USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=5 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 61:sc= -3.81! 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= 0.359 K(o=0.36,f=-4.1!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 180:sc= -7.88! USER MOD Single : A 93 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.711) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot -15:sc= -2.1 USER MOD ----------------------------------------------------------------- ATOM 351 N GLU A 21 8.878 -1.676 -3.670 1.00 1.00 N ATOM 352 CA GLU A 21 7.515 -1.350 -3.148 1.00 1.00 C ATOM 353 C GLU A 21 7.237 -2.165 -1.878 1.00 1.00 C ATOM 354 O GLU A 21 7.479 -3.359 -1.833 1.00 1.00 O ATOM 355 CB GLU A 21 6.471 -1.695 -4.218 1.00 1.00 C ATOM 356 CG GLU A 21 5.152 -0.972 -3.915 1.00 1.00 C ATOM 357 CD GLU A 21 5.121 0.378 -4.644 1.00 1.00 C ATOM 358 OE1 GLU A 21 4.731 0.397 -5.800 1.00 1.00 O ATOM 359 OE2 GLU A 21 5.481 1.370 -4.030 1.00 1.00 O ATOM 0 HA GLU A 21 7.461 -0.288 -2.909 1.00 1.00 H new ATOM 0 HB2 GLU A 21 6.837 -1.404 -5.203 1.00 1.00 H new ATOM 0 HB3 GLU A 21 6.307 -2.772 -4.244 1.00 1.00 H new ATOM 0 HG2 GLU A 21 4.309 -1.586 -4.231 1.00 1.00 H new ATOM 0 HG3 GLU A 21 5.049 -0.818 -2.841 1.00 1.00 H new ATOM 366 N ILE A 22 6.721 -1.529 -0.852 1.00 1.00 N ATOM 367 CA ILE A 22 6.411 -2.258 0.422 1.00 1.00 C ATOM 368 C ILE A 22 4.897 -2.268 0.616 1.00 1.00 C ATOM 369 O ILE A 22 4.195 -1.475 0.009 1.00 1.00 O ATOM 370 CB ILE A 22 7.091 -1.570 1.612 1.00 1.00 C ATOM 371 CG1 ILE A 22 7.325 -0.071 1.317 1.00 1.00 C ATOM 372 CG2 ILE A 22 8.422 -2.264 1.879 1.00 1.00 C ATOM 373 CD1 ILE A 22 8.604 0.128 0.490 1.00 1.00 C ATOM 0 H ILE A 22 6.500 -0.533 -0.842 1.00 1.00 H new ATOM 0 HA ILE A 22 6.787 -3.279 0.363 1.00 1.00 H new ATOM 0 HB ILE A 22 6.448 -1.643 2.489 1.00 1.00 H new ATOM 0 HG12 ILE A 22 6.470 0.336 0.777 1.00 1.00 H new ATOM 0 HG13 ILE A 22 7.402 0.481 2.254 1.00 1.00 H new ATOM 0 HG21 ILE A 22 8.919 -1.786 2.723 1.00 1.00 H new ATOM 0 HG22 ILE A 22 8.245 -3.315 2.110 1.00 1.00 H new ATOM 0 HG23 ILE A 22 9.055 -2.188 0.995 1.00 1.00 H new ATOM 0 HD11 ILE A 22 8.749 1.190 0.294 1.00 1.00 H new ATOM 0 HD12 ILE A 22 9.459 -0.259 1.044 1.00 1.00 H new ATOM 0 HD13 ILE A 22 8.513 -0.406 -0.456 1.00 1.00 H new ATOM 385 N LEU A 23 4.364 -3.150 1.439 1.00 1.00 N ATOM 386 CA LEU A 23 2.857 -3.143 1.593 1.00 1.00 C ATOM 387 C LEU A 23 2.500 -2.967 3.057 1.00 1.00 C ATOM 388 O LEU A 23 3.088 -3.612 3.888 1.00 1.00 O ATOM 389 CB LEU A 23 2.280 -4.462 1.068 1.00 1.00 C ATOM 390 CG LEU A 23 1.080 -4.189 0.155 1.00 1.00 C ATOM 391 CD1 LEU A 23 -0.054 -3.563 0.969 1.00 1.00 C ATOM 392 CD2 LEU A 23 1.494 -3.234 -0.973 1.00 1.00 C ATOM 0 H LEU A 23 4.872 -3.844 1.988 1.00 1.00 H new ATOM 0 HA LEU A 23 2.435 -2.318 1.019 1.00 1.00 H new ATOM 0 HB2 LEU A 23 3.046 -5.010 0.519 1.00 1.00 H new ATOM 0 HB3 LEU A 23 1.975 -5.092 1.904 1.00 1.00 H new ATOM 0 HG LEU A 23 0.737 -5.129 -0.278 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -0.906 -3.370 0.317 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -0.352 -4.247 1.763 1.00 1.00 H new ATOM 0 HD13 LEU A 23 0.287 -2.625 1.407 1.00 1.00 H new ATOM 0 HD21 LEU A 23 0.638 -3.042 -1.620 1.00 1.00 H new ATOM 0 HD22 LEU A 23 1.843 -2.294 -0.545 1.00 1.00 H new ATOM 0 HD23 LEU A 23 2.296 -3.686 -1.557 1.00 1.00 H new ATOM 404 N GLY A 24 1.574 -2.111 3.416 1.00 1.00 N ATOM 405 CA GLY A 24 1.283 -1.961 4.876 1.00 1.00 C ATOM 406 C GLY A 24 -0.202 -1.778 5.168 1.00 1.00 C ATOM 407 O GLY A 24 -0.960 -1.279 4.361 1.00 1.00 O ATOM 0 H GLY A 24 1.024 -1.528 2.786 1.00 1.00 H new ATOM 0 HA2 GLY A 24 1.647 -2.841 5.406 1.00 1.00 H new ATOM 0 HA3 GLY A 24 1.833 -1.104 5.265 1.00 1.00 H new ATOM 411 N ILE A 25 -0.602 -2.133 6.365 1.00 1.00 N ATOM 412 CA ILE A 25 -2.016 -1.932 6.781 1.00 1.00 C ATOM 413 C ILE A 25 -2.034 -0.650 7.616 1.00 1.00 C ATOM 414 O ILE A 25 -1.117 -0.398 8.395 1.00 1.00 O ATOM 415 CB ILE A 25 -2.529 -3.132 7.601 1.00 1.00 C ATOM 416 CG1 ILE A 25 -1.936 -3.105 9.016 1.00 1.00 C ATOM 417 CG2 ILE A 25 -2.128 -4.436 6.907 1.00 1.00 C ATOM 418 CD1 ILE A 25 -2.931 -2.449 9.981 1.00 1.00 C ATOM 0 H ILE A 25 -0.002 -2.556 7.073 1.00 1.00 H new ATOM 0 HA ILE A 25 -2.673 -1.850 5.915 1.00 1.00 H new ATOM 0 HB ILE A 25 -3.615 -3.070 7.671 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -1.710 -4.119 9.345 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -0.996 -2.553 9.016 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -2.491 -5.284 7.488 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -2.565 -4.466 5.909 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -1.042 -4.488 6.830 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -2.507 -2.432 10.985 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -3.135 -1.429 9.655 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -3.860 -3.020 9.990 1.00 1.00 H new ATOM 430 N ILE A 26 -3.027 0.182 7.435 1.00 1.00 N ATOM 431 CA ILE A 26 -3.052 1.466 8.195 1.00 1.00 C ATOM 432 C ILE A 26 -3.977 1.396 9.398 1.00 1.00 C ATOM 433 O ILE A 26 -5.029 0.762 9.384 1.00 1.00 O ATOM 434 CB ILE A 26 -3.498 2.633 7.315 1.00 1.00 C ATOM 435 CG1 ILE A 26 -4.600 2.193 6.344 1.00 1.00 C ATOM 436 CG2 ILE A 26 -2.304 3.163 6.537 1.00 1.00 C ATOM 437 CD1 ILE A 26 -5.131 3.412 5.588 1.00 1.00 C ATOM 0 H ILE A 26 -3.812 0.031 6.802 1.00 1.00 H new ATOM 0 HA ILE A 26 -2.029 1.631 8.534 1.00 1.00 H new ATOM 0 HB ILE A 26 -3.900 3.420 7.953 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -4.208 1.458 5.641 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -5.410 1.710 6.891 1.00 1.00 H new ATOM 0 HG21 ILE A 26 -2.620 3.996 5.908 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -1.538 3.504 7.234 1.00 1.00 H new ATOM 0 HG23 ILE A 26 -1.897 2.370 5.910 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -5.914 3.099 4.898 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -5.539 4.131 6.298 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -4.318 3.876 5.029 1.00 1.00 H new ATOM 449 N GLU A 27 -3.568 2.091 10.427 1.00 1.00 N ATOM 450 CA GLU A 27 -4.350 2.167 11.691 1.00 1.00 C ATOM 451 C GLU A 27 -4.247 3.591 12.259 1.00 1.00 C ATOM 452 O GLU A 27 -3.178 4.189 12.281 