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 64:sc= -6.17! USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= 0.0166 (180deg=0.00688) 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= -0.174 X(o=-0.17,f=-0.14) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= -0.0408 (180deg=-0.0408) USER MOD Single : A 78 CYS SG : rot -43:sc= -9.32! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 153:sc= 0.152 (180deg=0.0031) USER MOD Single : A 97 TYR OH : rot -130:sc= -0.69 USER MOD ----------------------------------------------------------------- ATOM 351 N GLU A 21 7.344 -0.605 -5.067 1.00 1.00 N ATOM 352 CA GLU A 21 6.362 -0.036 -4.091 1.00 1.00 C ATOM 353 C GLU A 21 6.081 -1.072 -2.992 1.00 1.00 C ATOM 354 O GLU A 21 6.263 -2.262 -3.193 1.00 1.00 O ATOM 355 CB GLU A 21 5.057 0.307 -4.820 1.00 1.00 C ATOM 356 CG GLU A 21 4.427 1.558 -4.197 1.00 1.00 C ATOM 357 CD GLU A 21 2.903 1.401 -4.150 1.00 1.00 C ATOM 358 OE1 GLU A 21 2.262 1.735 -5.134 1.00 1.00 O ATOM 359 OE2 GLU A 21 2.403 0.953 -3.131 1.00 1.00 O ATOM 0 HA GLU A 21 6.773 0.868 -3.643 1.00 1.00 H new ATOM 0 HB2 GLU A 21 5.255 0.477 -5.878 1.00 1.00 H new ATOM 0 HB3 GLU A 21 4.363 -0.531 -4.756 1.00 1.00 H new ATOM 0 HG2 GLU A 21 4.818 1.711 -3.191 1.00 1.00 H new ATOM 0 HG3 GLU A 21 4.694 2.440 -4.780 1.00 1.00 H new ATOM 366 N ILE A 22 5.638 -0.634 -1.833 1.00 1.00 N ATOM 367 CA ILE A 22 5.350 -1.607 -0.727 1.00 1.00 C ATOM 368 C ILE A 22 3.844 -1.617 -0.442 1.00 1.00 C ATOM 369 O ILE A 22 3.131 -0.700 -0.829 1.00 1.00 O ATOM 370 CB ILE A 22 6.142 -1.231 0.531 1.00 1.00 C ATOM 371 CG1 ILE A 22 6.449 0.276 0.543 1.00 1.00 C ATOM 372 CG2 ILE A 22 7.453 -2.014 0.530 1.00 1.00 C ATOM 373 CD1 ILE A 22 7.319 0.623 1.753 1.00 1.00 C ATOM 0 H ILE A 22 5.465 0.346 -1.607 1.00 1.00 H new ATOM 0 HA ILE A 22 5.659 -2.607 -1.031 1.00 1.00 H new ATOM 0 HB ILE A 22 5.553 -1.472 1.416 1.00 1.00 H new ATOM 0 HG12 ILE A 22 6.961 0.558 -0.377 1.00 1.00 H new ATOM 0 HG13 ILE A 22 5.520 0.845 0.578 1.00 1.00 H new ATOM 0 HG21 ILE A 22 8.030 -1.759 1.419 1.00 1.00 H new ATOM 0 HG22 ILE A 22 7.239 -3.083 0.531 1.00 1.00 H new ATOM 0 HG23 ILE A 22 8.028 -1.760 -0.361 1.00 1.00 H new ATOM 0 HD11 ILE A 22 7.532 1.692 1.754 1.00 1.00 H new ATOM 0 HD12 ILE A 22 6.791 0.357 2.669 1.00 1.00 H new ATOM 0 HD13 ILE A 22 8.255 0.067 1.700 1.00 1.00 H new ATOM 385 N LEU A 23 3.337 -2.650 0.212 1.00 1.00 N ATOM 386 CA LEU A 23 1.845 -2.680 0.464 1.00 1.00 C ATOM 387 C LEU A 23 1.591 -2.683 1.958 1.00 1.00 C ATOM 388 O LEU A 23 2.136 -3.503 2.649 1.00 1.00 O ATOM 389 CB LEU A 23 1.227 -3.935 -0.171 1.00 1.00 C ATOM 390 CG LEU A 23 2.102 -5.166 0.110 1.00 1.00 C ATOM 391 CD1 LEU A 23 1.217 -6.325 0.569 1.00 1.00 C ATOM 392 CD2 LEU A 23 2.845 -5.567 -1.169 1.00 1.00 C ATOM 0 H LEU A 23 3.867 -3.445 0.570 1.00 1.00 H new ATOM 0 HA LEU A 23 1.386 -1.799 0.016 1.00 1.00 H new ATOM 0 HB2 LEU A 23 0.225 -4.095 0.227 1.00 1.00 H new ATOM 0 HB3 LEU A 23 1.124 -3.792 -1.247 1.00 1.00 H new ATOM 0 HG LEU A 23 2.824 -4.928 0.891 1.00 1.00 H new ATOM 0 HD11 LEU A 23 1.837 -7.199 0.769 1.00 1.00 H new ATOM 0 HD12 LEU A 23 0.687 -6.040 1.478 1.00 1.00 H new ATOM 0 HD13 LEU A 23 0.495 -6.563 -0.212 1.00 1.00 H new ATOM 0 HD21 LEU A 23 3.466 -6.440 -0.970 1.00 1.00 H new ATOM 0 HD22 LEU A 23 2.123 -5.805 -1.950 1.00 1.00 H new ATOM 0 HD23 LEU A 23 3.475 -4.741 -1.498 1.00 1.00 H new ATOM 404 N GLY A 24 0.799 -1.778 2.486 1.00 1.00 N ATOM 405 CA GLY A 24 0.599 -1.779 3.970 1.00 1.00 C ATOM 406 C GLY A 24 -0.843 -1.487 4.372 1.00 1.00 C ATOM 407 O GLY A 24 -1.626 -0.948 3.614 1.00 1.00 O ATOM 0 H GLY A 24 0.295 -1.057 1.969 1.00 1.00 H new ATOM 0 HA2 GLY A 24 0.894 -2.749 4.371 1.00 1.00 H new ATOM 0 HA3 GLY A 24 1.255 -1.034 4.421 1.00 1.00 H new ATOM 411 N ILE A 25 -1.172 -1.828 5.594 1.00 1.00 N ATOM 412 CA ILE A 25 -2.538 -1.566 6.135 1.00 1.00 C ATOM 413 C ILE A 25 -2.425 -0.439 7.170 1.00 1.00 C ATOM 414 O ILE A 25 -1.430 -0.333 7.879 1.00 1.00 O ATOM 415 CB ILE A 25 -3.105 -2.834 6.791 1.00 1.00 C ATOM 416 CG1 ILE A 25 -2.172 -3.315 7.911 1.00 1.00 C ATOM 417 CG2 ILE A 25 -3.243 -3.935 5.737 1.00 1.00 C ATOM 418 CD1 ILE A 25 -2.815 -3.033 9.271 1.00 1.00 C ATOM 0 H ILE A 25 -0.538 -2.285 6.249 1.00 1.00 H new ATOM 0 HA ILE A 25 -3.213 -1.276 5.330 1.00 1.00 H new ATOM 0 HB ILE A 25 -4.082 -2.606 7.216 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -1.978 -4.382 7.803 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -1.210 -2.807 7.840 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -3.645 -4.835 6.202 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -3.917 -3.601 4.948 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -2.265 -4.154 5.309 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -2.151 -3.375 10.065 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -2.986 -1.962 9.377 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -3.766 -3.561 9.340 1.00 1.00 H new ATOM 430 N ILE A 26 -3.419 0.414 7.247 1.00 1.00 N ATOM 431 CA ILE A 26 -3.352 1.553 8.212 1.00 1.00 C ATOM 432 C ILE A 26 -4.125 1.263 9.490 1.00 1.00 C ATOM 433 O ILE A 26 -5.107 0.532 9.510 1.00 1.00 O ATOM 434 CB ILE A 26 -3.927 2.837 7.601 1.00 1.00 C ATOM 435 CG1 ILE A 26 -5.182 2.526 6.773 1.00 1.00 C ATOM 436 CG2 ILE A 26 -2.877 3.504 6.724 1.00 1.00 C ATOM 437 CD1 ILE A 26 -6.013 3.799 6.601 1.00 1.00 C ATOM 0 H ILE A 26 -4.269 0.370 6.685 1.00 1.00 H new ATOM 0 HA ILE A 26 -2.295 1.685 8.445 1.00 1.00 H new ATOM 0 HB ILE A 26 -4.206 3.514 8.408 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -4.898 2.131 5.798 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -5.775 1.757 7.268 1.00 1.00 H new ATOM 0 HG21 ILE A 26 -3.290 4.416 6.292 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -2.003 3.751 7.327 1.00 1.00 H new ATOM 0 HG23 ILE A 26 -2.585 2.823 5.924 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -6.903 3.576 6.013 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -6.310 4.175 7.580 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -5.419 4.555 6.087 1.00 1.00 H new ATOM 449 N GLU A 27 -3.669 1.888 10.547 1.00 1.00 N ATOM 450 CA GLU A 27 -4.309 1.750 11.887 1.00 1.00 C ATOM 451 C GLU A 27 -4.300 3.119 12.577 1.00 1.00 C ATOM 452 