 56 -3.410 8.469 8.158 1.00 0.00 C ATOM 842 CG TRP A 56 -4.180 7.314 8.722 1.00 0.00 C ATOM 843 CD1 TRP A 56 -4.533 7.123 10.028 1.00 0.00 C ATOM 844 CD2 TRP A 56 -4.691 6.189 7.998 1.00 0.00 C ATOM 845 NE1 TRP A 56 -5.233 5.948 10.159 1.00 0.00 N ATOM 846 CE2 TRP A 56 -5.344 5.356 8.929 1.00 0.00 C ATOM 847 CE3 TRP A 56 -4.662 5.805 6.655 1.00 0.00 C ATOM 848 CZ2 TRP A 56 -5.960 4.164 8.556 1.00 0.00 C ATOM 849 CZ3 TRP A 56 -5.274 4.621 6.287 1.00 0.00 C ATOM 850 CH2 TRP A 56 -5.916 3.813 7.235 1.00 0.00 C ATOM 0 H TRP A 56 -2.478 10.645 7.421 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.986 9.342 6.986 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -2.857 8.134 7.281 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.675 8.799 8.892 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -4.297 7.797 10.838 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.609 5.577 11.031 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.170 6.422 5.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.455 3.539 9.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.257 4.314 5.252 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.386 2.894 6.916 1.00 0.00 H new ATOM 861 N LYS A 57 -4.612 11.146 9.654 1.00 0.00 N ATOM 862 CA LYS A 57 -5.293 11.686 10.825 1.00 0.00 C ATOM 863 C LYS A 57 -6.341 12.716 10.419 1.00 0.00 C ATOM 864 O LYS A 57 -7.331 12.921 11.122 1.00 0.00 O ATOM 865 CB LYS A 57 -4.280 12.322 11.780 1.00 0.00 C ATOM 866 CG LYS A 57 -3.093 11.428 12.093 1.00 0.00 C ATOM 867 CD LYS A 57 -2.216 12.025 13.181 1.00 0.00 C ATOM 868 CE LYS A 57 -1.499 13.275 12.695 1.00 0.00 C ATOM 869 NZ LYS A 57 -0.944 14.070 13.825 1.00 0.00 N ATOM 0 H LYS A 57 -3.743 11.623 9.415 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.797 10.864 11.333 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.918 13.253 11.344 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.784 12.581 12.711 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.449 10.447 12.409 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.502 11.277 11.190 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.828 12.269 14.050 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.483 11.286 13.505 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.692 12.991 12.019 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.192 13.892 12.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.463 14.914 13.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.717 14.362 14.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.264 13.490 14.356 1.00 0.00 H new ATOM 883 N LYS A 58 -6.119 13.362 9.279 1.00 0.00 N ATOM 884 CA LYS A 58 -7.046 14.369 8.776 1.00 0.00 C ATOM 885 C LYS A 58 -8.231 13.715 8.074 1.00 0.00 C ATOM 886 O LYS A 58 -9.338 14.255 8.071 1.00 0.00 O ATOM 887 CB LYS A 58 -6.328 15.317 7.813 1.00 0.00 C ATOM 888 CG LYS A 58 -6.193 16.734 8.343 1.00 0.00 C ATOM 889 CD LYS A 58 -5.538 17.651 7.323 1.00 0.00 C ATOM 890 CE LYS A 58 -5.405 19.070 7.852 1.00 0.00 C ATOM 891 NZ LYS A 58 -4.950 20.016 6.796 1.00 0.00 N ATOM 0 H LYS A 58 -5.304 13.206 8.686 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.420 14.940 9.626 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.335 14.921 7.600 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.871 15.342 6.868 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.178 17.122 8.603 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.602 16.726 9.259 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.552 17.264 7.065 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.128 17.657 6.406 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.365 19.402 8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.697 19.084 8.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.872 20.972 7.