USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 454 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 39 CYS SG : rot 68:sc= -3.94! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.135 K(o=-0.13,f=-1.6!) USER MOD Single : A 77 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.015) USER MOD Single : A 78 CYS SG : rot -40:sc= -7.16! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -177:sc= 0.301 (180deg=0.298) USER MOD Single : A 97 TYR OH : rot 30:sc= -0.728 USER MOD ----------------------------------------------------------------- ATOM 351 N GLU A 21 6.834 -0.373 -4.435 1.00 1.00 N ATOM 352 CA GLU A 21 5.391 -0.686 -4.166 1.00 1.00 C ATOM 353 C GLU A 21 5.287 -1.672 -2.989 1.00 1.00 C ATOM 354 O GLU A 21 5.366 -2.877 -3.162 1.00 1.00 O ATOM 355 CB GLU A 21 4.747 -1.290 -5.423 1.00 1.00 C ATOM 356 CG GLU A 21 4.003 -0.195 -6.199 1.00 1.00 C ATOM 357 CD GLU A 21 5.008 0.691 -6.946 1.00 1.00 C ATOM 358 OE1 GLU A 21 5.454 1.668 -6.366 1.00 1.00 O ATOM 359 OE2 GLU A 21 5.311 0.380 -8.087 1.00 1.00 O ATOM 0 HA GLU A 21 4.863 0.232 -3.907 1.00 1.00 H new ATOM 0 HB2 GLU A 21 5.512 -1.741 -6.055 1.00 1.00 H new ATOM 0 HB3 GLU A 21 4.056 -2.085 -5.143 1.00 1.00 H new ATOM 0 HG2 GLU A 21 3.308 -0.647 -6.906 1.00 1.00 H new ATOM 0 HG3 GLU A 21 3.411 0.411 -5.513 1.00 1.00 H new ATOM 366 N ILE A 22 5.115 -1.164 -1.790 1.00 1.00 N ATOM 367 CA ILE A 22 5.013 -2.059 -0.591 1.00 1.00 C ATOM 368 C ILE A 22 3.548 -2.153 -0.161 1.00 1.00 C ATOM 369 O ILE A 22 2.741 -1.325 -0.553 1.00 1.00 O ATOM 370 CB ILE A 22 5.872 -1.509 0.559 1.00 1.00 C ATOM 371 CG1 ILE A 22 6.239 -0.027 0.323 1.00 1.00 C ATOM 372 CG2 ILE A 22 7.149 -2.337 0.653 1.00 1.00 C ATOM 373 CD1 ILE A 22 7.390 0.096 -0.687 1.00 1.00 C ATOM 0 H ILE A 22 5.041 -0.167 -1.590 1.00 1.00 H new ATOM 0 HA ILE A 22 5.381 -3.053 -0.847 1.00 1.00 H new ATOM 0 HB ILE A 22 5.302 -1.574 1.486 1.00 1.00 H new ATOM 0 HG12 ILE A 22 5.367 0.514 -0.045 1.00 1.00 H new ATOM 0 HG13 ILE A 22 6.527 0.436 1.267 1.00 1.00 H new ATOM 0 HG21 ILE A 22 7.769 -1.958 1.465 1.00 1.00 H new ATOM 0 HG22 ILE A 22 6.894 -3.379 0.847 1.00 1.00 H new ATOM 0 HG23 ILE A 22 7.698 -2.267 -0.286 1.00 1.00 H new ATOM 0 HD11 ILE A 22 7.631 1.148 -0.837 1.00 1.00 H new ATOM 0 HD12 ILE A 22 8.267 -0.426 -0.305 1.00 1.00 H new ATOM 0 HD13 ILE A 22 7.090 -0.347 -1.637 1.00 1.00 H new ATOM 385 N LEU A 23 3.167 -3.148 0.627 1.00 1.00 N ATOM 386 CA LEU A 23 1.705 -3.215 1.017 1.00 1.00 C ATOM 387 C LEU A 23 1.575 -2.980 2.514 1.00 1.00 C ATOM 388 O LEU A 23 2.147 -3.706 3.291 1.00 1.00 O ATOM 389 CB LEU A 23 1.101 -4.573 0.625 1.00 1.00 C ATOM 390 CG LEU A 23 1.960 -5.727 1.155 1.00 1.00 C ATOM 391 CD1 LEU A 23 1.051 -6.799 1.765 1.00 1.00 C ATOM 392 CD2 LEU A 23 2.760 -6.340 0.001 1.00 1.00 C ATOM 0 H LEU A 23 3.769 -3.882 1.001 1.00 1.00 H new ATOM 0 HA LEU A 23 1.154 -2.440 0.483 1.00 1.00 H new ATOM 0 HB2 LEU A 23 0.090 -4.654 1.023 1.00 1.00 H new ATOM 0 HB3 LEU A 23 1.023 -4.641 -0.460 1.00 1.00 H new ATOM 0 HG LEU A 23 2.645 -5.351 1.915 1.00 1.00 H new ATOM 0 HD11 LEU A 23 1.660 -7.621 2.142 1.00 1.00 H new ATOM 0 HD12 LEU A 23 0.477 -6.366 2.585 1.00 1.00 H new ATOM 0 HD13 LEU A 23 0.368 -7.174 1.003 1.00 1.00 H new ATOM 0 HD21 LEU A 23 3.371 -7.161 0.377 1.00 1.00 H new ATOM 0 HD22 LEU A 23 2.074 -6.717 -0.758 1.00 1.00 H new ATOM 0 HD23 LEU A 23 3.405 -5.579 -0.439 1.00 1.00 H new ATOM 404 N GLY A 24 0.867 -1.965 2.944 1.00 1.00 N ATOM 405 CA GLY A 24 0.791 -1.706 4.416 1.00 1.00 C ATOM 406 C GLY A 24 -0.642 -1.703 4.947 1.00 1.00 C ATOM 407 O GLY A 24 -1.602 -1.533 4.220 1.00 1.00 O ATOM 0 H GLY A 24 0.348 -1.316 2.353 1.00 1.00 H new ATOM 0 HA2 GLY A 24 1.367 -2.466 4.944 1.00 1.00 H new ATOM 0 HA3 GLY A 24 1.256 -0.745 4.635 1.00 1.00 H new ATOM 411 N ILE A 25 -0.757 -1.860 6.241 1.00 1.00 N ATOM 412 CA ILE A 25 -2.079 -1.836 6.933 1.00 1.00 C ATOM 413 C ILE A 25 -1.985 -0.748 8.012 1.00 1.00 C ATOM 414 O ILE A 25 -0.965 -0.624 8.681 1.00 1.00 O ATOM 415 CB ILE A 25 -2.377 -3.202 7.571 1.00 1.00 C ATOM 416 CG1 ILE A 25 -1.208 -3.637 8.469 1.00 1.00 C ATOM 417 CG2 ILE A 25 -2.582 -4.242 6.466 1.00 1.00 C ATOM 418 CD1 ILE A 25 -1.696 -3.786 9.914 1.00 1.00 C ATOM 0 H ILE A 25 0.037 -2.008 6.864 1.00 1.00 H new ATOM 0 HA ILE A 25 -2.886 -1.626 6.232 1.00 1.00 H new ATOM 0 HB ILE A 25 -3.279 -3.121 8.178 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -0.796 -4.582 8.115 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -0.405 -2.901 8.420 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -2.794 -5.213 6.915 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -3.420 -3.943 5.836 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -1.679 -4.312 5.860 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -0.865 -4.095 10.549 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -2.087 -2.831 10.266 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -2.484 -4.538 9.956 1.00 1.00 H new ATOM 430 N ILE A 26 -3.005 0.065 8.167 1.00 1.00 N ATOM 431 CA ILE A 26 -2.919 1.169 9.176 1.00 1.00 C ATOM 432 C ILE A 26 -3.616 0.823 10.481 1.00 1.00 C ATOM 433 O ILE A 26 -4.556 0.036 10.540 1.00 1.00 O ATOM 434 CB ILE A 26 -3.542 2.473 8.659 1.00 1.00 C ATOM 435 CG1 ILE A 26 -4.927 2.201 8.040 1.00 1.00 C ATOM 436 CG2 ILE A 26 -2.609 3.131 7.651 1.00 1.00 C ATOM 437 CD1 ILE A 26 -4.803 1.869 6.554 1.00 1.00 C ATOM 0 H ILE A 26 -3.881 0.013 7.647 1.00 1.00 H new ATOM 0 HA ILE A 26 -1.851 1.302 9.351 1.00 1.00 H new ATOM 0 HB ILE A 26 -3.680 3.157 9.496 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -5.408 1.374 8.563 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -5.566 3.075 8.170 1.00 1.00 H new ATOM 0 HG21 ILE A 26 -3.058 4.056 7.289 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -1.655 3.354 8.130 1.00 1.00 H new ATOM 0 HG23 ILE A 26 -2.445 2.455 6.812 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -5.793 1.681 6.139 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -4.344 2.708 6.031 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -4.183 0.981 6.430 1.00 1.00 H new ATOM 449 N GLU A 27 -3.147 1.479 11.512 1.00 1.00 N ATOM 450 CA GLU A 27 -3.704 1.324 12.885 1.00 1.00 C ATOM 451 C GLU A 27 -3.719 2.708 13.555 1.00 1.00 C ATOM 