USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 454 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 39 CYS SG : rot 68:sc= -12.5! USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= -0.613 (180deg=-1.29) 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 :FLIP amide:sc= -3.99! C(o=-5.5!,f=-4!) USER MOD Single : A 77 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.167) USER MOD Single : A 78 CYS SG : rot -82:sc= -10.6! USER MOD Single : A 93 LYS NZ :NH3+ 176:sc= 0.00221 (180deg=0.000187) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot -15:sc= -0.803 USER MOD ----------------------------------------------------------------- ATOM 351 N GLU A 21 7.927 0.916 -4.503 1.00 1.00 N ATOM 352 CA GLU A 21 6.506 0.909 -4.020 1.00 1.00 C ATOM 353 C GLU A 21 6.313 -0.139 -2.914 1.00 1.00 C ATOM 354 O GLU A 21 6.495 -1.324 -3.129 1.00 1.00 O ATOM 355 CB GLU A 21 5.567 0.594 -5.193 1.00 1.00 C ATOM 356 CG GLU A 21 4.472 1.664 -5.280 1.00 1.00 C ATOM 357 CD GLU A 21 3.386 1.385 -4.234 1.00 1.00 C ATOM 358 OE1 GLU A 21 2.451 0.668 -4.553 1.00 1.00 O ATOM 359 OE2 GLU A 21 3.506 1.894 -3.133 1.00 1.00 O ATOM 0 HA GLU A 21 6.273 1.893 -3.613 1.00 1.00 H new ATOM 0 HB2 GLU A 21 6.132 0.561 -6.125 1.00 1.00 H new ATOM 0 HB3 GLU A 21 5.118 -0.390 -5.058 1.00 1.00 H new ATOM 0 HG2 GLU A 21 4.903 2.652 -5.115 1.00 1.00 H new ATOM 0 HG3 GLU A 21 4.035 1.669 -6.278 1.00 1.00 H new ATOM 366 N ILE A 22 5.926 0.293 -1.735 1.00 1.00 N ATOM 367 CA ILE A 22 5.697 -0.665 -0.610 1.00 1.00 C ATOM 368 C ILE A 22 4.176 -0.834 -0.433 1.00 1.00 C ATOM 369 O ILE A 22 3.411 0.053 -0.802 1.00 1.00 O ATOM 370 CB ILE A 22 6.359 -0.092 0.656 1.00 1.00 C ATOM 371 CG1 ILE A 22 7.639 -0.876 0.963 1.00 1.00 C ATOM 372 CG2 ILE A 22 5.412 -0.186 1.846 1.00 1.00 C ATOM 373 CD1 ILE A 22 8.856 -0.075 0.496 1.00 1.00 C ATOM 0 H ILE A 22 5.759 1.273 -1.505 1.00 1.00 H new ATOM 0 HA ILE A 22 6.135 -1.643 -0.810 1.00 1.00 H new ATOM 0 HB ILE A 22 6.599 0.957 0.480 1.00 1.00 H new ATOM 0 HG12 ILE A 22 7.709 -1.073 2.033 1.00 1.00 H new ATOM 0 HG13 ILE A 22 7.614 -1.844 0.462 1.00 1.00 H new ATOM 0 HG21 ILE A 22 5.898 0.224 2.731 1.00 1.00 H new ATOM 0 HG22 ILE A 22 4.505 0.381 1.635 1.00 1.00 H new ATOM 0 HG23 ILE A 22 5.154 -1.230 2.024 1.00 1.00 H new ATOM 0 HD11 ILE A 22 9.766 -0.634 0.715 1.00 1.00 H new ATOM 0 HD12 ILE A 22 8.787 0.099 -0.578 1.00 1.00 H new ATOM 0 HD13 ILE A 22 8.884 0.882 1.017 1.00 1.00 H new ATOM 385 N LEU A 23 3.709 -1.946 