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.022 19.715 6.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.638 20.023 6.016 1.00 0.00 H new ATOM 905 N MET A 59 -7.993 12.551 7.480 1.00 0.00 N ATOM 906 CA MET A 59 -9.042 11.823 6.776 1.00 0.00 C ATOM 907 C MET A 59 -10.210 11.517 7.708 1.00 0.00 C ATOM 908 O MET A 59 -10.153 11.799 8.905 1.00 0.00 O ATOM 909 CB MET A 59 -8.487 10.523 6.191 1.00 0.00 C ATOM 910 CG MET A 59 -7.903 10.684 4.797 1.00 0.00 C ATOM 911 SD MET A 59 -7.625 9.105 3.973 1.00 0.00 S ATOM 912 CE MET A 59 -6.469 8.332 5.103 1.00 0.00 C ATOM 0 H MET A 59 -7.083 12.091 7.472 1.00 0.00 H new ATOM 0 HA MET A 59 -9.404 12.453 5.963 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.716 10.135 6.856 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.284 9.780 6.159 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.577 11.291 4.193 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.960 11.226 4.863 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.337 7.285 4.829 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.509 8.845 5.049 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.857 8.395 6.120 1.00 0.00 H new ATOM 922 N LYS A 60 -11.269 10.937 7.152 1.00 0.00 N ATOM 923 CA LYS A 60 -12.450 10.591 7.933 1.00 0.00 C ATOM 924 C LYS A 60 -12.462 9.104 8.273 1.00 0.00 C ATOM 925 O LYS A 60 -11.521 8.378 7.955 1.00 0.00 O ATOM 926 CB LYS A 60 -13.721 10.959 7.164 1.00 0.00 C ATOM 927 CG LYS A 60 -13.864 12.449 6.903 1.00 0.00 C ATOM 928 CD LYS A 60 -15.317 12.841 6.692 1.00 0.00 C ATOM 929 CE LYS A 60 -15.473 14.348 6.552 1.00 0.00 C ATOM 930 NZ LYS A 60 -16.828 14.806 6.965 1.00 0.00 N ATOM 0 H LYS A 60 -11.333 10.697 6.163 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.418 11.158 8.863 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.725 10.430 6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.589 10.612 7.725 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.454 13.008 7.744 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.281 12.723 6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.701 12.350 5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.916 12.489 7.532 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.719 14.849 7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.292 14.637 5.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.894 15.838 6.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.546 14.347 6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.992 14.553 7.960 1.00 0.00 H new ATOM 944 N ASN A 61 -13.534 8.658 8.920 1.00 0.00 N ATOM 945 CA ASN A 61 -13.668 7.257 9.302 1.00 0.00 C ATOM 946 C ASN A 61 -13.926 6.382 8.079 1.00 0.00 C ATOM 947 O ASN A 61 -13.586 5.199 8.067 1.00 0.00 O ATOM 948 CB ASN A 61 -14.804 7.088 10.312 1.00 0.00 C ATOM 949 CG ASN A 61 -14.946 5.656 10.789 1.00 0.00 C ATOM 950 OD1 ASN A 61 -14.053 5.116 11.442 1.00 0.00 O ATOM 951 ND2 ASN A 61 -16.073 5.033 10.464 1.00 0.00 N ATOM 0 H ASN A 61 -14.322 9.246 9.191 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.732 6.941 9.762 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -14.624 7.737 11.169 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.741 7.411 9.858 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -16.225 4.068 10.757 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -16.786 5.520 9.921 1.00 0.00 H new ATOM 958 N GLU A 62 -14.527 6.973 7.051 1.00 0.00 N ATOM 959 CA GLU A 62 -14.831 6.247 5.824 1.00 0.00 C ATOM 960 C GLU A 62 -13.639 6.266 4.871 1.00 0.00 C ATOM 961 O GLU A 62 -13.343 5.271 4.211 1.00 0.00 O ATOM 962 CB GLU A 62 -16.056 6.852 5.136 1.00 0.00 C ATOM 963 CG GLU A 62 -17.253 7.014 6.058 1.00 0.00 C ATOM 964 CD GLU A 62 -18.562 7.131 5.300 1.00 0.00 C ATOM 965 OE1 GLU A 62 -18.808 8.199 4.702 1.00 0.00 O ATOM 966 OE2 GLU A 62 -19.339 