452 O GLU A 27 -2.712 3.405 13.583 1.00 1.00 O ATOM 453 CB GLU A 27 -2.818 0.370 13.695 1.00 1.00 C ATOM 454 CG GLU A 27 -3.570 -0.938 13.958 1.00 1.00 C ATOM 455 CD GLU A 27 -2.788 -1.784 14.967 1.00 1.00 C ATOM 456 OE1 GLU A 27 -1.904 -2.512 14.544 1.00 1.00 O ATOM 457 OE2 GLU A 27 -3.086 -1.690 16.147 1.00 1.00 O ATOM 0 H GLU A 27 -2.372 2.139 11.452 1.00 1.00 H new ATOM 0 HA GLU A 27 -4.713 0.915 12.840 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -1.895 0.167 13.152 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -2.536 0.835 14.640 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -4.568 -0.725 14.342 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -3.698 -1.490 13.027 1.00 1.00 H new ATOM 545 N ARG A 34 -1.001 11.515 11.501 1.00 1.00 N ATOM 546 CA ARG A 34 -0.292 10.322 10.951 1.00 1.00 C ATOM 547 C ARG A 34 -0.678 9.073 11.760 1.00 1.00 C ATOM 548 O ARG A 34 -1.131 9.163 12.888 1.00 1.00 O ATOM 549 CB ARG A 34 1.222 10.543 11.036 1.00 1.00 C ATOM 550 CG ARG A 34 1.650 11.572 9.986 1.00 1.00 C ATOM 551 CD ARG A 34 2.961 12.229 10.419 1.00 1.00 C ATOM 552 NE ARG A 34 3.305 13.327 9.470 1.00 1.00 N ATOM 553 CZ ARG A 34 3.219 14.574 9.855 1.00 1.00 C ATOM 554 NH1 ARG A 34 4.214 15.128 10.498 1.00 1.00 N ATOM 555 NH2 ARG A 34 2.141 15.265 9.593 1.00 1.00 N ATOM 0 HA ARG A 34 -0.579 10.178 9.909 1.00 1.00 H new ATOM 0 HB2 ARG A 34 1.494 10.891 12.033 1.00 1.00 H new ATOM 0 HB3 ARG A 34 1.747 9.602 10.873 1.00 1.00 H new ATOM 0 HG2 ARG A 34 1.776 11.088 9.018 1.00 1.00 H new ATOM 0 HG3 ARG A 34 0.874 12.328 9.866 1.00 1.00 H new ATOM 0 HD2 ARG A 34 2.865 12.625 11.430 1.00 1.00 H new ATOM 0 HD3 ARG A 34 3.761 11.489 10.441 1.00 1.00 H new ATOM 0 HE ARG A 34 3.607 13.106 8.521 1.00 1.00 H new ATOM 0 HH11 ARG A 34 5.056 14.588 10.699 1.00 1.00 H new ATOM 0 HH12 ARG A 34 4.148 16.100 10.799 1.00 1.00 H new ATOM 0 HH21 ARG A 34 1.368 14.832 9.089 1.00 1.00 H new ATOM 0 HH22 ARG A 34 2.073 16.238 9.893 1.00 1.00 H new ATOM 569 N VAL A 35 -0.503 7.912 11.180 1.00 1.00 N ATOM 570 CA VAL A 35 -0.854 6.633 11.881 1.00 1.00 C ATOM 571 C VAL A 35 0.345 5.703 11.916 1.00 1.00 C ATOM 572 O VAL A 35 1.344 5.910 11.249 1.00 1.00 O ATOM 573 CB VAL A 35 -2.000 5.897 11.194 1.00 1.00 C ATOM 574 CG1 VAL A 35 -3.299 6.652 11.422 1.00 1.00 C ATOM 575 CG2 VAL A 35 -1.715 5.765 9.704 1.00 1.00 C ATOM 0 H VAL A 35 -0.127 7.792 10.239 1.00 1.00 H new ATOM 0 HA VAL A 35 -1.162 6.907 12.890 1.00 1.00 H new ATOM 0 HB VAL A 35 -2.094 4.897 11.618 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -4.117 6.125 10.931 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -3.499 6.717 12.491 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -3.214 7.657 11.008 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -2.538 5.238 9.221 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -1.611 6.757 9.264 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -0.791 5.205 9.558 1.00 1.00 H new ATOM 585 N ARG A 36 0.224 4.659 12.677 1.00 1.00 N ATOM 586 CA ARG A 36 1.333 3.651 12.765 1.00 1.00 C ATOM 587 C ARG A 36 0.990 2.519 11.809 1.00 1.00 C ATOM 588 O ARG A 36 -0.120 2.011 11.819 1.00 1.00 O ATOM 589 CB ARG A 36 1.474 3.098 14.189 1.00 1.00 C ATOM 590 CG ARG A 36 0.107 3.056 14.885 1.00 1.00 C ATOM 591 CD ARG A 36 0.184 2.160 16.122 1.00 1.00 C ATOM 592 NE ARG A 36 0.135 0.728 15.709 1.00 1.00 N ATOM 593 CZ ARG A 36 0.544 -0.203 16.530 1.00 1.00 C ATOM 594 NH1 ARG A 36 1.823 -0.437 16.666 1.00 1.00 N ATOM 595 NH2 ARG A 36 -0.326 -0.897 17.215 1.00 1.00 N ATOM 0 H ARG A 36 -0.595 4.450 13.248 1.00 1.00 H new ATOM 0 HA ARG A 36 2.281 4.122 12.503 1.00 1.00 H new ATOM 0 HB2 ARG A 36 1.903 2.097 14.156 1.00 1.00 H new ATOM 0 HB3 ARG A 36 2.161 3.721 14.761 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -0.196 4.063 15.172 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -0.650 2.679 14.198 1.00 1.00 H new ATOM 0 HD2 ARG A 36 1.105 2.359 16.670 1.00 1.00 H new ATOM 0 HD3 ARG A 36 -0.643 2.383 16.796 1.00 1.00 H new ATOM 0 HE ARG A 36 -0.218 0.475 14.786 1.00 1.00 H new ATOM 0 HH11 ARG A 36 2.501 0.107 16.132 1.00 1.00 H new ATOM 0 HH12 ARG A 36 2.143 -1.163 17.306 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -1.323 -0.712 17.109 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -0.008 -1.624 17.856 1.00 1.00 H new ATOM 609 N VAL A 37 1.899 2.158 10.936 1.00 1.00 N ATOM 610 CA VAL A 37 1.581 1.125 9.945 1.00 1.00 C ATOM 611 C VAL A 37 2.663 0.056 9.874 1.00 1.00 C ATOM 612 O VAL A 37 3.842 0.305 10.064 1.00 1.00 O ATOM 613 CB VAL A 37 1.483 1.837 8.598 1.00 1.00 C ATOM 614 CG1 VAL A 37 2.000 0.948 7.478 1.00 1.00 C ATOM 615 CG2 VAL A 37 0.036 2.222 8.333 1.00 1.00 C ATOM 0 H VAL A 37 2.842 2.543 10.880 1.00 1.00 H new ATOM 0 HA VAL A 37 0.653 0.621 10.217 1.00 1.00 H new ATOM 0 HB VAL A 37 2.099 2.735 8.630 1.00 1.00 H new ATOM 0 HG11 VAL A 37 1.920 1.476 6.528 1.00 1.00 H new ATOM 0 HG12 VAL A 37 3.043 0.695 7.666 1.00 1.00 H new ATOM 0 HG13 VAL A 37 1.407 0.034 7.436 1.00 1.00 H new ATOM 0 HG21 VAL A 37 -0.035 2.730 7.371 1.00 1.00 H new ATOM 0 HG22 VAL A 37 -0.582 1.324 8.315 1.00 1.00 H new ATOM 0 HG23 VAL A 37 -0.314 2.888 9.122 1.00 1.00 H new ATOM 625 N ARG A 38 2.248 -1.111 9.494 1.00 1.00 N ATOM 626 CA ARG A 38 3.206 -2.232 9.271 1.00 1.00 C ATOM 627 C ARG A 38 2.940 -2.724 7.867 1.00 1.00 C ATOM 628 O ARG A 38 1.835 -2.606 7.363 1.00 1.00 O ATOM 629 CB ARG A 38 3.016 -3.373 10.254 1.00 1.00 C ATOM 630 CG ARG A 38 4.382 -3.863 10.741 1.00 1.00 C ATOM 631 CD ARG A 38 4.344 -5.380 10.940 1.00 1.00 C ATOM 632 NE ARG A 38 5.274 -5.761 12.041 1.00 1.00 N ATOM 633 CZ ARG A 38 4.800 -6.199 13.177 1.00 1.00 C ATOM 634 NH1 ARG A 38 4.583 -7.477 13.345 1.00 1.00 N ATOM 635 NH2 ARG A 38 4.542 -5.358 14.144 1.00 1.00 N ATOM 0 H ARG A 38 1.270 -1.346 9.324 1.00 1.00 H new ATOM 0 HA ARG A 38 4.228 -1.880 9.414 1.00 1.00 H new ATOM 0 HB2 ARG A 38 2.414 -3.041 11.100 1.00 1.00 H new ATOM 0 HB3 ARG A 38 2.474 -4.190 9.778 1.00 1.00 H new ATOM 0 HG2 ARG A 38 5.153 -3.601 10.016 1.00 1.00 H new ATOM 0 HG3 ARG A 38 4.644 -3.370 11.677 1.00 1.00 H new ATOM 0 HD2 ARG A 38 3.330 -5.701 11.179 1.00 1.00 H new ATOM 0 HD3 ARG A 38 4.629 -5.886 10.017 1.00 1.00 H new ATOM 0 HE ARG A 38 6.282 -5.680 11.907 1.00 1.00 H new ATOM 0 HH11 ARG A 38 4.784 -8.132 12.589 1.00 1.00 H new ATOM 0 HH12 ARG A 38 4.213 -7.819 14.232 1.00 1.00 H new ATOM 0 HH21 ARG A 38 4.711 -4.361 14.011 1.00 1.00 H new ATOM 0 HH22 ARG A 38 4.172 -5.699 15.031 1.00 1.00 H new ATOM 649 N CYS A 39 3.927 -3.218 7.208 1.00 1.00 N ATOM 650 CA CYS A 39 3.698 -3.643 5.803 1.00 1.00 C ATOM 651 C CYS A 39 4.479 -4.900 5.421 1.00 1.00 C ATOM 652 O CYS A 39 5.522 -5.217 5.979 1.00 1.00 O ATOM 653 CB CYS A 39 4.101 -2.470 4.891 1.00 1.00 C ATOM 654 SG CYS A 39 5.645 -2.844 4.026 1.00 1.00 S ATOM 0 H CYS A 39 4.873 -3.349 7.565 1.00 1.00 H new ATOM 0 HA CYS A 39 2.645 -3.899 5.686 1.00 1.00 H new ATOM 0 HB2 CYS A 39 3.309 -2.275 4.167 1.00 1.00 H new ATOM 0 HB3 CYS A 39 4.220 -1.564 5.485 1.00 1.00 H new ATOM 0 HG CYS A 39 5.442 -3.800 3.169 1.00 1.00 H new ATOM 660 N LEU A 40 3.998 -5.562 4.398 1.00 1.00 N ATOM 661 CA LEU A 40 4.679 -6.744 3.860 1.00 1.00 C ATOM 662 C LEU A 40 5.555 -6.256 2.713 1.00 1.00 C ATOM 663 O LEU A 40 5.597 -5.053 2.395 1.00 1.00 O ATOM 664 CB LEU A 40 3.682 -7.784 3.353 1.00 1.00 C ATOM 665 CG LEU A 40 3.741 -9.070 4.201 1.00 1.00 C ATOM 666 CD1 LEU A 40 5.148 -9.300 4.771 1.00 1.00 C ATOM 667 CD2 LEU A 40 2.738 -8.964 5.351 1.00 1.00 C ATOM 0 H LEU A 40 3.137 -5.313 3.911 1.00 1.00 H new ATOM 0 HA LEU A 40 5.268 -7.228 4.640 1.00 1.00 H new ATOM 0 HB2 LEU A 40 2.674 -7.371 3.383 1.00 1.00 H new ATOM 0 HB3 LEU A 40 3.898 -8.022 2.311 1.00 1.00 H new ATOM 0 HG LEU A 40 3.492 -9.915 3.559 1.00 1.00 H new ATOM 0 HD11 LEU A 40 5.155 -10.215 5.364 1.00 1.00 H new ATOM 0 HD12 LEU A 40 5.862 -9.392 3.952 1.00 1.00 H new ATOM 0 HD13 LEU A 40 5.427 -8.456 5.402 1.00 1.00 H new ATOM 0 HD21 LEU A 40 2.777 -9.872 5.953 1.00 1.00 H new ATOM 0 HD22 LEU A 40 2.988 -8.105 5.974 1.00 1.00 H new ATOM 0 HD23 LEU A 40 1.733 -8.839 4.947 1.00 1.00 H new ATOM 679 N ASP A 41 6.298 -7.172 2.158 1.00 1.00 N ATOM 680 CA ASP A 41 7.331 -6.835 1.155 1.00 1.00 C ATOM 681 C ASP A 41 8.521 -6.301 1.999 1.00 1.00 C ATOM 682 O ASP A 41 9.426 -5.649 1.510 1.00 1.00 O ATOM 683 CB ASP A 41 6.825 -5.762 0.172 1.00 1.00 C ATOM 684 CG ASP A 41 7.093 -6.211 -1.267 1.00 1.00 C ATOM 685 OD1 ASP A 41 6.305 -6.987 -1.783 1.00 1.00 O ATOM 686 OD2 ASP A 41 8.079 -5.766 -1.832 1.00 1.00 O ATOM 0 H ASP A 41 6.225 -8.167 2.368 1.00 1.00 H new ATOM 0 HA ASP A 41 7.606 -7.692 0.540 1.00 1.00 H new ATOM 0 HB2 ASP A 41 5.758 -5.596 0.318 1.00 1.00 H new ATOM 0 HB3 ASP A 41 7.325 -4.813 0.366 1.00 1.00 H new ATOM 691 N GLY A 42 8.533 -6.703 3.284 1.00 1.00 N ATOM 692 CA GLY A 42 9.650 -6.388 4.245 1.00 1.00 C ATOM 693 C GLY A 42 9.728 -4.926 4.725 1.00 1.00 C ATOM 694 O GLY A 42 10.793 -4.339 4.647 1.00 1.00 O ATOM 0 H GLY A 42 7.782 -7.253 3.700 1.00 1.00 H new ATOM 0 HA2 GLY A 42 9.546 -7.032 5.118 1.00 1.00 H new ATOM 0 HA3 GLY A 42 10.597 -6.646 3.770 1.00 1.00 H new ATOM 698 N LYS A 43 8.672 -4.318 5.253 1.00 1.00 N ATOM 699 CA LYS A 43 8.847 -2.902 5.742 1.00 1.00 C ATOM 700 C LYS A 43 7.977 -2.563 6.972 1.00 1.00 C ATOM 701 O LYS A 43 6.948 -3.164 7.217 1.00 1.00 O ATOM 702 CB LYS A 43 8.550 -1.925 4.608 1.00 1.00 C ATOM 703 CG LYS A 43 9.874 -1.433 4.013 1.00 1.00 C ATOM 704 CD LYS A 43 10.096 -2.086 2.646 1.00 1.00 C ATOM 705 CE LYS A 43 11.597 -2.204 2.371 1.00 1.00 C ATOM 706 NZ LYS A 43 11.823 -3.145 1.237 1.00 1.00 N ATOM 0 H LYS A 43 7.741 -4.721 5.362 1.00 1.00 H new ATOM 0 HA LYS A 43 9.884 -2.808 6.063 1.00 1.00 H new ATOM 0 HB2 LYS A 43 7.950 -2.412 3.839 1.00 1.00 H new ATOM 0 HB3 LYS A 43 7.968 -1.082 4.980 1.00 1.00 H new ATOM 0 HG2 LYS A 43 9.858 -0.348 3.911 1.00 1.00 H new ATOM 0 HG3 LYS A 43 10.699 -1.678 4.683 1.00 1.00 H new ATOM 0 HD2 LYS A 43 9.633 -3.073 2.624 1.00 1.00 H new ATOM 0 HD3 LYS A 43 9.619 -1.492 1.866 1.00 1.00 H new ATOM 0 HE2 LYS A 43 12.012 -1.225 2.133 1.00 1.00 H new ATOM 0 HE3 LYS A 43 12.114 -2.561 3.262 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 12.843 -3.225 1.050 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 11.441 -4.081 1.481 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 11.343 -2.786 0.387 1.00 1.00 H new ATOM 720 N THR A 44 8.386 -1.542 7.703 1.00 1.00 N ATOM 721 CA THR A 44 7.613 -1.039 8.896 1.00 1.00 C ATOM 722 C THR A 44 7.710 0.504 8.852 1.00 1.00 C ATOM 723 O THR A 44 8.801 1.072 8.854 1.00 1.00 O ATOM 724 CB THR A 44 8.202 -1.613 10.203 1.00 1.00 C ATOM 725 OG1 THR A 44 7.158 -1.771 11.157 1.00 1.00 O ATOM 726 CG2 THR A 44 9.274 -0.682 10.778 1.00 1.00 C ATOM 0 H THR A 44 9.245 -1.024 7.517 1.00 1.00 H new ATOM 0 HA THR A 44 6.571 -1.357 8.867 1.00 1.00 H new ATOM 0 HB THR A 44 8.662 -2.576 9.982 1.00 1.00 H new ATOM 0 HG1 THR A 44 7.527 -2.137 11.988 1.00 1.00 H new ATOM 0 HG21 THR A 44 9.672 -1.110 11.698 1.00 1.00 H new ATOM 0 HG22 THR A 44 10.080 -0.564 10.054 1.00 1.00 H new ATOM 0 HG23 THR A 44 8.833 0.292 10.992 1.00 1.00 H new ATOM 734 N ARG A 45 6.587 1.186 8.727 1.00 1.00 N ATOM 735 CA ARG A 45 6.645 2.672 8.588 1.00 1.00 C ATOM 736 C ARG A 45 5.460 3.383 9.217 1.00 1.00 C ATOM 737 O ARG A 45 4.411 2.813 9.447 1.00 1.00 O ATOM 738 CB ARG A 45 6.652 3.029 7.102 1.00 1.00 C ATOM 739 CG ARG A 45 8.020 2.729 6.514 1.00 1.00 C ATOM 740 CD ARG A 45 7.955 1.455 5.688 1.00 1.00 C ATOM 741 NE ARG A 45 7.738 1.809 4.263 1.00 1.00 N ATOM 742 CZ ARG A 45 7.596 0.864 3.387 1.00 1.00 C ATOM 743 NH1 ARG A 45 6.561 0.070 3.456 1.00 1.00 N ATOM 744 NH2 ARG A 45 8.492 0.707 2.452 1.00 1.00 N ATOM 0 H ARG A 45 5.651 0.780 8.716 1.00 1.00 H new ATOM 0 HA ARG A 45 7.549 2.997 9.104 1.00 1.00 H new ATOM 0 HB2 ARG A 45 5.886 2.459 6.577 1.00 1.00 H new ATOM 0 HB3 ARG A 45 6.411 4.084 6.970 1.00 1.00 H new ATOM 0 HG2 ARG A 45 8.349 3.561 5.891 1.00 1.00 H new ATOM 0 HG3 ARG A 45 8.753 2.619 7.313 1.00 1.00 H new ATOM 0 HD2 ARG A 45 8.880 0.888 5.798 1.00 1.00 H new ATOM 0 HD3 ARG A 45 7.146 0.817 6.044 1.00 1.00 H new ATOM 0 HE ARG A 45 7.701 2.787 3.976 1.00 1.00 H new ATOM 0 HH11 ARG A 45 5.870 0.196 4.196 1.00 1.00 H new ATOM 0 HH12 ARG A 45 6.443 -0.675 2.770 1.00 1.00 H new ATOM 0 HH21 ARG A 45 9.301 1.327 2.412 1.00 1.00 H new ATOM 0 HH22 ARG A 45 8.383 -0.036 1.761 1.00 1.00 H new ATOM 758 N LEU A 46 5.608 4.671 9.388 1.00 1.00 N ATOM 759 CA LEU A 46 