1.00 1.00 O ATOM 453 CB GLU A 27 -3.786 1.162 12.702 1.00 1.00 C ATOM 454 CG GLU A 27 -4.935 0.364 13.331 1.00 1.00 C ATOM 455 CD GLU A 27 -4.472 -1.064 13.637 1.00 1.00 C ATOM 456 OE1 GLU A 27 -4.585 -1.905 12.758 1.00 1.00 O ATOM 457 OE2 GLU A 27 -4.015 -1.295 14.745 1.00 1.00 O ATOM 0 H GLU A 27 -2.698 2.624 10.441 1.00 1.00 H new ATOM 0 HA GLU A 27 -5.395 1.927 11.495 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -3.089 0.486 12.207 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -3.227 1.686 13.477 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -5.269 0.851 14.247 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -5.788 0.342 12.653 1.00 1.00 H new ATOM 545 N ARG A 34 -1.490 12.316 9.807 1.00 1.00 N ATOM 546 CA ARG A 34 -0.631 11.133 9.506 1.00 1.00 C ATOM 547 C ARG A 34 -1.140 9.902 10.257 1.00 1.00 C ATOM 548 O ARG A 34 -1.663 9.989 11.356 1.00 1.00 O ATOM 549 CB ARG A 34 0.818 11.420 9.910 1.00 1.00 C ATOM 550 CG ARG A 34 0.923 11.572 11.432 1.00 1.00 C ATOM 551 CD ARG A 34 1.990 12.613 11.771 1.00 1.00 C ATOM 552 NE ARG A 34 1.328 13.886 12.178 1.00 1.00 N ATOM 553 CZ ARG A 34 1.602 14.998 11.549 1.00 1.00 C ATOM 554 NH1 ARG A 34 0.956 15.308 10.454 1.00 1.00 N ATOM 555 NH2 ARG A 34 2.522 15.802 12.018 1.00 1.00 N ATOM 0 HA ARG A 34 -0.673 10.937 8.435 1.00 1.00 H new ATOM 0 HB2 ARG A 34 1.465 10.610 9.573 1.00 1.00 H new ATOM 0 HB3 ARG A 34 1.166 12.330 9.421 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -0.039 11.875 11.845 1.00 1.00 H new ATOM 0 HG3 ARG A 34 1.177 10.614 11.887 1.00 1.00 H new ATOM 0 HD2 ARG A 34 2.627 12.248 12.576 1.00 1.00 H new ATOM 0 HD3 ARG A 34 2.634 12.785 10.908 1.00 1.00 H new ATOM 0 HE ARG A 34 0.660 13.889 12.949 1.00 1.00 H new ATOM 0 HH11 ARG A 34 0.238 14.681 10.091 1.00 1.00 H new ATOM 0 HH12 ARG A 34 1.171 16.176 9.964 1.00 1.00 H new ATOM 0 HH21 ARG A 34 3.023 15.560 12.873 1.00 1.00 H new ATOM 0 HH22 ARG A 34 2.738 16.671 11.529 1.00 1.00 H new ATOM 569 N VAL A 35 -0.987 8.757 9.654 1.00 1.00 N ATOM 570 CA VAL A 35 -1.437 7.486 10.266 1.00 1.00 C ATOM 571 C VAL A 35 -0.211 6.597 10.492 1.00 1.00 C ATOM 572 O VAL A 35 0.823 6.795 9.874 1.00 1.00 O ATOM 573 CB VAL A 35 -2.410 6.828 9.283 1.00 1.00 C ATOM 574 CG1 VAL A 35 -2.210 5.317 9.241 1.00 1.00 C ATOM 575 CG2 VAL A 35 -3.838 7.150 9.706 1.00 1.00 C ATOM 0 H VAL A 35 -0.556 8.652 8.736 1.00 1.00 H new ATOM 0 HA VAL A 35 -1.932 7.646 11.224 1.00 1.00 H new ATOM 0 HB VAL A 35 -2.219 7.220 8.284 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -2.914 4.876 8.535 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -1.191 5.093 8.925 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -2.382 4.900 10.233 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -4.537 6.685 9.011 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -4.015 6.766 10.710 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -3.985 8.230 9.700 1.00 1.00 H new ATOM 585 N ARG A 36 -0.316 5.604 11.335 1.00 1.00 N ATOM 586 CA ARG A 36 0.858 4.693 11.544 1.00 1.00 C ATOM 587 C ARG A 36 0.608 3.415 10.757 1.00 1.00 C ATOM 588 O ARG A 36 -0.524 2.987 10.600 1.00 1.00 O ATOM 589 CB ARG A 36 1.040 4.375 13.023 1.00 1.00 C ATOM 590 CG ARG A 36 2.292 3.519 13.227 1.00 1.00 C ATOM 591 CD ARG A 36 1.883 2.100 13.631 1.00 1.00 C ATOM 592 NE ARG A 36 1.970 1.957 15.113 1.00 1.00 N ATOM 593 CZ ARG A 36 3.135 1.969 15.708 1.00 1.00 C ATOM 594 NH1 ARG A 36 3.937 0.942 15.593 1.00 1.00 N ATOM 595 NH2 ARG A 36 3.495 3.006 16.416 1.00 1.00 N ATOM 0 H ARG A 36 -1.148 5.383 11.882 1.00 1.00 H new ATOM 0 HA ARG A 36 1.770 5.180 11.198 1.00 1.00 H new ATOM 0 HB2 ARG A 36 1.125 5.300 13.594 1.00 1.00 H new ATOM 0 HB3 ARG A 36 0.164 3.847 13.400 1.00 1.00 H new ATOM 0 HG2 ARG A 36 2.880 3.492 12.309 1.00 1.00 H new ATOM 0 HG3 ARG A 36 2.925 3.959 13.998 1.00 1.00 H new ATOM 0 HD2 ARG A 36 0.867 1.894 13.295 1.00 1.00 H new ATOM 0 HD3 ARG A 36 2.533 1.371 13.146 1.00 1.00 H new ATOM 0 HE ARG A 36 1.119 1.850 15.664 1.00 1.00 H new ATOM 0 HH11 ARG A 36 3.654 0.133 15.040 1.00 1.00 H new ATOM 0 HH12 ARG A 36 4.846 0.950 16.056 1.00 1.00 H new ATOM 0 HH21 ARG A 36 2.868 3.806 16.505 1.00 1.00 H new ATOM 0 HH22 ARG A 36 4.403 3.016 16.880 1.00 1.00 H new ATOM 609 N VAL A 37 1.640 2.830 10.210 1.00 1.00 N ATOM 610 CA VAL A 37 1.447 1.633 9.384 1.00 1.00 C ATOM 611 C VAL A 37 2.461 0.540 9.720 1.00 1.00 C ATOM 612 O VAL A 37 3.642 0.783 9.937 1.00 1.00 O ATOM 613 CB VAL A 37 1.650 2.071 7.943 1.00 1.00 C ATOM 614 CG1 VAL A 37 2.285 0.961 7.123 1.00 1.00 C ATOM 615 CG2 VAL A 37 0.316 2.469 7.338 1.00 1.00 C ATOM 0 H VAL A 37 2.607 3.141 10.308 1.00 1.00 H new ATOM 0 HA VAL A 37 0.455 1.217 9.561 1.00 1.00 H new ATOM 0 HB VAL A 37 2.323 2.928 7.932 1.00 1.00 H new ATOM 0 HG11 VAL A 37 2.420 1.299 6.096 1.00 1.00 H new ATOM 0 HG12 VAL A 37 3.254 0.702 7.550 1.00 1.00 H new ATOM 0 HG13 VAL A 37 1.637 0.084 7.134 1.00 1.00 H new ATOM 0 HG21 VAL A 37 0.464 2.783 6.305 1.00 1.00 H new ATOM 0 HG22 VAL A 37 -0.364 1.618 7.365 1.00 1.00 H new ATOM 0 HG23 VAL A 37 -0.111 3.293 7.910 1.00 1.00 H new ATOM 625 N ARG A 38 2.000 -0.666 9.635 1.00 1.00 N ATOM 626 CA ARG A 38 2.895 -1.855 9.814 1.00 1.00 C ATOM 627 C ARG A 38 2.976 -2.477 8.429 1.00 1.00 C ATOM 628 O ARG A 38 2.004 -2.439 7.691 1.00 1.00 O ATOM 629 CB ARG A 38 2.321 -2.855 10.824 1.00 1.00 C ATOM 630 CG ARG A 38 0.813 -3.028 10.617 1.00 1.00 C ATOM 631 CD ARG A 38 0.340 -4.302 11.329 1.00 1.00 C ATOM 632 NE ARG A 38 -0.882 -4.004 12.133 1.00 1.00 N ATOM 633 CZ ARG A 38 -0.786 -3.359 13.267 1.00 1.00 C ATOM 634 NH1 ARG A 38 -0.244 -3.940 14.307 1.00 1.00 N ATOM 635 NH2 ARG A 38 -1.233 -2.134 13.361 1.00 1.00 N ATOM 0 H ARG A 38 1.024 -0.894 9.446 1.00 1.00 H new ATOM 0 HA ARG A 38 3.870 -1.570 10.209 1.00 1.00 H new ATOM 0 HB2 ARG A 38 2.821 -3.817 10.715 1.00 1.00 H new ATOM 0 HB3 ARG A 38 2.516 -2.508 11.839 1.00 1.00 H new ATOM 0 HG2 ARG A 38 0.280 -2.161 11.008 1.00 1.00 H new ATOM 0 HG3 ARG A 38 0.586 -3.088 9.553 1.00 1.00 H new ATOM 0 HD2 ARG A 38 0.125 -5.081 10.597 1.00 1.00 H new ATOM 0 HD3 ARG A 38 1.130 -4.683 11.977 1.00 1.00 H new ATOM 0 HE ARG A 38 -1.797 -4.305 11.796 1.00 1.00 H new ATOM 0 HH11 ARG A 38 0.104 -4.896 14.233 1.00 1.00 H new ATOM 