6.153 5.305 1.00 0.00 O ATOM 0 H GLU A 62 -14.813 7.952 7.044 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.047 5.212 6.090 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.788 7.826 4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.339 6.220 4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.304 6.161 6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.114 7.902 6.675 1.00 0.00 H new ATOM 973 N GLU A 63 -12.959 7.407 4.806 1.00 0.00 N ATOM 974 CA GLU A 63 -11.800 7.556 3.934 1.00 0.00 C ATOM 975 C GLU A 63 -10.741 6.505 4.252 1.00 0.00 C ATOM 976 O GLU A 63 -9.938 6.138 3.394 1.00 0.00 O ATOM 977 CB GLU A 63 -11.203 8.958 4.077 1.00 0.00 C ATOM 978 CG GLU A 63 -12.188 10.073 3.768 1.00 0.00 C ATOM 979 CD GLU A 63 -12.366 10.299 2.279 1.00 0.00 C ATOM 980 OE1 GLU A 63 -13.232 9.629 1.678 1.00 0.00 O ATOM 981 OE2 GLU A 63 -11.640 11.144 1.715 1.00 0.00 O ATOM 0 H GLU A 63 -13.191 8.241 5.346 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.131 7.413 2.905 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.832 9.084 5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.345 9.048 3.411 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.154 9.833 4.213 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.843 10.996 4.233 1.00 0.00 H new ATOM 988 N ARG A 64 -10.744 6.027 5.492 1.00 0.00 N ATOM 989 CA ARG A 64 -9.783 5.020 5.925 1.00 0.00 C ATOM 990 C ARG A 64 -10.379 3.619 5.819 1.00 0.00 C ATOM 991 O ARG A 64 -9.653 2.634 5.684 1.00 0.00 O ATOM 992 CB ARG A 64 -9.341 5.291 7.364 1.00 0.00 C ATOM 993 CG ARG A 64 -8.547 6.577 7.525 1.00 0.00 C ATOM 994 CD ARG A 64 -8.221 6.851 8.985 1.00 0.00 C ATOM 995 NE ARG A 64 -9.237 7.682 9.626 1.00 0.00 N ATOM 996 CZ ARG A 64 -9.225 7.991 10.918 1.00 0.00 C ATOM 997 NH1 ARG A 64 -8.256 7.541 11.702 1.00 0.00 N ATOM 998 NH2 ARG A 64 -10.185 8.753 11.428 1.00 0.00 N ATOM 0 H ARG A 64 -11.401 6.321 6.214 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.914 5.077 5.269 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.222 5.336 8.004 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.736 4.454 7.713 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.623 6.510 6.951 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.116 7.411 7.115 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.135 5.906 9.521 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.252 7.346 9.053 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.997 8.045 9.050 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.516 6.956 11.314 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.250 7.780 12.694 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.932 9.102 10.828 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.175 8.990 12.420 1.00 0.00 H new ATOM 1012 N ARG A 65 -11.704 3.538 5.884 1.00 0.00 N ATOM 1013 CA ARG A 65 -12.396 2.258 5.798 1.00 0.00 C ATOM 1014 C ARG A 65 -11.944 1.477 4.568 1.00 0.00 C ATOM 1015 O ARG A 65 -11.793 0.256 4.617 1.00 0.00 O ATOM 1016 CB ARG A 65 -13.910 2.476 5.749 1.00 0.00 C ATOM 1017 CG ARG A 65 -14.715 1.251 6.152 1.00 0.00 C ATOM 1018 CD ARG A 65 -16.204 1.553 6.195 1.00 0.00 C ATOM 1019 NE ARG A 65 -17.012 0.347 6.035 1.00 0.00 N ATOM 1020 CZ ARG A 65 -18.299 0.362 5.709 1.00 0.00 C ATOM 1021 NH1 ARG A 65 -18.922 1.515 5.508 1.00 0.00 N ATOM 1022 NH2 ARG A 65 -18.967 -0.778 5.582 1.00 0.00 N ATOM 0 H ARG A 65 -12.319 4.344 5.996 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.147 1.678 6.687 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.171 3.304 6.408 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.194 2.771 4.739 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.527 0.442 5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.385 0.903 7.131 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.450 2.031 7.143 