4.476 5.500 9.884 1.00 1.00 C ATOM 760 C LEU A 46 3.823 6.051 8.612 1.00 1.00 C ATOM 761 O LEU A 46 4.509 6.540 7.729 1.00 1.00 O ATOM 762 CB LEU A 46 4.998 6.647 10.755 1.00 1.00 C ATOM 763 CG LEU A 46 4.782 6.312 12.232 1.00 1.00 C ATOM 764 CD1 LEU A 46 5.513 5.013 12.582 1.00 1.00 C ATOM 765 CD2 LEU A 46 5.333 7.449 13.092 1.00 1.00 C ATOM 0 H LEU A 46 6.470 5.184 9.204 1.00 1.00 H new ATOM 0 HA LEU A 46 3.779 4.931 10.498 1.00 1.00 H new ATOM 0 HB2 LEU A 46 6.058 6.811 10.561 1.00 1.00 H new ATOM 0 HB3 LEU A 46 4.481 7.573 10.503 1.00 1.00 H new ATOM 0 HG LEU A 46 3.716 6.187 12.422 1.00 1.00 H new ATOM 0 HD11 LEU A 46 5.356 4.779 13.635 1.00 1.00 H new ATOM 0 HD12 LEU A 46 5.125 4.200 11.968 1.00 1.00 H new ATOM 0 HD13 LEU A 46 6.580 5.133 12.392 1.00 1.00 H new ATOM 0 HD21 LEU A 46 5.181 7.215 14.146 1.00 1.00 H new ATOM 0 HD22 LEU A 46 6.399 7.569 12.897 1.00 1.00 H new ATOM 0 HD23 LEU A 46 4.813 8.375 12.848 1.00 1.00 H new ATOM 777 N GLY A 47 2.532 5.915 8.462 1.00 1.00 N ATOM 778 CA GLY A 47 1.884 6.354 7.189 1.00 1.00 C ATOM 779 C GLY A 47 1.327 7.766 7.289 1.00 1.00 C ATOM 780 O GLY A 47 0.721 8.151 8.274 1.00 1.00 O ATOM 0 H GLY A 47 1.901 5.522 9.160 1.00 1.00 H new ATOM 0 HA2 GLY A 47 2.611 6.308 6.378 1.00 1.00 H new ATOM 0 HA3 GLY A 47 1.079 5.664 6.936 1.00 1.00 H new ATOM 784 N ARG A 48 1.532 8.531 6.242 1.00 1.00 N ATOM 785 CA ARG A 48 1.029 9.929 6.202 1.00 1.00 C ATOM 786 C ARG A 48 -0.088 10.038 5.161 1.00 1.00 C ATOM 787 O ARG A 48 -0.123 9.302 4.189 1.00 1.00 O ATOM 788 CB ARG A 48 2.172 10.887 5.852 1.00 1.00 C ATOM 789 CG ARG A 48 2.648 10.640 4.417 1.00 1.00 C ATOM 790 CD ARG A 48 2.041 11.699 3.494 1.00 1.00 C ATOM 791 NE ARG A 48 3.056 12.752 3.206 1.00 1.00 N ATOM 792 CZ ARG A 48 2.829 13.637 2.273 1.00 1.00 C ATOM 793 NH1 ARG A 48 1.924 14.563 2.459 1.00 1.00 N ATOM 794 NH2 ARG A 48 3.505 13.595 1.155 1.00 1.00 N ATOM 0 H ARG A 48 2.034 8.235 5.405 1.00 1.00 H new ATOM 0 HA ARG A 48 0.635 10.200 7.181 1.00 1.00 H new ATOM 0 HB2 ARG A 48 1.837 11.919 5.959 1.00 1.00 H new ATOM 0 HB3 ARG A 48 3.000 10.746 6.547 1.00 1.00 H new ATOM 0 HG2 ARG A 48 3.736 10.681 4.370 1.00 1.00 H new ATOM 0 HG3 ARG A 48 2.352 9.643 4.090 1.00 1.00 H new ATOM 0 HD2 ARG A 48 1.707 11.238 2.565 1.00 1.00 H new ATOM 0 HD3 ARG A 48 1.163 12.144 3.962 1.00 1.00 H new ATOM 0 HE ARG A 48 3.926 12.781 3.737 1.00 1.00 H new ATOM 0 HH11 ARG A 48 1.397 14.593 3.332 1.00 1.00 H new ATOM 0 HH12 ARG A 48 1.745 15.255 1.731 1.00 1.00 H new ATOM 0 HH21 ARG A 48 4.209 12.871 1.012 1.00 1.00 H new ATOM 0 HH22 ARG A 48 3.328 14.286 0.426 1.00 1.00 H new ATOM 1056 N ASP A 63 -7.262 -0.878 8.727 1.00 1.00 N ATOM 1057 CA ASP A 63 -7.673 -0.575 7.311 1.00 1.00 C ATOM 1058 C ASP A 63 -6.553 -0.980 6.344 1.00 1.00 C ATOM 1059 O ASP A 63 -5.413 -1.135 6.752 1.00 1.00 O ATOM 1060 CB ASP A 63 -7.954 0.926 7.174 1.00 1.00 C ATOM 1061 CG ASP A 63 -9.354 1.143 6.589 1.00 1.00 C ATOM 1062 OD1 ASP A 63 -10.318 0.829 7.270 1.00 1.00 O ATOM 1063 OD2 ASP A 63 -9.439 1.626 5.472 1.00 1.00 O ATOM 0 HA ASP A 63 -8.573 -1.139 7.068 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -7.878 1.409 8.148 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -7.206 1.388 6.530 1.00 1.00 H new ATOM 1068 N VAL A 64 -6.842 -1.137 5.060 1.00 1.00 N ATOM 1069 CA VAL A 64 -5.739 -1.510 4.114 1.00 1.00 C ATOM 1070 C VAL A 64 -5.275 -0.274 3.365 1.00 1.00 C ATOM 1071 O VAL A 64 -6.044 0.623 3.066 1.00 1.00 O ATOM 1072 CB VAL A 64 -6.166 -2.571 3.108 1.00 1.00 C ATOM 1073 CG1 VAL A 64 -6.405 -3.885 3.841 1.00 1.00 C ATOM 1074 CG2 VAL A 64 -7.427 -2.119 2.380 1.00 1.00 C ATOM 0 H VAL A 64 -7.766 -1.026 4.643 1.00 1.00 H new ATOM 0 HA VAL A 64 -4.929 -1.928 4.711 1.00 1.00 H new ATOM 0 HB VAL A 64 -5.380 -2.717 2.367 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -6.711 -4.650 3.127 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -5.486 -4.198 4.336 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -7.190 -3.749 4.585 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -7.726 -2.883 1.662 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -8.229 -1.966 3.102 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -7.229 -1.185 1.854 1.00 1.00 H new ATOM 1084 N VAL A 65 -4.011 -0.231 3.081 1.00 1.00 N ATOM 1085 CA VAL A 65 -3.433 0.947 2.364 1.00 1.00 C ATOM 1086 C VAL A 65 -2.316 0.536 1.406 1.00 1.00 C ATOM 1087 O VAL A 65 -1.636 -0.457 1.604 1.00 1.00 O ATOM 1088 CB VAL A 65 -2.826 1.934 3.378 1.00 1.00 C ATOM 1089 CG1 VAL A 65 -3.921 2.761 4.033 1.00 1.00 C ATOM 1090 CG2 VAL A 65 -2.059 1.175 4.464 1.00 1.00 C ATOM 0 H VAL A 65 -3.341 -0.964 3.314 1.00 1.00 H new ATOM 0 HA VAL A 65 -4.246 1.405 1.801 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.144 2.594 2.842 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -3.476 3.454 4.747 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -4.459 3.323 3.269 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -4.615 2.100 4.553 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -1.635 1.885 5.174 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -2.739 0.502 4.986 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -1.256 0.597 4.006 1.00 1.00 H new ATOM 1100 N ILE A 66 -2.063 1.371 0.430 1.00 1.00 N ATOM 1101 CA ILE A 66 -0.917 1.136 -0.495 1.00 1.00 C ATOM 1102 C ILE A 66 0.178 2.059 0.047 1.00 1.00 C ATOM 1103 O ILE A 66 -0.104 3.200 0.400 1.00 1.00 O ATOM 1104 CB ILE A 66 -1.289 1.486 -1.956 1.00 1.00 C ATOM 1105 CG1 ILE A 66 -0.973 2.959 -2.260 1.00 1.00 C ATOM 1106 CG2 ILE A 66 -2.784 1.229 -2.189 1.00 1.00 C ATOM 1107 CD1 ILE A 66 -1.279 3.261 -3.729 1.00 1.00 C ATOM 0 H ILE A 66 -2.607 2.212 0.234 1.00 1.00 H new ATOM 0 HA ILE A 66 -0.606 0.092 -0.527 1.00 1.00 H new ATOM 0 HB ILE A 66 -0.699 0.855 -2.620 1.00 1.00 H new ATOM 0 HG12 ILE A 66 -1.565 3.608 -1.615 1.00 1.00 H new ATOM 0 HG13 ILE A 66 0.075 3.167 -2.047 1.00 1.00 H new ATOM 0 HG21 ILE A 66 -3.040 1.477 -3.219 1.00 1.00 H new ATOM 0 HG22 ILE A 66 -3.006 0.178 -2.003 1.00 1.00 H new ATOM 0 HG23 ILE A 66 -3.370 1.849 -1.510 1.00 1.00 H new ATOM 0 HD11 ILE A 66 -1.054 4.306 -3.940 1.00 1.00 H new ATOM 0 HD12 ILE A 66 -0.668 2.622 -4.367 1.00 1.00 H new ATOM 0 HD13 ILE A 66 -2.334 3.070 -3.928 1.00 1.00 H new ATOM 1119 N VAL A 67 1.390 1.582 0.216 1.00 1.00 N ATOM 1120 CA VAL A 67 2.414 2.469 0.846 1.00 1.00 C ATOM 1121 C VAL A 67 3.663 2.703 -0.017 1.00 1.00 C ATOM 1122 O VAL A 67 4.061 1.897 -0.853 1.00 1.00 O ATOM 1123 CB VAL A 67 2.844 1.869 2.197 1.00 1.00 C ATOM 1124 CG1 VAL A 67 1.644 1.230 2.893 1.00 1.00 C ATOM 1125 CG2 VAL A 67 3.919 0.804 1.977 1.00 1.00 C ATOM 0 H VAL A 67 1.705 0.648 -0.046 1.00 1.00 H new ATOM 0 HA VAL A 67 1.938 3.442 0.970 1.00 1.00 H new ATOM 0 HB VAL A 67 3.243 2.669 2.821 1.00 1.00 H new ATOM 0 HG11 VAL A 67 1.959 0.809 3.848 1.00 1.00 H new ATOM 0 HG12 VAL A 67 0.878 1.986 3.065 1.00 1.00 H new ATOM 0 HG13 VAL A 67 1.237 0.438 2.264 1.00 1.00 H new ATOM 0 HG21 VAL A 67 4.218 0.385 2.938 1.00 1.00 H new ATOM 0 HG22 VAL A 67 3.522 0.011 1.343 1.00 1.00 H new ATOM 0 HG23 VAL A 67 4.785 1.256 1.493 1.00 1.00 H new ATOM 1135 N LYS A 68 4.290 3.824 0.267 1.00 1.00 N ATOM 1136 CA LYS A 68 5.556 4.247 -0.405 1.00 1.00 C ATOM 1137 C LYS A 68 6.676 4.212 0.649 1.00 1.00 C ATOM 1138 O LYS A 68 6.391 4.421 1.815 1.00 1.00 O ATOM 1139 CB LYS A 68 5.404 5.671 -0.954 1.00 1.00 C ATOM 1140 CG LYS A 68 5.268 5.621 -2.478 1.00 1.00 C ATOM 1141 CD LYS A 68 5.353 7.041 -3.049 1.00 1.00 C ATOM 1142 CE LYS A 68 6.804 7.368 -3.419 1.00 1.00 C ATOM 1143 NZ LYS A 68 7.059 6.991 -4.840 1.00 1.00 N ATOM 0 H LYS A 68 3.957 4.487 0.967 1.00 1.00 H new ATOM 0 HA LYS A 68 5.789 3.581 -1.236 1.00 1.00 H new ATOM 0 HB2 LYS A 68 4.528 6.149 -0.516 1.00 1.00 H new ATOM 0 HB3 LYS A 68 6.269 6.273 -0.675 1.00 1.00 H new ATOM 0 HG2 LYS A 68 6.056 4.999 -2.903 1.00 1.00 H new ATOM 0 HG3 LYS A 68 4.318 5.164 -2.754 1.00 1.00 H new ATOM 0 HD2 LYS A 68 4.716 7.127 -3.929 1.00 1.00 H new ATOM 0 HD3 LYS A 68 4.984 7.759 -2.317 1.00 1.00 H new ATOM 0 HE2 LYS A 68 6.995 8.431 -3.275 1.00 1.00 H new ATOM 0 HE3 LYS A 68 7.487 6.830 -2.762 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 8.044 7.214 -5.087 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 6.894 5.972 -4.964 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 6.417 7.524 -5.461 1.00 1.00 H new ATOM 1157 N PRO A 69 7.897 3.950 0.225 1.00 1.00 N ATOM 1158 CA PRO A 69 9.058 3.858 1.141 1.00 1.00 C ATOM 1159 C PRO A 69 9.761 5.215 1.341 1.00 1.00 C ATOM 1160 O PRO A 69 9.892 6.012 0.428 1.00 1.00 O ATOM 1161 CB PRO A 69 10.001 2.923 0.388 1.00 1.00 C ATOM 1162 CG PRO A 69 9.624 3.026 -1.115 1.00 1.00 C ATOM 1163 CD PRO A 69 8.228 3.677 -1.186 1.00 1.00 C ATOM 0 HA PRO A 69 8.764 3.524 2.136 1.00 1.00 H new ATOM 0 HB2 PRO A 69 11.040 3.211 0.547 1.00 1.00 H new ATOM 0 HB3 PRO A 69 9.896 1.898 0.744 1.00 1.00 H new ATOM 0 HG2 PRO A 69 10.357 3.625 -1.656 1.00 1.00 H new ATOM 0 HG3 PRO A 69 9.614 2.039 -1.578 1.00 1.00 H new ATOM 0 HD2 PRO A 69 8.243 4.592 -1.778 1.00 1.00 H new ATOM 0 HD3 PRO A 69 7.499 3.011 -1.647 1.00 1.00 H new ATOM 1171 N TRP A 70 10.186 5.468 2.564 1.00 1.00 N ATOM 1172 CA TRP A 70 10.863 6.758 2.927 1.00 1.00 C ATOM 1173 C TRP A 70 12.218 6.436 3.561 1.00 1.00 C ATOM 1174 O TRP A 70 12.246 5.784 4.605 1.00 1.00 O ATOM 1175 CB TRP A 70 10.106 7.503 4.018 1.00 1.00 C ATOM 1176 CG TRP A 70 8.933 8.099 3.461 1.00 1.00 C ATOM 1177 CD1 TRP A 70 8.159 7.494 2.577 1.00 1.00 C ATOM 1178 CD2 TRP A 70 8.356 9.386 3.742 1.00 1.00 C ATOM 1179 NE1 TRP A 70 7.149 8.306 2.278 1.00 1.00 N ATOM 1180 CE2 TRP A 70 7.206 9.495 2.966 1.00 1.00 C ATOM 1181 CE3 TRP A 70 8.711 10.459 4.579 1.00 1.00 C ATOM 1182 CZ2 TRP A 70 6.416 10.614 3.004 1.00 1.00 C ATOM 1183 CZ3 TRP A 70 7.910 11.608 4.623 1.00 1.00 C ATOM 1184 CH2 TRP A 70 6.757 11.686 3.833 1.00 1.00 C ATOM 0 H TRP A 70 10.088 4.816 3.342 1.00 1.00 H new ATOM 0 HA TRP A 70 10.927 7.353 2.016 1.00 1.00 H new ATOM 0 HB2 TRP A 70 9.833 6.817 4.820 1.00 1.00 H new ATOM 0 HB3 TRP A 70 10.743 8.270 4.458 1.00 1.00 H new ATOM 0 HD1 TRP A 70 8.319 6.508 2.167 1.00 1.00 H new ATOM 0 HE1 TRP A 70 6.413 8.072 1.612 1.00 1.00 H new ATOM 0 HE3 TRP A 70 9.601 10.397 5.188 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 5.528 10.668 2.392 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 8.182 12.432 5.266 1.00 1.00 H new ATOM 0 HH2 TRP A 70 6.135 12.569 3.864 1.00 1.00 H new ATOM 1262 N GLN A 76 11.240 3.322 8.943 1.00 1.00 N ATOM 1263 CA GLN A 76 10.951 3.915 7.608 1.00 1.00 C ATOM 1264 C GLN A 76 9.668 4.754 7.649 1.00 1.00 C ATOM 1265 O GLN A 76 8.790 4.567 8.486 1.00 1.00 O ATOM 1266 CB GLN A 76 10.821 2.796 6.568 1.00 1.00 C ATOM 1267 CG GLN A 76 12.203 2.434 6.016 1.00 1.00 C ATOM 1268 CD GLN A 76 12.143 2.347 4.487 1.00 1.00 C ATOM 1269 OE1 GLN A 76 11.356 1.600 3.937 1.00 1.00 O ATOM 1270 NE2 GLN A 76 12.949 3.083 3.772 1.00 1.00 N ATOM 0 HA GLN A 76 11.775 4.573 7.331 1.00 1.00 H new ATOM 0 HB2 GLN A 76 10.360 1.919 7.021 1.00 1.00 H new ATOM 0 HB3 GLN A 76 10.168 3.116 5.756 1.00 1.00 H new ATOM 0 HG2 GLN A 76 12.934 3.184 6.319 1.00 1.00 H new ATOM 0 HG3 GLN A 76 12.533 1.482 6.431 1.00 1.00 H new ATOM 0 HE21 GLN A 76 13.610 3.710 4.231 1.00 1.00 H new ATOM 0 HE22 GLN A 76 12.918 3.031 2.754 1.00 1.00 H new ATOM 1279 N LYS A 77 9.545 5.665 6.723 1.00 1.00 N ATOM 1280 CA LYS A 77 8.303 6.506 6.649 1.00 1.00 C ATOM 1281 C LYS A 77 7.541 6.063 5.415 1.00 1.00 C ATOM 1282 O LYS A 77 8.125 5.506 4.508 1.00 1.00 O ATOM 1283 CB LYS A 77 8.667 7.992 6.568 1.00 1.00 C ATOM 1284 CG LYS A 77 8.620 8.609 7.969 1.00 1.00 C ATOM 1285 CD LYS A 77 9.993 8.474 8.635 1.00 1.00 C ATOM 1286 CE LYS A 77 10.271 9.708 9.499 1.00 1.00 C ATOM 1287 NZ LYS A 77 10.695 10.844 8.630 1.00 1.00 N ATOM 0 H LYS A 77 10.247 5.868 6.012 1.00 1.00 H new ATOM 0 HA LYS A 77 7.690 6.377 7.541 1.00 1.00 H new ATOM 0 HB2 LYS A 77 9.663 8.110 6.141 1.00 1.00 H new ATOM 0 HB3 LYS A 77 7.973 8.511 5.907 1.00 1.00 H new ATOM 0 HG2 LYS A 77 8.337 9.660 7.906 1.00 1.00 H new ATOM 0 HG3 LYS A 77 7.861 8.110 8.572 1.00 1.00 H new ATOM 0 HD2 LYS A 77 10.023 7.574 9.249 1.00 1.00 H new ATOM 0 HD3 LYS A 77 10.768 8.368 7.875 1.00 1.00 H new ATOM 0 HE2 LYS A 77 9.377 9.980 10.060 1.00 1.00 H new ATOM 0 HE3 LYS A 77 11.049 9.485 10.229 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 11.012 11.636 9.224 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 11.476 10.538 8.015 