USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 412 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 SER OG : rot -37:sc= 0.678 USER MOD Single : A 36 GLN : amide:sc= -1.15 K(o=-1.1,f=-3.3!) USER MOD Single : A 37 THR OG1 : rot -79:sc= -5.43! USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -118:sc= -0.0554 (180deg=-0.547) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -5.98! C(o=-6!,f=-7.5!) USER MOD Single : A 53 HIS : no HD1:sc= -0.228 X(o=-0.23,f=-0.59) USER MOD Single : A 57 ASN : amide:sc= -8.64! C(o=-8.6!,f=-13!) USER MOD Single : A 58 GLN : amide:sc= -0.107 K(o=-0.11,f=-2.2!) USER MOD Single : A 60 HIS : no HD1:sc= -0.429 X(o=-0.43,f=-0.92!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -3.13! USER MOD Single : A 71 THR OG1 : rot -36:sc= 0.00127! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -1.33! C(o=-1.3!,f=-5.5!) USER MOD Single : A 84 SER OG : rot 180:sc= 0.138 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 264 N CYS A 17 5.317 0.239 2.330 1.00 0.00 N ATOM 265 CA CYS A 17 5.553 -1.057 3.050 1.00 0.00 C ATOM 266 C CYS A 17 4.516 -1.152 4.174 1.00 0.00 C ATOM 267 O CYS A 17 3.886 -2.170 4.350 1.00 0.00 O ATOM 268 CB CYS A 17 6.978 -1.186 3.622 1.00 0.00 C ATOM 269 SG CYS A 17 7.147 -0.256 5.168 1.00 0.00 S ATOM 0 HA CYS A 17 5.449 -1.875 2.337 1.00 0.00 H new ATOM 0 HB2 CYS A 17 7.208 -2.237 3.799 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.701 -0.820 2.893 1.00 0.00 H new ATOM 274 N LEU A 18 4.346 -0.061 4.896 1.00 0.00 N ATOM 275 CA LEU A 18 3.357 0.058 6.021 1.00 0.00 C ATOM 276 C LEU A 18 4.096 0.225 7.347 1.00 0.00 C ATOM 277 O LEU A 18 4.574 1.292 7.679 1.00 0.00 O ATOM 278 CB LEU A 18 2.399 -1.142 6.111 1.00 0.00 C ATOM 279 CG LEU A 18 1.276 -1.018 5.069 1.00 0.00 C ATOM 280 CD1 LEU A 18 0.217 -0.048 5.589 1.00 0.00 C ATOM 281 CD2 LEU A 18 1.820 -0.492 3.735 1.00 0.00 C ATOM 0 H LEU A 18 4.882 0.792 4.739 1.00 0.00 H new ATOM 0 HA LEU A 18 2.748 0.938 5.812 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.951 -2.068 5.950 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.970 -1.197 7.111 1.00 0.00 H new ATOM 0 HG LEU A 18 0.845 -2.006 4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.583 0.045 4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.193 -0.425 6.526 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.670 0.929 5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.005 -0.414 3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.266 0.491 3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.576 -1.179 3.354 1.00 0.00 H new ATOM 327 N ALA A 21 7.472 -3.573 8.527 1.00 0.00 N ATOM 328 CA ALA A 21 7.591 -4.533 7.388 1.00 0.00 C ATOM 329 C ALA A 21 8.807 -4.181 6.544 1.00 0.00 C ATOM 330 O ALA A 21 9.460 -5.031 5.973 1.00 0.00 O ATOM 331 CB ALA A 21 6.332 -4.450 6.522 1.00 0.00 C ATOM 0 HA ALA A 21 7.703 -5.544 7.779 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.416 -5.149 5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.459 -4.704 7.123 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.223 -3.437 6.135 1.00 0.00 H new ATOM 337 N CYS A 22 9.113 -2.928 6.477 1.00 0.00 N ATOM 338 CA CYS A 22 10.294 -2.482 5.686 1.00 0.00 C ATOM 339 C CYS A 22 11.286 -1.776 6.610 1.00 0.00 C ATOM 340 O CYS A 22 10.969 -1.439 7.734 1.00 0.00 O ATOM 341 CB CYS A 22 9.847 -1.507 4.600 1.00 0.00 C ATOM 342 SG CYS A 22 9.144 -0.032 5.380 1.00 0.00 S ATOM 0 H CYS A 22 8.595 -2.180 6.938 1.00 0.00 H new ATOM 0 HA CYS A 22 10.767 -3.350 5.227 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.693 -1.232 3.970 1.00 0.00 H new ATOM 0 HB3 CYS A 22 9.108 -1.979 3.953 1.00 0.00 H new ATOM 347 N SER A 23 12.480 -1.534 6.143 1.00 0.00 N ATOM 348 CA SER A 23 13.481 -0.833 6.993 1.00 0.00 C ATOM 349 C SER A 23 13.322 0.679 6.810 1.00 0.00 C ATOM 350 O SER A 23 14.051 1.463 7.384 1.00 0.00 O ATOM 351 CB SER A 23 14.891 -1.251 6.579 1.00 0.00 C ATOM 352 OG SER A 23 15.839 -0.597 7.413 1.00 0.00 O ATOM 0 H SER A 23 12.805 -1.791 5.211 1.00 0.00 H new ATOM 0 HA SER A 23 13.322 -1.097 8.038 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.001 -2.332 6.662 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.068 -0.992 5.535 1.00 0.00 H new ATOM 0 HG SER A 23 15.531 0.313 7.607 1.00 0.00 H new ATOM 358 N LEU A 24 12.373 1.091 6.008 1.00 0.00 N ATOM 359 CA LEU A 24 12.159 2.549 5.777 1.00 0.00 C ATOM 360 C LEU A 24 13.214 3.081 4.803 1.00 0.00 C ATOM 361 O LEU A 24 13.176 4.225 4.397 1.00 0.00 O ATOM 362 CB LEU A 24 12.263 3.300 7.106 1.00 0.00 C ATOM 363 CG LEU A 24 10.989 4.113 7.332 1.00 0.00 C ATOM 364 CD1 LEU A 24 10.917 5.250 6.311 1.00 0.00 C ATOM 365 CD2 LEU A 24 9.769 3.204 7.169 1.00 0.00 C ATOM 0 H LEU A 24 11.735 0.476 5.502 1.00 0.00 H new ATOM 0 HA LEU A 24 11.168 2.702 5.351 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.407 2.595 7.924 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.131 3.959 7.097 1.00 0.00 H new ATOM 0 HG LEU A 24 11.001 4.531 8.339 1.00 0.00 H new ATOM 0 HD11 LEU A 24 10.008 5.828 6.474 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.785 5.899 6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.907 4.834 5.303 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.860 3.783 7.330 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.759 2.785 6.163 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.818 2.395 7.898 1.00 0.00 H new ATOM 411 N ALA A 27 11.097 2.798 0.793 1.00 0.00 N ATOM 412 CA ALA A 27 10.069 3.861 0.565 1.00 0.00 C ATOM 413 C ALA A 27 10.662 5.252 0.827 1.00 0.00 C ATOM 414 O ALA A 27 10.034 6.257 0.556 1.00 0.00 O ATOM 415 CB ALA A 27 8.872 3.634 1.499 1.00 0.00 C ATOM 0 HA ALA A 27 9.742 3.807 -0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.126 4.410 1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.432 2.658 1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.207 3.673 2.536 1.00 0.00 H new ATOM 421 N ARG A 28 11.851 5.331 1.362 1.00 0.00 N ATOM 422 CA ARG A 28 12.446 6.665 1.643 1.00 0.00 C ATOM 423 C ARG A 28 13.039 7.290 0.386 1.00 0.00 C ATOM 424 O ARG A 28 12.475 8.187 -0.209 1.00 0.00 O ATOM 425 CB ARG A 28 13.523 6.523 2.708 1.00 0.00 C ATOM 426 CG ARG A 28 12.994 7.074 4.033 1.00 0.00 C ATOM 427 CD ARG A 28 14.107 7.076 5.072 1.00 0.00 C ATOM 428 NE ARG A 28 14.109 8.382 5.801 1.00 0.00 N ATOM 429 CZ ARG A 28 14.086 9.519 5.153 1.00 0.00 C ATOM 430 NH1 ARG A 28 14.262 9.553 3.858 1.00 0.00 N ATOM 431 NH2 ARG A 28 13.942 10.635 5.814 1.00 0.00 N ATOM 0 H ARG A 28 12.432 4.532 1.615 1.00 0.00 H new ATOM 0 HA ARG A 28 11.654 7.324 1.999 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.803 5.476 