0 HH12 ARG A 38 -0.169 -3.437 15.191 1.00 1.00 H new ATOM 0 HH21 ARG A 38 -1.656 -1.682 12.550 1.00 1.00 H new ATOM 0 HH22 ARG A 38 -1.159 -1.630 14.245 1.00 1.00 H new ATOM 649 N CYS A 39 4.110 -2.974 8.012 1.00 1.00 N ATOM 650 CA CYS A 39 4.158 -3.473 6.616 1.00 1.00 C ATOM 651 C CYS A 39 4.947 -4.770 6.432 1.00 1.00 C ATOM 652 O CYS A 39 5.878 -5.090 7.152 1.00 1.00 O ATOM 653 CB CYS A 39 4.768 -2.354 5.751 1.00 1.00 C ATOM 654 SG CYS A 39 6.357 -2.871 5.062 1.00 1.00 S ATOM 0 H CYS A 39 4.970 -3.053 8.554 1.00 1.00 H new ATOM 0 HA CYS A 39 3.140 -3.722 6.316 1.00 1.00 H new ATOM 0 HB2 CYS A 39 4.082 -2.097 4.943 1.00 1.00 H new ATOM 0 HB3 CYS A 39 4.902 -1.455 6.353 1.00 1.00 H new ATOM 0 HG CYS A 39 6.182 -3.910 4.300 1.00 1.00 H new ATOM 660 N LEU A 40 4.574 -5.468 5.388 1.00 1.00 N ATOM 661 CA LEU A 40 5.221 -6.706 4.975 1.00 1.00 C ATOM 662 C LEU A 40 6.289 -6.313 3.962 1.00 1.00 C ATOM 663 O LEU A 40 6.417 -5.132 3.582 1.00 1.00 O ATOM 664 CB LEU A 40 4.184 -7.607 4.330 1.00 1.00 C ATOM 665 CG LEU A 40 4.551 -9.078 4.495 1.00 1.00 C ATOM 666 CD1 LEU A 40 4.861 -9.394 5.962 1.00 1.00 C ATOM 667 CD2 LEU A 40 3.360 -9.910 4.041 1.00 1.00 C ATOM 0 H LEU A 40 3.799 -5.193 4.785 1.00 1.00 H new ATOM 0 HA LEU A 40 5.665 -7.241 5.814 1.00 1.00 H new ATOM 0 HB2 LEU A 40 3.208 -7.421 4.778 1.00 1.00 H new ATOM 0 HB3 LEU A 40 4.099 -7.367 3.270 1.00 1.00 H new ATOM 0 HG LEU A 40 5.436 -9.306 3.901 1.00 1.00 H new ATOM 0 HD11 LEU A 40 5.121 -10.448 6.060 1.00 1.00 H new ATOM 0 HD12 LEU A 40 5.698 -8.781 6.297 1.00 1.00 H new ATOM 0 HD13 LEU A 40 3.985 -9.178 6.574 1.00 1.00 H new ATOM 0 HD21 LEU A 40 3.594 -10.969 4.148 1.00 1.00 H new ATOM 0 HD22 LEU A 40 2.492 -9.667 4.653 1.00 1.00 H new ATOM 0 HD23 LEU A 40 3.140 -9.691 2.996 1.00 1.00 H new ATOM 679 N ASP A 41 7.094 -7.269 3.598 1.00 1.00 N ATOM 680 CA ASP A 41 8.285 -7.001 2.765 1.00 1.00 C ATOM 681 C ASP A 41 9.324 -6.424 3.769 1.00 1.00 C ATOM 682 O ASP A 41 10.293 -5.783 3.407 1.00 1.00 O ATOM 683 CB ASP A 41 7.967 -5.983 1.654 1.00 1.00 C ATOM 684 CG ASP A 41 8.814 -6.282 0.416 1.00 1.00 C ATOM 685 OD1 ASP A 41 8.379 -7.083 -0.397 1.00 1.00 O ATOM 686 OD2 ASP A 41 9.882 -5.704 0.297 1.00 1.00 O ATOM 0 H ASP A 41 6.968 -8.249 3.852 1.00 1.00 H new ATOM 0 HA ASP A 41 8.646 -7.893 2.254 1.00 1.00 H new ATOM 0 HB2 ASP A 41 6.908 -6.028 1.400 1.00 1.00 H new ATOM 0 HB3 ASP A 41 8.168 -4.972 2.007 1.00 1.00 H new ATOM 691 N GLY A 42 9.117 -6.760 5.054 1.00 1.00 N ATOM 692 CA GLY A 42 10.043 -6.388 6.178 1.00 1.00 C ATOM 693 C GLY A 42 10.147 -4.882 6.463 1.00 1.00 C ATOM 694 O GLY A 42 11.250 -4.369 6.534 1.00 1.00 O ATOM 0 H GLY A 42 8.306 -7.298 5.360 1.00 1.00 H new ATOM 0 HA2 GLY A 42 9.709 -6.892 7.085 1.00 1.00 H new ATOM 0 HA3 GLY A 42 11.038 -6.769 5.950 1.00 1.00 H new ATOM 698 N LYS A 43 9.058 -4.157 6.675 1.00 1.00 N ATOM 699 CA LYS A 43 9.232 -2.702 6.999 1.00 1.00 C ATOM 700 C LYS A 43 8.165 -2.184 7.974 1.00 1.00 C ATOM 701 O LYS A 43 7.046 -2.661 8.014 1.00 1.00 O ATOM 702 CB LYS A 43 9.212 -1.872 5.718 1.00 1.00 C ATOM 703 CG LYS A 43 10.653 -1.602 5.271 1.00 1.00 C ATOM 704 CD LYS A 43 10.986 -2.465 4.053 1.00 1.00 C ATOM 705 CE LYS A 43 12.498 -2.455 3.820 1.00 1.00 C ATOM 706 NZ LYS A 43 12.833 -3.346 2.673 1.00 1.00 N ATOM 0 H LYS A 43 8.097 -4.498 6.639 1.00 1.00 H new ATOM 0 HA LYS A 43 10.199 -2.598 7.492 1.00 1.00 H new ATOM 0 HB2 LYS A 43 8.669 -2.402 4.935 1.00 1.00 H new ATOM 0 HB3 LYS A 43 8.689 -0.931 5.888 1.00 1.00 H new ATOM 0 HG2 LYS A 43 10.776 -0.547 5.026 1.00 1.00 H new ATOM 0 HG3 LYS A 43 11.344 -1.823 6.085 1.00 1.00 H new ATOM 0 HD2 LYS A 43 10.638 -3.486 4.211 1.00 1.00 H new ATOM 0 HD3 LYS A 43 10.469 -2.085 3.172 1.00 1.00 H new ATOM 0 HE2 LYS A 43 12.838 -1.440 3.616 1.00 1.00 H new ATOM 0 HE3 LYS A 43 13.017 -2.791 4.718 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 13.861 -3.338 2.516 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 12.523 -4.316 2.885 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 12.349 -3.007 1.817 1.00 1.00 H new ATOM 720 N THR A 44 8.514 -1.162 8.720 1.00 1.00 N ATOM 721 CA THR A 44 7.551 -0.515 9.672 1.00 1.00 C ATOM 722 C THR A 44 7.695 0.998 9.476 1.00 1.00 C ATOM 723 O THR A 44 8.768 1.567 9.663 1.00 1.00 O ATOM 724 CB THR A 44 7.863 -0.894 11.129 1.00 1.00 C ATOM 725 OG1 THR A 44 8.510 -2.161 11.180 1.00 1.00 O ATOM 726 CG2 THR A 44 6.559 -0.955 11.925 1.00 1.00 C ATOM 0 H THR A 44 9.443 -0.741 8.710 1.00 1.00 H new ATOM 0 HA THR A 44 6.534 -0.851 9.471 1.00 1.00 H new ATOM 0 HB THR A 44 8.525 -0.142 11.559 1.00 1.00 H new ATOM 0 HG1 THR A 44 8.705 -2.391 12.112 1.00 1.00 H new ATOM 0 HG21 THR A 44 6.776 -1.224 12.959 1.00 1.00 H new ATOM 0 HG22 THR A 44 6.070 0.019 11.898 1.00 1.00 H new ATOM 0 HG23 THR A 44 5.900 -1.704 11.486 1.00 1.00 H new ATOM 734 N ARG A 45 6.641 1.647 9.044 1.00 1.00 N ATOM 735 CA ARG A 45 6.742 3.108 8.768 1.00 1.00 C ATOM 736 C ARG A 45 5.437 3.834 9.066 1.00 1.00 C ATOM 737 O ARG A 45 4.379 3.238 9.148 1.00 1.00 O ATOM 738 CB ARG A 45 7.115 3.325 7.292 1.00 1.00 C ATOM 739 CG ARG A 45 6.432 2.282 6.400 1.00 1.00 C ATOM 740 CD ARG A 45 7.496 1.393 5.751 1.00 1.00 C ATOM 741 NE ARG A 45 8.336 2.207 4.820 1.00 1.00 N ATOM 742 CZ ARG A 45 9.342 1.655 4.190 1.00 1.00 C ATOM 743 NH1 ARG A 45 9.213 0.464 3.666 1.00 1.00 N ATOM 744 NH2 ARG A 45 10.480 2.291 4.083 1.00 1.00 N ATOM 0 H ARG A 45 5.726 1.231 8.873 1.00 1.00 H new ATOM 0 HA ARG A 45 7.512 3.517 9.422 1.00 1.00 H new ATOM 0 HB2 ARG A 45 6.819 4.327 6.981 1.00 1.00 H new ATOM 0 HB3 ARG A 45 8.196 3.261 7.172 1.00 1.00 H new ATOM 0 HG2 ARG A 45 5.746 1.675 6.991 1.00 1.00 H new ATOM 0 HG3 ARG A 45 5.838 2.777 5.632 1.00 1.00 H new ATOM 0 HD2 ARG A 45 8.123 0.940 6.519 1.00 1.00 H new ATOM 0 HD3 ARG A 45 7.019 0.578 5.207 1.00 1.00 H new ATOM 0 HE ARG A 45 8.125 3.194 4.675 1.00 1.00 H new ATOM 0 HH11 ARG A 45 8.328 -0.036 3.748 1.00 1.00 H new ATOM 0 HH12 ARG A 45 9.998 0.035 3.175 1.00 1.00 H new ATOM 0 HH21 ARG A 45 10.585 3.220 4.491 1.00 1.00 H new ATOM 0 HH22 ARG A 45 11.262 1.858 3.591 1.00 1.00 H new ATOM 758 N LEU A 46 5.506 5.136 9.159 1.00 1.00 N ATOM 759 CA LEU A 46 4.265 5.942 9.375 1.00 1.00 C ATOM 760 C LEU A 46 3.822 6.373 7.972 1.00 1.00 C