0.117 1.00 1.00 N ATOM 386 CA LEU A 23 2.206 -2.092 0.265 1.00 1.00 C ATOM 387 C LEU A 23 1.869 -2.320 1.727 1.00 1.00 C ATOM 388 O LEU A 23 2.343 -3.268 2.303 1.00 1.00 O ATOM 389 CB LEU A 23 1.700 -3.272 -0.587 1.00 1.00 C ATOM 390 CG LEU A 23 2.351 -4.590 -0.139 1.00 1.00 C ATOM 391 CD1 LEU A 23 1.325 -5.439 0.616 1.00 1.00 C ATOM 392 CD2 LEU A 23 2.834 -5.367 -1.367 1.00 1.00 C ATOM 0 H LEU A 23 4.272 -2.726 0.456 1.00 1.00 H new ATOM 0 HA LEU A 23 1.717 -1.182 -0.082 1.00 1.00 H new ATOM 0 HB2 LEU A 23 0.616 -3.349 -0.501 1.00 1.00 H new ATOM 0 HB3 LEU A 23 1.924 -3.090 -1.638 1.00 1.00 H new ATOM 0 HG LEU A 23 3.196 -4.368 0.513 1.00 1.00 H new ATOM 0 HD11 LEU A 23 1.788 -6.373 0.933 1.00 1.00 H new ATOM 0 HD12 LEU A 23 0.974 -4.893 1.492 1.00 1.00 H new ATOM 0 HD13 LEU A 23 0.481 -5.656 -0.038 1.00 1.00 H new ATOM 0 HD21 LEU A 23 3.296 -6.301 -1.048 1.00 1.00 H new ATOM 0 HD22 LEU A 23 1.986 -5.584 -2.017 1.00 1.00 H new ATOM 0 HD23 LEU A 23 3.565 -4.769 -1.912 1.00 1.00 H new ATOM 404 N GLY A 24 1.096 -1.477 2.370 1.00 1.00 N ATOM 405 CA GLY A 24 0.849 -1.730 3.826 1.00 1.00 C ATOM 406 C GLY A 24 -0.592 -1.475 4.257 1.00 1.00 C ATOM 407 O GLY A 24 -1.342 -0.755 3.624 1.00 1.00 O ATOM 0 H GLY A 24 0.641 -0.656 1.970 1.00 1.00 H new ATOM 0 HA2 GLY A 24 1.110 -2.763 4.056 1.00 1.00 H new ATOM 0 HA3 GLY A 24 1.512 -1.095 4.414 1.00 1.00 H new ATOM 411 N ILE A 25 -0.942 -2.045 5.386 1.00 1.00 N ATOM 412 CA ILE A 25 -2.299 -1.847 5.973 1.00 1.00 C ATOM 413 C ILE A 25 -2.152 -0.773 7.055 1.00 1.00 C ATOM 414 O ILE A 25 -1.244 -0.821 7.877 1.00 1.00 O ATOM 415 CB ILE A 25 -2.841 -3.150 6.597 1.00 1.00 C ATOM 416 CG1 ILE A 25 -1.705 -3.963 7.252 1.00 1.00 C ATOM 417 CG2 ILE A 25 -3.530 -3.988 5.517 1.00 1.00 C ATOM 418 CD1 ILE A 25 -1.018 -4.864 6.216 1.00 1.00 C ATOM 0 H ILE A 25 -0.330 -2.650 5.933 1.00 1.00 H new ATOM 0 HA ILE A 25 -3.006 -1.549 5.198 1.00 1.00 H new ATOM 0 HB ILE A 25 -3.562 -2.890 7.372 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -0.974 -3.286 7.694 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -2.107 -4.572 8.062 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -3.912 -4.908 5.959 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -4.356 -3.421 5.088 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -2.813 -4.233 4.734 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -0.220 -5.429 6.697 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -1.748 -5.555 5.794 