2.822 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.421 7.063 2.408 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.615 8.086 3.891 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.159 6.467 4.382 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.964 6.256 5.775 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.071 6.916 4.588 1.00 0.00 H new ATOM 0 HE ARG A 28 14.129 8.387 6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.419 8.687 3.342 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.242 10.445 3.364 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.848 10.618 6.830 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.923 11.524 5.315 1.00 0.00 H new ATOM 462 N VAL A 30 13.508 5.827 -2.439 1.00 0.00 N ATOM 463 CA VAL A 30 13.080 5.168 -3.710 1.00 0.00 C ATOM 464 C VAL A 30 12.025 6.027 -4.407 1.00 0.00 C ATOM 465 O VAL A 30 11.899 6.017 -5.616 1.00 0.00 O ATOM 466 CB VAL A 30 12.512 3.780 -3.409 1.00 0.00 C ATOM 467 CG1 VAL A 30 11.042 3.880 -2.990 1.00 0.00 C ATOM 468 CG2 VAL A 30 12.630 2.903 -4.657 1.00 0.00 C ATOM 0 HA VAL A 30 13.942 5.062 -4.368 1.00 0.00 H new ATOM 0 HB VAL A 30 13.079 3.337 -2.590 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.655 2.883 -2.780 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.960 4.497 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.464 4.331 -3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 30 12.226 1.913 -4.446 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.070 3.356 -5.475 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.679 2.814 -4.941 1.00 0.00 H new ATOM 478 N PHE A 31 11.264 6.766 -3.653 1.00 0.00 N ATOM 479 CA PHE A 31 10.211 7.620 -4.275 1.00 0.00 C ATOM 480 C PHE A 31 10.840 8.886 -4.850 1.00 0.00 C ATOM 481 O PHE A 31 10.978 9.884 -4.172 1.00 0.00 O ATOM 482 CB PHE A 31 9.183 8.042 -3.228 1.00 0.00 C ATOM 483 CG PHE A 31 8.228 6.909 -2.944 1.00 0.00 C ATOM 484 CD1 PHE A 31 8.619 5.850 -2.117 1.00 0.00 C ATOM 485 CD2 PHE A 31 6.946 6.925 -3.502 1.00 0.00 C ATOM 486 CE1 PHE A 31 7.727 4.804 -1.851 1.00 0.00 C ATOM 487 CE2 PHE A 31 6.053 5.882 -3.235 1.00 0.00 C ATOM 488 CZ PHE A 31 6.443 4.821 -2.410 1.00 0.00 C ATOM 0 H PHE A 31 11.323 6.818 -2.636 1.00 0.00 H new ATOM 0 HA PHE A 31 9.728 7.041 -5.063 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.690 8.338 -2.310 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.630 8.912 -3.582 1.00 0.00 H new ATOM 0 HD1 PHE A 31 9.608 5.840 -1.684 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.645 7.743 -4.140 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.029 3.985 -1.215 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.063 5.896 -3.666 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.754 4.015 -2.204 1.00 0.00 H new ATOM 515 N ASP A 33 9.528 10.857 -6.393 1.00 0.00 N ATOM 516 CA ASP A 33 8.448 11.866 -6.244 1.00 0.00 C ATOM 517 C ASP A 33 8.908 13.023 -5.369 1.00 0.00 C ATOM 518 O ASP A 33 9.195 12.855 -4.203 1.00 0.00 O ATOM 519 CB ASP A 33 7.236 11.198 -5.606 1.00 0.00 C ATOM 520 CG ASP A 33 6.499 10.366 -6.658 1.00 0.00 C ATOM 521 OD1 ASP A 33 7.008 9.317 -7.018 1.00 0.00 O ATOM 522 OD2 ASP A 33 5.439 10.791 -7.085 1.00 0.00 O ATOM 0 HA ASP A 33 8.190 12.259 -7.227 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.551 10.562 -4.779 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.568 11.953 -5.191 1.00 0.00 H new ATOM 527 N ALA A 34 8.952 14.206 -5.922 1.00 0.00 N ATOM 528 CA ALA A 34 9.357 15.386 -5.117 1.00 0.00 C ATOM 529 C ALA A 34 8.157 15.798 -4.272 1.00 0.00 C ATOM 530 O ALA A 34 8.286 16.289 -3.169 1.00 0.00 O ATOM 531 CB ALA A 34 9.767 16.530 -6.037 1.00 0.00 C ATOM 0 H ALA A 34 8.724 14.402 -6.897 1.00 0.00 H new ATOM 0 HA ALA A 34 10.208 15.143 -4.481 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.062 17.391 -5.437 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.606 16.215 -6.658 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.926 16.803 -6.675 1.00 0.00 H new ATOM 554 N GLN A 36 5.359 13.543 -3.508 1.00 0.00 N ATOM 555 CA GLN A 36 5.155 12.427 -2.554 1.00 0.00 C ATOM 556 C GLN A 36 6.254 12.495 -1.510 1.00 0.00 C ATOM 557 O GLN A 36 6.025 12.222 -0.358 1.00 0.00 O ATOM 558 CB GLN A 36 5.181 11.075 -3.237 1.00 0.00 C ATOM 559 CG GLN A 36 4.146 11.028 -4.360 1.00 0.00 C ATOM 560 CD GLN A 36 2.739 10.967 -3.760 1.00 0.00 C ATOM 561 OE1 GLN A 36 2.308 11.886 -3.092 1.00 0.00 O ATOM 562 NE2 GLN A 36 2.002 9.911 -3.971 1.00 0.00 N ATOM 0 HA GLN A 36 4.170 12.533 -2.099 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.175 10.883 -3.641 1.00 0.00 H new ATOM 0 HB3 GLN A 36 4.975 10.289 -2.510 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.244 11.909 -4.995 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.320 10.158 -4.993 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.364 9.140 -4.532 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.064 9.857 -3.575 1.00 0.00 H new ATOM 571 N THR A 37 7.455 12.881 -1.873 1.00 0.00 N ATOM 572 CA THR A 37 8.510 12.969 -0.812 1.00 0.00 C ATOM 573 C THR A 37 7.855 13.576 0.434 1.00 0.00 C ATOM 574 O THR A 37 7.789 12.967 1.468 1.00 0.00 O ATOM 575 CB THR A 37 9.677 13.855 -1.257 1.00 0.00 C ATOM 576 OG1 THR A 37 9.404 14.407 -2.528 1.00 0.00 O ATOM 577 CG2 THR A 37 10.954 13.019 -1.330 1.00 0.00 C ATOM 0 H THR A 37 7.744 13.130 -2.819 1.00 0.00 H new ATOM 0 HA THR A 37 8.910 11.975 -0.611 1.00 0.00 H new ATOM 0 HB THR A 37 9.808 14.662 -0.536 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.580 13.736 -3.221 1.00 0.00 H new ATOM 0 HG21 THR A 37 11.784 13.650 -1.647 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.171 12.600 -0.348 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.819 12.210 -2.048 1.00 0.00 H new ATOM 585 N ASP A 38 7.314 14.750 0.311 1.00 0.00 N ATOM 586 CA ASP A 38 6.606 15.376 1.465 1.00 0.00 C ATOM 587 C ASP A 38 5.178 14.811 1.559 1.00 0.00 C ATOM 588 O ASP A 38 4.855 14.104 2.492 1.00 0.00 O ATOM 589 CB ASP A 38 6.588 16.883 1.249 1.00 0.00 C ATOM 590 CG ASP A 38 5.477 17.527 2.084 1.00 0.00 C ATOM 591 OD1 ASP A 38 4.344 17.521 1.631 1.00 0.00 O ATOM 592 OD2 ASP A 38 5.779 18.014 3.160 1.00 0.00 O ATOM 0 H ASP A 38 7.329 15.309 -0.542 1.00 0.00 H new ATOM 0 HA ASP A 38 7.116 15.153 2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.553 17.308 1.525 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.433 17.104 0.193 1.00 0.00 H new ATOM 614 N PHE A 40 3.615 12.276 0.541 1.00 0.00 N ATOM 615 CA PHE A 40 3.712 10.890 1.057 1.00 0.00 C ATOM 616 C PHE A 40 3.952 10.969 2.565 1.00 0.00 C ATOM 617 O PHE A 40 3.203 10.436 3.344 1.00 0.00 O ATOM 618 