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 9.893 11.151 8.044 1.00 1.00 H new ATOM 1301 N CYS A 78 6.262 6.244 5.351 1.00 1.00 N ATOM 1302 CA CYS A 78 5.549 5.777 4.134 1.00 1.00 C ATOM 1303 C CYS A 78 4.415 6.715 3.765 1.00 1.00 C ATOM 1304 O CYS A 78 3.789 7.322 4.618 1.00 1.00 O ATOM 1305 CB CYS A 78 4.993 4.365 4.362 1.00 1.00 C ATOM 1306 SG CYS A 78 3.887 4.357 5.793 1.00 1.00 S ATOM 0 H CYS A 78 5.685 6.684 6.068 1.00 1.00 H new ATOM 0 HA CYS A 78 6.264 5.763 3.311 1.00 1.00 H new ATOM 0 HB2 CYS A 78 4.455 4.030 3.475 1.00 1.00 H new ATOM 0 HB3 CYS A 78 5.813 3.664 4.522 1.00 1.00 H new ATOM 0 HG CYS A 78 4.389 5.101 6.734 1.00 1.00 H new ATOM 1312 N ASP A 79 4.098 6.772 2.501 1.00 1.00 N ATOM 1313 CA ASP A 79 2.935 7.605 2.072 1.00 1.00 C ATOM 1314 C ASP A 79 1.807 6.602 1.929 1.00 1.00 C ATOM 1315 O ASP A 79 1.931 5.637 1.192 1.00 1.00 O ATOM 1316 CB ASP A 79 3.226 8.290 0.732 1.00 1.00 C ATOM 1317 CG ASP A 79 2.735 9.738 0.775 1.00 1.00 C ATOM 1318 OD1 ASP A 79 1.541 9.946 0.628 1.00 1.00 O ATOM 1319 OD2 ASP A 79 3.563 10.617 0.953 1.00 1.00 O ATOM 0 H ASP A 79 4.588 6.283 1.751 1.00 1.00 H new ATOM 0 HA ASP A 79 2.703 8.404 2.776 1.00 1.00 H new ATOM 0 HB2 ASP A 79 4.296 8.265 0.525 1.00 1.00 H new ATOM 0 HB3 ASP A 79 2.732 7.752 -0.077 1.00 1.00 H new ATOM 1324 N ILE A 80 0.756 6.745 2.684 1.00 1.00 N ATOM 1325 CA ILE A 80 -0.295 5.699 2.635 1.00 1.00 C ATOM 1326 C ILE A 80 -1.669 6.233 2.218 1.00 1.00 C ATOM 1327 O ILE A 80 -2.137 7.252 2.692 1.00 1.00 O ATOM 1328 CB ILE A 80 -0.375 5.057 4.035 1.00 1.00 C ATOM 1329 CG1 ILE A 80 0.189 3.638 3.968 1.00 1.00 C ATOM 1330 CG2 ILE A 80 -1.821 5.004 4.539 1.00 1.00 C ATOM 1331 CD1 ILE A 80 0.701 3.221 5.347 1.00 1.00 C ATOM 0 H ILE A 80 0.582 7.524 3.319 1.00 1.00 H new ATOM 0 HA ILE A 80 -0.021 4.971 1.871 1.00 1.00 H new ATOM 0 HB ILE A 80 0.207 5.665 4.728 1.00 1.00 H new ATOM 0 HG12 ILE A 80 -0.582 2.945 3.631 1.00 1.00 H new ATOM 0 HG13 ILE A 80 0.999 3.592 3.240 1.00 1.00 H new ATOM 0 HG21 ILE A 80 -1.845 4.546 5.528 1.00 1.00 H new ATOM 0 HG22 ILE A 80 -2.223 6.015 4.597 1.00 1.00 H new ATOM 0 HG23 ILE A 80 -2.425 4.412 3.851 1.00 1.00 H new ATOM 0 HD11 ILE A 80 1.102 2.209 5.295 1.00 1.00 H new ATOM 0 HD12 ILE A 80 1.486 3.907 5.666 1.00 1.00 H new ATOM 0 HD13 ILE A 80 -0.120 3.250 6.064 1.00 1.00 H new ATOM 1343 N ILE A 81 -2.332 5.473 1.381 1.00 1.00 N ATOM 1344 CA ILE A 81 -3.725 5.813 0.954 1.00 1.00 C ATOM 1345 C ILE A 81 -4.609 4.684 1.502 1.00 1.00 C ATOM 1346 O ILE A 81 -4.362 3.521 1.228 1.00 1.00 O ATOM 1347 CB ILE A 81 -3.815 5.902 -0.582 1.00 1.00 C ATOM 1348 CG1 ILE A 81 -5.144 6.553 -0.979 1.00 1.00 C ATOM 1349 CG2 ILE A 81 -3.728 4.508 -1.210 1.00 1.00 C ATOM 1350 CD1 ILE A 81 -4.959 7.343 -2.277 1.00 1.00 C ATOM 0 H ILE A 81 -1.960 4.617 0.969 1.00 1.00 H new ATOM 0 HA ILE A 81 -4.043 6.784 1.334 1.00 1.00 H new ATOM 0 HB ILE A 81 -2.982 6.504 -0.945 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -5.910 5.789 -1.112 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -5.489 7.215 -0.184 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -3.793 4.593 -2.295 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -2.779 4.045 -0.939 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -4.550 3.892 -0.844 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -5.905 7.806 -2.559 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -4.206 8.117 -2.128 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -4.634 6.669 -3.070 1.00 1.00 H new ATOM 1362 N TRP A 82 -5.585 4.992 2.331 1.00 1.00 N ATOM 1363 CA TRP A 82 -6.400 3.891 2.943 1.00 1.00 C ATOM 1364 C TRP A 82 -7.718 3.647 2.216 1.00 1.00 C ATOM 1365 O TRP A 82 -8.223 4.479 1.481 1.00 1.00 O ATOM 1366 CB TRP A 82 -6.670 4.188 4.430 1.00 1.00 C ATOM 1367 CG TRP A 82 -7.483 5.438 4.600 1.00 1.00 C ATOM 1368 CD1 TRP A 82 -8.720 5.645 4.090 1.00 1.00 C ATOM 1369 CD2 TRP A 82 -7.142 6.642 5.345 1.00 1.00 C ATOM 1370 NE1 TRP A 82 -9.150 6.904 4.462 1.00 1.00 N ATOM 1371 CE2 TRP A 82 -8.214 7.556 5.238 1.00 1.00 C ATOM 1372 CE3 TRP A 82 -6.014 7.026 6.090 1.00 1.00 C ATOM 1373 CZ2 TRP A 82 -8.171 8.807 5.851 1.00 1.00 C ATOM 1374 CZ3 TRP A 82 -5.967 8.285 6.709 1.00 1.00 C ATOM 1375 CH2 TRP A 82 -7.044 9.174 6.590 1.00 1.00 C ATOM 0 H TRP A 82 -5.847 5.939 2.605 1.00 1.00 H new ATOM 0 HA TRP A 82 -5.810 2.980 2.847 1.00 1.00 H new ATOM 0 HB2 TRP A 82 -7.195 3.346 4.881 1.00 1.00 H new ATOM 0 HB3 TRP A 82 -5.723 4.293 4.959 1.00 1.00 H new ATOM 0 HD1 TRP A 82 -9.279 4.941 3.491 1.00 1.00 H new ATOM 0 HE1 TRP A 82 -10.050 7.303 4.195 1.00 1.00 H new ATOM 0 HE3 TRP A 82 -5.178 6.349 6.187 1.00 1.00 H new ATOM 0 HZ2 TRP A 82 -9.004 9.488 5.755 1.00 1.00 H new ATOM 0 HZ3 TRP A 82 -5.096 8.570 7.280 1.00 1.00 H new ATOM 0 HH2 TRP A 82 -7.003 10.141 7.069 1.00 1.00 H new ATOM 1386 N ARG A 83 -8.259 2.472 2.438 1.00 1.00 N ATOM 1387 CA ARG A 83 -9.543 2.063 1.808 1.00 1.00 C ATOM 1388 C ARG A 83 -9.980 0.712 2.407 1.00 1.00 C ATOM 1389 O ARG A 83 -9.195 0.003 3.026 1.00 1.00 O ATOM 1390 CB ARG A 83 -9.342 1.928 0.290 1.00 1.00 C ATOM 1391 CG ARG A 83 -10.694 1.801 -0.424 1.00 1.00 C ATOM 1392 CD ARG A 83 -11.555 3.040 -0.151 1.00 1.00 C ATOM 1393 NE ARG A 83 -12.936 2.615 0.223 1.00 1.00 N ATOM 1394 CZ ARG A 83 -13.642 3.336 1.055 1.00 1.00 C ATOM 1395 NH1 ARG A 83 -14.182 4.457 0.652 1.00 1.00 N ATOM 1396 NH2 ARG A 83 -13.808 2.936 2.289 1.00 1.00 N ATOM 0 H ARG A 83 -7.848 1.765 3.047 1.00 1.00 H new ATOM 0 HA ARG A 83 -10.313 2.811 1.998 1.00 1.00 H new ATOM 0 HB2 ARG A 83 -8.804 2.797 -0.090 1.00 1.00 H new ATOM 0 HB3 ARG A 83 -8.728 1.054 0.075 1.00 1.00 H new ATOM 0 HG2 ARG A 83 -10.538 1.687 -1.497 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -11.212 0.906 -0.080 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -11.115 3.632 0.652 1.00 1.00 H new ATOM 0 HD3 ARG A 83 -11.586 3.676 -1.035 1.00 1.00 H new ATOM 0 HE ARG A 83 -13.330 1.761 -0.171 1.00 1.00 H new ATOM 0 HH11 ARG A 83 -14.052 4.768 -0.311 1.00 1.00 H new ATOM 0 HH12 ARG A 83 -14.733 5.020 1.300 1.00 1.00 H new ATOM 0 HH21 ARG A 83 -13.387 2.062 2.603 1.00 1.00 H new ATOM 0 HH22 ARG A 83 -14.359 3.498 2.938 1.00 1.00 H new ATOM 1498 N VAL A 89 -5.273 -5.314 -0.263 1.00 1.00 N ATOM 