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -0.598 -4.249 5.420 1.00 1.00 H new ATOM 430 N ILE A 26 -3.009 0.212 7.026 1.00 1.00 N ATOM 431 CA ILE A 26 -2.916 1.334 8.005 1.00 1.00 C ATOM 432 C ILE A 26 -3.904 1.167 9.165 1.00 1.00 C ATOM 433 O ILE A 26 -4.946 0.534 9.050 1.00 1.00 O ATOM 434 CB ILE A 26 -3.182 2.650 7.264 1.00 1.00 C ATOM 435 CG1 ILE A 26 -2.337 3.768 7.875 1.00 1.00 C ATOM 436 CG2 ILE A 26 -4.667 3.030 7.338 1.00 1.00 C ATOM 437 CD1 ILE A 26 -1.607 4.521 6.758 1.00 1.00 C ATOM 0 H ILE A 26 -3.777 0.288 6.359 1.00 1.00 H new ATOM 0 HA ILE A 26 -1.916 1.337 8.439 1.00 1.00 H new ATOM 0 HB ILE A 26 -2.910 2.514 6.217 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -2.972 4.454 8.436 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -1.617 3.351 8.579 1.00 1.00 H new ATOM 0 HG21 ILE A 26 -4.830 3.967 6.805 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -5.267 2.243 6.881 1.00 1.00 H new ATOM 0 HG23 ILE A 26 -4.960 3.150 8.381 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -1.004 5.319 7.191 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -0.961 3.831 6.216 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -2.337 4.950 6.071 1.00 1.00 H new ATOM 449 N GLU A 27 -3.556 1.765 10.277 1.00 1.00 N ATOM 450 CA GLU A 27 -4.406 1.717 11.504 1.00 1.00 C ATOM 451 C GLU A 27 -4.382 3.099 12.174 1.00 1.00 C ATOM 452 O GLU A 27 -3.323 3.664 12.413 1.00 1.00 O ATOM 453 CB GLU A 27 -3.848 0.672 12.479 1.00 1.00 C ATOM 454 CG GLU A 27 -4.083 -0.739 11.927 1.00 1.00 C ATOM 455 CD GLU A 27 -5.271 -1.387 12.645 1.00 1.00 C ATOM 456 OE1 GLU A 27 -5.076 -1.891 13.741 1.00 1.00 O ATOM 457 OE2 GLU A 27 -6.355 -1.374 12.086 1.00 1.00 O ATOM 0 H GLU A 27 -2.694 2.299 10.387 1.00 1.00 H new ATOM 0 HA GLU A 27 -5.427 1.447 11.235 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -2.782 0.838 12.632 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -4.330 0.776 13.451 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -4.276 -0.692 10.855 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -3.188 -1.346 12.064 1.00 1.00 H new ATOM 545 N ARG A 34 -1.166 11.812 11.618 1.00 1.00 N ATOM 546 CA ARG A 34 -0.424 10.668 11.003 1.00 1.00 C ATOM 547 C ARG A 34 -0.930 9.342 11.590 1.00 1.00 C ATOM 548 O ARG A 34 -1.549 9.308 12.640 1.00 1.00 O ATOM 549 CB ARG A 34 1.075 10.818 11.278 1.00 1.00 C ATOM 550 CG ARG A 34 1.669 11.868 10.334 1.00 1.00 C ATOM 551 CD ARG A 34 1.772 13.212 11.061 1.00 1.00 C ATOM 552 NE ARG A 34 2.831 