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.453 2.263 5.406 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.563 -0.557 6.182 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.412 2.393 5.604 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -19.911 1.524 5.258 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.492 -1.667 5.735 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -19.956 -0.765 5.332 1.00 0.00 H new ATOM 1036 N MET A 66 -11.730 2.189 3.467 1.00 0.00 N ATOM 1037 CA MET A 66 -11.294 1.562 2.224 1.00 0.00 C ATOM 1038 C MET A 66 -10.064 0.690 2.458 1.00 0.00 C ATOM 1039 O MET A 66 -9.880 -0.331 1.794 1.00 0.00 O ATOM 1040 CB MET A 66 -10.985 2.627 1.171 1.00 0.00 C ATOM 1041 CG MET A 66 -9.915 3.616 1.602 1.00 0.00 C ATOM 1042 SD MET A 66 -9.796 5.037 0.499 1.00 0.00 S ATOM 1043 CE MET A 66 -11.408 5.783 0.732 1.00 0.00 C ATOM 0 H MET A 66 -11.851 3.200 3.410 1.00 0.00 H new ATOM 0 HA MET A 66 -12.104 0.929 1.862 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.665 2.136 0.252 1.00 0.00 H new ATOM 0 HB3 MET A 66 -11.900 3.172 0.939 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.132 3.963 2.612 1.00 0.00 H new ATOM 0 HG3 MET A 66 -8.951 3.109 1.640 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.308 6.868 0.747 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.066 5.490 -0.086 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.832 5.445 1.677 1.00 0.00 H new ATOM 1053 N TYR A 67 -9.226 1.098 3.404 1.00 0.00 N ATOM 1054 CA TYR A 67 -8.013 0.355 3.722 1.00 0.00 C ATOM 1055 C TYR A 67 -8.243 -0.584 4.903 1.00 0.00 C ATOM 1056 O TYR A 67 -7.730 -1.703 4.931 1.00 0.00 O ATOM 1057 CB TYR A 67 -6.868 1.319 4.039 1.00 0.00 C ATOM 1058 CG TYR A 67 -6.743 2.456 3.050 1.00 0.00 C ATOM 1059 CD1 TYR A 67 -6.209 2.247 1.785 1.00 0.00 C ATOM 1060 CD2 TYR A 67 -7.158 3.740 3.382 1.00 0.00 C ATOM 1061 CE1 TYR A 67 -6.092 3.283 0.878 1.00 0.00 C ATOM 1062 CE2 TYR A 67 -7.046 4.782 2.481 1.00 0.00 C ATOM 1063 CZ TYR A 67 -6.512 4.548 1.231 1.00 0.00 C ATOM 1064 OH TYR A 67 -6.398 5.584 0.332 1.00 0.00 O ATOM 0 H TYR A 67 -9.364 1.939 3.964 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.745 -0.244 2.851 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.017 1.731 5.037 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.931 0.763 4.061 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.879 1.257 1.505 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.575 3.927 4.361 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.674 3.103 -0.101 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.375 5.774 2.754 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.289 5.845 0.019 1.00 0.00 H new ATOM 1074 N THR A 68 -9.019 -0.120 5.877 1.00 0.00 N ATOM 1075 CA THR A 68 -9.318 -0.916 7.061 1.00 0.00 C ATOM 1076 C THR A 68 -9.849 -2.293 6.677 1.00 0.00 C ATOM 1077 O THR A 68 -9.282 -3.317 7.061 1.00 0.00 O ATOM 1078 CB THR A 68 -10.350 -0.214 7.964 1.00 0.00 C ATOM 1079 OG1 THR A 68 -10.224 1.207 7.839 1.00 0.00 O ATOM 1080 CG2 THR A 68 -10.160 -0.619 9.418 1.00 0.00 C ATOM 0 H THR A 68 -9.452 0.803 5.869 1.00 0.00 H new ATOM 0 HA THR A 68 -8.383 -1.030 7.610 1.00 0.00 H new ATOM 0 HB THR A 68 -11.347 -0.519 7.645 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.885 1.646 8.415 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.900 -0.111 10.037 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.285 -1.697 9.515 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.159 -0.339 9.746 1.00 0.00 H new ATOM 1088 N LEU A 69 -10.938 -2.311 5.918 1.00 0.00 N ATOM 1089 CA LEU A 69 -11.546 -3.564 5.482 1.00 0.00 C ATOM 1090 C LEU A 69 -10.593 -4.347 4.583 1.00 0.00 C ATOM 1091 O LEU A 69 -10.508 -5.571 4.672 1.00 0.00 O ATOM 1092 CB LEU A 69 -12.854 -3.288 4.739 1.00 0.00 C ATOM 1093 