O GLU A 27 -3.252 3.718 12.780 1.00 1.00 O ATOM 453 CB GLU A 27 -3.522 0.749 12.736 1.00 1.00 C ATOM 454 CG GLU A 27 -4.055 -0.666 12.494 1.00 1.00 C ATOM 455 CD GLU A 27 -2.945 -1.686 12.767 1.00 1.00 C ATOM 456 OE1 GLU A 27 -1.956 -1.668 12.052 1.00 1.00 O ATOM 457 OE2 GLU A 27 -3.104 -2.471 13.688 1.00 1.00 O ATOM 0 H GLU A 27 -2.857 2.505 10.533 1.00 1.00 H new ATOM 0 HA GLU A 27 -5.332 1.393 11.772 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -2.463 0.797 12.483 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -3.610 1.005 13.792 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -4.909 -0.860 13.143 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -4.407 -0.762 11.467 1.00 1.00 H new ATOM 545 N ARG A 34 -1.129 11.886 10.995 1.00 1.00 N ATOM 546 CA ARG A 34 -0.273 10.711 10.641 1.00 1.00 C ATOM 547 C ARG A 34 -0.801 9.451 11.335 1.00 1.00 C ATOM 548 O ARG A 34 -1.129 9.459 12.509 1.00 1.00 O ATOM 549 CB ARG A 34 1.175 10.958 11.078 1.00 1.00 C ATOM 550 CG ARG A 34 1.217 11.423 12.540 1.00 1.00 C ATOM 551 CD ARG A 34 2.032 12.714 12.649 1.00 1.00 C ATOM 552 NE ARG A 34 3.437 12.382 13.022 1.00 1.00 N ATOM 553 CZ ARG A 34 4.380 12.421 12.117 1.00 1.00 C ATOM 554 NH1 ARG A 34 4.583 11.390 11.340 1.00 1.00 N ATOM 555 NH2 ARG A 34 5.117 13.494 11.991 1.00 1.00 N ATOM 0 HA ARG A 34 -0.304 10.573 9.560 1.00 1.00 H new ATOM 0 HB2 ARG A 34 1.758 10.044 10.963 1.00 1.00 H new ATOM 0 HB3 ARG A 34 1.633 11.711 10.436 1.00 1.00 H new ATOM 0 HG2 ARG A 34 0.204 11.589 12.908 1.00 1.00 H new ATOM 0 HG3 ARG A 34 1.660 10.648 13.165 1.00 1.00 H new ATOM 0 HD2 ARG A 34 2.013 13.250 11.700 1.00 1.00 H new ATOM 0 HD3 ARG A 34 1.591 13.373 13.397 1.00 1.00 H new ATOM 0 HE ARG A 34 3.662 12.125 13.983 1.00 1.00 H new ATOM 0 HH11 ARG A 34 4.006 10.555 11.440 1.00 1.00 H new ATOM 0 HH12 ARG A 34 5.319 11.420 10.634 1.00 1.00 H new ATOM 0 HH21 ARG A 34 4.956 14.298 12.598 1.00 1.00 H new ATOM 0 HH22 ARG A 34 5.853 13.527 11.286 1.00 1.00 H new ATOM 569 N VAL A 35 -0.879 8.373 10.603 1.00 1.00 N ATOM 570 CA VAL A 35 -1.374 7.087 11.161 1.00 1.00 C ATOM 571 C VAL A 35 -0.205 6.092 11.243 1.00 1.00 C ATOM 572 O VAL A 35 0.807 6.257 10.583 1.00 1.00 O ATOM 573 CB VAL A 35 -2.472 6.567 10.220 1.00 1.00 C ATOM 574 CG1 VAL A 35 -2.340 5.063 9.989 1.00 1.00 C ATOM 575 CG2 VAL A 35 -3.840 6.879 10.822 1.00 1.00 C ATOM 0 H VAL A 35 -0.614 8.332 9.619 1.00 1.00 H new ATOM 0 HA VAL A 35 -1.781 7.216 12.164 1.00 1.00 H new ATOM 0 HB VAL A 35 -2.365 7.065 9.256 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -3.132 4.727 9.319 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -1.370 4.847 9.541 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -2.424 4.540 10.942 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -4.622 6.512 10.158 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -3.930 6.392 11.793 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -3.946 7.957 10.946 1.00 1.00 H new ATOM 585 N ARG A 36 -0.347 5.051 12.027 1.00 1.00 N ATOM 586 CA ARG A 36 0.751 4.031 12.123 1.00 1.00 C ATOM 587 C ARG A 36 0.389 2.871 11.206 1.00 1.00 C ATOM 588 O ARG A 36 -0.740 2.406 11.206 1.00 1.00 O ATOM 589 CB ARG A 36 0.921 3.525 13.562 1.00 1.00 C ATOM 590 CG ARG A 36 -0.440 3.398 14.256 1.00 1.00 C ATOM 591 CD ARG A 36 -0.404 2.235 15.251 1.00 1.00 C ATOM 592 NE ARG A 36 -0.535 0.943 14.517 1.00 1.00 N ATOM 593 CZ ARG A 36 -0.611 -0.180 15.180 1.00 1.00 C ATOM 594 NH1 ARG A 36 -1.760 -0.577 15.663 1.00 1.00 N ATOM 595 NH2 ARG A 36 0.463 -0.905 15.361 1.00 1.00 N ATOM 0 H ARG A 36 -1.168 4.862 12.602 1.00 1.00 H new ATOM 0 HA ARG A 36 1.696 4.485 11.824 1.00 1.00 H new ATOM 0 HB2 ARG A 36 1.423 2.558 13.556 1.00 1.00 H new ATOM 0 HB3 ARG A 36 1.557 4.211 14.121 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -0.683 4.326 14.774 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -1.223 3.232 13.516 1.00 1.00 H new ATOM 0 HD2 ARG A 36 0.530 2.253 15.812 1.00 1.00 H new ATOM 0 HD3 ARG A 36 -1.213 2.337 15.975 1.00 1.00 H new ATOM 0 HE ARG A 36 -0.565 0.936 13.497 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -2.596 -0.010 15.522 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -1.820 -1.454 16.181 1.00 1.00 H new ATOM 0 HH21 ARG A 36 1.358 -0.593 14.985 1.00 1.00 H new ATOM 0 HH22 ARG A 36 0.405 -1.782 15.879 1.00 1.00 H new ATOM 609 N VAL A 37 1.309 2.434 10.379 1.00 1.00 N ATOM 610 CA VAL A 37 0.986 1.364 9.428 1.00 1.00 C ATOM 611 C VAL A 37 2.023 0.235 9.471 1.00 1.00 C ATOM 612 O VAL A 37 3.219 0.448 9.629 1.00 1.00 O ATOM 613 CB VAL A 37 0.991 2.003 8.049 1.00 1.00 C ATOM 614 CG1 VAL A 37 1.338 0.971 7.001 1.00 1.00 C ATOM 615 CG2 VAL A 37 -0.378 2.603 7.755 1.00 1.00 C ATOM 0 H VAL A 37 2.266 2.783 10.334 1.00 1.00 H new ATOM 0 HA VAL A 37 0.022 0.921 9.676 1.00 1.00 H new ATOM 0 HB VAL A 37 1.741 2.794 8.026 1.00 1.00 H new ATOM 0 HG11 VAL A 37 1.339 1.438 6.016 1.00 1.00 H new ATOM 0 HG12 VAL A 37 2.326 0.560 7.208 1.00 1.00 H new ATOM 0 HG13 VAL A 37 0.600 0.169 7.021 1.00 1.00 H new ATOM 0 HG21 VAL A 37 -0.370 3.060 6.765 1.00 1.00 H new ATOM 0 HG22 VAL A 37 -1.134 1.818 7.786 1.00 1.00 H new ATOM 0 HG23 VAL A 37 -0.611 3.361 8.503 1.00 1.00 H new ATOM 625 N ARG A 38 1.548 -0.952 9.233 1.00 1.00 N ATOM 626 CA ARG A 38 2.438 -2.161 9.151 1.00 1.00 C ATOM 627 C ARG A 38 2.277 -2.689 7.728 1.00 1.00 C ATOM 628 O ARG A 38 1.186 -2.639 7.181 1.00 1.00 O ATOM 629 CB ARG A 38 2.027 -3.238 10.171 1.00 1.00 C ATOM 630 CG ARG A 38 0.505 -3.257 10.365 1.00 1.00 C ATOM 631 CD ARG A 38 0.166 -4.040 11.636 1.00 1.00 C ATOM 632 NE ARG A 38 0.483 -3.207 12.834 1.00 1.00 N ATOM 633 CZ ARG A 38 0.485 -3.745 14.024 1.00 1.00 C ATOM 634 NH1 ARG A 38 -0.646 -3.987 14.634 1.00 1.00 N ATOM 635 NH2 ARG A 38 1.620 -4.037 14.607 1.00 1.00 N ATOM 0 H ARG A 38 0.558 -1.149 9.087 1.00 1.00 H new ATOM 0 HA ARG A 38 3.471 -1.902 9.381 1.00 1.00 H new ATOM 0 HB2 ARG A 38 2.366 -4.216 9.830 1.00 1.00 H new ATOM 0 HB3 ARG A 38 2.517 -3.046 11.126 1.00 1.00 H new ATOM 0 HG2 ARG A 38 0.124 -2.239 10.439 1.00 1.00 H new ATOM 0 HG3 ARG A 38 0.023 -3.716 9.502 1.00 1.00 H new ATOM 0 HD2 ARG A 38 -0.890 -4.312 11.638 1.00 1.00 H new ATOM 0 HD3 ARG A 38 0.734 -4.970 11.666 1.00 1.00 H new ATOM 0 HE ARG