14.046 10.423 1.00 1.00 N ATOM 553 CZ ARG A 34 2.541 14.800 9.396 1.00 1.00 C ATOM 554 NH1 ARG A 34 1.899 15.926 9.572 1.00 1.00 N ATOM 555 NH2 ARG A 34 2.895 14.429 8.193 1.00 1.00 N ATOM 0 HA ARG A 34 -0.594 10.669 9.926 1.00 1.00 H new ATOM 0 HB2 ARG A 34 1.237 11.113 12.315 1.00 1.00 H new ATOM 0 HB3 ARG A 34 1.578 9.861 11.137 1.00 1.00 H new ATOM 0 HG2 ARG A 34 2.655 11.550 9.994 1.00 1.00 H new ATOM 0 HG3 ARG A 34 1.044 11.970 9.447 1.00 1.00 H new ATOM 0 HD2 ARG A 34 0.814 13.731 11.024 1.00 1.00 H new ATOM 0 HD3 ARG A 34 2.007 13.051 12.113 1.00 1.00 H new ATOM 0 HE ARG A 34 3.783 14.028 10.789 1.00 1.00 H new ATOM 0 HH11 ARG A 34 1.625 16.215 10.511 1.00 1.00 H new ATOM 0 HH12 ARG A 34 1.673 16.515 8.770 1.00 1.00 H new ATOM 0 HH21 ARG A 34 3.397 13.552 8.057 1.00 1.00 H new ATOM 0 HH22 ARG A 34 2.669 15.017 7.391 1.00 1.00 H new ATOM 569 N VAL A 35 -0.678 8.256 10.903 1.00 1.00 N ATOM 570 CA VAL A 35 -1.145 6.914 11.380 1.00 1.00 C ATOM 571 C VAL A 35 0.000 5.909 11.380 1.00 1.00 C ATOM 572 O VAL A 35 1.070 6.143 10.844 1.00 1.00 O ATOM 573 CB VAL A 35 -2.264 6.371 10.505 1.00 1.00 C ATOM 574 CG1 VAL A 35 -3.542 7.152 10.769 1.00 1.00 C ATOM 575 CG2 VAL A 35 -1.859 6.489 9.046 1.00 1.00 C ATOM 0 H VAL A 35 -0.163 8.240 10.023 1.00 1.00 H new ATOM 0 HA VAL A 35 -1.517 7.052 12.395 1.00 1.00 H new ATOM 0 HB VAL A 35 -2.443 5.322 10.739 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -4.343 6.762 10.141 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -3.821 7.050 11.818 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -3.380 8.205 10.537 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -2.658 6.101 8.414 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -1.679 7.536 8.802 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -0.949 5.915 8.874 1.00 1.00 H new ATOM 585 N ARG A 36 -0.246 4.791 11.988 1.00 1.00 N ATOM 586 CA ARG A 36 0.791 3.704 12.067 1.00 1.00 C ATOM 587 C ARG A 36 0.406 2.571 11.115 1.00 1.00 C ATOM 588 O ARG A 36 -0.730 2.129 11.102 1.00 1.00 O ATOM 589 CB ARG A 36 0.884 3.155 13.500 1.00 1.00 C ATOM 590 CG ARG A 36 -0.492 3.196 14.177 1.00 1.00 C ATOM 591 CD ARG A 36 -0.501 2.255 15.384 1.00 1.00 C ATOM 592 NE ARG A 36 -1.887 2.155 15.925 1.00 1.00 N ATOM 593 CZ ARG A 36 -2.108 1.521 17.045 1.00 1.00 C ATOM 594 NH1 ARG A 36 -1.930 2.133 18.187 1.00 1.00 N ATOM 595 NH2 ARG A 36 -2.504 0.275 17.022 1.00 1.00 N ATOM 0 H ARG A 36 -1.131 4.569 12.444 1.00 1.00 H new ATOM 0 HA ARG A 