ATOM 761 O LEU A 46 4.621 6.876 7.198 1.00 1.00 O ATOM 762 CB LEU A 46 4.564 7.189 10.224 1.00 1.00 C ATOM 763 CG LEU A 46 5.578 6.862 11.328 1.00 1.00 C ATOM 764 CD1 LEU A 46 6.016 8.159 12.015 1.00 1.00 C ATOM 765 CD2 LEU A 46 4.933 5.932 12.361 1.00 1.00 C ATOM 0 H LEU A 46 6.368 5.678 9.095 1.00 1.00 H new ATOM 0 HA LEU A 46 3.502 5.368 9.901 1.00 1.00 H new ATOM 0 HB2 LEU A 46 4.955 7.983 9.588 1.00 1.00 H new ATOM 0 HB3 LEU A 46 3.642 7.562 10.669 1.00 1.00 H new ATOM 0 HG LEU A 46 6.445 6.369 10.889 1.00 1.00 H new ATOM 0 HD11 LEU A 46 6.737 7.930 12.800 1.00 1.00 H new ATOM 0 HD12 LEU A 46 6.477 8.821 11.282 1.00 1.00 H new ATOM 0 HD13 LEU A 46 5.147 8.650 12.453 1.00 1.00 H new ATOM 0 HD21 LEU A 46 5.655 5.701 13.144 1.00 1.00 H new ATOM 0 HD22 LEU A 46 4.065 6.423 12.801 1.00 1.00 H new ATOM 0 HD23 LEU A 46 4.619 5.009 11.874 1.00 1.00 H new ATOM 777 N GLY A 47 2.591 6.131 7.603 1.00 1.00 N ATOM 778 CA GLY A 47 2.144 6.466 6.217 1.00 1.00 C ATOM 779 C GLY A 47 1.445 7.822 6.157 1.00 1.00 C ATOM 780 O GLY A 47 0.670 8.182 7.026 1.00 1.00 O ATOM 0 H GLY A 47 1.876 5.716 8.201 1.00 1.00 H new ATOM 0 HA2 GLY A 47 3.005 6.472 5.549 1.00 1.00 H new ATOM 0 HA3 GLY A 47 1.466 5.692 5.857 1.00 1.00 H new ATOM 784 N ARG A 48 1.720 8.565 5.107 1.00 1.00 N ATOM 785 CA ARG A 48 1.091 9.904 4.930 1.00 1.00 C ATOM 786 C ARG A 48 -0.077 9.800 3.946 1.00 1.00 C ATOM 787 O ARG A 48 -0.002 9.117 2.940 1.00 1.00 O ATOM 788 CB ARG A 48 2.118 10.915 4.409 1.00 1.00 C ATOM 789 CG ARG A 48 2.803 10.379 3.148 1.00 1.00 C ATOM 790 CD ARG A 48 3.325 11.549 2.311 1.00 1.00 C ATOM 791 NE ARG A 48 2.225 12.074 1.452 1.00 1.00 N ATOM 792 CZ ARG A 48 1.624 13.191 1.767 1.00 1.00 C ATOM 793 NH1 ARG A 48 2.191 14.339 1.497 1.00 1.00 N ATOM 794 NH2 ARG A 48 0.456 13.160 2.354 1.00 1.00 N ATOM 0 H ARG A 48 2.361 8.292 4.362 1.00 1.00 H new ATOM 0 HA ARG A 48 0.723 10.247 5.897 1.00 1.00 H new ATOM 0 HB2 ARG A 48 1.626 11.862 4.188 1.00 1.00 H new ATOM 0 HB3 ARG A 48 2.864 11.115 5.179 1.00 1.00 H new ATOM 0 HG2 ARG A 48 3.626 9.719 3.422 1.00 1.00 H new ATOM 0 HG3 ARG A 48 2.099 9.786 2.564 1.00 1.00 H new ATOM 0 HD2 ARG A 48 3.700 12.338 2.963 1.00 1.00 H new ATOM 0 HD3 ARG A 48 4.161 11.223 1.692 1.00 1.00 H new ATOM 0 HE ARG A 48 1.941 11.561 0.617 1.00 1.00 H new ATOM 0 HH11 ARG A 48 3.103 14.363 1.040 1.00 1.00 H new ATOM 0 HH12 ARG A 48 1.721 15.210 1.743 1.00 1.00 H new ATOM 0 HH21 ARG A 48 0.015 12.265 2.565 1.00 1.00 H new ATOM 0 HH22 ARG A 48 -0.014 14.031 2.600 1.00 1.00 H new ATOM 1056 N ASP A 63 -7.569 -0.484 7.517 1.00 1.00 N ATOM 1057 CA ASP A 63 -7.738 -0.332 6.031 1.00 1.00 C ATOM 1058 C ASP A 63 -6.501 -0.893 5.321 1.00 1.00 C ATOM 1059 O ASP A 63 -5.455 -1.051 5.931 1.00 1.00 O ATOM 1060 CB ASP A 63 -7.907 1.153 5.674 1.00 1.00 C ATOM 1061 CG ASP A 63 -8.833 1.842 6.686 1.00 1.00 C ATOM 1062 OD1 ASP A 63 -10.036 1.668 6.578 1.00 1.00 O ATOM 1063 OD2 ASP A 63 -8.322 2.533 7.553 1.00 1.00 O ATOM 0 HA ASP A 63 -8.625 -0.879 5.710 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -6.935 1.645 5.667 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -8.320 1.248 4.670 1.00 1.00 H new ATOM 1068 N VAL A 64 -6.586 -1.185 4.034 1.00 1.00 N ATOM 1069 CA VAL A 64 -5.376 -1.720 3.329 1.00 1.00 C ATOM 1070 C VAL A 64 -4.687 -0.560 2.621 1.00 1.00 C ATOM 1071 O VAL A 64 -5.329 0.319 2.070 1.00 1.00 O ATOM 1072 CB VAL A 64 -5.749 -2.818 2.323 1.00 1.00 C ATOM 1073 CG1 VAL A 64 -6.802 -2.313 1.338 1.00 1.00 C ATOM 1074 CG2 VAL A 64 -4.500 -3.246 1.547 1.00 1.00 C ATOM 0 H VAL A 64 -7.421 -1.078 3.459 1.00 1.00 H new ATOM 0 HA VAL A 64 -4.705 -2.173 4.059 1.00 1.00 H new ATOM 0 HB VAL A 64 -6.158 -3.666 2.872 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -7.052 -3.107 0.634 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -7.698 -2.016 1.883 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -6.408 -1.455 0.793 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -4.765 -4.026 0.833 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -4.092 -2.388 1.013 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -3.753 -3.629 2.242 1.00 1.00 H new ATOM 1084 N VAL A 65 -3.382 -0.527 2.677 1.00 1.00 N ATOM 1085 CA VAL A 65 -2.644 0.603 2.057 1.00 1.00 C ATOM 1086 C VAL A 65 -1.350 0.122 1.386 1.00 1.00 C ATOM 1087 O VAL A 65 -0.638 -0.714 1.909 1.00 1.00 O ATOM 1088 CB VAL A 65 -2.329 1.626 3.173 1.00 1.00 C ATOM 1089 CG1 VAL A 65 -0.823 1.713 3.444 1.00 1.00 C ATOM 1090 CG2 VAL A 65 -2.840 3.006 2.767 1.00 1.00 C ATOM 0 H VAL A 65 -2.799 -1.234 3.125 1.00 1.00 H new ATOM 0 HA VAL A 65 -3.254 1.061 1.278 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.827 1.290 4.083 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -0.637 2.441 4.234 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -0.452 0.737 3.756 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -0.307 2.023 2.535 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -2.616 3.724 3.556 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -2.352 3.318 1.844 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -3.918 2.963 2.611 1.00 1.00 H new ATOM 1100 N ILE A 66 -1.012 0.705 0.265 1.00 1.00 N ATOM 1101 CA ILE A 66 0.281 0.353 -0.403 1.00 1.00 C ATOM 1102 C ILE A 66 1.241 1.472 0.008 1.00 1.00 C ATOM 1103 O ILE A 66 0.829 2.623 0.109 1.00 1.00 O ATOM 1104 CB ILE A 66 0.121 0.260 -1.942 1.00 1.00 C ATOM 1105 CG1 ILE A 66 0.556 1.564 -2.630 1.00 1.00 C ATOM 1106 CG2 ILE A 66 -1.340 -0.031 -2.304 1.00 1.00 C ATOM 1107 CD1 ILE A 66 2.058 1.514 -2.930 1.00 1.00 C ATOM 0 H ILE A 66 -1.572 1.408 -0.217 1.00 1.00 H new ATOM 0 HA ILE A 66 0.649 -0.628 -0.102 1.00 1.00 H new ATOM 0 HB ILE A 66 0.761 -0.551 -2.291 1.00 1.00 H new ATOM 0 HG12 ILE A 66 -0.005 1.703 -3.554 1.00 1.00 H new ATOM 0 HG13 ILE A 66 0.332 2.417 -1.989 1.00 1.00 H new ATOM 0 HG21 ILE A 66 -1.441 -0.094 -3.387 1.00 1.00 H new ATOM 0 HG22 ILE A 66 -1.645 -0.977 -1.855 1.00 1.00 H new ATOM 0 HG23 ILE A 66 -1.975 0.771 -1.927 1.00 1.00 H new ATOM 0 HD11 ILE A 66 2.363 2.440 -3.418 1.00 1.00 H new ATOM 0 HD12 ILE A 66 2.611 1.395 -1.998 1.00 1.00 H new ATOM 0 HD13 ILE A 66 2.270 0.671 -3.588 1.00 1.00 H new ATOM 1119 N VAL A 67 2.478 1.170 0.325 1.00 1.00 N ATOM 