A 38 0.698 -2.216 12.723 1.00 1.00 H new ATOM 0 HH11 ARG A 38 -1.530 -3.756 14.180 1.00 1.00 H new ATOM 0 HH12 ARG A 38 -0.644 -4.407 15.563 1.00 1.00 H new ATOM 0 HH21 ARG A 38 2.502 -3.844 14.132 1.00 1.00 H new ATOM 0 HH22 ARG A 38 1.623 -4.457 15.536 1.00 1.00 H new ATOM 649 N CYS A 39 3.331 -3.120 7.079 1.00 1.00 N ATOM 650 CA CYS A 39 3.153 -3.538 5.663 1.00 1.00 C ATOM 651 C CYS A 39 3.967 -4.774 5.266 1.00 1.00 C ATOM 652 O CYS A 39 4.983 -5.117 5.854 1.00 1.00 O ATOM 653 CB CYS A 39 3.565 -2.351 4.788 1.00 1.00 C ATOM 654 SG CYS A 39 5.179 -2.658 4.031 1.00 1.00 S ATOM 0 H CYS A 39 4.275 -3.198 7.456 1.00 1.00 H new ATOM 0 HA CYS A 39 2.110 -3.821 5.525 1.00 1.00 H new ATOM 0 HB2 CYS A 39 2.817 -2.186 4.012 1.00 1.00 H new ATOM 0 HB3 CYS A 39 3.605 -1.443 5.390 1.00 1.00 H new ATOM 0 HG CYS A 39 5.095 -3.677 3.229 1.00 1.00 H new ATOM 660 N LEU A 40 3.528 -5.381 4.190 1.00 1.00 N ATOM 661 CA LEU A 40 4.208 -6.541 3.605 1.00 1.00 C ATOM 662 C LEU A 40 5.145 -6.021 2.515 1.00 1.00 C ATOM 663 O LEU A 40 5.246 -4.805 2.260 1.00 1.00 O ATOM 664 CB LEU A 40 3.194 -7.508 3.006 1.00 1.00 C ATOM 665 CG LEU A 40 2.940 -8.648 3.992 1.00 1.00 C ATOM 666 CD1 LEU A 40 1.780 -9.511 3.494 1.00 1.00 C ATOM 667 CD2 LEU A 40 4.203 -9.506 4.113 1.00 1.00 C ATOM 0 H LEU A 40 2.689 -5.094 3.685 1.00 1.00 H new ATOM 0 HA LEU A 40 4.767 -7.079 4.371 1.00 1.00 H new ATOM 0 HB2 LEU A 40 2.262 -6.987 2.787 1.00 1.00 H new ATOM 0 HB3 LEU A 40 3.566 -7.905 2.062 1.00 1.00 H new ATOM 0 HG LEU A 40 2.686 -8.234 4.968 1.00 1.00 H new ATOM 0 HD11 LEU A 40 1.602 -10.323 4.199 1.00 1.00 H new ATOM 0 HD12 LEU A 40 0.882 -8.900 3.410 1.00 1.00 H new ATOM 0 HD13 LEU A 40 2.029 -9.927 2.518 1.00 1.00 H new ATOM 0 HD21 LEU A 40 4.024 -10.320 4.816 1.00 1.00 H new ATOM 0 HD22 LEU A 40 4.457 -9.919 3.137 1.00 1.00 H new ATOM 0 HD23 LEU A 40 5.028 -8.891 4.473 1.00 1.00 H new ATOM 679 N ASP A 41 5.882 -6.930 1.937 1.00 1.00 N ATOM 680 CA ASP A 41 6.958 -6.559 0.993 1.00 1.00 C ATOM 681 C ASP A 41 8.109 -6.065 1.912 1.00 1.00 C ATOM 682 O ASP A 41 9.015 -5.364 1.501 1.00 1.00 O ATOM 683 CB ASP A 41 6.499 -5.441 0.041 1.00 1.00 C ATOM 684 CG ASP A 41 7.295 -5.509 -1.267 1.00 1.00 C ATOM 685 OD1 ASP A 41 6.860 -6.209 -2.168 1.00 1.00 O ATOM 686 OD2 ASP A 41 8.323 -4.856 -1.348 1.00 1.00 O ATOM 0 H ASP A 41 5.776 -7.933 2.087 1.00 1.00 H new ATOM 0 HA ASP A 41 7.256 -7.390 0.353 1.00 1.00 H new ATOM 0 HB2 ASP A 41 5.434 -5.542 -0.166 1.00 1.00 H new ATOM 0 HB3 ASP A 41 6.641 -4.469 0.513 1.00 1.00 H new ATOM 691 N GLY A 42 8.069 -6.530 3.172 1.00 1.00 N ATOM 692 CA GLY A 42 9.127 -6.231 4.196 1.00 1.00 C ATOM 693 C GLY A 42 9.191 -4.758 4.625 1.00 1.00 C ATOM 694 O GLY A 42 10.256 -4.167 4.560 1.00 1.00 O ATOM 0 H GLY A 42 7.315 -7.121 3.524 1.00 1.00 H new ATOM 0 HA2 GLY A 42 8.948 -6.847 5.077 1.00 1.00 H new ATOM 0 HA3 GLY A 42 10.098 -6.523 3.795 1.00 1.00 H new ATOM 698 N LYS A 43 8.111 -4.143 5.091 1.00 1.00 N ATOM 699 CA LYS A 43 8.252 -2.714 5.527 1.00 1.00 C ATOM 700 C LYS A 43 7.341 -2.362 6.713 1.00 1.00 C ATOM 701 O LYS A 43 6.285 -2.934 6.908 1.00 1.00 O ATOM 702 CB LYS A 43 7.947 -1.785 4.356 1.00 1.00 C ATOM 703 CG LYS A 43 9.190 -0.954 4.025 1.00 1.00 C ATOM 704 CD LYS A 43 9.885 -1.543 2.795 1.00 1.00 C ATOM 705 CE LYS A 43 11.387 -1.253 2.863 1.00 1.00 C ATOM 706 NZ LYS A 43 12.149 -2.482 2.497 1.00 1.00 N ATOM 0 H LYS A 43 7.182 -4.553 5.183 1.00 1.00 H new ATOM 0 HA LYS A 43 9.282 -2.581 5.859 1.00 1.00 H new ATOM 0 HB2 LYS A 43 7.644 -2.367 3.486 1.00 1.00 H new ATOM 0 HB3 LYS A 43 7.114 -1.128 4.607 1.00 1.00 H new ATOM 0 HG2 LYS A 43 8.908 0.082 3.836 1.00 1.00 H new ATOM 0 HG3 LYS A 43 9.873 -0.948 4.874 1.00 1.00 H new ATOM 0 HD2 LYS A 43 9.714 -2.619 2.749 1.00 1.00 H new ATOM 0 HD3 LYS A 43 9.463 -1.114 1.886 1.00 1.00 H new ATOM 0 HE2 LYS A 43 11.642 -0.439 2.184 1.00 1.00 H new ATOM 0 HE3 LYS A 43 11.660 -0.929 3.867 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 13.156 -2.346 2.721 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 11.781 -3.292 3.036 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 12.042 -2.666 1.479 1.00 1.00 H new ATOM 720 N THR A 44 7.742 -1.362 7.457 1.00 1.00 N ATOM 721 CA THR A 44 6.933 -0.840 8.607 1.00 1.00 C ATOM 722 C THR A 44 7.082 0.684 8.553 1.00 1.00 C ATOM 723 O THR A 44 8.187 1.212 8.647 1.00 1.00 O ATOM 724 CB THR A 44 7.460 -1.380 9.938 1.00 1.00 C ATOM 725 OG1 THR A 44 7.798 -2.756 9.807 1.00 1.00 O ATOM 726 CG2 THR A 44 6.385 -1.213 11.009 1.00 1.00 C ATOM 0 H THR A 44 8.623 -0.870 7.312 1.00 1.00 H new ATOM 0 HA THR A 44 5.891 -1.152 8.535 1.00 1.00 H new ATOM 0 HB THR A 44 8.353 -0.824 10.225 1.00 1.00 H new ATOM 0 HG1 THR A 44 8.136 -3.093 10.663 1.00 1.00 H new ATOM 0 HG21 THR A 44 6.756 -1.596 11.960 1.00 1.00 H new ATOM 0 HG22 THR A 44 6.138 -0.157 11.115 1.00 1.00 H new ATOM 0 HG23 THR A 44 5.492 -1.767 10.718 1.00 1.00 H new ATOM 734 N ARG A 45 5.999 1.395 8.331 1.00 1.00 N ATOM 735 CA ARG A 45 6.118 2.872 8.176 1.00 1.00 C ATOM 736 C ARG A 45 4.908 3.611 8.722 1.00 1.00 C ATOM 737 O ARG A 45 3.838 3.054 8.894 1.00 1.00 O ATOM 738 CB ARG A 45 6.252 3.233 6.683 1.00 1.00 C ATOM 739 CG ARG A 45 7.021 2.150 5.921 1.00 1.00 C ATOM 740 CD ARG A 45 6.083 0.982 5.605 1.00 1.00 C ATOM 741 NE ARG A 45 5.438 1.196 4.284 1.00 1.00 N ATOM 742 CZ ARG A 45 4.243 0.719 4.061 1.00 1.00 C ATOM 743 NH1 ARG A 45 3.255 1.042 4.849 1.00 1.00 N ATOM 744 NH2 ARG A 45 4.033 -0.072 3.045 1.00 1.00 N ATOM 0 H ARG A 45 5.054 1.019 8.252 1.00 1.00 H new ATOM 0 HA ARG A 45 7.000 3.175 8.740 1.00 1.00 H new ATOM 0 HB2 ARG A 45 5.261 3.356 6.245 1.00 1.00 H new ATOM 0 HB3 ARG A 45 6.767 4.188 6.581 1.00 1.00 H new ATOM 0 HG2 ARG A 45 7.430 2.561 4.998 1.00 1.00 H new ATOM 0 HG3 ARG A 45 7.865 1.801 6.516 1.00 1.00 H new ATOM 0 HD2 ARG A 45 6.642 0.046 5.599 1.00 1.00 H new ATOM 0 HD3 ARG A 45 5.323 0.894 6.381 1.00 1.00 H new ATOM 0 HE ARG A 45 5.927 1.714 3.554 1.00 1.00 H new ATOM 0 HH11 ARG A 45 3.416 1.667 5.639 1.00 1.00 H new ATOM 0 HH12 ARG A 45 2.321 0.670 4.675 1.00 1.00 H new ATOM 0 HH21 ARG A 45 4.803 -0.319 2.423 1.00 1.00 H new ATOM 0 HH22 ARG A 45 3.099 -0.444 2.872 1.00 1.00 H new ATOM 758 N LEU A 46 5.063 4.895 8.903 1.00 1.00 N ATOM 759 CA LEU