36 1.759 4.117 11.784 1.00 1.00 H new ATOM 0 HB2 ARG A 36 1.257 2.131 13.481 1.00 1.00 H new ATOM 0 HB3 ARG A 36 1.598 3.743 14.076 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -0.721 4.213 14.495 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -1.266 2.901 13.468 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -0.141 1.268 15.092 1.00 1.00 H new ATOM 0 HD3 ARG A 36 0.175 2.627 16.154 1.00 1.00 H new ATOM 0 HE ARG A 36 -2.663 2.582 15.420 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -1.619 3.104 18.202 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -2.102 1.639 19.063 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -2.640 -0.201 16.130 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -2.677 -0.221 17.896 1.00 1.00 H new ATOM 609 N VAL A 37 1.331 2.103 10.300 1.00 1.00 N ATOM 610 CA VAL A 37 0.986 1.016 9.346 1.00 1.00 C ATOM 611 C VAL A 37 2.133 -0.006 9.234 1.00 1.00 C ATOM 612 O VAL A 37 3.309 0.338 9.230 1.00 1.00 O ATOM 613 CB VAL A 37 0.680 1.624 7.956 1.00 1.00 C ATOM 614 CG1 VAL A 37 1.051 3.112 7.919 1.00 1.00 C ATOM 615 CG2 VAL A 37 1.476 0.892 6.879 1.00 1.00 C ATOM 0 H VAL A 37 2.297 2.429 10.261 1.00 1.00 H new ATOM 0 HA VAL A 37 0.104 0.495 9.719 1.00 1.00 H new ATOM 0 HB VAL A 37 -0.388 1.516 7.769 1.00 1.00 H new ATOM 0 HG11 VAL A 37 0.827 3.518 6.933 1.00 1.00 H new ATOM 0 HG12 VAL A 37 0.475 3.650 8.672 1.00 1.00 H new ATOM 0 HG13 VAL A 37 2.115 3.227 8.126 1.00 1.00 H new ATOM 0 HG21 VAL A 37 1.254 1.327 5.904 1.00 1.00 H new ATOM 0 HG22 VAL A 37 2.542 0.989 7.086 1.00 1.00 H new ATOM 0 HG23 VAL A 37 1.201 -0.163 6.877 1.00 1.00 H new ATOM 625 N ARG A 38 1.767 -1.255 9.069 1.00 1.00 N ATOM 626 CA ARG A 38 2.779 -2.347 8.869 1.00 1.00 C ATOM 627 C ARG A 38 2.656 -2.756 7.405 1.00 1.00 C ATOM 628 O ARG A 38 1.564 -2.748 6.859 1.00 1.00 O ATOM 629 CB ARG A 38 2.494 -3.551 9.781 1.00 1.00 C ATOM 630 CG ARG A 38 0.987 -3.843 9.844 1.00 1.00 C ATOM 631 CD ARG A 38 0.714 -4.914 10.904 1.00 1.00 C ATOM 632 NE ARG A 38 0.645 -6.257 10.257 1.00 1.00 N ATOM 633 CZ ARG A 38 -0.504 -6.868 10.131 1.00 1.00 C ATOM 634 NH1 ARG A 38 -1.099 -7.370 11.183 1.00 1.00 N ATOM 635 NH2 ARG A 38 -1.057 -6.982 8.951 1.00 1.00 N ATOM 0 H ARG A 38 0.797 -1.570 9.064 1.00 1.00 H new ATOM 0 HA ARG A 38 3.782 -2.001 9.118 1.00 1.00 H new ATOM 0 HB2 ARG A 38 3.024 -4.428 9.409 1.00 1.00 H new ATOM 0 HB3 ARG A 38 2.873 -3.351 10.783 1.00 1.00 H new ATOM 0 HG2 ARG A 38 0.440 -2.932 10.084 1.00 1.00 H