1499 CA VAL A 89 -3.940 -5.919 0.059 1.00 1.00 C ATOM 1500 C VAL A 89 -3.658 -7.086 -0.897 1.00 1.00 C ATOM 1501 O VAL A 89 -2.524 -7.321 -1.272 1.00 1.00 O ATOM 1502 CB VAL A 89 -3.931 -6.415 1.513 1.00 1.00 C ATOM 1503 CG1 VAL A 89 -2.610 -7.133 1.812 1.00 1.00 C ATOM 1504 CG2 VAL A 89 -4.071 -5.219 2.458 1.00 1.00 C ATOM 0 HA VAL A 89 -3.163 -5.164 -0.062 1.00 1.00 H new ATOM 0 HB VAL A 89 -4.761 -7.106 1.659 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -2.611 -7.482 2.845 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -2.499 -7.985 1.141 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -1.779 -6.443 1.663 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -4.065 -5.568 3.490 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -3.239 -4.533 2.302 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -5.009 -4.703 2.255 1.00 1.00 H new ATOM 1514 N GLU A 90 -4.680 -7.812 -1.297 1.00 1.00 N ATOM 1515 CA GLU A 90 -4.482 -8.961 -2.238 1.00 1.00 C ATOM 1516 C GLU A 90 -3.762 -8.465 -3.499 1.00 1.00 C ATOM 1517 O GLU A 90 -2.746 -9.009 -3.892 1.00 1.00 O ATOM 1518 CB GLU A 90 -5.842 -9.553 -2.624 1.00 1.00 C ATOM 1519 CG GLU A 90 -6.528 -10.125 -1.377 1.00 1.00 C ATOM 1520 CD GLU A 90 -7.747 -9.266 -1.016 1.00 1.00 C ATOM 1521 OE1 GLU A 90 -7.554 -8.203 -0.445 1.00 1.00 O ATOM 1522 OE2 GLU A 90 -8.853 -9.688 -1.313 1.00 1.00 O ATOM 0 H GLU A 90 -5.646 -7.655 -1.009 1.00 1.00 H new ATOM 0 HA GLU A 90 -3.881 -9.729 -1.752 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -6.469 -8.785 -3.076 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -5.710 -10.336 -3.370 1.00 1.00 H new ATOM 0 HG2 GLU A 90 -6.838 -11.154 -1.560 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -5.827 -10.147 -0.543 1.00 1.00 H new ATOM 1529 N TRP A 91 -4.276 -7.426 -4.124 1.00 1.00 N ATOM 1530 CA TRP A 91 -3.618 -6.876 -5.351 1.00 1.00 C ATOM 1531 C TRP A 91 -2.247 -6.295 -4.978 1.00 1.00 C ATOM 1532 O TRP A 91 -1.285 -6.452 -5.707 1.00 1.00 O ATOM 1533 CB TRP A 91 -4.493 -5.779 -5.965 1.00 1.00 C ATOM 1534 CG TRP A 91 -5.011 -6.244 -7.290 1.00 1.00 C ATOM 1535 CD1 TRP A 91 -6.316 -6.424 -7.591 1.00 1.00 C ATOM 1536 CD2 TRP A 91 -4.261 -6.593 -8.490 1.00 1.00 C ATOM 1537 NE1 TRP A 91 -6.417 -6.860 -8.900 1.00 1.00 N ATOM 1538 CE2 TRP A 91 -5.177 -6.981 -9.495 1.00 1.00 C ATOM 1539 CE3 TRP A 91 -2.888 -6.613 -8.800 1.00 1.00 C ATOM 1540 CZ2 TRP A 91 -4.747 -7.373 -10.764 1.00 1.00 C ATOM 1541 CZ3 TRP A 91 -2.453 -7.006 -10.076 1.00 1.00 C ATOM 1542 CH2 TRP A 91 -3.380 -7.386 -11.056 1.00 1.00 C ATOM 0 H TRP A 91 -5.123 -6.938 -3.834 1.00 1.00 H new ATOM 0 HA TRP A 91 -3.488 -7.677 -6.079 1.00 1.00 H new ATOM 0 HB2 TRP A 91 -5.323 -5.545 -5.299 1.00 1.00 H new ATOM 0 HB3 TRP A 91 -3.915 -4.863 -6.089 1.00 1.00 H new ATOM 0 HD1 TRP A 91 -7.145 -6.255 -6.919 1.00 1.00 H new ATOM 0 HE1 TRP A 91 -7.299 -7.067 -9.368 1.00 1.00 H new ATOM 0 HE3 TRP A 91 -2.165 -6.324 -8.052 1.00 1.00 H new ATOM 0 HZ2 TRP A 91 -5.466 -7.664 -11.515 1.00 1.00 H new ATOM 0 HZ3 TRP A 91 -1.397 -7.015 -10.304 1.00 1.00 H new ATOM 0 HH2 TRP A 91 -3.039 -7.688 -12.035 1.00 1.00 H new ATOM 1553 N LEU A 92 -2.158 -5.635 -3.842 1.00 1.00 N ATOM 1554 CA LEU A 92 -0.852 -5.047 -3.397 1.00 1.00 C ATOM 1555 C LEU A 92 0.197 -6.165 -3.287 1.00 1.00 C ATOM 1556 O LEU A 92 1.344 -5.993 -3.662 1.00 1.00 O ATOM 1557 CB LEU A 92 -1.029 -4.380 -2.023 1.00 1.00 C ATOM 1558 CG LEU A 92 -1.961 -3.167 -2.138 1.00 1.00 C ATOM 1559 CD1 LEU A 92 -2.638 -2.904 -0.787 1.00 1.00 C ATOM 1560 CD2 LEU A 92 -1.148 -1.936 -2.544 1.00 1.00 C ATOM 0 H LEU A 92 -2.938 -5.479 -3.203 1.00 1.00 H new ATOM 0 HA LEU A 92 -0.523 -4.303 -4.122 1.00 1.00 H new ATOM 0 HB2 LEU A 92 -1.440 -5.097 -1.313 1.00 1.00 H new ATOM 0 HB3 LEU A 92 -0.060 -4.067 -1.635 1.00 1.00 H new ATOM 0 HG LEU A 92 -2.722 -3.369 -2.891 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -3.299 -2.042 -0.873 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -3.219 -3.779 -0.495 1.00 1.00 H new ATOM 0 HD13 LEU A 92 -1.878 -2.704 -0.032 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -1.810 -1.074 -2.626 1.00 1.00 H new ATOM 0 HD22 LEU A 92 -0.386 -1.738 -1.790 1.00 1.00 H new ATOM 0 HD23 LEU A 92 -0.668 -2.118 -3.506 1.00 1.00 H new ATOM 1572 N LYS A 93 -0.202 -7.311 -2.779 1.00 1.00 N ATOM 1573 CA LYS A 93 0.740 -8.463 -2.636 1.00 1.00 C ATOM 1574 C LYS A 93 1.203 -8.926 -4.023 1.00 1.00 C ATOM 1575 O LYS A 93 2.390 -9.020 -4.284 1.00 1.00 O ATOM 1576 CB LYS A 93 0.023 -9.614 -1.922 1.00 1.00 C ATOM 1577 CG LYS A 93 0.115 -9.413 -0.408 1.00 1.00 C ATOM 1578 CD LYS A 93 -0.901 -10.320 0.293 1.00 1.00 C ATOM 1579 CE LYS A 93 -0.333 -10.787 1.635 1.00 1.00 C ATOM 1580 NZ LYS A 93 0.507 -12.002 1.430 1.00 1.00 N ATOM 0 H LYS A 93 -1.151 -7.495 -2.455 1.00 1.00 H new ATOM 0 HA LYS A 93 1.608 -8.155 -2.053 1.00 1.00 H new ATOM 0 HB2 LYS A 93 -1.021 -9.653 -2.231 1.00 1.00 H new ATOM 0 HB3 LYS A 93 0.474 -10.566 -2.201 1.00 1.00 H new ATOM 0 HG2 LYS A 93 1.123 -9.642 -0.061 1.00 1.00 H new ATOM 0 HG3 LYS A 93 -0.079 -8.370 -0.157 1.00 1.00 H new ATOM 0 HD2 LYS A 93 -1.836 -9.782 0.450 1.00 1.00 H new ATOM 0 HD3 LYS A 93 -1.130 -11.181 -0.336 1.00 1.00 H new ATOM 0 HE2 LYS A 93 0.263 -9.993 2.085 1.00 1.00 H new ATOM 0 HE3 LYS A 93 -1.145 -11.007 2.328 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 0.891 -12.317 2.344 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 -0.074 -12.760 1.019 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 1.290 -11.777 0.784 1.00 1.00 H new ATOM 1594 N ARG A 94 0.273 -9.208 -4.912 1.00 1.00 N ATOM 1595 CA ARG A 94 0.645 -9.659 -6.292 1.00 1.00 C ATOM 1596 C ARG A 94 1.575 -8.624 -6.938 1.00 1.00 C ATOM 1597 O ARG A 94 2.484 -8.971 -7.671 1.00 1.00 O ATOM 1598 CB ARG A 94 -0.619 -9.804 -7.145 1.00 1.00 C ATOM 1599 CG ARG A 94 -0.958 -11.288 -7.317 1.00 1.00 C ATOM 1600 CD ARG A 94 -2.238 -11.426 -8.143 1.00 1.00 C ATOM 1601 NE ARG A 94 -2.323 -12.803 -8.706 1.00 1.00 N ATOM 1602 CZ ARG A 94 -2.076 -13.008 -9.973 1.00 1.00 C ATOM 1603 NH1 ARG A 94 -3.043 -12.930 -10.848 1.00 1.00 N ATOM 1604 NH2 ARG A 94 -0.860 -13.291 -10.363 1.00 1.00 N ATOM 0 H ARG A 94 -0.730 -9.144 -4.738 1.00 1.00 H new ATOM 0 HA ARG A 94 1.155 -10.620 -6.230 