CB PHE A 40 4.872 10.171 0.359 1.00 0.00 C ATOM 619 CG PHE A 40 4.626 8.695 0.368 1.00 0.00 C ATOM 620 CD1 PHE A 40 3.890 8.114 -0.666 1.00 0.00 C ATOM 621 CD2 PHE A 40 5.110 7.914 1.418 1.00 0.00 C ATOM 622 CE1 PHE A 40 3.632 6.739 -0.645 1.00 0.00 C ATOM 623 CE2 PHE A 40 4.862 6.549 1.441 1.00 0.00 C ATOM 624 CZ PHE A 40 4.118 5.953 0.412 1.00 0.00 C ATOM 0 HA PHE A 40 2.797 10.331 0.860 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.970 10.527 -0.666 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.810 10.397 0.866 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.521 8.723 -1.478 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.678 8.372 2.214 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.060 6.283 -1.440 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.242 5.945 2.252 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.919 4.892 0.433 1.00 0.00 H new ATOM 634 N TRP A 41 4.961 11.673 2.986 1.00 0.00 N ATOM 635 CA TRP A 41 5.196 11.816 4.443 1.00 0.00 C ATOM 636 C TRP A 41 4.237 12.881 4.991 1.00 0.00 C ATOM 637 O TRP A 41 3.464 13.458 4.254 1.00 0.00 O ATOM 638 CB TRP A 41 6.621 12.290 4.692 1.00 0.00 C ATOM 639 CG TRP A 41 7.632 11.395 4.056 1.00 0.00 C ATOM 640 CD1 TRP A 41 8.724 11.851 3.410 1.00 0.00 C ATOM 641 CD2 TRP A 41 7.704 9.936 4.005 1.00 0.00 C ATOM 642 NE1 TRP A 41 9.447 10.778 2.932 1.00 0.00 N ATOM 643 CE2 TRP A 41 8.866 9.578 3.278 1.00 0.00 C ATOM 644 CE3 TRP A 41 6.888 8.897 4.497 1.00 0.00 C ATOM 645 CZ2 TRP A 41 9.205 8.248 3.050 1.00 0.00 C ATOM 646 CZ3 TRP A 41 7.233 7.555 4.269 1.00 0.00 C ATOM 647 CH2 TRP A 41 8.388 7.234 3.544 1.00 0.00 C ATOM 0 H TRP A 41 5.631 12.154 2.385 1.00 0.00 H new ATOM 0 HA TRP A 41 5.035 10.855 4.931 1.00 0.00 H new ATOM 0 HB2 TRP A 41 6.739 13.302 4.304 1.00 0.00 H new ATOM 0 HB3 TRP A 41 6.804 12.337 5.765 1.00 0.00 H new ATOM 0 HD1 TRP A 41 8.990 12.890 3.287 1.00 0.00 H new ATOM 0 HE1 TRP A 41 10.306 10.863 2.389 1.00 0.00 H new ATOM 0 HE3 TRP A 41 5.993 9.134 5.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 10.097 8.003 2.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 6.604 6.766 4.655 1.00 0.00 H new ATOM 0 HH2 TRP A 41 8.645 6.200 3.368 1.00 0.00 H new ATOM 658 N SER A 42 4.299 13.153 6.274 1.00 0.00 N ATOM 659 CA SER A 42 3.408 14.191 6.880 1.00 0.00 C ATOM 660 C SER A 42 2.035 14.153 6.224 1.00 0.00 C ATOM 661 O SER A 42 1.813 14.777 5.208 1.00 0.00 O ATOM 662 CB SER A 42 4.030 15.575 6.693 1.00 0.00 C ATOM 663 OG SER A 42 3.590 16.432 7.738 1.00 0.00 O ATOM 0 H SER A 42 4.933 12.697 6.930 1.00 0.00 H new ATOM 0 HA SER A 42 3.297 13.984 7.944 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.118 15.502 6.701 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.745 15.987 5.725 1.00 0.00 H new ATOM 0 HG SER A 42 3.988 17.320 7.622 1.00 0.00 H new ATOM 669 N LYS A 43 1.138 13.402 6.816 1.00 0.00 N ATOM 670 CA LYS A 43 -0.254 13.227 6.295 1.00 0.00 C ATOM 671 C LYS A 43 -0.449 11.734 6.098 1.00 0.00 C ATOM 672 O LYS A 43 -1.522 11.194 6.272 1.00 0.00 O ATOM 673 CB LYS A 43 -0.458 13.938 4.950 1.00 0.00 C ATOM 674 CG LYS A 43 -1.770 13.474 4.317 1.00 0.00 C ATOM 675 CD LYS A 43 -2.927 14.321 4.851 1.00 0.00 C ATOM 676 CE LYS A 43 -3.093 15.564 3.976 1.00 0.00 C ATOM 677 NZ LYS A 43 -2.533 16.749 4.685 1.00 0.00 N ATOM 0 H LYS A 43 1.323 12.883 7.674 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.968 13.657 6.997 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.476 15.018 5.097 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.376 13.721 4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.713 13.562 3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.942 12.422 4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.848 13.738 4.853 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.733 14.613 5.883 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.583 15.422 3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.147 15.726 3.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.290 17.442 4.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.129 16.450 5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.789 17.183 4.102 1.00 0.00 H new ATOM 691 N TYR A 44 0.609 11.071 5.740 1.00 0.00 N ATOM 692 CA TYR A 44 0.545 9.604 5.526 1.00 0.00 C ATOM 693 C TYR A 44 -0.007 8.958 6.791 1.00 0.00 C ATOM 694 O TYR A 44 -1.142 8.547 6.803 1.00 0.00 O ATOM 695 CB TYR A 44 1.958 9.096 5.194 1.00 0.00 C ATOM 696 CG TYR A 44 2.218 7.705 5.730 1.00 0.00 C ATOM 697 CD1 TYR A 44 1.220 6.718 5.708 1.00 0.00 C ATOM 698 CD2 TYR A 44 3.486 7.406 6.229 1.00 0.00 C ATOM 699 CE1 TYR A 44 1.502 5.431 6.193 1.00 0.00 C ATOM 700 CE2 TYR A 44 3.767 6.130 6.712 1.00 0.00 C ATOM 701 CZ TYR A 44 2.777 5.139 6.694 1.00 0.00 C ATOM 702 OH TYR A 44 3.058 3.874 7.169 1.00 0.00 O ATOM 0 H TYR A 44 1.527 11.488 5.585 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.112 9.347 4.695 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.095 9.096 4.113 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.694 9.785 5.609 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.239 6.948 5.319 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.253 8.167 6.241 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.738 4.668 6.180 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.749 5.904 7.101 1.00 0.00 H new ATOM 0 HH TYR A 44 3.987 3.840 7.479 1.00 0.00 H new ATOM 712 N LYS A 45 0.791 8.892 7.840 1.00 0.00 N ATOM 713 CA LYS A 45 0.350 8.285 9.153 1.00 0.00 C ATOM 714 C LYS A 45 -1.102 7.801 9.078 1.00 0.00 C ATOM 715 O LYS A 45 -1.992 8.371 9.677 1.00 0.00 O ATOM 716 CB LYS A 45 0.473 9.336 10.261 1.00 0.00 C ATOM 717 CG LYS A 45 0.290 10.738 9.669 1.00 0.00 C ATOM 718 CD LYS A 45 0.233 11.767 10.798 1.00 0.00 C ATOM 719 CE LYS A 45 -0.569 12.986 10.338 1.00 0.00 C ATOM 720 NZ LYS A 45 -1.613 13.303 11.353 1.00 0.00 N ATOM 0 H LYS A 45 1.750 9.240 7.843 1.00 0.00 H new ATOM 0 HA LYS A 45 0.989 7.429 9.368 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.277 9.156 11.031 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.448 9.259 10.742 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.114 10.969 8.994 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.626 10.778 9.080 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.229 11.327 11.682 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.242 12.068 11.081 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.093 13.841 10.202 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.034 12.786 9.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.159 14.132 11.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.251 12.489 11.