new ATOM 0 HG3 ARG A 38 0.631 -4.181 8.871 1.00 1.00 H new ATOM 0 HD2 ARG A 38 1.502 -4.903 11.657 1.00 1.00 H new ATOM 0 HD3 ARG A 38 -0.222 -4.699 11.419 1.00 1.00 H new ATOM 0 HE ARG A 38 1.497 -6.700 9.912 1.00 1.00 H new ATOM 0 HH11 ARG A 38 -0.666 -7.285 12.103 1.00 1.00 H new ATOM 0 HH12 ARG A 38 -1.995 -7.846 11.083 1.00 1.00 H new ATOM 0 HH21 ARG A 38 -0.592 -6.594 8.130 1.00 1.00 H new ATOM 0 HH22 ARG A 38 -1.953 -7.459 8.852 1.00 1.00 H new ATOM 649 N CYS A 39 3.740 -3.042 6.727 1.00 1.00 N ATOM 650 CA CYS A 39 3.594 -3.349 5.279 1.00 1.00 C ATOM 651 C CYS A 39 4.518 -4.462 4.774 1.00 1.00 C ATOM 652 O CYS A 39 5.551 -4.775 5.349 1.00 1.00 O ATOM 653 CB CYS A 39 3.894 -2.066 4.504 1.00 1.00 C ATOM 654 SG CYS A 39 5.644 -2.020 4.056 1.00 1.00 S ATOM 0 H CYS A 39 4.688 -3.075 7.101 1.00 1.00 H new ATOM 0 HA CYS A 39 2.578 -3.711 5.124 1.00 1.00 H new ATOM 0 HB2 CYS A 39 3.278 -2.019 3.606 1.00 1.00 H new ATOM 0 HB3 CYS A 39 3.641 -1.196 5.110 1.00 1.00 H new ATOM 0 HG CYS A 39 5.892 -2.946 3.178 1.00 1.00 H new ATOM 660 N LEU A 40 4.156 -4.985 3.627 1.00 1.00 N ATOM 661 CA LEU A 40 4.955 -6.008 2.944 1.00 1.00 C ATOM 662 C LEU A 40 5.892 -5.267 1.990 1.00 1.00 C ATOM 663 O LEU A 40 5.924 -4.026 1.954 1.00 1.00 O ATOM 664 CB LEU A 40 4.063 -6.963 2.150 1.00 1.00 C ATOM 665 CG LEU A 40 4.147 -8.391 2.717 1.00 1.00 C ATOM 666 CD1 LEU A 40 5.562 -8.705 3.220 1.00 1.00 C ATOM 667 CD2 LEU A 40 3.154 -8.536 3.871 1.00 1.00 C ATOM 0 H LEU A 40 3.304 -4.723 3.131 1.00 1.00 H new ATOM 0 HA LEU A 40 5.507 -6.605 3.670 1.00 1.00 H new ATOM 0 HB2 LEU A 40 3.031 -6.615 2.182 1.00 1.00 H new ATOM 0 HB3 LEU A 40 4.366 -6.965 1.103 1.00 1.00 H new ATOM 0 HG LEU A 40 3.903 -9.093 1.920 1.00 1.00 H new ATOM 0 HD11 LEU A 40 5.591 -9.721 3.615 1.00 1.00 H new ATOM 0 HD12 LEU A 40 6.269 -8.616 2.395 1.00 1.00 H new ATOM 0 HD13 LEU A 40 5.833 -8.002 4.008 1.00 1.00 H new ATOM 0 HD21 LEU A 40 3.211 -9.547 4.275 1.00 1.00 H new ATOM 0 HD22 LEU A 40 3.398 -7.818 4.654 1.00 1.00 H new ATOM 0 HD23 LEU A 40 2.144 -8.347 3.508 1.00 1.00 H new ATOM 679 N ASP A 41 6.705 -6.028 1.305 1.00 1.00 N ATOM 680 CA ASP A 41 7.804 -5.467 0.483 1.00 1.00 C ATOM 681 C ASP A 41 8.880 -5.082 1.532 1.00 1.00 C ATOM 682 O ASP A 41 9.762 -4.276 1.300 1.00 1.00 O ATOM 683 CB ASP A 41 7.364 -4.229 -0.333 1.00 1.00 C ATOM 684 CG ASP A 41 6.674 -4.668 -1.631 1.00 1.00 C ATOM 685 OD1 ASP A 41 5.766 -5.479 -1.558 1.00 1.00 O ATOM 686 OD2 ASP A 41 7.063 -4.178 -2.677 1.00 