A 46 3.916 5.740 9.337 1.00 1.00 C ATOM 760 C LEU A 46 3.346 6.310 8.034 1.00 1.00 C ATOM 761 O LEU A 46 4.082 6.839 7.216 1.00 1.00 O ATOM 762 CB LEU A 46 4.399 6.878 10.248 1.00 1.00 C ATOM 763 CG LEU A 46 5.379 6.332 11.295 1.00 1.00 C ATOM 764 CD1 LEU A 46 6.792 6.832 10.983 1.00 1.00 C ATOM 765 CD2 LEU A 46 4.967 6.818 12.688 1.00 1.00 C ATOM 0 H LEU A 46 5.941 5.397 8.768 1.00 1.00 H new ATOM 0 HA LEU A 46 3.178 5.175 9.905 1.00 1.00 H new ATOM 0 HB2 LEU A 46 4.884 7.651 9.652 1.00 1.00 H new ATOM 0 HB3 LEU A 46 3.548 7.345 10.743 1.00 1.00 H new ATOM 0 HG LEU A 46 5.362 5.242 11.270 1.00 1.00 H new ATOM 0 HD11 LEU A 46 7.488 6.444 11.727 1.00 1.00 H new ATOM 0 HD12 LEU A 46 7.090 6.487 9.993 1.00 1.00 H new ATOM 0 HD13 LEU A 46 6.806 7.922 11.007 1.00 1.00 H new ATOM 0 HD21 LEU A 46 5.664 6.429 13.430 1.00 1.00 H new ATOM 0 HD22 LEU A 46 4.982 7.908 12.712 1.00 1.00 H new ATOM 0 HD23 LEU A 46 3.961 6.464 12.914 1.00 1.00 H new ATOM 777 N GLY A 47 2.071 6.143 7.789 1.00 1.00 N ATOM 778 CA GLY A 47 1.502 6.601 6.485 1.00 1.00 C ATOM 779 C GLY A 47 0.910 7.997 6.594 1.00 1.00 C ATOM 780 O GLY A 47 0.145 8.301 7.492 1.00 1.00 O ATOM 0 H GLY A 47 1.404 5.713 8.430 1.00 1.00 H new ATOM 0 HA2 GLY A 47 2.282 6.594 5.724 1.00 1.00 H new ATOM 0 HA3 GLY A 47 0.732 5.903 6.158 1.00 1.00 H new ATOM 784 N ARG A 48 1.271 8.847 5.658 1.00 1.00 N ATOM 785 CA ARG A 48 0.750 10.240 5.657 1.00 1.00 C ATOM 786 C ARG A 48 -0.324 10.393 4.579 1.00 1.00 C ATOM 787 O ARG A 48 -0.160 9.961 3.450 1.00 1.00 O ATOM 788 CB ARG A 48 1.884 11.247 5.414 1.00 1.00 C ATOM 789 CG ARG A 48 2.783 10.781 4.261 1.00 1.00 C ATOM 790 CD ARG A 48 3.060 11.949 3.309 1.00 1.00 C ATOM 791 NE ARG A 48 3.639 13.101 4.066 1.00 1.00 N ATOM 792 CZ ARG A 48 3.841 14.250 3.468 1.00 1.00 C ATOM 793 NH1 ARG A 48 2.978 14.700 2.593 1.00 1.00 N ATOM 794 NH2 ARG A 48 4.909 14.951 3.749 1.00 1.00 N ATOM 0 H ARG A 48 1.909 8.627 4.893 1.00 1.00 H new ATOM 0 HA ARG A 48 0.312 10.445 6.634 1.00 1.00 H new ATOM 0 HB2 ARG A 48 1.465 12.226 5.182 1.00 1.00 H new ATOM 0 HB3 ARG A 48 2.477 11.361 6.321 1.00 1.00 H new ATOM 0 HG2 ARG A 48 3.722 10.392 4.655 1.00 1.00 H new ATOM 0 HG3 ARG A 48 2.302 9.966 3.720 1.00 1.00 H new ATOM 0 HD2 ARG A 48 3.750 11.635 2.526 1.00 1.00 H new ATOM 0 HD3 ARG A 48 2.137 12.254 2.817 1.00 1.00 H new ATOM 0 HE ARG A 48 3.878 12.992 5.052 1.00 1.00 H new ATOM 0 HH11 ARG A 48 2.143 14.156 2.374 1.00 1.00 H new ATOM 0 HH12 ARG A 48 3.140 15.595 2.131 1.00 1.00 H new ATOM 0 HH21 ARG A 48 5.582 14.603 4.432 1.00 1.00 H new ATOM 0 HH22 ARG A 48 5.069 15.845 3.285 1.00 1.00 H new ATOM 1056 N ASP A 63 -7.645 -0.373 7.495 1.00 1.00 N ATOM 1057 CA ASP A 63 -7.976 -0.086 6.058 1.00 1.00 C ATOM 1058 C ASP A 63 -6.833 -0.566 5.159 1.00 1.00 C ATOM 1059 O ASP A 63 -5.717 -0.748 5.619 1.00 1.00 O ATOM 1060 CB ASP A 63 -8.164 1.424 5.877 1.00 1.00 C ATOM 1061 CG ASP A 63 -9.535 1.711 5.260 1.00 1.00 C ATOM 1062 OD1 ASP A 63 -10.528 1.510 5.943 1.00 1.00 O ATOM 1063 OD2 ASP A 63 -9.569 2.136 4.117 1.00 1.00 O ATOM 0 HA ASP A 63 -8.893 -0.608 5.785 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -8.077 1.928 6.840 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -7.377 1.822 5.236 1.00 1.00 H new ATOM 1068 N VAL A 64 -7.076 -0.752 3.876 1.00 1.00 N ATOM 1069 CA VAL A 64 -5.960 -1.194 2.981 1.00 1.00 C ATOM 1070 C VAL A 64 -5.416 0.028 2.252 1.00 1.00 C ATOM 1071 O VAL A 64 -6.163 0.852 1.751 1.00 1.00 O ATOM 1072 CB VAL A 64 -6.431 -2.257 1.978 1.00 1.00 C ATOM 1073 CG1 VAL A 64 -7.717 -1.812 1.276 1.00 1.00 C ATOM 1074 CG2 VAL A 64 -5.337 -2.489 0.931 1.00 1.00 C ATOM 0 H VAL A 64 -7.980 -0.619 3.422 1.00 1.00 H new ATOM 0 HA VAL A 64 -5.175 -1.651 3.584 1.00 1.00 H new ATOM 0 HB VAL A 64 -6.632 -3.181 2.521 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -8.031 -2.581 0.570 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -8.501 -1.657 2.017 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -7.535 -0.880 0.740 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -5.670 -3.243 0.218 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -5.134 -1.557 0.404 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -4.428 -2.832 1.425 1.00 1.00 H new ATOM 1084 N VAL A 65 -4.116 0.165 2.218 1.00 1.00 N ATOM 1085 CA VAL A 65 -3.509 1.355 1.554 1.00 1.00 C ATOM 1086 C VAL A 65 -2.266 0.969 0.755 1.00 1.00 C ATOM 1087 O VAL A 65 -1.519 0.077 1.123 1.00 1.00 O ATOM 1088 CB VAL A 65 -3.088 2.387 2.622 1.00 1.00 C ATOM 1089 CG1 VAL A 65 -4.304 2.886 3.398 1.00 1.00 C ATOM 1090 CG2 VAL A 65 -2.104 1.751 3.608 1.00 1.00 C ATOM 0 H VAL A 65 -3.450 -0.495 2.621 1.00 1.00 H new ATOM 0 HA VAL A 65 -4.256 1.775 0.880 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.615 3.226 2.112 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -3.985 3.612 4.146 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -5.006 3.357 2.710 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -4.790 2.045 3.893 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -1.813 2.487 4.357 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -2.579 0.901 4.099 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -1.219 1.411 3.070 1.00 1.00 H new ATOM 1100 N ILE A 66 -2.001 1.699 -0.300 1.00 1.00 N ATOM 1101 CA ILE A 66 -0.754 1.453 -1.090 1.00 1.00 C ATOM 1102 C ILE A 66 0.232 2.520 -0.615 1.00 1.00 C ATOM 1103 O ILE A 66 -0.183 3.629 -0.289 1.00 1.00 O ATOM 1104 CB ILE A 66 -1.013 1.568 -2.606 1.00 1.00 C ATOM 1105 CG1 ILE A 66 -1.274 3.026 -2.993 1.00 1.00 C ATOM 1106 CG2 ILE A 66 -2.226 0.717 -2.992 1.00 1.00 C ATOM 1107 CD1 ILE A 66 -0.031 3.610 -3.668 1.00 1.00 C ATOM 0 H ILE A 66 -2.593 2.453 -0.648 1.00 1.00 H new ATOM 0 HA ILE A 66 -0.371 0.445 -0.935 1.00 1.00 H new ATOM 0 HB ILE A 66 -0.131 1.210 -3.137 1.00 1.00 H new ATOM 0 HG12 ILE A 66 -2.128 3.086 -3.667 1.00 1.00 H new ATOM 0 HG13 ILE A 66 -1.526 3.608 -2.107 1.00 1.00 H new ATOM 0 HG21 ILE A 66 -2.404 0.802 -4.064 1.00 1.00 H new ATOM 0 HG22 ILE A 66 -2.035 -0.326 -2.738 1.00 1.00 H new ATOM 0 HG23 ILE A 66 -3.104 1.068 -2.449 1.00 1.00 H new ATOM 0 HD11 ILE A 66 -0.220 4.648 -3.942 1.00 1.00 H new ATOM 0 HD12 ILE A 66 0.812 3.564 -2.979 1.00 1.00 H new ATOM 0 HD13 ILE A 66 0.201 