1120 CA VAL A 67 3.364 2.268 0.811 1.00 1.00 C ATOM 1121 C VAL A 67 4.685 2.386 0.032 1.00 1.00 C ATOM 1122 O VAL A 67 5.200 1.441 -0.555 1.00 1.00 O ATOM 1123 CB VAL A 67 3.664 2.062 2.314 1.00 1.00 C ATOM 1124 CG1 VAL A 67 2.511 1.315 2.995 1.00 1.00 C ATOM 1125 CG2 VAL A 67 4.948 1.249 2.495 1.00 1.00 C ATOM 0 H VAL A 67 2.899 0.243 0.271 1.00 1.00 H new ATOM 0 HA VAL A 67 2.824 3.200 0.647 1.00 1.00 H new ATOM 0 HB VAL A 67 3.783 3.045 2.769 1.00 1.00 H new ATOM 0 HG11 VAL A 67 2.740 1.179 4.052 1.00 1.00 H new ATOM 0 HG12 VAL A 67 1.593 1.893 2.894 1.00 1.00 H new ATOM 0 HG13 VAL A 67 2.380 0.341 2.524 1.00 1.00 H new ATOM 0 HG21 VAL A 67 5.145 1.113 3.558 1.00 1.00 H new ATOM 0 HG22 VAL A 67 4.832 0.275 2.020 1.00 1.00 H new ATOM 0 HG23 VAL A 67 5.782 1.780 2.036 1.00 1.00 H new ATOM 1135 N LYS A 68 5.233 3.579 0.094 1.00 1.00 N ATOM 1136 CA LYS A 68 6.536 3.915 -0.543 1.00 1.00 C ATOM 1137 C LYS A 68 7.562 4.052 0.593 1.00 1.00 C ATOM 1138 O LYS A 68 7.168 4.366 1.703 1.00 1.00 O ATOM 1139 CB LYS A 68 6.385 5.229 -1.338 1.00 1.00 C ATOM 1140 CG LYS A 68 7.496 6.226 -0.982 1.00 1.00 C ATOM 1141 CD LYS A 68 7.540 7.333 -2.036 1.00 1.00 C ATOM 1142 CE LYS A 68 7.481 8.700 -1.351 1.00 1.00 C ATOM 1143 NZ LYS A 68 6.817 9.682 -2.253 1.00 1.00 N ATOM 0 H LYS A 68 4.804 4.364 0.585 1.00 1.00 H new ATOM 0 HA LYS A 68 6.864 3.147 -1.243 1.00 1.00 H new ATOM 0 HB2 LYS A 68 6.413 5.016 -2.407 1.00 1.00 H new ATOM 0 HB3 LYS A 68 5.413 5.674 -1.128 1.00 1.00 H new ATOM 0 HG2 LYS A 68 7.314 6.654 0.004 1.00 1.00 H new ATOM 0 HG3 LYS A 68 8.458 5.715 -0.935 1.00 1.00 H new ATOM 0 HD2 LYS A 68 8.453 7.250 -2.626 1.00 1.00 H new ATOM 0 HD3 LYS A 68 6.703 7.225 -2.726 1.00 1.00 H new ATOM 0 HE2 LYS A 68 6.932 8.624 -0.412 1.00 1.00 H new ATOM 0 HE3 LYS A 68 8.487 9.039 -1.106 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 6.778 10.611 -1.786 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 7.358 9.762 -3.138 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 5.851 9.360 -2.466 1.00 1.00 H new ATOM 1157 N PRO A 69 8.823 3.807 0.302 1.00 1.00 N ATOM 1158 CA PRO A 69 9.896 3.859 1.319 1.00 1.00 C ATOM 1159 C PRO A 69 10.517 5.255 1.467 1.00 1.00 C ATOM 1160 O PRO A 69 10.724 5.981 0.509 1.00 1.00 O ATOM 1161 CB PRO A 69 10.950 2.917 0.746 1.00 1.00 C ATOM 1162 CG PRO A 69 10.706 2.858 -0.787 1.00 1.00 C ATOM 1163 CD PRO A 69 9.291 3.416 -1.041 1.00 1.00 C ATOM 0 HA PRO A 69 9.518 3.597 2.307 1.00 1.00 H new ATOM 0 HB2 PRO A 69 11.954 3.280 0.965 1.00 1.00 H new ATOM 0 HB3 PRO A 69 10.866 1.925 1.190 1.00 1.00 H new ATOM 0 HG2 PRO A 69 11.454 3.446 -1.319 1.00 1.00 H new ATOM 0 HG3 PRO A 69 10.788 1.834 -1.151 1.00 1.00 H new ATOM 0 HD2 PRO A 69 9.312 4.267 -1.721 1.00 1.00 H new ATOM 0 HD3 PRO A 69 8.639 2.666 -1.490 1.00 1.00 H new ATOM 1171 N TRP A 70 10.787 5.616 2.702 1.00 1.00 N ATOM 1172 CA TRP A 70 11.373 6.946 3.044 1.00 1.00 C ATOM 1173 C TRP A 70 12.658 6.705 3.825 1.00 1.00 C ATOM 1174 O TRP A 70 12.589 6.129 4.916 1.00 1.00 O ATOM 1175 CB TRP A 70 10.489 7.721 4.006 1.00 1.00 C ATOM 1176 CG TRP A 70 9.373 8.241 3.287 1.00 1.00 C ATOM 1177 CD1 TRP A 70 8.676 7.529 2.422 1.00 1.00 C ATOM 1178 CD2 TRP A 70 8.786 9.553 3.353 1.00 1.00 C ATOM 1179 NE1 TRP A 70 7.705 8.295 1.935 1.00 1.00 N ATOM 1180 CE2 TRP A 70 7.711 9.563 2.475 1.00 1.00 C ATOM 1181 CE3 TRP A 70 9.076 10.720 4.082 1.00 1.00 C ATOM 1182 CZ2 TRP A 70 6.932 10.680 2.304 1.00 1.00 C ATOM 1183 CZ3 TRP A 70 8.289 11.869 3.914 1.00 1.00 C ATOM 1184 CH2 TRP A 70 7.212 11.848 3.024 1.00 1.00 C ATOM 0 H TRP A 70 10.617 5.019 3.511 1.00 1.00 H new ATOM 0 HA TRP A 70 11.506 7.494 2.111 1.00 1.00 H new ATOM 0 HB2 TRP A 70 10.149 7.072 4.813 1.00 1.00 H new ATOM 0 HB3 TRP A 70 11.053 8.532 4.466 1.00 1.00 H new ATOM 0 HD1 TRP A 70 8.863 6.499 2.155 1.00 1.00 H new ATOM 0 HE1 TRP A 70 7.030 7.979 1.239 1.00 1.00 H new ATOM 0 HE3 TRP A 70 9.906 10.732 4.773 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 6.102 10.658 1.613 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 8.515 12.767 4.471 1.00 1.00 H new ATOM 0 HH2 TRP A 70 6.599 12.727 2.892 1.00 1.00 H new ATOM 1262 N GLN A 76 11.091 3.895 9.501 1.00 1.00 N ATOM 1263 CA GLN A 76 10.869 4.180 8.052 1.00 1.00 C ATOM 1264 C GLN A 76 9.659 5.099 7.854 1.00 1.00 C ATOM 1265 O GLN A 76 8.700 5.064 8.610 1.00 1.00 O ATOM 1266 CB GLN A 76 10.631 2.864 7.307 1.00 1.00 C ATOM 1267 CG GLN A 76 11.928 2.052 7.265 1.00 1.00 C ATOM 1268 CD GLN A 76 11.833 0.882 8.247 1.00 1.00 C ATOM 1269 OE1 GLN A 76 11.240 -0.134 7.944 1.00 1.00 O ATOM 1270 NE2 GLN A 76 12.396 0.982 9.421 1.00 1.00 N ATOM 0 HA GLN A 76 11.754 4.681 7.658 1.00 1.00 H new ATOM 0 HB2 GLN A 76 9.848 2.291 7.803 1.00 1.00 H new ATOM 0 HB3 GLN A 76 10.284 3.066 6.294 1.00 1.00 H new ATOM 0 HG2 GLN A 76 12.103 1.680 6.256 1.00 1.00 H new ATOM 0 HG3 GLN A 76 12.775 2.688 7.522 1.00 1.00 H new ATOM 0 HE21 GLN A 76 12.894 1.835 9.677 1.00 1.00 H new ATOM 0 HE22 GLN A 76 12.338 0.208 10.082 1.00 1.00 H new ATOM 1279 N LYS A 77 9.681 5.896 6.812 1.00 1.00 N ATOM 1280 CA LYS A 77 8.495 6.780 6.524 1.00 1.00 C ATOM 1281 C LYS A 77 7.870 6.270 5.238 1.00 1.00 C ATOM 1282 O LYS A 77 8.550 5.668 4.436 1.00 1.00 O ATOM 1283 CB LYS A 77 8.935 8.240 6.381 1.00 1.00 C ATOM 1284 CG LYS A 77 8.625 8.992 7.676 1.00 1.00 C ATOM 1285 CD LYS A 77 9.552 10.204 7.801 1.00 1.00 C ATOM 1286 CE LYS A 77 10.032 10.332 9.248 1.00 1.00 C ATOM 1287 NZ LYS A 77 9.014 11.071 10.050 1.00 1.00 N ATOM 0 H LYS A 77 10.456 5.976 6.153 1.00 1.00 H new ATOM 0 HA LYS A 77 7.773 6.747 7.340 1.00 1.00 H new ATOM 0 HB2 LYS A 77 10.002 8.290 6.165 1.00 1.00 H new ATOM 0 HB3 LYS A 77 8.417 8.707 5.543 1.00 1.00 H new ATOM 0 HG2 LYS A 77 7.584 9.316 7.680 1.00 1.00 H new ATOM 0 HG3 LYS A 77 8.757 8.331 8.533 1.00 1.00 H new ATOM 0 HD2 LYS A 77 10.405 10.093 7.132 1.00 1.00 H new ATOM 0 HD3 LYS A 77 9.026 11.110 7.500 1.00 1.00 H new ATOM 0 HE2 LYS A 77 10.198 9.343 9.675 1.00 1.00 H new ATOM 0 HE3 LYS A 77 10.986 10.858 9.280 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 9.342 11.157 11.033 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 8.876 12.020 9.647 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 8.113 10.552 10.030 1.00 