1.00 O ATOM 0 H ASP A 41 6.646 -7.046 1.285 1.00 1.00 H new ATOM 0 HA ASP A 41 8.157 -6.179 -0.264 1.00 1.00 H new ATOM 0 HB2 ASP A 41 6.684 -3.617 0.260 1.00 1.00 H new ATOM 0 HB3 ASP A 41 8.231 -3.610 -0.565 1.00 1.00 H new ATOM 691 N GLY A 42 8.805 -5.759 2.692 1.00 1.00 N ATOM 692 CA GLY A 42 9.783 -5.594 3.817 1.00 1.00 C ATOM 693 C GLY A 42 9.801 -4.187 4.426 1.00 1.00 C ATOM 694 O GLY A 42 10.860 -3.591 4.502 1.00 1.00 O ATOM 0 H GLY A 42 8.071 -6.439 2.890 1.00 1.00 H new ATOM 0 HA2 GLY A 42 9.546 -6.315 4.600 1.00 1.00 H new ATOM 0 HA3 GLY A 42 10.782 -5.835 3.454 1.00 1.00 H new ATOM 698 N LYS A 43 8.685 -3.636 4.890 1.00 1.00 N ATOM 699 CA LYS A 43 8.787 -2.269 5.499 1.00 1.00 C ATOM 700 C LYS A 43 7.816 -2.046 6.668 1.00 1.00 C ATOM 701 O LYS A 43 6.737 -2.608 6.735 1.00 1.00 O ATOM 702 CB LYS A 43 8.540 -1.205 4.429 1.00 1.00 C ATOM 703 CG LYS A 43 9.471 -0.013 4.664 1.00 1.00 C ATOM 704 CD LYS A 43 10.899 -0.378 4.239 1.00 1.00 C ATOM 705 CE LYS A 43 11.908 0.221 5.227 1.00 1.00 C ATOM 706 NZ LYS A 43 11.683 -0.337 6.594 1.00 1.00 N ATOM 0 H LYS A 43 7.756 -4.056 4.873 1.00 1.00 H new ATOM 0 HA LYS A 43 9.796 -2.187 5.903 1.00 1.00 H new ATOM 0 HB2 LYS A 43 8.713 -1.625 3.438 1.00 1.00 H new ATOM 0 HB3 LYS A 43 7.500 -0.879 4.460 1.00 1.00 H new ATOM 0 HG2 LYS A 43 9.122 0.850 4.097 1.00 1.00 H new ATOM 0 HG3 LYS A 43 9.456 0.270 5.717 1.00 1.00 H new ATOM 0 HD2 LYS A 43 11.011 -1.462 4.204 1.00 1.00 H new ATOM 0 HD3 LYS A 43 11.095 -0.004 3.234 1.00 1.00 H new ATOM 0 HE2 LYS A 43 12.924 0.001 4.899 1.00 1.00 H new ATOM 0 HE3 LYS A 43 11.808 1.306 5.248 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 12.493 -0.103 7.202 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 10.817 0.073 6.998 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 11.582 -1.370 6.535 1.00 1.00 H new ATOM 720 N THR A 44 8.200 -1.148 7.540 1.00 1.00 N ATOM 721 CA THR A 44 7.341 -0.731 8.697 1.00 1.00 C ATOM 722 C THR A 44 7.445 0.794 8.727 1.00 1.00 C ATOM 723 O THR A 44 8.535 1.355 8.839 1.00 1.00 O ATOM 724 CB THR A 44 7.825 -1.326 10.025 1.00 1.00 C ATOM 725 OG1 THR A 44 8.640 -2.470 9.790 1.00 1.00 O ATOM 726 CG2 THR A 44 6.609 -1.725 10.864 1.00 1.00 C ATOM 0 H THR A 44 9.101 -0.671 7.498 1.00 1.00 H new ATOM 0 HA THR A 44 6.318 -1.086 8.575 1.00 1.00 H new ATOM 0 HB THR A 44 8.417 -0.581 10.557 1.00 1.00 H new ATOM 0 HG1 THR A 44 8.943 -2.838 10.647 1.00 1.00 H new ATOM 0 HG21 THR A 44 6.944 -2.149 11.811 1.00 1.00 H new