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.159 13.510 12.265 1.00 0.00 H new ATOM 734 N ASP A 46 -1.347 6.769 8.318 1.00 0.00 N ATOM 735 CA ASP A 46 -2.738 6.262 8.168 1.00 0.00 C ATOM 736 C ASP A 46 -2.696 4.825 7.659 1.00 0.00 C ATOM 737 O ASP A 46 -3.595 4.375 6.977 1.00 0.00 O ATOM 738 CB ASP A 46 -3.471 7.126 7.135 1.00 0.00 C ATOM 739 CG ASP A 46 -4.976 7.083 7.407 1.00 0.00 C ATOM 740 OD1 ASP A 46 -5.370 7.437 8.506 1.00 0.00 O ATOM 741 OD2 ASP A 46 -5.710 6.700 6.511 1.00 0.00 O ATOM 0 H ASP A 46 -0.640 6.254 7.793 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.251 6.302 9.129 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.111 8.154 7.184 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.262 6.763 6.129 1.00 0.00 H new ATOM 746 N GLY A 47 -1.654 4.105 7.955 1.00 0.00 N ATOM 747 CA GLY A 47 -1.567 2.707 7.444 1.00 0.00 C ATOM 748 C GLY A 47 -1.416 2.761 5.921 1.00 0.00 C ATOM 749 O GLY A 47 -1.549 1.768 5.239 1.00 0.00 O ATOM 0 H GLY A 47 -0.865 4.417 8.522 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.718 2.191 7.892 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.461 2.146 7.717 1.00 0.00 H new ATOM 753 N ASP A 48 -1.147 3.930 5.394 1.00 0.00 N ATOM 754 CA ASP A 48 -0.984 4.088 3.909 1.00 0.00 C ATOM 755 C ASP A 48 -2.342 3.955 3.228 1.00 0.00 C ATOM 756 O ASP A 48 -2.424 3.682 2.049 1.00 0.00 O ATOM 757 CB ASP A 48 -0.023 3.032 3.365 1.00 0.00 C ATOM 758 CG ASP A 48 0.119 3.204 1.852 1.00 0.00 C ATOM 759 OD1 ASP A 48 0.551 4.266 1.434 1.00 0.00 O ATOM 760 OD2 ASP A 48 -0.204 2.270 1.136 1.00 0.00 O ATOM 0 H ASP A 48 -1.032 4.790 5.930 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.571 5.075 3.701 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.950 3.128 3.846 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.395 2.033 3.595 1.00 0.00 H new ATOM 765 N GLN A 49 -3.405 4.167 3.964 1.00 0.00 N ATOM 766 CA GLN A 49 -4.776 4.092 3.373 1.00 0.00 C ATOM 767 C GLN A 49 -5.175 2.652 3.017 1.00 0.00 C ATOM 768 O GLN A 49 -6.323 2.388 2.715 1.00 0.00 O ATOM 769 CB GLN A 49 -4.823 4.973 2.137 1.00 0.00 C ATOM 770 CG GLN A 49 -4.756 6.424 2.583 1.00 0.00 C ATOM 771 CD GLN A 49 -5.953 6.730 3.482 1.00 0.00 C ATOM 772 OE1 GLN A 49 -6.887 5.956 3.556 1.00 0.00 O ATOM 773 NE2 GLN A 49 -5.965 7.833 4.170 1.00 0.00 N ATOM 0 H GLN A 49 -3.380 4.391 4.959 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.492 4.443 4.116 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.990 4.741 1.473 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.739 4.790 1.575 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.826 6.609 3.120 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.760 7.084 1.716 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.181 8.482 4.107 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.759 8.050 4.773 1.00 0.00 H new ATOM 782 N CYS A 50 -4.267 1.714 3.050 1.00 0.00 N ATOM 783 CA CYS A 50 -4.656 0.313 2.714 1.00 0.00 C ATOM 784 C CYS A 50 -4.506 -0.583 3.949 1.00 0.00 C ATOM 785 O CYS A 50 -4.947 -1.715 3.955 1.00 0.00 O ATOM 786 CB CYS A 50 -3.774 -0.218 1.582 1.00 0.00 C ATOM 787 SG CYS A 50 -4.281 -1.907 1.161 1.00 0.00 S ATOM 0 H CYS A 50 -3.286 1.853 3.291 1.00 0.00 H new ATOM 0 HA CYS A 50 -5.697 0.305 2.390 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.859 0.427 0.707 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.727 -0.206 1.886 1.00 0.00 H new ATOM 792 N GLU A 51 -3.899 -0.094 5.001 1.00 0.00 N ATOM 793 CA GLU A 51 -3.747 -0.931 6.215 1.00 0.00 C ATOM 794 C GLU A 51 -5.139 -1.282 6.752 1.00 0.00 C ATOM 795 O GLU A 51 -6.088 -0.548 6.564 1.00 0.00 O ATOM 796 CB GLU A 51 -2.975 -0.148 7.278 1.00 0.00 C ATOM 797 CG GLU A 51 -2.687 -1.053 8.478 1.00 0.00 C ATOM 798 CD GLU A 51 -3.898 -1.060 9.414 1.00 0.00 C ATOM 799 OE1 GLU A 51 -4.779 -0.239 9.217 1.00 0.00 O ATOM 800 OE2 GLU A 51 -3.922 -1.884 10.313 1.00 0.00 O ATOM 0 H GLU A 51 -3.506 0.845 5.066 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.202 -1.843 5.971 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.040 0.227 6.860 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.553 0.720 7.595 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.470 -2.066 8.139 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.804 -0.699 9.011 1.00 0.00 H new ATOM 807 N GLY A 52 -5.267 -2.392 7.421 1.00 0.00 N ATOM 808 CA GLY A 52 -6.597 -2.782 7.975 1.00 0.00 C ATOM 809 C GLY A 52 -7.334 -3.692 6.988 1.00 0.00 C ATOM 810 O GLY A 52 -8.326 -4.309 7.325 1.00 0.00 O ATOM 0 H GLY A 52 -4.509 -3.048 7.610 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.466 -3.296 8.927 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.192 -1.891 8.173 1.00 0.00 H new ATOM 814 N HIS A 53 -6.866 -3.784 5.773 1.00 0.00 N ATOM 815 CA HIS A 53 -7.553 -4.657 4.777 1.00 0.00 C ATOM 816 C HIS A 53 -8.916 -4.045 4.423 1.00 0.00 C ATOM 817 O HIS A 53 -9.947 -4.608 4.734 1.00 0.00 O ATOM 818 CB HIS A 53 -7.754 -6.050 5.378 1.00 0.00 C ATOM 819 CG HIS A 53 -8.097 -7.023 4.285 1.00 0.00 C ATOM 820 ND1 HIS A 53 -7.581 -6.906 3.004 1.00 0.00 N ATOM 821 CD2 HIS A 53 -8.898 -8.138 4.266 1.00 0.00 C ATOM 822 CE1 HIS A 53 -8.074 -7.923 2.274 1.00 0.00 C ATOM 823 NE2 HIS A 53 -8.882 -8.705 2.995 1.00 0.00 N ATOM 0 H HIS A 53 -6.041 -3.295 5.427 1.00 0.00 H new ATOM 0 HA HIS A 53 -6.946 -4.737 3.875 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.848 -6.370 5.893 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -8.551 -6.026 6.121 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -9.456 -8.517 5.109 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -7.844 -8.087 1.232 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.380 -9.538 2.682 1.00 0.00 H new ATOM 831 N PRO A 54 -8.870 -2.900 3.789 1.00 0.00 N ATOM 832 CA PRO A 54 -10.085 -2.165 3.382 1.00 0.00 C ATOM 833 C PRO A 54 -10.939 -2.993 2.414 1.00 0.00 C ATOM 834 O PRO A 54 -12.152 -2.989 2.486 1.00 0.00 O ATOM 835 CB PRO A 54 -9.560 -0.904 2.679 1.00 0.00 C ATOM 836 CG PRO A 54 -8.012 -0.934 2.746 1.00 0.00 C ATOM 837 CD PRO A 54 -7.599 -2.244 3.429 1.00 0.00 C ATOM 0 HA PRO A 54 -10.723 -1.938 4.236 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.897 -0.876 1.643 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -9.946 -0.007 3.164 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -7.585 -0.874 1.745 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -7.637 -0.077 3.305 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.007 -2.869 2.760 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.988 -2.054 4.312 1.00 0.00 H new ATOM 845 N CYS A 