3.034 -4.564 1.00 1.00 H new ATOM 1119 N VAL A 67 1.505 2.216 -0.483 1.00 1.00 N ATOM 1120 CA VAL A 67 2.410 3.270 0.071 1.00 1.00 C ATOM 1121 C VAL A 67 3.786 3.344 -0.607 1.00 1.00 C ATOM 1122 O VAL A 67 4.314 2.376 -1.144 1.00 1.00 O ATOM 1123 CB VAL A 67 2.603 3.035 1.587 1.00 1.00 C ATOM 1124 CG1 VAL A 67 1.653 1.941 2.093 1.00 1.00 C ATOM 1125 CG2 VAL A 67 4.042 2.607 1.882 1.00 1.00 C ATOM 0 H VAL A 67 1.939 1.325 -0.723 1.00 1.00 H new ATOM 0 HA VAL A 67 1.920 4.223 -0.128 1.00 1.00 H new ATOM 0 HB VAL A 67 2.384 3.973 2.098 1.00 1.00 H new ATOM 0 HG11 VAL A 67 1.806 1.792 3.162 1.00 1.00 H new ATOM 0 HG12 VAL A 67 0.621 2.243 1.913 1.00 1.00 H new ATOM 0 HG13 VAL A 67 1.856 1.010 1.564 1.00 1.00 H new ATOM 0 HG21 VAL A 67 4.161 2.446 2.953 1.00 1.00 H new ATOM 0 HG22 VAL A 67 4.263 1.682 1.349 1.00 1.00 H new ATOM 0 HG23 VAL A 67 4.728 3.388 1.554 1.00 1.00 H new ATOM 1135 N LYS A 68 4.378 4.520 -0.492 1.00 1.00 N ATOM 1136 CA LYS A 68 5.748 4.772 -1.019 1.00 1.00 C ATOM 1137 C LYS A 68 6.734 4.715 0.161 1.00 1.00 C ATOM 1138 O LYS A 68 6.333 4.951 1.287 1.00 1.00 O ATOM 1139 CB LYS A 68 5.802 6.134 -1.743 1.00 1.00 C ATOM 1140 CG LYS A 68 6.160 7.264 -0.771 1.00 1.00 C ATOM 1141 CD LYS A 68 6.602 8.501 -1.560 1.00 1.00 C ATOM 1142 CE LYS A 68 5.385 9.148 -2.230 1.00 1.00 C ATOM 1143 NZ LYS A 68 5.822 9.912 -3.435 1.00 1.00 N ATOM 0 H LYS A 68 3.948 5.328 -0.042 1.00 1.00 H new ATOM 0 HA LYS A 68 6.022 4.012 -1.751 1.00 1.00 H new ATOM 0 HB2 LYS A 68 6.539 6.094 -2.545 1.00 1.00 H new ATOM 0 HB3 LYS A 68 4.837 6.341 -2.206 1.00 1.00 H new ATOM 0 HG2 LYS A 68 5.300 7.507 -0.147 1.00 1.00 H new ATOM 0 HG3 LYS A 68 6.958 6.943 -0.102 1.00 1.00 H new ATOM 0 HD2 LYS A 68 7.085 9.216 -0.894 1.00 1.00 H new ATOM 0 HD3 LYS A 68 7.338 8.220 -2.314 1.00 1.00 H new ATOM 0 HE2 LYS A 68 4.664 8.382 -2.515 1.00 1.00 H new ATOM 0 HE3 LYS A 68 4.882 9.813 -1.528 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 4.994 10.350 -3.887 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 6.494 10.653 -3.151 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 6.283 9.266 -4.107 1.00 1.00 H new ATOM 1157 N PRO A 69 7.982 4.382 -0.119 1.00 1.00 N ATOM 1158 CA PRO A 69 9.025 4.246 0.924 1.00 1.00 C ATOM 1159 C PRO A 69 9.763 5.569 1.182 1.00 1.00 C ATOM 1160 O PRO A 69 9.994 6.366 0.289 1.00 1.00 O ATOM 1161 CB PRO A 69 10.000 3.252 0.296 1.00 1.00 C ATOM 1162 CG PRO A 69 9.805 3.354 -1.242 1.00 1.00 C ATOM 1163 CD PRO A 69 8.457 4.066 -1.479 1.00 1.00 C ATOM 0 HA PRO A 69 8.606 3.940 1.883 1.00 1.00 H new ATOM 0 HB2 PRO A 69 11.027 3.488 0.573 1.00 1.00 H new ATOM 0 HB3 PRO A 69 9.800 2.239 0.646 1.00 1.00 H new ATOM 0 HG2 PRO A 69 10.622 3.913 -1.698 1.00 1.00 H new ATOM 0 HG3 PRO A 69 9.803 2.364 -1.697 1.00 1.00 H new ATOM 0 HD2 PRO A 69 8.581 4.968 -2.079 1.00 1.00 H new ATOM 0 HD3 PRO A 69 7.753 3.424 -2.009 1.00 1.00 H new ATOM 1171 N TRP A 70 10.106 5.793 2.431 1.00 1.00 N ATOM 1172 CA TRP A 70 10.804 7.044 2.855 1.00 1.00 C ATOM 1173 C TRP A 70 12.098 6.643 3.552 1.00 1.00 C ATOM 1174 O TRP A 70 12.031 5.976 4.587 1.00 1.00 O ATOM 1175 CB TRP A 70 10.012 7.805 3.915 1.00 1.00 C ATOM 1176 CG TRP A 70 8.898 8.448 3.293 1.00 1.00 C ATOM 1177 CD1 TRP A 70 8.139 7.861 2.388 1.00 1.00 C ATOM 1178 CD2 TRP A 70 8.375 9.772 3.514 1.00 1.00 C ATOM 1179 NE1 TRP A 70 7.186 8.713 2.020 1.00 1.00 N ATOM 1180 CE2 TRP A 70 7.272 9.916 2.680 1.00 1.00 C ATOM 1181 CE3 TRP A 70 8.742 10.848 4.340 1.00 1.00 C ATOM 1182 CZ2 TRP A 70 6.538 11.072 2.648 1.00 1.00 C ATOM 1183 CZ3 TRP A 70 7.998 12.037 4.315 1.00 1.00 C ATOM 1184 CH2 TRP A 70 6.892 12.148 3.466 1.00 1.00 C ATOM 0 H TRP A 70 9.924 5.139 3.192 1.00 1.00 H new ATOM 0 HA TRP A 70 10.944 7.660 1.967 1.00 1.00 H new ATOM 0 HB2 TRP A 70 9.667 7.121 4.690 1.00 1.00 H new ATOM 0 HB3 TRP A 70 10.649 8.543 4.402 1.00 1.00 H new ATOM 0 HD1 TRP A 70 8.269 6.858 2.010 1.00 1.00 H new ATOM 0 HE1 TRP A 70 6.471 8.498 1.325 1.00 1.00 H new ATOM 0 HE3 TRP A 70 9.597 10.760 4.994 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 5.685 11.152 1.990 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 8.278 12.865 4.950 1.00 1.00 H new ATOM 0 HH2 TRP A 70 6.315 13.060 3.443 1.00 1.00 H new ATOM 1262 N GLN A 76 10.588 3.409 8.838 1.00 1.00 N ATOM 1263 CA GLN A 76 10.361 3.914 7.456 1.00 1.00 C ATOM 1264 C GLN A 76 9.154 4.855 7.419 1.00 1.00 C ATOM 1265 O GLN A 76 8.199 4.696 8.158 1.00 1.00 O ATOM 1266 CB GLN A 76 10.121 2.729 6.516 1.00 1.00 C ATOM 1267 CG GLN A 76 11.438 1.984 6.280 1.00 1.00 C ATOM 1268 CD GLN A 76 12.337 2.807 5.354 1.00 1.00 C ATOM 1269 OE1 GLN A 76 12.139 2.828 4.155 1.00 1.00 O ATOM 1270 NE2 GLN A 76 13.325 3.494 5.864 1.00 1.00 N ATOM 0 HA GLN A 76 11.242 4.468 7.133 1.00 1.00 H new ATOM 0 HB2 GLN A 76 9.382 2.054 6.947 1.00 1.00 H new ATOM 0 HB3 GLN A 76 9.716 3.081 5.567 1.00 1.00 H new ATOM 0 HG2 GLN A 76 11.942 1.807 7.230 1.00 1.00 H new ATOM 0 HG3 GLN A 76 11.241 1.008 5.838 1.00 1.00 H new ATOM 0 HE21 GLN A 76 13.492 3.477 6.870 1.00 1.00 H new ATOM 0 HE22 GLN A 76 13.929 4.047 5.256 1.00 1.00 H new ATOM 1279 N LYS A 77 9.179 5.818 6.534 1.00 1.00 N ATOM 1280 CA LYS A 77 8.001 6.746 6.407 1.00 1.00 C ATOM 1281 C LYS A 77 7.305 6.388 5.111 1.00 1.00 C ATOM 1282 O LYS A 77 7.930 5.855 4.220 1.00 1.00 O ATOM 1283 CB LYS A 77 8.458 8.208 6.393 1.00 1.00 C ATOM 1284 CG LYS A 77 8.197 8.836 7.764 1.00 1.00 C ATOM 1285 CD LYS A 77 8.828 10.230 7.819 1.00 1.00 C ATOM 1286 CE LYS A 77 8.963 10.671 9.279 1.00 1.00 C ATOM 1287 NZ LYS A 77 7.635 11.111 9.797 1.00 1.00 N ATOM 0 H LYS A 77 9.953 6.006 5.897 1.00 1.00 H new ATOM 0 HA LYS A 77 7.326 6.636 7.256 1.00 1.00 H new ATOM 0 HB2 LYS A 77 9.519 8.266 6.150 1.00 1.00 H new ATOM 0 HB3 LYS A 77 7.923 8.760 5.620 1.00 1.00 H new ATOM 0 HG2 LYS A 77 7.124 8.904 7.946 1.00 1.00 H new ATOM 0 HG3 LYS A 77 8.614 8.206 8.549 1.00 1.00 H new ATOM 0 HD2 LYS A 77 9.807 10.217 7.340 1.00 1.00 H new ATOM 0 HD3 LYS A 77 8.213 10.942 7.268 1.00 1.00 H new ATOM 0 HE2 LYS A 77 9.345 9.848 9.883 1.00 1.00 H new ATOM 0 HE3 LYS A 77 9.683 11.486 9.358 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 7.731 11.410 10.789 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 7.287 11.908 9.227 