1.00 H new ATOM 1301 N CYS A 78 6.602 6.436 5.016 1.00 1.00 N ATOM 1302 CA CYS A 78 6.041 5.891 3.747 1.00 1.00 C ATOM 1303 C CYS A 78 4.924 6.760 3.190 1.00 1.00 C ATOM 1304 O CYS A 78 4.200 7.416 3.919 1.00 1.00 O ATOM 1305 CB CYS A 78 5.527 4.466 3.974 1.00 1.00 C ATOM 1306 SG CYS A 78 4.108 4.484 5.098 1.00 1.00 S ATOM 0 H CYS A 78 5.943 6.910 5.634 1.00 1.00 H new ATOM 0 HA CYS A 78 6.846 5.883 3.012 1.00 1.00 H new ATOM 0 HB2 CYS A 78 5.240 4.019 3.022 1.00 1.00 H new ATOM 0 HB3 CYS A 78 6.322 3.847 4.390 1.00 1.00 H new ATOM 0 HG CYS A 78 3.682 3.269 5.279 1.00 1.00 H new ATOM 1312 N ASP A 79 4.741 6.701 1.897 1.00 1.00 N ATOM 1313 CA ASP A 79 3.608 7.457 1.265 1.00 1.00 C ATOM 1314 C ASP A 79 2.513 6.422 1.073 1.00 1.00 C ATOM 1315 O ASP A 79 2.772 5.368 0.511 1.00 1.00 O ATOM 1316 CB ASP A 79 4.033 8.030 -0.091 1.00 1.00 C ATOM 1317 CG ASP A 79 3.268 9.330 -0.369 1.00 1.00 C ATOM 1318 OD1 ASP A 79 2.046 9.297 -0.357 1.00 1.00 O ATOM 1319 OD2 ASP A 79 3.916 10.338 -0.593 1.00 1.00 O ATOM 0 H ASP A 79 5.321 6.166 1.250 1.00 1.00 H new ATOM 0 HA ASP A 79 3.285 8.299 1.878 1.00 1.00 H new ATOM 0 HB2 ASP A 79 5.106 8.221 -0.095 1.00 1.00 H new ATOM 0 HB3 ASP A 79 3.835 7.305 -0.881 1.00 1.00 H new ATOM 1324 N ILE A 80 1.331 6.632 1.583 1.00 1.00 N ATOM 1325 CA ILE A 80 0.323 5.539 1.458 1.00 1.00 C ATOM 1326 C ILE A 80 -0.957 5.935 0.748 1.00 1.00 C ATOM 1327 O ILE A 80 -1.442 7.050 0.827 1.00 1.00 O ATOM 1328 CB ILE A 80 -0.037 5.009 2.848 1.00 1.00 C ATOM 1329 CG1 ILE A 80 -0.178 6.165 3.842 1.00 1.00 C ATOM 1330 CG2 ILE A 80 1.065 4.067 3.310 1.00 1.00 C ATOM 1331 CD1 ILE A 80 -1.047 5.723 5.023 1.00 1.00 C ATOM 0 H ILE A 80 1.025 7.478 2.063 1.00 1.00 H new ATOM 0 HA ILE A 80 0.799 4.776 0.841 1.00 1.00 H new ATOM 0 HB ILE A 80 -0.989 4.480 2.799 1.00 1.00 H new ATOM 0 HG12 ILE A 80 0.805 6.475 4.197 1.00 1.00 H new ATOM 0 HG13 ILE A 80 -0.626 7.028 3.350 1.00 1.00 H new ATOM 0 HG21 ILE A 80 0.822 3.681 4.300 1.00 1.00 H new ATOM 0 HG22 ILE A 80 1.152 3.237 2.608 1.00 1.00 H new ATOM 0 HG23 ILE A 80 2.011 4.607 3.353 1.00 1.00 H new ATOM 0 HD11 ILE A 80 -1.147 6.547 5.730 1.00 1.00 H new ATOM 0 HD12 ILE A 80 -2.034 5.434 4.661 1.00 1.00 H new ATOM 0 HD13 ILE A 80 -0.580 4.873 5.520 1.00 1.00 H new ATOM 1343 N ILE A 81 -1.526 4.950 0.107 1.00 1.00 N ATOM 1344 CA ILE A 81 -2.838 5.112 -0.593 1.00 1.00 C ATOM 1345 C ILE A 81 -3.779 4.079 0.029 1.00 1.00 C ATOM 1346 O ILE A 81 -3.494 2.889 0.019 1.00 1.00 O ATOM 1347 CB ILE A 81 -2.698 4.865 -2.103 1.00 1.00 C ATOM 1348 CG1 ILE A 81 -1.772 3.673 -2.364 1.00 1.00 C ATOM 1349 CG2 ILE A 81 -2.118 6.113 -2.771 1.00 1.00 C ATOM 1350 CD1 ILE A 81 -2.147 3.016 -3.695 1.00 1.00 C ATOM 0 H ILE A 81 -1.127 4.014 0.037 1.00 1.00 H new ATOM 0 HA ILE A 81 -3.217 6.127 -0.477 1.00 1.00 H new ATOM 0 HB ILE A 81 -3.682 4.646 -2.517 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -0.734 4.004 -2.390 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -1.856 2.950 -1.553 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -2.018 5.939 -3.842 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -2.784 6.959 -2.601 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -1.138 6.331 -2.346 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -1.488 2.168 -3.881 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -3.180 2.670 -3.652 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -2.041 3.741 -4.502 1.00 1.00 H new ATOM 1362 N TRP A 82 -4.862 4.523 0.625 1.00 1.00 N ATOM 1363 CA TRP A 82 -5.781 3.570 1.317 1.00 1.00 C ATOM 1364 C TRP A 82 -6.985 3.192 0.447 1.00 1.00 C ATOM 1365 O TRP A 82 -7.348 3.883 -0.489 1.00 1.00 O ATOM 1366 CB TRP A 82 -6.244 4.203 2.645 1.00 1.00 C ATOM 1367 CG TRP A 82 -7.699 4.557 2.600 1.00 1.00 C ATOM 1368 CD1 TRP A 82 -8.679 3.860 3.218 1.00 1.00 C ATOM 1369 CD2 TRP A 82 -8.352 5.664 1.915 1.00 1.00 C ATOM 1370 NE1 TRP A 82 -9.892 4.469 2.957 1.00 1.00 N ATOM 1371 CE2 TRP A 82 -9.742 5.585 2.157 1.00 1.00 C ATOM 1372 CE3 TRP A 82 -7.878 6.719 1.113 1.00 1.00 C ATOM 1373 CZ2 TRP A 82 -10.632 6.517 1.627 1.00 1.00 C ATOM 1374 CZ3 TRP A 82 -8.771 7.660 0.577 1.00 1.00 C ATOM 1375 CH2 TRP A 82 -10.146 7.559 0.833 1.00 1.00 C ATOM 0 H TRP A 82 -5.146 5.502 0.661 1.00 1.00 H new ATOM 0 HA TRP A 82 -5.238 2.645 1.513 1.00 1.00 H new ATOM 0 HB2 TRP A 82 -6.062 3.508 3.465 1.00 1.00 H new ATOM 0 HB3 TRP A 82 -5.656 5.098 2.849 1.00 1.00 H new ATOM 0 HD1 TRP A 82 -8.537 2.973 3.817 1.00 1.00 H new ATOM 0 HE1 TRP A 82 -10.788 4.135 3.312 1.00 1.00 H new ATOM 0 HE3 TRP A 82 -6.821 6.805 0.909 1.00 1.00 H new ATOM 0 HZ2 TRP A 82 -11.690 6.435 1.828 1.00 1.00 H new ATOM 0 HZ3 TRP A 82 -8.397 8.467 -0.036 1.00 1.00 H new ATOM 0 HH2 TRP A 82 -10.828 8.286 0.417 1.00 1.00 H new ATOM 1386 N ARG A 83 -7.598 2.084 0.789 1.00 1.00 N ATOM 1387 CA ARG A 83 -8.792 1.587 0.048 1.00 1.00 C ATOM 1388 C ARG A 83 -9.261 0.267 0.679 1.00 1.00 C ATOM 1389 O ARG A 83 -8.668 -0.216 1.633 1.00 1.00 O ATOM 1390 CB ARG A 83 -8.425 1.349 -1.421 1.00 1.00 C ATOM 1391 CG ARG A 83 -9.307 2.225 -2.315 1.00 1.00 C ATOM 1392 CD ARG A 83 -8.501 2.693 -3.529 1.00 1.00 C ATOM 1393 NE ARG A 83 -9.434 3.173 -4.589 1.00 1.00 N ATOM 1394 CZ ARG A 83 -9.903 4.393 -4.548 1.00 1.00 C ATOM 1395 NH1 ARG A 83 -9.132 5.400 -4.865 1.00 1.00 N ATOM 1396 NH2 ARG A 83 -11.143 4.605 -4.191 1.00 1.00 N ATOM 0 H ARG A 83 -7.311 1.493 1.569 1.00 1.00 H new ATOM 0 HA ARG A 83 -9.591 2.327 0.103 1.00 1.00 H new ATOM 0 HB2 ARG A 83 -7.374 1.584 -1.587 1.00 1.00 H new ATOM 0 HB3 ARG A 83 -8.561 0.298 -1.675 1.00 1.00 H new ATOM 0 HG2 ARG A 83 -10.183 1.664 -2.641 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -9.671 3.085 -1.753 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -7.819 3.493 -3.240 1.00 1.00 H new ATOM 0 HD3 ARG A 83 -7.890 1.875 -3.911 1.00 1.00 H new ATOM 0 HE ARG A 83 -9.707 2.548 -5.348 1.00 1.00 H new ATOM 0 HH11 ARG A 83 -8.165 5.234 -5.144 1.00 1.00 H new ATOM 0 HH12 ARG A 83 -9.497 6.352 -4.833 1.00 1.00 H new ATOM 0 HH21 ARG A 83 -11.744 3.819 -3.945 1.00 1.00 H new ATOM 0 HH22 ARG A 83 -11.509 5.557 -4.159 1.00 1.00 H new ATOM 1498 N VAL A 89 -3.655 -7.274 1.773 1.00 1.00 N ATOM 1499 CA VAL A 89 -2.187 -7.091 1.530 1.00 1.00 C ATOM 1500 C