55 -10.321 -3.686 1.500 1.00 0.00 N ATOM 846 CA CYS A 55 -11.106 -4.494 0.517 1.00 0.00 C ATOM 847 C CYS A 55 -11.468 -5.851 1.127 1.00 0.00 C ATOM 848 O CYS A 55 -11.033 -6.197 2.208 1.00 0.00 O ATOM 849 CB CYS A 55 -10.286 -4.718 -0.762 1.00 0.00 C ATOM 850 SG CYS A 55 -9.114 -3.355 -0.997 1.00 0.00 S ATOM 0 H CYS A 55 -9.308 -3.730 1.388 1.00 0.00 H new ATOM 0 HA CYS A 55 -12.017 -3.949 0.270 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -9.748 -5.664 -0.697 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -10.951 -4.788 -1.622 1.00 0.00 H new ATOM 855 N LEU A 56 -12.257 -6.623 0.431 1.00 0.00 N ATOM 856 CA LEU A 56 -12.653 -7.963 0.943 1.00 0.00 C ATOM 857 C LEU A 56 -12.822 -8.917 -0.240 1.00 0.00 C ATOM 858 O LEU A 56 -12.512 -8.588 -1.367 1.00 0.00 O ATOM 859 CB LEU A 56 -13.987 -7.872 1.683 1.00 0.00 C ATOM 860 CG LEU A 56 -13.788 -7.746 3.195 1.00 0.00 C ATOM 861 CD1 LEU A 56 -15.103 -8.101 3.886 1.00 0.00 C ATOM 862 CD2 LEU A 56 -12.701 -8.713 3.672 1.00 0.00 C ATOM 0 H LEU A 56 -12.647 -6.379 -0.479 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.882 -8.324 1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.548 -7.012 1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -14.584 -8.758 1.467 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.485 -6.727 3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.981 -8.017 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -15.884 -7.417 3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -15.384 -9.123 3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.571 -8.612 4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.995 -9.736 3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.762 -8.481 3.170 1.00 0.00 H new ATOM 874 N ASN A 57 -13.327 -10.092 0.010 1.00 0.00 N ATOM 875 CA ASN A 57 -13.530 -11.078 -1.088 1.00 0.00 C ATOM 876 C ASN A 57 -12.266 -11.193 -1.926 1.00 0.00 C ATOM 877 O ASN A 57 -12.289 -11.016 -3.128 1.00 0.00 O ATOM 878 CB ASN A 57 -14.693 -10.636 -1.977 1.00 0.00 C ATOM 879 CG ASN A 57 -16.031 -10.978 -1.307 1.00 0.00 C ATOM 880 OD1 ASN A 57 -17.002 -11.272 -1.975 1.00 0.00 O ATOM 881 ND2 ASN A 57 -16.127 -10.939 -0.009 1.00 0.00 N ATOM 0 H ASN A 57 -13.610 -10.414 0.935 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.759 -12.049 -0.649 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -14.633 -9.563 -2.160 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -14.627 -11.129 -2.947 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -17.015 -11.155 0.443 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -15.314 -10.693 0.555 1.00 0.00 H new ATOM 888 N GLN A 58 -11.168 -11.525 -1.307 1.00 0.00 N ATOM 889 CA GLN A 58 -9.913 -11.692 -2.080 1.00 0.00 C ATOM 890 C GLN A 58 -9.783 -10.528 -3.060 1.00 0.00 C ATOM 891 O GLN A 58 -9.285 -10.669 -4.159 1.00 0.00 O ATOM 892 CB GLN A 58 -9.984 -13.019 -2.846 1.00 0.00 C ATOM 893 CG GLN A 58 -10.953 -13.982 -2.137 1.00 0.00 C ATOM 894 CD GLN A 58 -10.335 -14.447 -0.816 1.00 0.00 C ATOM 895 OE1 GLN A 58 -10.626 -13.899 0.229 1.00 0.00 O ATOM 896 NE2 GLN A 58 -9.489 -15.441 -0.818 1.00 0.00 N ATOM 0 H GLN A 58 -11.088 -11.687 -0.303 1.00 0.00 H new ATOM 0 HA GLN A 58 -9.049 -11.702 -1.416 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -10.317 -12.841 -3.868 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -8.992 -13.467 -2.907 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -11.905 -13.485 -1.950 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -11.161 -14.841 -2.775 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.245 -15.901 -1.695 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.072 -15.758 0.057 1.00 0.00 H new ATOM 905 N GLY A 59 -10.249 -9.379 -2.661 1.00 0.00 N ATOM 906 CA GLY A 59 -10.186 -8.182 -3.549 1.00 0.00 C ATOM 907 C GLY A 59 -8.812 -7.518 -3.445 1.00 0.00 C ATOM 908 O GLY A 59 -8.139 -7.611 -2.438 1.00 0.00 O ATOM 0 H GLY A 59 -10.675 -9.215 -1.749 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.379 -8.475 -4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.963 -7.471 -3.269 1.00 0.00 H new ATOM 912 N HIS A 60 -8.402 -6.830 -4.476 1.00 0.00 N ATOM 913 CA HIS A 60 -7.083 -6.139 -4.435 1.00 0.00 C ATOM 914 C HIS A 60 -7.246 -4.839 -3.648 1.00 0.00 C ATOM 915 O HIS A 60 -8.348 -4.392 -3.406 1.00 0.00 O ATOM 916 CB HIS A 60 -6.624 -5.820 -5.859 1.00 0.00 C ATOM 917 CG HIS A 60 -5.349 -6.561 -6.153 1.00 0.00 C ATOM 918 ND1 HIS A 60 -4.417 -6.848 -5.167 1.00 0.00 N ATOM 919 CD2 HIS A 60 -4.838 -7.082 -7.315 1.00 0.00 C ATOM 920 CE1 HIS A 60 -3.403 -7.513 -5.750 1.00 0.00 C ATOM 921 NE2 HIS A 60 -3.609 -7.682 -7.059 1.00 0.00 N ATOM 0 H HIS A 60 -8.924 -6.717 -5.345 1.00 0.00 H new ATOM 0 HA HIS A 60 -6.340 -6.778 -3.959 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.396 -6.105 -6.574 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -6.467 -4.747 -5.970 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.317 -7.034 -8.282 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -2.529 -7.867 -5.224 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -2.997 -8.150 -7.727 1.00 0.00 H new ATOM 929 N CYS A 61 -6.168 -4.230 -3.236 1.00 0.00 N ATOM 930 CA CYS A 61 -6.293 -2.968 -2.454 1.00 0.00 C ATOM 931 C CYS A 61 -5.317 -1.917 -2.975 1.00 0.00 C ATOM 932 O CYS A 61 -4.120 -2.025 -2.797 1.00 0.00 O ATOM 933 CB CYS A 61 -5.965 -3.241 -0.986 1.00 0.00 C ATOM 934 SG CYS A 61 -5.868 -1.675 -0.073 1.00 0.00 S ATOM 0 H CYS A 61 -5.214 -4.548 -3.405 1.00 0.00 H new ATOM 0 HA CYS A 61 -7.314 -2.601 -2.556 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.730 -3.881 -0.547 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.018 -3.776 -0.909 1.00 0.00 H new ATOM 939 N LYS A 62 -5.821 -0.880 -3.571 1.00 0.00 N ATOM 940 CA LYS A 62 -4.922 0.204 -4.049 1.00 0.00 C ATOM 941 C LYS A 62 -4.592 1.069 -2.835 1.00 0.00 C ATOM 942 O LYS A 62 -5.090 0.824 -1.755 1.00 0.00 O ATOM 943 CB LYS A 62 -5.630 1.046 -5.112 1.00 0.00 C ATOM 944 CG LYS A 62 -4.893 0.906 -6.446 1.00 0.00 C ATOM 945 CD LYS A 62 -5.908 0.710 -7.574 1.00 0.00 C ATOM 946 CE LYS A 62 -5.944 -0.764 -7.980 1.00 0.00 C ATOM 947 NZ LYS A 62 -4.838 -1.041 -8.939 1.00 0.00 N ATOM 0 H LYS A 62 -6.815 -0.734 -3.749 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.018 -0.208 -4.497 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.665 0.720 -5.220 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.655 2.092 -4.806 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.291 1.794 -6.635 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.208 0.059 -6.408 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.897 1.032 -7.247 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.639 1.327 -8.431 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.843 -1.398 -7.099 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.904 -1.003 -8.