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 6.960 10.322 9.737 1.00 1.00 H new ATOM 1301 N CYS A 78 6.038 6.610 4.968 1.00 1.00 N ATOM 1302 CA CYS A 78 5.408 6.216 3.680 1.00 1.00 C ATOM 1303 C CYS A 78 4.318 7.183 3.268 1.00 1.00 C ATOM 1304 O CYS A 78 3.667 7.795 4.098 1.00 1.00 O ATOM 1305 CB CYS A 78 4.823 4.809 3.801 1.00 1.00 C ATOM 1306 SG CYS A 78 3.634 4.748 5.161 1.00 1.00 S ATOM 0 H CYS A 78 5.422 7.034 5.661 1.00 1.00 H new ATOM 0 HA CYS A 78 6.182 6.235 2.913 1.00 1.00 H new ATOM 0 HB2 CYS A 78 4.335 4.528 2.868 1.00 1.00 H new ATOM 0 HB3 CYS A 78 5.622 4.088 3.973 1.00 1.00 H new ATOM 0 HG CYS A 78 4.112 5.392 6.184 1.00 1.00 H new ATOM 1312 N ASP A 79 4.056 7.260 1.987 1.00 1.00 N ATOM 1313 CA ASP A 79 2.925 8.124 1.531 1.00 1.00 C ATOM 1314 C ASP A 79 1.795 7.139 1.317 1.00 1.00 C ATOM 1315 O ASP A 79 1.942 6.194 0.564 1.00 1.00 O ATOM 1316 CB ASP A 79 3.270 8.845 0.225 1.00 1.00 C ATOM 1317 CG ASP A 79 2.370 10.075 0.061 1.00 1.00 C ATOM 1318 OD1 ASP A 79 1.191 9.894 -0.204 1.00 1.00 O ATOM 1319 OD2 ASP A 79 2.874 11.177 0.203 1.00 1.00 O ATOM 0 H ASP A 79 4.565 6.772 1.250 1.00 1.00 H new ATOM 0 HA ASP A 79 2.680 8.910 2.246 1.00 1.00 H new ATOM 0 HB2 ASP A 79 4.317 9.147 0.231 1.00 1.00 H new ATOM 0 HB3 ASP A 79 3.137 8.170 -0.620 1.00 1.00 H new ATOM 1324 N ILE A 80 0.719 7.271 2.032 1.00 1.00 N ATOM 1325 CA ILE A 80 -0.334 6.229 1.913 1.00 1.00 C ATOM 1326 C ILE A 80 -1.673 6.762 1.401 1.00 1.00 C ATOM 1327 O ILE A 80 -2.095 7.858 1.714 1.00 1.00 O ATOM 1328 CB ILE A 80 -0.515 5.588 3.309 1.00 1.00 C ATOM 1329 CG1 ILE A 80 -0.039 4.139 3.264 1.00 1.00 C ATOM 1330 CG2 ILE A 80 -1.983 5.617 3.756 1.00 1.00 C ATOM 1331 CD1 ILE A 80 0.356 3.683 4.671 1.00 1.00 C ATOM 0 H ILE A 80 0.523 8.035 2.679 1.00 1.00 H new ATOM 0 HA ILE A 80 -0.008 5.501 1.170 1.00 1.00 H new ATOM 0 HB ILE A 80 0.073 6.164 4.024 1.00 1.00 H new ATOM 0 HG12 ILE A 80 -0.829 3.498 2.872 1.00 1.00 H new ATOM 0 HG13 ILE A 80 0.812 4.046 2.589 1.00 1.00 H new ATOM 0 HG21 ILE A 80 -2.073 5.158 4.741 1.00 1.00 H new ATOM 0 HG22 ILE A 80 -2.328 6.650 3.804 1.00 1.00 H new ATOM 0 HG23 ILE A 80 -2.592 5.063 3.041 1.00 1.00 H new ATOM 0 HD11 ILE A 80 0.696 2.648 4.636 1.00 1.00 H new ATOM 0 HD12 ILE A 80 1.160 4.316 5.046 1.00 1.00 H new ATOM 0 HD13 ILE A 80 -0.506 3.760 5.334 1.00 1.00 H new ATOM 1343 N ILE A 81 -2.361 5.919 0.670 1.00 1.00 N ATOM 1344 CA ILE A 81 -3.729 6.253 0.174 1.00 1.00 C ATOM 1345 C ILE A 81 -4.628 5.103 0.647 1.00 1.00 C ATOM 1346 O ILE A 81 -4.359 3.942 0.359 1.00 1.00 O ATOM 1347 CB ILE A 81 -3.757 6.393 -1.356 1.00 1.00 C ATOM 1348 CG1 ILE A 81 -3.081 5.192 -2.017 1.00 1.00 C ATOM 1349 CG2 ILE A 81 -3.018 7.672 -1.761 1.00 1.00 C ATOM 1350 CD1 ILE A 81 -3.856 4.799 -3.276 1.00 1.00 C ATOM 0 H ILE A 81 -2.024 4.997 0.392 1.00 1.00 H new ATOM 0 HA ILE A 81 -4.069 7.214 0.561 1.00 1.00 H new ATOM 0 HB ILE A 81 -4.795 6.439 -1.685 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -2.050 5.437 -2.273 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -3.046 4.353 -1.322 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -3.036 7.774 -2.846 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -3.507 8.534 -1.307 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -1.985 7.619 -1.419 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -3.374 3.943 -3.747 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -4.879 4.537 -3.006 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -3.868 5.637 -3.972 1.00 1.00 H new ATOM 1362 N TRP A 82 -5.636 5.409 1.436 1.00 1.00 N ATOM 1363 CA TRP A 82 -6.500 4.328 2.016 1.00 1.00 C ATOM 1364 C TRP A 82 -7.797 4.115 1.233 1.00 1.00 C ATOM 1365 O TRP A 82 -8.264 4.974 0.506 1.00 1.00 O ATOM 1366 CB TRP A 82 -6.812 4.662 3.491 1.00 1.00 C ATOM 1367 CG TRP A 82 -7.924 5.669 3.612 1.00 1.00 C ATOM 1368 CD1 TRP A 82 -8.093 6.762 2.827 1.00 1.00 C ATOM 1369 CD2 TRP A 82 -9.016 5.695 4.580 1.00 1.00 C ATOM 1370 NE1 TRP A 82 -9.218 7.446 3.247 1.00 1.00 N ATOM 1371 CE2 TRP A 82 -9.821 6.829 4.324 1.00 1.00 C ATOM 1372 CE3 TRP A 82 -9.383 4.851 5.643 1.00 1.00 C ATOM 1373 CZ2 TRP A 82 -10.949 7.115 5.094 1.00 1.00 C ATOM 1374 CZ3 TRP A 82 -10.518 5.136 6.420 1.00 1.00 C ATOM 1375 CH2 TRP A 82 -11.299 6.266 6.145 1.00 1.00 C ATOM 0 H TRP A 82 -5.896 6.359 1.702 1.00 1.00 H new ATOM 0 HA TRP A 82 -5.944 3.393 1.949 1.00 1.00 H new ATOM 0 HB2 TRP A 82 -7.088 3.750 4.020 1.00 1.00 H new ATOM 0 HB3 TRP A 82 -5.915 5.051 3.973 1.00 1.00 H new ATOM 0 HD1 TRP A 82 -7.452 7.051 2.007 1.00 1.00 H new ATOM 0 HE1 TRP A 82 -9.561 8.303 2.813 1.00 1.00 H new ATOM 0 HE3 TRP A 82 -8.788 3.977 5.864 1.00 1.00 H new ATOM 0 HZ2 TRP A 82 -11.547 7.988 4.878 1.00 1.00 H new ATOM 0 HZ3 TRP A 82 -10.790 4.480 7.234 1.00 1.00 H new ATOM 0 HH2 TRP A 82 -12.171 6.480 6.745 1.00 1.00 H new ATOM 1386 N ARG A 83 -8.363 2.940 1.396 1.00 1.00 N ATOM 1387 CA ARG A 83 -9.627 2.576 0.694 1.00 1.00 C ATOM 1388 C ARG A 83 -10.083 1.180 1.161 1.00 1.00 C ATOM 1389 O ARG A 83 -9.312 0.420 1.732 1.00 1.00 O ATOM 1390 CB ARG A 83 -9.373 2.549 -0.820 1.00 1.00 C ATOM 1391 CG ARG A 83 -10.648 2.934 -1.576 1.00 1.00 C ATOM 1392 CD ARG A 83 -10.969 4.411 -1.332 1.00 1.00 C ATOM 1393 NE ARG A 83 -12.047 4.850 -2.265 1.00 1.00 N ATOM 1394 CZ ARG A 83 -13.239 4.312 -2.191 1.00 1.00 C ATOM 1395 NH1 ARG A 83 -13.996 4.538 -1.149 1.00 1.00 N ATOM 1396 NH2 ARG A 83 -13.669 3.547 -3.162 1.00 1.00 N ATOM 0 H ARG A 83 -7.990 2.207 1.999 1.00 1.00 H new ATOM 0 HA ARG A 83 -10.401 3.309 0.923 1.00 1.00 H new ATOM 0 HB2 ARG A 83 -8.568 3.239 -1.074 1.00 1.00 H new ATOM 0 HB3 ARG A 83 -9.047 1.554 -1.124 1.00 1.00 H new ATOM 0 HG2 ARG A 83 -10.518 2.752 -2.643 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -11.480 2.312 -1.245 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -11.285 4.559 -0.299 1.00 1.00 H new ATOM 0 HD3 ARG A 83 -10.076 5.017 -1.482 1.00 1.00 H new ATOM 0 HE ARG A 83 -11.856 5.570 -2.962 1.00 1.00 H new ATOM 0 HH11 ARG A 83 -13.658 5.134 -0.393 1.00 1.00 H new ATOM 0 HH12 ARG A 83 -14.924 4.119 -1.092 1.00 1.00 H new ATOM 0 HH21 ARG A 83 -13.076 3.371 -3.973 1.00 1.00 H new ATOM 0 HH22 ARG A 83 -14.597 3.127 -3.107 1.00 1.00 H new ATOM 1498 N VAL A 89 -4.100 -5.553 -0.234 