CG LEU A 69 -14.109 -3.182 5.606 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -14.460 -4.536 6.204 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -13.912 -2.147 6.705 1.00 0.00 C ATOM 0 H LEU A 69 -11.419 -1.473 5.591 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.758 -4.164 6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.742 -2.358 4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.008 -4.082 4.008 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.937 -2.860 4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.356 -4.441 6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.643 -5.251 5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.633 -4.887 6.821 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.815 -2.085 7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -13.071 -2.440 7.334 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.709 -1.175 6.257 1.00 0.00 H new ATOM 1107 N GLU A 70 -9.878 -3.631 3.721 1.00 0.00 N ATOM 1108 CA GLU A 70 -8.931 -4.259 2.808 1.00 0.00 C ATOM 1109 C GLU A 70 -7.861 -5.029 3.578 1.00 0.00 C ATOM 1110 O GLU A 70 -7.776 -6.253 3.488 1.00 0.00 O ATOM 1111 CB GLU A 70 -8.273 -3.205 1.915 1.00 0.00 C ATOM 1112 CG GLU A 70 -7.704 -3.770 0.624 1.00 0.00 C ATOM 1113 CD GLU A 70 -8.762 -4.429 -0.240 1.00 0.00 C ATOM 1114 OE1 GLU A 70 -9.582 -3.699 -0.834 1.00 0.00 O ATOM 1115 OE2 GLU A 70 -8.769 -5.675 -0.321 1.00 0.00 O ATOM 0 H GLU A 70 -9.937 -2.616 3.636 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.481 -4.962 2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.007 -2.437 1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.473 -2.717 2.472 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.227 -2.968 0.060 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.928 -4.498 0.861 1.00 0.00 H new ATOM 1122 N ALA A 71 -7.047 -4.301 4.336 1.00 0.00 N ATOM 1123 CA ALA A 71 -5.985 -4.914 5.123 1.00 0.00 C ATOM 1124 C ALA A 71 -6.527 -6.044 5.992 1.00 0.00 C ATOM 1125 O ALA A 71 -5.821 -7.009 6.286 1.00 0.00 O ATOM 1126 CB ALA A 71 -5.295 -3.867 5.985 1.00 0.00 C ATOM 0 H ALA A 71 -7.103 -3.286 4.421 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.256 -5.339 4.434 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.504 -4.339 6.568 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.864 -3.096 5.346 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.022 -3.415 6.660 1.00 0.00 H new ATOM 1132 N LYS A 72 -7.784 -5.917 6.401 1.00 0.00 N ATOM 1133 CA LYS A 72 -8.423 -6.927 7.237 1.00 0.00 C ATOM 1134 C LYS A 72 -8.618 -8.228 6.465 1.00 0.00 C ATOM 1135 O LYS A 72 -8.438 -9.317 7.009 1.00 0.00 O ATOM 1136 CB LYS A 72 -9.773 -6.418 7.747 1.00 0.00 C ATOM 1137 CG LYS A 72 -10.299 -7.187 8.947 1.00 0.00 C ATOM 1138 CD LYS A 72 -11.169 -6.311 9.833 1.00 0.00 C ATOM 1139 CE LYS A 72 -11.689 -7.080 11.037 1.00 0.00 C ATOM 1140 NZ LYS A 72 -10.582 -7.667 11.842 1.00 0.00 N ATOM 0 H LYS A 72 -8.381 -5.124 6.167 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.771 -7.123 8.088 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.678 -5.365 8.014 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.503 -6.477 6.940 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.876 -8.047 8.605 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.462 -7.575 9.527 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.594 -5.449 10.171 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.009 -5.927 9.254 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.281 -6.414 11.665 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.354 -7.875 10.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.949 -7.974 12.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.183 -8.485 11.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.840 -6.953 11.985 1.00 0.00 H new