VAL A 89 -1.704 -8.121 0.497 1.00 1.00 C ATOM 1501 O VAL A 89 -0.874 -7.820 -0.341 1.00 1.00 O ATOM 1502 CB VAL A 89 -1.418 -7.281 2.846 1.00 1.00 C ATOM 1503 CG1 VAL A 89 0.070 -7.000 2.619 1.00 1.00 C ATOM 1504 CG2 VAL A 89 -1.958 -6.309 3.901 1.00 1.00 C ATOM 0 HA VAL A 89 -2.007 -6.086 1.150 1.00 1.00 H new ATOM 0 HB VAL A 89 -1.547 -8.307 3.191 1.00 1.00 H new ATOM 0 HG11 VAL A 89 0.613 -7.136 3.554 1.00 1.00 H new ATOM 0 HG12 VAL A 89 0.460 -7.689 1.870 1.00 1.00 H new ATOM 0 HG13 VAL A 89 0.198 -5.975 2.271 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -1.412 -6.445 4.834 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -1.830 -5.285 3.551 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -3.017 -6.506 4.069 1.00 1.00 H new ATOM 1514 N GLU A 90 -2.225 -9.329 0.552 1.00 1.00 N ATOM 1515 CA GLU A 90 -1.811 -10.387 -0.425 1.00 1.00 C ATOM 1516 C GLU A 90 -2.135 -9.927 -1.851 1.00 1.00 C ATOM 1517 O GLU A 90 -1.345 -10.108 -2.760 1.00 1.00 O ATOM 1518 CB GLU A 90 -2.568 -11.685 -0.124 1.00 1.00 C ATOM 1519 CG GLU A 90 -1.948 -12.372 1.097 1.00 1.00 C ATOM 1520 CD GLU A 90 -2.899 -13.456 1.616 1.00 1.00 C ATOM 1521 OE1 GLU A 90 -3.737 -13.136 2.444 1.00 1.00 O ATOM 1522 OE2 GLU A 90 -2.771 -14.588 1.177 1.00 1.00 O ATOM 0 H GLU A 90 -2.922 -9.626 1.235 1.00 1.00 H new ATOM 0 HA GLU A 90 -0.739 -10.561 -0.336 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -3.620 -11.469 0.063 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -2.528 -12.350 -0.987 1.00 1.00 H new ATOM 0 HG2 GLU A 90 -0.988 -12.814 0.830 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -1.754 -11.639 1.880 1.00 1.00 H new ATOM 1529 N TRP A 91 -3.290 -9.326 -2.047 1.00 1.00 N ATOM 1530 CA TRP A 91 -3.679 -8.838 -3.407 1.00 1.00 C ATOM 1531 C TRP A 91 -2.652 -7.809 -3.894 1.00 1.00 C ATOM 1532 O TRP A 91 -2.196 -7.866 -5.023 1.00 1.00 O ATOM 1533 CB TRP A 91 -5.068 -8.192 -3.337 1.00 1.00 C ATOM 1534 CG TRP A 91 -5.417 -7.573 -4.658 1.00 1.00 C ATOM 1535 CD1 TRP A 91 -4.966 -6.375 -5.095 1.00 1.00 C ATOM 1536 CD2 TRP A 91 -6.276 -8.095 -5.713 1.00 1.00 C ATOM 1537 NE1 TRP A 91 -5.490 -6.130 -6.351 1.00 1.00 N ATOM 1538 CE2 TRP A 91 -6.305 -7.160 -6.774 1.00 1.00 C ATOM 1539 CE3 TRP A 91 -7.025 -9.278 -5.851 1.00 1.00 C ATOM 1540 CZ2 TRP A 91 -7.050 -7.389 -7.931 1.00 1.00 C ATOM 1541 CZ3 TRP A 91 -7.777 -9.511 -7.014 1.00 1.00 C ATOM 1542 CH2 TRP A 91 -7.789 -8.568 -8.052 1.00 1.00 C ATOM 0 H TRP A 91 -3.981 -9.154 -1.317 1.00 1.00 H new ATOM 0 HA TRP A 91 -3.705 -9.676 -4.104 1.00 1.00 H new ATOM 0 HB2 TRP A 91 -5.813 -8.942 -3.070 1.00 1.00 H new ATOM 0 HB3 TRP A 91 -5.085 -7.433 -2.555 1.00 1.00 H new ATOM 0 HD1 TRP A 91 -4.304 -5.717 -4.551 1.00 1.00 H new ATOM 0 HE1 TRP A 91 -5.298 -5.291 -6.898 1.00 1.00 H new ATOM 0 HE3 TRP A 91 -7.022 -10.011 -5.058 1.00 1.00 H new ATOM 0 HZ2 TRP A 91 -7.055 -6.660 -8.728 1.00 1.00 H new ATOM 0 HZ3 TRP A 91 -8.349 -10.422 -7.110 1.00 1.00 H new ATOM 0 HH2 TRP A 91 -8.369 -8.753 -8.944 1.00 1.00 H new ATOM 1553 N LEU A 92 -2.291 -6.866 -3.052 1.00 1.00 N ATOM 1554 CA LEU A 92 -1.299 -5.822 -3.460 1.00 1.00 C ATOM 1555 C LEU A 92 0.062 -6.469 -3.757 1.00 1.00 C ATOM 1556 O LEU A 92 0.748 -6.074 -4.683 1.00 1.00 O ATOM 1557 CB LEU A 92 -1.149 -4.791 -2.339 1.00 1.00 C ATOM 1558 CG LEU A 92 -2.403 -3.913 -2.285 1.00 1.00 C ATOM 1559 CD1 LEU A 92 -2.430 -3.139 -0.967 1.00 1.00 C ATOM 1560 CD2 LEU A 92 -2.386 -2.924 -3.456 1.00 1.00 C ATOM 0 H LEU A 92 -2.643 -6.776 -2.099 1.00 1.00 H new ATOM 0 HA LEU A 92 -1.656 -5.327 -4.363 1.00 1.00 H new ATOM 0 HB2 LEU A 92 -1.003 -5.295 -1.384 1.00 1.00 H new ATOM 0 HB3 LEU A 92 -0.267 -4.174 -2.512 1.00 1.00 H new ATOM 0 HG LEU A 92 -3.289 -4.544 -2.354 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -3.323 -2.515 -0.930 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -2.443 -3.841 -0.133 1.00 1.00 H new ATOM 0 HD13 LEU A 92 -1.543 -2.509 -0.897 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -3.278 -2.299 -3.418 1.00 1.00 H new ATOM 0 HD22 LEU A 92 -1.499 -2.294 -3.388 1.00 1.00 H new ATOM 0 HD23 LEU A 92 -2.369 -3.474 -4.397 1.00 1.00 H new ATOM 1572 N LYS A 93 0.450 -7.466 -2.989 1.00 1.00 N ATOM 1573 CA LYS A 93 1.761 -8.149 -3.235 1.00 1.00 C ATOM 1574 C LYS A 93 1.737 -8.791 -4.631 1.00 1.00 C ATOM 1575 O LYS A 93 2.634 -8.585 -5.437 1.00 1.00 O ATOM 1576 CB LYS A 93 1.980 -9.232 -2.172 1.00 1.00 C ATOM 1577 CG LYS A 93 2.404 -8.580 -0.851 1.00 1.00 C ATOM 1578 CD LYS A 93 3.922 -8.689 -0.688 1.00 1.00 C ATOM 1579 CE LYS A 93 4.294 -8.531 0.788 1.00 1.00 C ATOM 1580 NZ LYS A 93 5.544 -9.294 1.072 1.00 1.00 N ATOM 0 H LYS A 93 -0.087 -7.834 -2.203 1.00 1.00 H new ATOM 0 HA LYS A 93 2.573 -7.423 -3.180 1.00 1.00 H new ATOM 0 HB2 LYS A 93 1.064 -9.805 -2.028 1.00 1.00 H new ATOM 0 HB3 LYS A 93 2.745 -9.933 -2.505 1.00 1.00 H new ATOM 0 HG2 LYS A 93 2.101 -7.533 -0.837 1.00 1.00 H new ATOM 0 HG3 LYS A 93 1.902 -9.068 -0.015 1.00 1.00 H new ATOM 0 HD2 LYS A 93 4.269 -9.653 -1.059 1.00 1.00 H new ATOM 0 HD3 LYS A 93 4.417 -7.921 -1.282 1.00 1.00 H new ATOM 0 HE2 LYS A 93 4.437 -7.477 1.027 1.00 1.00 H new ATOM 0 HE3 LYS A 93 3.483 -8.894 1.419 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 6.034 -8.868 1.884 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 5.305 -10.282 1.291 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 6.165 -9.265 0.239 1.00 1.00 H new ATOM 1594 N ARG A 94 0.701 -9.547 -4.925 1.00 1.00 N ATOM 1595 CA ARG A 94 0.581 -10.194 -6.269 1.00 1.00 C ATOM 1596 C ARG A 94 0.618 -9.111 -7.353 1.00 1.00 C ATOM 1597 O ARG A 94 1.164 -9.311 -8.423 1.00 1.00 O ATOM 1598 CB ARG A 94 -0.745 -10.955 -6.354 1.00 1.00 C ATOM 1599 CG ARG A 94 -0.484 -12.396 -6.807 1.00 1.00 C ATOM 1600 CD ARG A 94 -1.501 -12.793 -7.881 1.00 1.00 C ATOM 1601 NE ARG A 94 -2.883 -12.491 -7.404 1.00 1.00 N ATOM 1602 CZ ARG A 94 -3.564 -13.395 -6.753 1.00 1.00 C ATOM 1603 NH1 ARG A 94 -4.235 -14.305 -7.410 1.00 1.00 N ATOM 1604 NH2 ARG A 94 -3.577 -13.388 -5.446 1.00 1.00 N ATOM 0 H ARG A 94 -0.069 -9.743 -4.286 1.00 1.00 H new ATOM 0 HA ARG A 94 1.407 -10.890 -6.416 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -1.240 -10.953 -5.383 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -1.416 -10.459 -7.055 1.00 1.00 H new ATOM 0 HG2 ARG A 94 0.528 -12.486 -7.201 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -0.556 -13.073 -5.956 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -1.299 -12.251 -8.805 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -1.409 -13.855 -8.108 1.00 1.00 H new ATOM 0 HE ARG A 94 -3.296 -11.577 -7.587 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -4.226 -14.308 -8.430 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -4.767 -15.012 -6.903 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -3.055 -12.676 -4.935 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -4.109 -14.094 -4.937 1.00 1.00 H new ATOM 1618 N LYS A 95 0.045 -7.961 -7.070 1.00 1.00 N ATOM 1619 CA LYS A 95 0.036 -6.839 -8.056 1.00 1.00 C ATOM 1620 C LYS A 95 1.476 -6.396 -8.359 1.00 1.00 C ATOM 1621 O LYS A 95 1.786 -6.016 -9.473 1.00 1.00 O ATOM 1622 CB LYS A 95 -0.751 -5.661 -7.471 1.00 1.00 C ATOM 1623 CG LYS A 95 -1.299 -4.789 -8.606 1.00 1.00 C ATOM 1624 CD LYS A 95 -0.737 -3.369 -8.482 1.00 1.00 C ATOM 1625 CE LYS A 95 -1.404 -2.651 -7.302 1.00 1.00 C ATOM 1626 NZ LYS A 95 -1.774 -1.262 -7.702 1.00 1.00 N ATOM 0 H LYS A 95 -0.421 -7.755 -6.186 1.00 1.00 H new ATOM 0 HA LYS A 95 -0.434 -7.174 -8.981 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -1.571 -6.030 -6.855 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -0.107 -5.067 -6.822 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -1.025 -5.216 -9.571 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -2.388 -4.765 -8.566 1.00 1.00 H new ATOM 0 HD2 LYS A 95 0.342 -3.406 -8.335 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -0.914 -2.816 -9.404 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -2.293 -3.198 -6.987 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -0.726 -2.626 -6.449 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -2.226 -0.778 -6.900 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -0.918 -0.742 -7.982 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -2.436 -1.296 -8.503 1.00 1.00 H new ATOM 1640 N GLY A 96 2.355 -6.445 -7.379 1.00 1.00 N ATOM 1641 CA GLY A 96 3.773 -6.035 -7.613 1.00 1.00 C ATOM 1642 C GLY A 96 4.455 -7.034 -8.555 1.00 1.00 C ATOM 1643 O GLY A 96 5.242 -6.658 -9.406 1.00 1.00 O ATOM 0 H GLY A 96 2.146 -6.752 -6.429 1.00 1.00 H new ATOM 0 HA2 GLY A 96 3.805 -5.035 -8.044 1.00 1.00 H new ATOM 0 HA3 GLY A 96 4.309 -5.991 -6.665 1.00 1.00 H new ATOM 1647 N TYR A 97 4.174 -8.305 -8.383 1.00 1.00 N ATOM 1648 CA TYR A 97 4.816 -9.361 -9.238 1.00 1.00 C ATOM 1649 C TYR A 97 4.363 -9.232 -10.698 1.00 1.00 C ATOM 1650 O TYR A 97 5.186 -9.162 -11.594 1.00 1.00 O ATOM 1651 CB TYR A 97 4.460 -10.755 -8.704 1.00 1.00 C ATOM 1652 CG TYR A 97 4.533 -10.758 -7.191 1.00 1.00 C ATOM 1653 CD1 TYR A 97 5.530 -10.022 -6.535 1.00 1.00 C ATOM 1654 CD2 TYR A 97 3.595 -11.480 -6.449 1.00 1.00 C ATOM 1655 CE1 TYR A 97 5.587 -10.011 -5.140 1.00 1.00 C ATOM 1656 CE2 TYR A 97 3.652 -11.470 -5.051 1.00 1.00 C ATOM 1657 CZ TYR A 97 4.648 -10.735 -4.395 1.00 1.00 C ATOM 1658 OH TYR A 97 4.704 -10.732 -3.014 1.00 1.00 O ATOM 0 H TYR A 97 3.523 -8.660 -7.683 1.00 1.00 H new ATOM 0 HA TYR A 97 5.897 -9.223 -9.199 1.00 1.00 H new ATOM 0 HB2 TYR A 97 3.458 -11.034 -9.030 1.00 1.00 H new ATOM 0 HB3 TYR A 97 5.146 -11.497 -9.112 1.00 1.00 H new ATOM 0 HD1 TYR A 97 6.254 -9.463 -7.109 1.00 1.00 H new ATOM 0 HD2 TYR A 97 2.826 -12.046 -6.954 1.00 1.00 H new ATOM 0 HE1 TYR A 97 6.355 -9.444 -4.635 1.00 1.00 H new ATOM 0 HE2 TYR A 97 2.928 -12.029 -4.477 1.00 1.00 H new ATOM 0 HH TYR A 97 5.574 -10.389 -2.723 1.00 1.00 H new ATOM 1668 N LEU A 98 3.071 -9.203 -10.949 1.00 1.00 N ATOM 1669 CA LEU A 98 2.584 -9.079 -12.363 1.00 1.00 C ATOM 1670 C LEU A 98 3.093 -7.763 -12.967 1.00 1.00 C ATOM 1671 O LEU A 98 3.460 -7.708 -14.126 1.00 1.00 O ATOM 1672 CB LEU A 98 1.045 -9.129 -12.412 1.00 1.00 C ATOM 1673 CG LEU A 98 0.436 -8.016 -11.550 1.00 1.00 C ATOM 1674 CD1 LEU A 98 0.108 -6.803 -12.427 1.00 1.00 C ATOM 1675 CD2 LEU A 98 -0.852 -8.529 -10.901 1.00 1.00 C ATOM 0 H LEU A 98 2.339 -9.259 -10.241 1.00 1.00 H new ATOM 0 HA LEU A 98 2.970 -9.915 -12.945 1.00 1.00 H new ATOM 0 HB2 LEU A 98 0.706 -9.024 -13.443 1.00 1.00 H new ATOM 0 HB3 LEU A 98 0.697 -10.100 -12.059 1.00 1.00 H new ATOM 0 HG LEU A 98 1.150 -7.724 -10.780 1.00 1.00 H new ATOM 0 HD11 LEU A 98 -0.324 -6.015 -11.811 1.00 1.00 H new ATOM 0 HD12 LEU A 98 1.021 -6.437 -12.897 1.00 1.00 H new ATOM 0 HD13 LEU A 98 -0.606 -7.094 -13.198 1.00 1.00 H new ATOM 0 HD21 LEU A 98 -1.289 -7.741 -10.287 1.00 1.00 H new ATOM 0 HD22 LEU A 98 -1.560 -8.819 -11.677 1.00 1.00 H new ATOM 0 HD23 LEU A 98 -0.625 -9.393 -10.276 1.00 1.00 H new ATOM 1687 N ASP A 99 3.134 -6.712 -12.180 1.00 1.00 N ATOM 1688 CA ASP A 99 3.632 -5.394 -12.678 1.00 1.00 C ATOM 1689 C ASP A 99 5.128 -5.508 -13.015 1.00 1.00 C ATOM 1690 O ASP A 99 5.582 -4.999 -14.024 1.00 1.00 O ATOM 1691 CB ASP A 99 3.419 -4.337 -11.585 1.00 1.00 C ATOM 1692 CG ASP A 99 4.350 -3.139 -11.806 1.00 1.00 C ATOM 1693 OD1 ASP A 99 4.014 -2.288 -12.616 1.00 1.00 O ATOM 1694 OD2 ASP A 99 5.384 -3.092 -11.160 1.00 1.00 O ATOM 0 H ASP A 99 2.840 -6.715 -11.203 1.00 1.00 H new ATOM 0 HA ASP A 99 3.087 -5.103 -13.576 1.00 1.00 H new ATOM 0 HB2 ASP A 99 2.381 -4.004 -11.591 1.00 1.00 H new ATOM 0 HB3 ASP A 99 3.608 -4.776 -10.605 1.00 1.00 H new ATOM 1699 N GLU A 100 5.886 -6.167 -12.165 1.00 1.00 N ATOM 1700 CA GLU A 100 7.357 -6.328 -12.402 1.00 1.00 C ATOM 1701 C GLU A 100 7.609 -6.847 -13.825 1.00 1.00 C ATOM 1702 O GLU A 100 8.422 -6.302 -14.551 1.00 1.00 O ATOM 1703 CB GLU A 100 7.925 -7.323 -11.382 1.00 1.00 C ATOM 1704 CG GLU A 100 9.444 -7.432 -11.549 1.00 1.00 C ATOM 1705 CD GLU A 100 9.800 -8.799 -12.144 1.00 1.00 C ATOM 1706 OE1 GLU A 100 9.898 -9.749 -11.381 1.00 1.00 O ATOM 1707 OE2 GLU A 100 9.967 -8.876 -13.351 1.00 1.00 O ATOM 0 H GLU A 100 5.543 -6.604 -11.309 1.00 1.00 H new ATOM 0 HA GLU A 100 7.848 -5.362 -12.288 1.00 1.00 H new ATOM 0 HB2 GLU A 100 7.684 -6.997 -10.370 1.00 1.00 H new ATOM 0 HB3 GLU A 100 7.464 -8.301 -11.520 1.00 1.00 H new ATOM 0 HG2 GLU A 100 9.806 -6.636 -12.199 1.00 1.00 H new ATOM 0 HG3 GLU A 100 9.936 -7.305 -10.585 1.00 1.00 H new