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.861 -2.043 -9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.954 -0.446 -9.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.926 -0.828 -8.488 1.00 0.00 H new ATOM 974 N GLY A 64 -2.613 5.043 -1.166 1.00 0.00 N ATOM 975 CA GLY A 64 -2.245 6.470 -1.376 1.00 0.00 C ATOM 976 C GLY A 64 -2.360 7.181 -0.027 1.00 0.00 C ATOM 977 O GLY A 64 -2.624 6.556 0.981 1.00 0.00 O ATOM 0 HA2 GLY A 64 -1.230 6.550 -1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.906 6.932 -2.110 1.00 0.00 H new ATOM 981 N ILE A 65 -2.173 8.470 0.021 1.00 0.00 N ATOM 982 CA ILE A 65 -2.289 9.164 1.333 1.00 0.00 C ATOM 983 C ILE A 65 -3.702 9.714 1.510 1.00 0.00 C ATOM 984 O ILE A 65 -4.448 9.261 2.353 1.00 0.00 O ATOM 985 CB ILE A 65 -1.297 10.309 1.426 1.00 0.00 C ATOM 986 CG1 ILE A 65 0.141 9.784 1.305 1.00 0.00 C ATOM 987 CG2 ILE A 65 -1.482 10.994 2.780 1.00 0.00 C ATOM 988 CD1 ILE A 65 0.285 8.480 2.103 1.00 0.00 C ATOM 0 H ILE A 65 -1.949 9.065 -0.777 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.072 8.440 2.119 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.473 11.015 0.614 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.388 9.610 0.258 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.843 10.529 1.678 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.778 11.821 2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.500 11.374 2.859 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.300 10.276 3.579 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.307 8.110 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.056 8.668 3.152 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.406 7.734 1.709 1.00 0.00 H new ATOM 1000 N GLY A 66 -4.080 10.687 0.726 1.00 0.00 N ATOM 1001 CA GLY A 66 -5.449 11.258 0.861 1.00 0.00 C ATOM 1002 C GLY A 66 -6.454 10.119 1.029 1.00 0.00 C ATOM 1003 O GLY A 66 -7.495 10.281 1.634 1.00 0.00 O ATOM 0 H GLY A 66 -3.501 11.110 0.000 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.494 11.928 1.720 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.697 11.851 -0.019 1.00 0.00 H new ATOM 1007 N ASP A 67 -6.135 8.963 0.512 1.00 0.00 N ATOM 1008 CA ASP A 67 -7.056 7.795 0.647 1.00 0.00 C ATOM 1009 C ASP A 67 -6.495 6.604 -0.140 1.00 0.00 C ATOM 1010 O ASP A 67 -5.299 6.442 -0.277 1.00 0.00 O ATOM 1011 CB ASP A 67 -8.454 8.148 0.124 1.00 0.00 C ATOM 1012 CG ASP A 67 -8.463 8.118 -1.408 1.00 0.00 C ATOM 1013 OD1 ASP A 67 -7.414 8.336 -1.991 1.00 0.00 O ATOM 1014 OD2 ASP A 67 -9.520 7.878 -1.969 1.00 0.00 O ATOM 0 H ASP A 67 -5.273 8.776 -0.000 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.135 7.532 1.702 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.186 7.441 0.514 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.745 9.137 0.478 1.00 0.00 H new ATOM 1019 N TYR A 68 -7.357 5.765 -0.646 1.00 0.00 N ATOM 1020 CA TYR A 68 -6.901 4.574 -1.413 1.00 0.00 C ATOM 1021 C TYR A 68 -8.060 4.074 -2.269 1.00 0.00 C ATOM 1022 O TYR A 68 -9.056 4.747 -2.449 1.00 0.00 O ATOM 1023 CB TYR A 68 -6.510 3.468 -0.437 1.00 0.00 C ATOM 1024 CG TYR A 68 -7.652 3.250 0.522 1.00 0.00 C ATOM 1025 CD1 TYR A 68 -7.970 4.251 1.447 1.00 0.00 C ATOM 1026 CD2 TYR A 68 -8.400 2.059 0.490 1.00 0.00 C ATOM 1027 CE1 TYR A 68 -9.019 4.075 2.341 1.00 0.00 C ATOM 1028 CE2 TYR A 68 -9.459 1.883 1.392 1.00 0.00 C ATOM 1029 CZ TYR A 68 -9.768 2.891 2.318 1.00 0.00 C ATOM 1030 OH TYR A 68 -10.811 2.717 3.205 1.00 0.00 O ATOM 0 H TYR A 68 -8.369 5.856 -0.559 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.048 4.840 -2.038 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.288 2.548 -0.977 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.607 3.745 0.107 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.396 5.166 1.466 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.160 1.285 -0.224 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -9.257 4.851 3.054 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.037 0.971 1.374 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.226 1.842 3.054 1.00 0.00 H new ATOM 1040 N THR A 69 -7.946 2.885 -2.772 1.00 0.00 N ATOM 1041 CA THR A 69 -9.032 2.303 -3.588 1.00 0.00 C ATOM 1042 C THR A 69 -9.028 0.799 -3.358 1.00 0.00 C ATOM 1043 O THR A 69 -8.205 0.285 -2.629 1.00 0.00 O ATOM 1044 CB THR A 69 -8.784 2.597 -5.057 1.00 0.00 C ATOM 1045 OG1 THR A 69 -7.442 3.025 -5.239 1.00 0.00 O ATOM 1046 CG2 THR A 69 -9.744 3.686 -5.531 1.00 0.00 C ATOM 0 H THR A 69 -7.132 2.283 -2.649 1.00 0.00 H new ATOM 0 HA THR A 69 -9.994 2.731 -3.306 1.00 0.00 H new ATOM 0 HB THR A 69 -8.953 1.692 -5.640 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.284 3.212 -6.188 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.564 3.896 -6.585 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.772 3.348 -5.398 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.582 4.593 -4.948 1.00 0.00 H new ATOM 1054 N CYS A 70 -9.917 0.080 -3.970 1.00 0.00 N ATOM 1055 CA CYS A 70 -9.921 -1.380 -3.779 1.00 0.00 C ATOM 1056 C CYS A 70 -10.247 -2.036 -5.117 1.00 0.00 C ATOM 1057 O CYS A 70 -10.300 -1.387 -6.143 1.00 0.00 O ATOM 1058 CB CYS A 70 -10.977 -1.780 -2.750 1.00 0.00 C ATOM 1059 SG CYS A 70 -10.266 -1.701 -1.091 1.00 0.00 S ATOM 0 H CYS A 70 -10.639 0.443 -4.593 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.945 -1.704 -3.418 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -11.838 -1.115 -2.820 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -11.336 -2.789 -2.955 1.00 0.00 H new ATOM 1064 N THR A 71 -10.475 -3.308 -5.111 1.00 0.00 N ATOM 1065 CA THR A 71 -10.811 -4.016 -6.381 1.00 0.00 C ATOM 1066 C THR A 71 -11.486 -5.348 -6.054 1.00 0.00 C ATOM 1067 O THR A 71 -11.109 -6.032 -5.123 1.00 0.00 O ATOM 1068 CB THR A 71 -9.532 -4.271 -7.180 1.00 0.00 C ATOM 1069 OG1 THR A 71 -8.700 -3.121 -7.124 1.00 0.00 O ATOM 1070 CG2 THR A 71 -9.888 -4.576 -8.630 1.00 0.00 C ATOM 0 H THR A 71 -10.445 -3.899 -4.281 1.00 0.00 H new ATOM 0 HA THR A 71 -11.488 -3.400 -6.973 1.00 0.00 H new ATOM 0 HB THR A 71 -9.001 -5.122 -6.753 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.256 -2.314 -7.135 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.976 -4.757 -9.198 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.523 -5.461 -8.670 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.421 -3.728 -9.060 1.00 0.00 H new ATOM 1078 N CYS A 72 -12.479 -5.726 -6.810 1.00 0.00 N ATOM 1079 CA CYS A 72 -13.169 -7.016 -6.533 1.00 0.00 C ATOM 1080 C CYS A 72 -12.754 -8.050 -7.584 1.00 0.00 C ATOM 1081 O CYS A 72 -12.641 -7.746 -8.754 1.00 0.00 O ATOM 1082 CB CYS A 72 -14.684 -6.810 -6.589 1.00 0.00 C ATOM 1083 SG CYS A 72 -15.151 -5.458 -5.481 1.00 0.00 S ATOM 0 H CYS A 72 -12.841 -5.199 -7.605 1.00 0.00 H new ATOM 0 HA CYS A 72 -12.890 -7.372 -5.541 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -14.993 -6.582 -7.609 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -15.197 -7.727 -6.298 1.00 0.00 H new ATOM 1088 N ALA A 73 -12.525 -9.272 -7.179 1.00 0.00 N ATOM 1089 CA ALA A 73 -12.118 -10.316 -8.159 1.00 0.00 C ATOM 1090 C ALA A 73 -13.304 -10.680 -9.042 1.00 0.00 C ATOM 1091 O ALA A 73 -14.412 -10.229 -8.832 1.00 0.00 O ATOM 1092 CB ALA A 73 -11.673 -11.568 -7.417 1.00 0.00 C ATOM 0 H ALA A 73 -12.603 -9.590 -6.213 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.301 -9.928 -8.768 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.376 -12.331 -8.136 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.828 -11.328 -6.772 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.497 -11.943 -6.810 1.00 0.00 H new ATOM 1098 N GLU A 74 -13.089 -11.521 -10.013 1.00 0.00 N ATOM 1099 CA GLU A 74 -14.183 -11.942 -10.876 1.00 0.00 C ATOM 1100 C GLU A 74 -14.949 -13.021 -10.151 1.00 0.00 C ATOM 1101 O GLU A 74 -14.557 -14.168 -10.064 1.00 0.00 O ATOM 1102 CB GLU A 74 -13.622 -12.468 -12.172 1.00 0.00 C ATOM 1103 CG GLU A 74 -14.729 -13.173 -12.914 1.00 0.00 C ATOM 1104 CD GLU A 74 -14.641 -12.862 -14.409 1.00 0.00 C ATOM 1105 OE1 GLU A 74 -14.018 -11.871 -14.752 1.00 0.00 O ATOM 1106 OE2 GLU A 74 -15.199 -13.619 -15.186 1.00 0.00 O ATOM 0 H GLU A 74 -12.182 -11.931 -10.235 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.846 -11.108 -11.106 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.222 -11.651 -12.773 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.797 -13.154 -11.978 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.657 -14.249 -12.754 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.697 -12.857 -12.525 1.00 0.00 H new ATOM 1113 N GLY A 75 -16.033 -12.619 -9.628 1.00 0.00 N ATOM 1114 CA GLY A 75 -16.913 -13.537 -8.862 1.00 0.00 C ATOM 1115 C GLY A 75 -17.282 -12.916 -7.526 1.00 0.00 C ATOM 1116 O GLY A 75 -17.846 -13.563 -6.670 1.00 0.00 O ATOM 0 H GLY A 75 -16.376 -11.660 -9.691 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.816 -13.749 -9.435 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.406 -14.489 -8.701 1.00 0.00 H new ATOM 1120 N PHE A 76 -16.947 -11.681 -7.312 1.00 0.00 N ATOM 1121 CA PHE A 76 -17.269 -11.073 -6.008 1.00 0.00 C ATOM 1122 C PHE A 76 -17.959 -9.722 -6.212 1.00 0.00 C ATOM 1123 O PHE A 76 -18.018 -9.207 -7.311 1.00 0.00 O ATOM 1124 CB PHE A 76 -15.977 -10.933 -5.241 1.00 0.00 C ATOM 1125 CG PHE A 76 -15.358 -12.308 -5.149 1.00 0.00 C ATOM 1126 CD1 PHE A 76 -14.816 -12.923 -6.287 1.00 0.00 C ATOM 1127 CD2 PHE A 76 -15.310 -12.959 -3.919 1.00 0.00 C ATOM 1128 CE1 PHE A 76 -14.222 -14.187 -6.179 1.00 0.00 C ATOM 1129 CE2 PHE A 76 -14.725 -14.211 -3.808 1.00 0.00 C ATOM 1130 CZ PHE A 76 -14.172 -14.831 -4.935 1.00 0.00 C ATOM 0 H PHE A 76 -16.469 -11.074 -7.978 1.00 0.00 H new ATOM 0 HA PHE A 76 -17.961 -11.698 -5.443 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -15.303 -10.241 -5.746 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -16.163 -10.528 -4.246 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -14.856 -12.424 -7.244 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -15.732 -12.485 -3.045 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -13.803 -14.664 -7.053 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -14.696 -14.709 -2.850 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.708 -15.802 -4.846 1.00 0.00 H new ATOM 1140 N GLU A 77 -18.502 -9.153 -5.171 1.00 0.00 N ATOM 1141 CA GLU A 77 -19.209 -7.843 -5.329 1.00 0.00 C ATOM 1142 C GLU A 77 -19.332 -7.148 -3.975 1.00 0.00 C ATOM 1143 O GLU A 77 -18.996 -7.706 -2.956 1.00 0.00 O ATOM 1144 CB GLU A 77 -20.614 -8.089 -5.886 1.00 0.00 C ATOM 1145 CG GLU A 77 -20.704 -7.547 -7.314 1.00 0.00 C ATOM 1146 CD GLU A 77 -22.041 -7.959 -7.933 1.00 0.00 C ATOM 1147 OE1 GLU A 77 -22.705 -8.803 -7.352 1.00 0.00 O ATOM 1148 OE2 GLU A 77 -22.378 -7.425 -8.977 1.00 0.00 O ATOM 0 H GLU A 77 -18.489 -9.532 -4.224 1.00 0.00 H new ATOM 0 HA GLU A 77 -18.638 -7.213 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -20.838 -9.156 -5.877 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -21.357 -7.602 -5.254 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -20.613 -6.461 -7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -19.879 -7.933 -7.913 1.00 0.00 H new ATOM 1155 N GLY A 78 -19.830 -5.938 -3.957 1.00 0.00 N ATOM 1156 CA GLY A 78 -19.993 -5.213 -2.662 1.00 0.00 C ATOM 1157 C GLY A 78 -19.033 -4.025 -2.600 1.00 0.00 C ATOM 1158 O GLY A 78 -18.146 -3.887 -3.418 1.00 0.00 O ATOM 0 H GLY A 78 -20.131 -5.421 -4.783 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -21.021 -4.866 -2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -19.800 -5.890 -1.830 1.00 0.00 H new ATOM 1162 N LYS A 79 -19.199 -3.167 -1.628 1.00 0.00 N ATOM 1163 CA LYS A 79 -18.289 -1.998 -1.508 1.00 0.00 C ATOM 1164 C LYS A 79 -16.864 -2.508 -1.407 1.00 0.00 C ATOM 1165 O LYS A 79 -16.001 -2.174 -2.195 1.00 0.00 O ATOM 1166 CB LYS A 79 -18.643 -1.201 -0.260 1.00 0.00 C ATOM 1167 CG LYS A 79 -18.325 0.276 -0.490 1.00 0.00 C ATOM 1168 CD LYS A 79 -16.833 0.446 -0.779 1.00 0.00 C ATOM 1169 CE LYS A 79 -16.553 1.895 -1.180 1.00 0.00 C ATOM 1170 NZ LYS A 79 -15.107 2.195 -0.985 1.00 0.00 N ATOM 0 H LYS A 79 -19.925 -3.228 -0.915 1.00 0.00 H new ATOM 0 HA LYS A 79 -18.391 -1.350 -2.379 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -19.700 -1.324 -0.025 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -18.081 -1.576 0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -18.912 0.658 -1.325 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -18.603 0.858 0.388 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -16.249 0.182 0.102 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -16.527 -0.229 -1.578 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -16.831 2.055 -2.222 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -17.160 2.573 -0.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.917 3.180 -1.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.856 2.058 0.