1.00 1.00 N ATOM 1499 CA VAL A 89 -2.637 -5.861 -0.077 1.00 1.00 C ATOM 1500 C VAL A 89 -2.317 -7.242 -0.672 1.00 1.00 C ATOM 1501 O VAL A 89 -1.253 -7.442 -1.230 1.00 1.00 O ATOM 1502 CB VAL A 89 -2.244 -5.835 1.410 1.00 1.00 C ATOM 1503 CG1 VAL A 89 -2.226 -4.388 1.910 1.00 1.00 C ATOM 1504 CG2 VAL A 89 -3.246 -6.648 2.238 1.00 1.00 C ATOM 0 HA VAL A 89 -2.065 -5.102 -0.610 1.00 1.00 H new ATOM 0 HB VAL A 89 -1.253 -6.275 1.521 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -1.947 -4.371 2.964 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -1.501 -3.813 1.334 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -3.216 -3.949 1.789 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -2.956 -6.621 3.288 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -4.242 -6.221 2.126 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -3.253 -7.681 1.890 1.00 1.00 H new ATOM 1514 N GLU A 90 -3.227 -8.189 -0.567 1.00 1.00 N ATOM 1515 CA GLU A 90 -2.976 -9.550 -1.141 1.00 1.00 C ATOM 1516 C GLU A 90 -2.660 -9.416 -2.637 1.00 1.00 C ATOM 1517 O GLU A 90 -1.754 -10.051 -3.146 1.00 1.00 O ATOM 1518 CB GLU A 90 -4.222 -10.425 -0.954 1.00 1.00 C ATOM 1519 CG GLU A 90 -3.809 -11.901 -0.886 1.00 1.00 C ATOM 1520 CD GLU A 90 -3.960 -12.415 0.549 1.00 1.00 C ATOM 1521 OE1 GLU A 90 -3.034 -12.235 1.324 1.00 1.00 O ATOM 1522 OE2 GLU A 90 -4.998 -12.984 0.849 1.00 1.00 O ATOM 0 H GLU A 90 -4.131 -8.075 -0.108 1.00 1.00 H new ATOM 0 HA GLU A 90 -2.133 -10.013 -0.629 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -4.745 -10.141 -0.041 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -4.916 -10.269 -1.780 1.00 1.00 H new ATOM 0 HG2 GLU A 90 -4.427 -12.493 -1.561 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -2.777 -12.015 -1.216 1.00 1.00 H new ATOM 1529 N TRP A 91 -3.395 -8.575 -3.335 1.00 1.00 N ATOM 1530 CA TRP A 91 -3.142 -8.364 -4.794 1.00 1.00 C ATOM 1531 C TRP A 91 -1.758 -7.727 -4.978 1.00 1.00 C ATOM 1532 O TRP A 91 -1.006 -8.109 -5.856 1.00 1.00 O ATOM 1533 CB TRP A 91 -4.224 -7.437 -5.366 1.00 1.00 C ATOM 1534 CG TRP A 91 -3.851 -6.999 -6.750 1.00 1.00 C ATOM 1535 CD1 TRP A 91 -3.958 -7.761 -7.862 1.00 1.00 C ATOM 1536 CD2 TRP A 91 -3.315 -5.714 -7.184 1.00 1.00 C ATOM 1537 NE1 TRP A 91 -3.523 -7.027 -8.950 1.00 1.00 N ATOM 1538 CE2 TRP A 91 -3.117 -5.759 -8.584 1.00 1.00 C ATOM 1539 CE3 TRP A 91 -2.985 -4.526 -6.505 1.00 1.00 C ATOM 1540 CZ2 TRP A 91 -2.610 -4.665 -9.287 1.00 1.00 C ATOM 1541 CZ3 TRP A 91 -2.474 -3.423 -7.210 1.00 1.00 C ATOM 1542 CH2 TRP A 91 -2.288 -3.493 -8.597 1.00 1.00 C ATOM 0 H TRP A 91 -4.163 -8.025 -2.950 1.00 1.00 H new ATOM 0 HA TRP A 91 -3.172 -9.319 -5.319 1.00 1.00 H new ATOM 0 HB2 TRP A 91 -5.183 -7.955 -5.387 1.00 1.00 H new ATOM 0 HB3 TRP A 91 -4.345 -6.566 -4.721 1.00 1.00 H new ATOM 0 HD1 TRP A 91 -4.323 -8.777 -7.895 1.00 1.00 H new ATOM 0 HE1 TRP A 91 -3.504 -7.379 -9.907 1.00 1.00 H new ATOM 0 HE3 TRP A 91 -3.125 -4.462 -5.436 1.00 1.00 H new ATOM 0 HZ2 TRP A 91 -2.468 -4.724 -10.356 1.00 1.00 H new ATOM 0 HZ3 TRP A 91 -2.223 -2.516 -6.680 1.00 1.00 H new ATOM 0 HH2 TRP A 91 -1.896 -2.641 -9.133 1.00 1.00 H new ATOM 1553 N LEU A 92 -1.421 -6.762 -4.149 1.00 1.00 N ATOM 1554 CA LEU A 92 -0.086 -6.092 -4.254 1.00 1.00 C ATOM 1555 C LEU A 92 1.030 -7.129 -4.061 1.00 1.00 C ATOM 1556 O LEU A 92 2.078 -7.037 -4.674 1.00 1.00 O ATOM 1557 CB LEU A 92 0.033 -5.009 -3.176 1.00 1.00 C ATOM 1558 CG LEU A 92 -0.593 -3.703 -3.680 1.00 1.00 C ATOM 1559 CD1 LEU A 92 -1.969 -3.512 -3.040 1.00 1.00 C ATOM 1560 CD2 LEU A 92 0.309 -2.525 -3.303 1.00 1.00 C ATOM 0 H LEU A 92 -2.019 -6.410 -3.401 1.00 1.00 H new ATOM 0 HA LEU A 92 0.010 -5.636 -5.239 1.00 1.00 H new ATOM 0 HB2 LEU A 92 -0.467 -5.334 -2.264 1.00 1.00 H new ATOM 0 HB3 LEU A 92 1.081 -4.847 -2.924 1.00 1.00 H new ATOM 0 HG LEU A 92 -0.700 -3.750 -4.764 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -2.412 -2.583 -3.400 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -2.614 -4.349 -3.307 1.00 1.00 H new ATOM 0 HD13 LEU A 92 -1.863 -3.467 -1.956 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -0.136 -1.597 -3.661 1.00 1.00 H new ATOM 0 HD22 LEU A 92 0.416 -2.481 -2.219 1.00 1.00 H new ATOM 0 HD23 LEU A 92 1.290 -2.657 -3.760 1.00 1.00 H new ATOM 1572 N LYS A 93 0.809 -8.115 -3.216 1.00 1.00 N ATOM 1573 CA LYS A 93 1.849 -9.166 -2.979 1.00 1.00 C ATOM 1574 C LYS A 93 2.095 -9.945 -4.277 1.00 1.00 C ATOM 1575 O LYS A 93 3.212 -10.015 -4.763 1.00 1.00 O ATOM 1576 CB LYS A 93 1.360 -10.130 -1.893 1.00 1.00 C ATOM 1577 CG LYS A 93 2.038 -9.796 -0.563 1.00 1.00 C ATOM 1578 CD LYS A 93 1.795 -10.934 0.432 1.00 1.00 C ATOM 1579 CE LYS A 93 3.131 -11.400 1.017 1.00 1.00 C ATOM 1580 NZ LYS A 93 3.019 -12.826 1.438 1.00 1.00 N ATOM 0 H LYS A 93 -0.051 -8.234 -2.680 1.00 1.00 H new ATOM 0 HA LYS A 93 2.777 -8.693 -2.657 1.00 1.00 H new ATOM 0 HB2 LYS A 93 0.277 -10.057 -1.789 1.00 1.00 H new ATOM 0 HB3 LYS A 93 1.584 -11.158 -2.178 1.00 1.00 H new ATOM 0 HG2 LYS A 93 3.108 -9.652 -0.714 1.00 1.00 H new ATOM 0 HG3 LYS A 93 1.644 -8.861 -0.166 1.00 1.00 H new ATOM 0 HD2 LYS A 93 1.135 -10.597 1.231 1.00 1.00 H new ATOM 0 HD3 LYS A 93 1.295 -11.765 -0.066 1.00 1.00 H new ATOM 0 HE2 LYS A 93 3.923 -11.290 0.276 1.00 1.00 H new ATOM 0 HE3 LYS A 93 3.403 -10.778 1.870 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 3.926 -13.143 1.835 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 2.275 -12.918 2.158 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 2.778 -13.413 0.614 1.00 1.00 H new ATOM 1594 N ARG A 94 1.054 -10.515 -4.850 1.00 1.00 N ATOM 1595 CA ARG A 94 1.213 -11.281 -6.128 1.00 1.00 C ATOM 1596 C ARG A 94 1.768 -10.346 -7.206 1.00 1.00 C ATOM 1597 O ARG A 94 2.575 -10.742 -8.028 1.00 1.00 O ATOM 1598 CB ARG A 94 -0.146 -11.829 -6.573 1.00 1.00 C ATOM 1599 CG ARG A 94 0.043 -13.220 -7.184 1.00 1.00 C ATOM 1600 CD ARG A 94 -1.129 -14.120 -6.784 1.00 1.00 C ATOM 1601 NE ARG A 94 -1.832 -14.598 -8.010 1.00 1.00 N ATOM 1602 CZ ARG A 94 -2.830 -15.433 -7.906 1.00 1.00 C ATOM 1603 NH1 ARG A 94 -2.605 -16.722 -7.900 1.00 1.00 N ATOM 1604 NH2 ARG A 94 -4.054 -14.980 -7.808 1.00 1.00 N ATOM 0 H ARG A 94 0.102 -10.481 -4.485 1.00 1.00 H new ATOM 0 HA ARG A 94 1.900 -12.113 -5.974 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -0.825 -11.882 -5.722 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -0.600 -11.158 -7.302 1.00 1.00 H new ATOM 0 HG2 ARG A 94 0.104 -13.146 -8.270 1.00 1.00 H new ATOM 0 HG3 ARG A 94 0.982 -13.654 -6.841 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -0.767 -14.970 -6.205 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -1.821 -13.571 -6.146 1.00 1.00 H new ATOM 0 HE ARG A 94 -1.533 -14.272 -8.929 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -1.651 -17.073 -7.977 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -3.384 -17.375 -7.819 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -4.228 -13.975 -7.813 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -4.834 -15.632 -7.727 1.00 1.00 H new ATOM 1618 N LYS A 95 1.348 -9.104 -7.188 1.00 1.00 N ATOM 1619 CA LYS A 95 1.843 -8.109 -8.181 1.00 1.00 C ATOM 1620 C LYS A 95 3.349 -7.882 -7.973 1.00 1.00 C ATOM 1621 O LYS A 95 4.077 -7.644 -8.919 1.00 1.00 O ATOM 1622 CB LYS A 95 1.093 -6.788 -7.983 1.00 1.00 C ATOM 1623 CG LYS A 95 1.200 -5.935 -9.248 1.00 1.00 C ATOM 1624 CD LYS A 95 1.132 -4.453 -8.870 1.00 1.00 C ATOM 1625 CE LYS A 95 1.551 -3.598 -10.067 1.00 1.00 C ATOM 1626 NZ LYS A 95 0.378 -3.380 -10.963 1.00 1.00 N ATOM 0 H LYS A 95 0.674 -8.736 -6.517 1.00 1.00 H new ATOM 0 HA LYS A 95 1.672 -8.481 -9.191 1.00 1.00 H new ATOM 0 HB2 LYS A 95 0.046 -6.985 -7.754 1.00 1.00 H new ATOM 0 HB3 LYS A 95 1.509 -6.247 -7.133 1.00 1.00 H new ATOM 0 HG2 LYS A 95 2.136 -6.147 -9.765 1.00 1.00 H new ATOM 0 HG3 LYS A 95 0.392 -6.183 -9.937 1.00 1.00 H new ATOM 0 HD2 LYS A 95 0.120 -4.192 -8.561 1.00 1.00 H new ATOM 0 HD3 LYS A 95 1.786 -4.254 -8.021 1.00 1.00 H new ATOM 0 HE2 LYS A 95 1.942 -2.640 -9.723 1.00 1.00 H new ATOM 0 HE3 LYS A 95 2.353 -4.091 -10.616 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 0.500 -2.488 -11.483 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 0.306 -4.168 -11.638 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -0.490 -3.332 -10.393 1.00 1.00 H new ATOM 1640 N GLY A 96 3.814 -7.952 -6.741 1.00 1.00 N ATOM 1641 CA GLY A 96 5.267 -7.738 -6.458 1.00 1.00 C ATOM 1642 C GLY A 96 6.098 -8.851 -7.105 1.00 1.00 C ATOM 1643 O GLY A 96 7.123 -8.595 -7.708 1.00 1.00 O ATOM 0 H GLY A 96 3.242 -8.149 -5.920 1.00 1.00 H new ATOM 0 HA2 GLY A 96 5.582 -6.768 -6.843 1.00 1.00 H new ATOM 0 HA3 GLY A 96 5.438 -7.725 -5.382 1.00 1.00 H new ATOM 1647 N TYR A 97 5.661 -10.083 -6.979 1.00 1.00 N ATOM 1648 CA TYR A 97 6.424 -11.227 -7.586 1.00 1.00 C ATOM 1649 C TYR A 97 6.394 -11.119 -9.116 1.00 1.00 C ATOM 1650 O TYR A 97 7.360 -11.443 -9.784 1.00 1.00 O ATOM 1651 CB TYR A 97 5.808 -12.576 -7.174 1.00 1.00 C ATOM 1652 CG TYR A 97 5.229 -12.502 -5.777 1.00 1.00 C ATOM 1653 CD1 TYR A 97 5.944 -11.879 -4.745 1.00 1.00 C ATOM 1654 CD2 TYR A 97 3.968 -13.049 -5.521 1.00 1.00 C ATOM 1655 CE1 TYR A 97 5.396 -11.806 -3.461 1.00 1.00 C ATOM 1656 CE2 TYR A 97 3.420 -12.978 -4.237 1.00 1.00 C ATOM 1657 CZ TYR A 97 4.134 -12.356 -3.205 1.00 1.00 C ATOM 1658 OH TYR A 97 3.593 -12.287 -1.938 1.00 1.00 O ATOM 0 H TYR A 97 4.810 -10.348 -6.483 1.00 1.00 H new ATOM 0 HA TYR A 97 7.451 -11.177 -7.225 1.00 1.00 H new ATOM 0 HB2 TYR A 97 5.027 -12.855 -7.881 1.00 1.00 H new ATOM 0 HB3 TYR A 97 6.569 -13.356 -7.216 1.00 1.00 H new ATOM 0 HD1 TYR A 97 6.918 -11.456 -4.942 1.00 1.00 H new ATOM 0 HD2 TYR A 97 3.416 -13.527 -6.317 1.00 1.00 H new ATOM 0 HE1 TYR A 97 5.946 -11.325 -2.666 1.00 1.00 H new ATOM 0 HE2 TYR A 97 2.447 -13.403 -4.041 1.00 1.00 H new ATOM 0 HH TYR A 97 3.283 -13.176 -1.666 1.00 1.00 H new ATOM 1668 N LEU A 98 5.285 -10.676 -9.667 1.00 1.00 N ATOM 1669 CA LEU A 98 5.161 -10.549 -11.150 1.00 1.00 C ATOM 1670 C LEU A 98 6.268 -9.631 -11.691 1.00 1.00 C ATOM 1671 O LEU A 98 7.043 -10.031 -12.543 1.00 1.00 O ATOM 1672 CB LEU A 98 3.776 -9.968 -11.481 1.00 1.00 C ATOM 1673 CG LEU A 98 3.539 -9.942 -12.998 1.00 1.00 C ATOM 1674 CD1 LEU A 98 4.284 -8.756 -13.610 1.00 1.00 C ATOM 1675 CD2 LEU A 98 4.038 -11.245 -13.633 1.00 1.00 C ATOM 0 H LEU A 98 4.455 -10.396 -9.144 1.00 1.00 H new ATOM 0 HA LEU A 98 5.268 -11.528 -11.618 1.00 1.00 H new ATOM 0 HB2 LEU A 98 3.002 -10.565 -10.999 1.00 1.00 H new ATOM 0 HB3 LEU A 98 3.696 -8.958 -11.079 1.00 1.00 H new ATOM 0 HG LEU A 98 2.471 -9.842 -13.189 1.00 1.00 H new ATOM 0 HD11 LEU A 98 4.116 -8.737 -14.687 1.00 1.00 H new ATOM 0 HD12 LEU A 98 3.917 -7.829 -13.169 1.00 1.00 H new ATOM 0 HD13 LEU A 98 5.351 -8.855 -13.411 1.00 1.00 H new ATOM 0 HD21 LEU A 98 3.865 -11.215 -14.709 1.00 1.00 H new ATOM 0 HD22 LEU A 98 5.105 -11.358 -13.440 1.00 1.00 H new ATOM 0 HD23 LEU A 98 3.500 -12.089 -13.202 1.00 1.00 H new ATOM 1687 N ASP A 99 6.360 -8.411 -11.201 1.00 1.00 N ATOM 1688 CA ASP A 99 7.431 -7.485 -11.691 1.00 1.00 C ATOM 1689 C ASP A 99 8.809 -8.021 -11.269 1.00 1.00 C ATOM 1690 O ASP A 99 9.782 -7.871 -11.984 1.00 1.00 O ATOM 1691 CB ASP A 99 7.213 -6.063 -11.136 1.00 1.00 C ATOM 1692 CG ASP A 99 7.421 -6.028 -9.617 1.00 1.00 C ATOM 1693 OD1 ASP A 99 8.561 -5.918 -9.192 1.00 1.00 O ATOM 1694 OD2 ASP A 99 6.434 -6.096 -8.904 1.00 1.00 O ATOM 0 H ASP A 99 5.743 -8.022 -10.488 1.00 1.00 H new ATOM 0 HA ASP A 99 7.386 -7.435 -12.779 1.00 1.00 H new ATOM 0 HB2 ASP A 99 7.904 -5.371 -11.617 1.00 1.00 H new ATOM 0 HB3 ASP A 99 6.205 -5.725 -11.376 1.00 1.00 H new ATOM 1699 N GLU A 100 8.889 -8.646 -10.111 1.00 1.00 N ATOM 1700 CA GLU A 100 10.190 -9.205 -9.624 1.00 1.00 C ATOM 1701 C GLU A 100 10.737 -10.220 -10.640 1.00 1.00 C ATOM 1702 O GLU A 100 11.933 -10.301 -10.859 1.00 1.00 O ATOM 1703 CB GLU A 100 9.962 -9.897 -8.273 1.00 1.00 C ATOM 1704 CG GLU A 100 11.266 -10.533 -7.778 1.00 1.00 C ATOM 1705 CD GLU A 100 11.224 -12.049 -8.012 1.00 1.00 C ATOM 1706 OE1 GLU A 100 10.470 -12.717 -7.321 1.00 1.00 O ATOM 1707 OE2 GLU A 100 11.947 -12.516 -8.878 1.00 1.00 O ATOM 0 H GLU A 100 8.100 -8.791 -9.481 1.00 1.00 H new ATOM 0 HA GLU A 100 10.913 -8.398 -9.508 1.00 1.00 H new ATOM 0 HB2 GLU A 100 9.601 -9.174 -7.542 1.00 1.00 H new ATOM 0 HB3 GLU A 100 9.191 -10.661 -8.373 1.00 1.00 H new ATOM 0 HG2 GLU A 100 12.116 -10.098 -8.303 1.00 1.00 H new ATOM 0 HG3 GLU A 100 11.405 -10.323 -6.717 1.00 1.00 H new