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -1.451 -9.284 -6.671 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -0.467 -9.340 -8.120 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -0.136 -11.805 -7.812 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -1.089 -11.757 -6.342 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -3.109 -11.223 -7.520 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -2.244 -10.692 -8.949 1.00 1.00 H new ATOM 0 HE ARG A 94 -2.574 -13.586 -8.102 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -3.991 -12.709 -10.542 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -2.850 -13.090 -11.837 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -0.106 -13.351 -9.679 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -0.666 -13.451 -11.351 1.00 1.00 H new ATOM 1618 N LYS A 95 1.351 -7.359 -6.663 1.00 1.00 N ATOM 1619 CA LYS A 95 2.211 -6.284 -7.245 1.00 1.00 C ATOM 1620 C LYS A 95 3.649 -6.414 -6.724 1.00 1.00 C ATOM 1621 O LYS A 95 4.594 -6.138 -7.441 1.00 1.00 O ATOM 1622 CB LYS A 95 1.648 -4.914 -6.848 1.00 1.00 C ATOM 1623 CG LYS A 95 1.408 -4.070 -8.103 1.00 1.00 C ATOM 1624 CD LYS A 95 2.411 -2.912 -8.146 1.00 1.00 C ATOM 1625 CE LYS A 95 3.467 -3.187 -9.219 1.00 1.00 C ATOM 1626 NZ LYS A 95 4.743 -2.509 -8.851 1.00 1.00 N ATOM 0 H LYS A 95 0.603 -7.026 -6.055 1.00 1.00 H new ATOM 0 HA LYS A 95 2.217 -6.382 -8.331 1.00 1.00 H new ATOM 0 HB2 LYS A 95 0.715 -5.039 -6.299 1.00 1.00 H new ATOM 0 HB3 LYS A 95 2.344 -4.403 -6.182 1.00 1.00 H new ATOM 0 HG2 LYS A 95 1.513 -4.688 -8.994 1.00 1.00 H new ATOM 0 HG3 LYS A 95 0.389 -3.682 -8.103 1.00 1.00 H new ATOM 0 HD2 LYS A 95 1.894 -1.977 -8.362 1.00 1.00 H new ATOM 0 HD3 LYS A 95 2.888 -2.795 -7.173 1.00 1.00 H new ATOM 0 HE2 LYS A 95 3.629 -4.260 -9.317 1.00 1.00 H new ATOM 0 HE3 LYS A 95 3.118 -2.827 -10.187 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 5.444 -2.655 -9.606 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 4.572 -1.490 -8.729 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 5.104 -2.909 -7.961 1.00 1.00 H new ATOM 1640 N GLY A 96 3.824 -6.830 -5.487 1.00 1.00 N ATOM 1641 CA GLY A 96 5.202 -6.976 -4.927 1.00 1.00 C ATOM 1642 C GLY A 96 5.946 -8.110 -5.640 1.00 1.00 C ATOM 1643 O GLY A 96 7.127 -8.009 -5.917 1.00 1.00 O ATOM 0 H GLY A 96 3.069 -7.073 -4.845 1.00 1.00 H new ATOM 0 HA2 GLY A 96 5.751 -6.041 -5.044 1.00 1.00 H new ATOM 0 HA3 GLY A 96 5.148 -7.182 -3.858 1.00 1.00 H new ATOM 1647 N TYR A 97 5.262 -9.196 -5.912 1.00 1.00 N ATOM 1648 CA TYR A 97 5.912 -10.373 -6.583 1.00 1.00 C ATOM 1649 C TYR A 97 6.328 -10.028 -8.019 1.00 1.00 C ATOM 1650 O TYR A 97 7.470 -10.227 -8.393 1.00 1.00 O ATOM 1651 CB TYR A 97 4.943 -11.564 -6.592 1.00 1.00 C ATOM 1652 CG TYR A 97 4.238 -11.646 -5.256 1.00 1.00 C ATOM 1653 CD1 TYR A 97 4.953 -11.432 -4.070 1.00 1.00 C ATOM 1654 CD2 TYR A 97 2.866 -11.909 -5.206 1.00 1.00 C ATOM 1655 CE1 TYR A 97 4.297 -11.482 -2.838 1.00 1.00 C ATOM 1656 CE2 TYR A 97 2.208 -11.963 -3.973 1.00 1.00 C ATOM 1657 CZ TYR A 97 2.924 -11.748 -2.787 1.00 1.00 C ATOM 1658 OH TYR A 97 2.276 -11.800 -1.569 1.00 1.00 O ATOM 0 H TYR A 97 4.273 -9.321 -5.697 1.00 1.00 H new ATOM 0 HA TYR A 97 6.809 -10.636 -6.022 1.00 1.00 H new ATOM 0 HB2 TYR A 97 4.214 -11.448 -7.394 1.00 1.00 H new ATOM 0 HB3 TYR A 97 5.487 -12.488 -6.786 1.00 1.00 H new ATOM 0 HD1 TYR A 97 6.013 -11.228 -4.109 1.00 1.00 H new ATOM 0 HD2 TYR A 97 2.314 -12.071 -6.120 1.00 1.00 H new ATOM 0 HE1 TYR A 97 4.849 -11.315 -1.925 1.00 1.00 H new ATOM 0 HE2 TYR A 97 1.149 -12.170 -3.935 1.00 1.00 H new ATOM 0 HH TYR A 97 2.724 -11.202 -0.934 1.00 1.00 H new ATOM 1668 N LEU A 98 5.418 -9.525 -8.828 1.00 1.00 N ATOM 1669 CA LEU A 98 5.780 -9.182 -10.244 1.00 1.00 C ATOM 1670 C LEU A 98 6.866 -8.095 -10.256 1.00 1.00 C ATOM 1671 O LEU A 98 7.789 -8.149 -11.047 1.00 1.00 O ATOM 1672 CB LEU A 98 4.539 -8.705 -11.020 1.00 1.00 C ATOM 1673 CG LEU A 98 3.893 -7.496 -10.331 1.00 1.00 C ATOM 1674 CD1 LEU A 98 4.404 -6.200 -10.970 1.00 1.00 C ATOM 1675 CD2 LEU A 98 2.371 -7.575 -10.494 1.00 1.00 C ATOM 0 H LEU A 98 4.449 -9.339 -8.570 1.00 1.00 H new ATOM 0 HA LEU A 98 6.166 -10.076 -10.733 1.00 1.00 H new ATOM 0 HB2 LEU A 98 4.822 -8.440 -12.039 1.00 1.00 H new ATOM 0 HB3 LEU A 98 3.816 -9.517 -11.091 1.00 1.00 H new ATOM 0 HG LEU A 98 4.153 -7.503 -9.272 1.00 1.00 H new ATOM 0 HD11 LEU A 98 3.942 -5.345 -10.477 1.00 1.00 H new ATOM 0 HD12 LEU A 98 5.487 -6.142 -10.859 1.00 1.00 H new ATOM 0 HD13 LEU A 98 4.147 -6.191 -12.029 1.00 1.00 H new ATOM 0 HD21 LEU A 98 1.908 -6.718 -10.006 1.00 1.00 H new ATOM 0 HD22 LEU A 98 2.118 -7.569 -11.554 1.00 1.00 H new ATOM 0 HD23 LEU A 98 2.003 -8.494 -10.038 1.00 1.00 H new ATOM 1687 N ASP A 99 6.767 -7.121 -9.379 1.00 1.00 N ATOM 1688 CA ASP A 99 7.797 -6.036 -9.325 1.00 1.00 C ATOM 1689 C ASP A 99 9.143 -6.630 -8.886 1.00 1.00 C ATOM 1690 O ASP A 99 10.188 -6.249 -9.385 1.00 1.00 O ATOM 1691 CB ASP A 99 7.358 -4.960 -8.323 1.00 1.00 C ATOM 1692 CG ASP A 99 8.139 -3.664 -8.573 1.00 1.00 C ATOM 1693 OD1 ASP A 99 7.743 -2.913 -9.451 1.00 1.00 O ATOM 1694 OD2 ASP A 99 9.119 -3.441 -7.879 1.00 1.00 O ATOM 0 H ASP A 99 6.014 -7.032 -8.697 1.00 1.00 H new ATOM 0 HA ASP A 99 7.904 -5.587 -10.313 1.00 1.00 H new ATOM 0 HB2 ASP A 99 6.288 -4.775 -8.420 1.00 1.00 H new ATOM 0 HB3 ASP A 99 7.530 -5.308 -7.304 1.00 1.00 H new ATOM 1699 N GLU A 100 9.120 -7.562 -7.956 1.00 1.00 N ATOM 1700 CA GLU A 100 10.387 -8.193 -7.472 1.00 1.00 C ATOM 1701 C GLU A 100 11.039 -8.983 -8.615 1.00 1.00 C ATOM 1702 O GLU A 100 12.190 -8.764 -8.947 1.00 1.00 O ATOM 1703 CB GLU A 100 10.073 -9.139 -6.304 1.00 1.00 C ATOM 1704 CG GLU A 100 11.361 -9.823 -5.827 1.00 1.00 C ATOM 1705 CD GLU A 100 11.300 -11.322 -6.148 1.00 1.00 C ATOM 1706 OE1 GLU A 100 10.783 -12.064 -5.327 1.00 1.00 O ATOM 1707 OE2 GLU A 100 11.773 -11.703 -7.207 1.00 1.00 O ATOM 0 H GLU A 100 8.271 -7.912 -7.512 1.00 1.00 H new ATOM 0 HA GLU A 100 11.074 -7.416 -7.135 1.00 1.00 H new ATOM 0 HB2 GLU A 100 9.622 -8.581 -5.484 1.00 1.00 H new ATOM 0 HB3 GLU A 100 9.347 -9.889 -6.617 1.00 1.00 H new ATOM 0 HG2 GLU A 100 12.226 -9.372 -6.314 1.00 1.00 H new ATOM 0 HG3 GLU A 100 11.487 -9.676 -4.754 1.00 1.00 H new