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.537 1.556 -1.576 1.00 0.00 H new ATOM 1184 N ASN A 80 -16.636 -3.347 -0.456 1.00 0.00 N ATOM 1185 CA ASN A 80 -15.285 -3.946 -0.284 1.00 0.00 C ATOM 1186 C ASN A 80 -15.326 -5.332 -0.901 1.00 0.00 C ATOM 1187 O ASN A 80 -14.629 -6.227 -0.487 1.00 0.00 O ATOM 1188 CB ASN A 80 -14.957 -4.080 1.209 1.00 0.00 C ATOM 1189 CG ASN A 80 -15.569 -2.913 1.981 1.00 0.00 C ATOM 1190 OD1 ASN A 80 -15.868 -1.880 1.415 1.00 0.00 O ATOM 1191 ND2 ASN A 80 -15.769 -3.037 3.264 1.00 0.00 N ATOM 0 H ASN A 80 -17.332 -3.653 0.224 1.00 0.00 H new ATOM 0 HA ASN A 80 -14.529 -3.319 -0.757 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -15.344 -5.024 1.592 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -13.877 -4.096 1.353 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -16.177 -2.266 3.793 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -15.518 -3.905 3.738 1.00 0.00 H new ATOM 1198 N CYS A 81 -16.179 -5.541 -1.859 1.00 0.00 N ATOM 1199 CA CYS A 81 -16.282 -6.900 -2.430 1.00 0.00 C ATOM 1200 C CYS A 81 -16.578 -7.816 -1.245 1.00 0.00 C ATOM 1201 O CYS A 81 -15.725 -8.531 -0.768 1.00 0.00 O ATOM 1202 CB CYS A 81 -14.963 -7.307 -3.094 1.00 0.00 C ATOM 1203 SG CYS A 81 -14.138 -5.846 -3.777 1.00 0.00 S ATOM 0 H CYS A 81 -16.799 -4.840 -2.264 1.00 0.00 H new ATOM 0 HA CYS A 81 -17.056 -6.957 -3.196 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -14.315 -7.794 -2.366 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -15.153 -8.031 -3.886 1.00 0.00 H new ATOM 1208 N GLU A 82 -17.767 -7.735 -0.719 1.00 0.00 N ATOM 1209 CA GLU A 82 -18.115 -8.538 0.476 1.00 0.00 C ATOM 1210 C GLU A 82 -19.080 -9.666 0.095 1.00 0.00 C ATOM 1211 O GLU A 82 -19.078 -10.723 0.694 1.00 0.00 O ATOM 1212 CB GLU A 82 -18.757 -7.584 1.489 1.00 0.00 C ATOM 1213 CG GLU A 82 -19.481 -8.358 2.580 1.00 0.00 C ATOM 1214 CD GLU A 82 -18.725 -8.206 3.902 1.00 0.00 C ATOM 1215 OE1 GLU A 82 -18.677 -7.098 4.409 1.00 0.00 O ATOM 1216 OE2 GLU A 82 -18.207 -9.200 4.383 1.00 0.00 O ATOM 0 H GLU A 82 -18.517 -7.140 -1.072 1.00 0.00 H new ATOM 0 HA GLU A 82 -17.229 -9.005 0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.990 -6.951 1.935 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -19.459 -6.924 0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -20.501 -7.988 2.687 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -19.551 -9.411 2.308 1.00 0.00 H new ATOM 1223 N PHE A 83 -19.905 -9.454 -0.891 1.00 0.00 N ATOM 1224 CA PHE A 83 -20.869 -10.519 -1.299 1.00 0.00 C ATOM 1225 C PHE A 83 -20.215 -11.455 -2.309 1.00 0.00 C ATOM 1226 O PHE A 83 -20.420 -11.337 -3.501 1.00 0.00 O ATOM 1227 CB PHE A 83 -22.112 -9.907 -1.948 1.00 0.00 C ATOM 1228 CG PHE A 83 -22.363 -8.532 -1.409 1.00 0.00 C ATOM 1229 CD1 PHE A 83 -22.074 -8.240 -0.077 1.00 0.00 C ATOM 1230 CD2 PHE A 83 -22.905 -7.557 -2.245 1.00 0.00 C ATOM 1231 CE1 PHE A 83 -22.325 -6.961 0.422 1.00 0.00 C ATOM 1232 CE2 PHE A 83 -23.160 -6.281 -1.752 1.00 0.00 C ATOM 1233 CZ PHE A 83 -22.871 -5.977 -0.414 1.00 0.00 C ATOM 0 H PHE A 83 -19.955 -8.591 -1.433 1.00 0.00 H new ATOM 0 HA PHE A 83 -21.158 -11.069 -0.403 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -21.980 -9.862 -3.029 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -22.978 -10.542 -1.759 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -21.657 -9.001 0.567 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -23.127 -7.792 -3.275 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -22.099 -6.729 1.452 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -23.580 -5.525 -2.399 1.00 0.00 H new ATOM 0 HZ PHE A 83 -23.068 -4.988 -0.029 1.00 0.00 H new ATOM 1243 N SER A 84 -19.445 -12.393 -1.847 1.00 0.00 N ATOM 1244 CA SER A 84 -18.799 -13.345 -2.796 1.00 0.00 C ATOM 1245 C SER A 84 -19.891 -13.995 -3.652 1.00 0.00 C ATOM 1246 O SER A 84 -20.669 -14.795 -3.171 1.00 0.00 O ATOM 1247 CB SER A 84 -18.045 -14.426 -2.017 1.00 0.00 C ATOM 1248 OG SER A 84 -18.322 -14.292 -0.630 1.00 0.00 O ATOM 0 H SER A 84 -19.233 -12.545 -0.861 1.00 0.00 H new ATOM 0 HA SER A 84 -18.091 -12.812 -3.431 1.00 0.00 H new ATOM 0 HB2 SER A 84 -18.344 -15.415 -2.364 1.00 0.00 H new ATOM 0 HB3 SER A 84 -16.973 -14.336 -2.195 1.00 0.00 H new ATOM 0 HG SER A 84 -17.841 -14.985 -0.132 1.00 0.00 H new ATOM 1254 N THR A 85 -19.968 -13.652 -4.911 1.00 0.00 N ATOM 1255 CA THR A 85 -21.027 -14.249 -5.777 1.00 0.00 C ATOM 1256 C THR A 85 -20.547 -15.579 -6.344 1.00 0.00 C ATOM 1257 O THR A 85 -21.305 -16.347 -6.903 1.00 0.00 O ATOM 1258 CB THR A 85 -21.359 -13.282 -6.911 1.00 0.00 C ATOM 1259 OG1 THR A 85 -20.396 -13.385 -7.954 1.00 0.00 O ATOM 1260 CG2 THR A 85 -21.352 -11.881 -6.334 1.00 0.00 C ATOM 0 H THR A 85 -19.348 -12.988 -5.375 1.00 0.00 H new ATOM 0 HA THR A 85 -21.923 -14.427 -5.183 1.00 0.00 H new ATOM 0 HB THR A 85 -22.335 -13.520 -7.335 1.00 0.00 H new ATOM 0 HG1 THR A 85 -20.625 -12.760 -8.673 1.00 0.00 H new ATOM 0 HG21 THR A 85 -21.586 -11.163 -7.120 1.00 0.00 H new ATOM 0 HG22 THR A 85 -22.098 -11.810 -5.543 1.00 0.00 H new ATOM 0 HG23 THR A 85 -20.366 -11.661 -5.924 1.00 0.00 H new ATOM 1268 N ARG A 86 -19.287 -15.851 -6.201 1.00 0.00 N ATOM 1269 CA ARG A 86 -18.731 -17.128 -6.727 1.00 0.00 C ATOM 1270 C ARG A 86 -19.535 -18.304 -6.166 1.00 0.00 C ATOM 1271 O ARG A 86 -19.173 -19.434 -6.448 1.00 0.00 O ATOM 1272 CB ARG A 86 -17.262 -17.259 -6.309 1.00 0.00 C ATOM 1273 CG ARG A 86 -17.176 -17.654 -4.832 1.00 0.00 C ATOM 1274 CD ARG A 86 -15.713 -17.666 -4.391 1.00 0.00 C ATOM 1275 NE ARG A 86 -15.209 -19.087 -4.366 1.00 0.00 N ATOM 1276 CZ ARG A 86 -15.873 -20.026 -3.742 1.00 0.00 C ATOM 1277 NH1 ARG A 86 -16.882 -19.728 -2.967 1.00 0.00 N ATOM 1278 NH2 ARG A 86 -15.488 -21.268 -3.852 1.00 0.00 N ATOM 1279 OXT ARG A 86 -20.501 -18.053 -5.463 1.00 0.00 O ATOM 0 H ARG A 86 -18.611 -15.242 -5.740 1.00 0.00 H new ATOM 0 HA ARG A 86 -18.796 -17.133 -7.815 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -16.765 -18.008 -6.925 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -16.742 -16.315 -6.473 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -17.744 -16.951 -4.223 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -17.620 -18.638 -4.681 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -15.111 -17.067 -5.074 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.616 -17.217 -3.403 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.338 -19.320 -4.843 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -17.160 -18.754 -2.843 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -17.392 -20.469 -2.486 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.675 -21.501 -4.421 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.001 -22.006 -3.369 1.00 0.00 H new