ATOM 0 HG22 THR A 44 5.996 -0.845 11.057 1.00 1.00 H new ATOM 0 HG23 THR A 44 6.020 -2.465 10.322 1.00 1.00 H new ATOM 734 N ARG A 45 6.340 1.472 8.534 1.00 1.00 N ATOM 735 CA ARG A 45 6.416 2.956 8.448 1.00 1.00 C ATOM 736 C ARG A 45 5.187 3.650 9.028 1.00 1.00 C ATOM 737 O ARG A 45 4.109 3.090 9.103 1.00 1.00 O ATOM 738 CB ARG A 45 6.530 3.368 6.960 1.00 1.00 C ATOM 739 CG ARG A 45 7.104 2.223 6.101 1.00 1.00 C ATOM 740 CD ARG A 45 6.016 1.180 5.805 1.00 1.00 C ATOM 741 NE ARG A 45 5.234 1.593 4.610 1.00 1.00 N ATOM 742 CZ ARG A 45 3.931 1.688 4.684 1.00 1.00 C ATOM 743 NH1 ARG A 45 3.386 2.595 5.449 1.00 1.00 N ATOM 744 NH2 ARG A 45 3.173 0.876 3.996 1.00 1.00 N ATOM 0 H ARG A 45 5.408 1.069 8.435 1.00 1.00 H new ATOM 0 HA ARG A 45 7.286 3.263 9.029 1.00 1.00 H new ATOM 0 HB2 ARG A 45 5.547 3.650 6.583 1.00 1.00 H new ATOM 0 HB3 ARG A 45 7.169 4.246 6.872 1.00 1.00 H new ATOM 0 HG2 ARG A 45 7.498 2.623 5.166 1.00 1.00 H new ATOM 0 HG3 ARG A 45 7.937 1.751 6.622 1.00 1.00 H new ATOM 0 HD2 ARG A 45 6.471 0.205 5.634 1.00 1.00 H new ATOM 0 HD3 ARG A 45 5.355 1.076 6.665 1.00 1.00 H new ATOM 0 HE ARG A 45 5.712 1.802 3.734 1.00 1.00 H new ATOM 0 HH11 ARG A 45 3.976 3.229 5.988 1.00 1.00 H new ATOM 0 HH12 ARG A 45 2.370 2.670 5.507 1.00 1.00 H new ATOM 0 HH21 ARG A 45 3.597 0.166 3.399 1.00 1.00 H new ATOM 0 HH22 ARG A 45 2.158 0.953 4.056 1.00 1.00 H new ATOM 758 N LEU A 46 5.344 4.913 9.342 1.00 1.00 N ATOM 759 CA LEU A 46 4.194 5.735 9.810 1.00 1.00 C ATOM 760 C LEU A 46 3.752 6.512 8.569 1.00 1.00 C ATOM 761 O LEU A 46 4.562 7.163 7.929 1.00 1.00 O ATOM 762 CB LEU A 46 4.641 6.699 10.914 1.00 1.00 C ATOM 763 CG LEU A 46 4.211 6.159 12.281 1.00 1.00 C ATOM 764 CD1 LEU A 46 4.768 4.747 12.485 1.00 1.00 C ATOM 765 CD2 LEU A 46 4.755 7.079 13.374 1.00 1.00 C ATOM 0 H LEU A 46 6.232 5.412 9.292 1.00 1.00 H new ATOM 0 HA LEU A 46 3.391 5.129 10.230 1.00 1.00 H new ATOM 0 HB2 LEU A 46 5.724 6.822 10.886 1.00 1.00 H new ATOM 0 HB3 LEU A 46 4.204 7.684 10.748 1.00 1.00 H new ATOM 0 HG LEU A 46 3.123 6.124 12.329 1.00 1.00 H new ATOM 0 HD11 LEU A 46 4.457 4.371 13.460 1.00 1.00 H new ATOM 0 HD12 LEU A 46 4.387 4.089 11.704 1.00 1.00 H new ATOM 0 HD13 LEU A 46 5.857 4.775 12.437 1.00 1.00 H new ATOM 0 HD21 LEU A 46 4.453 6.701 14.351 1.00 1.00 H new ATOM 0 HD22 LEU A 46 5.843 7.108 13.317 1.00 1.00 H new ATOM 0 HD23 LEU A 46 4.357 8.084 13.235 1.00 1.00 H new ATOM 777 N GLY A 47 2.513 6.400 8.170 1.00 1.00 N ATOM 778 CA GLY A 47 2.085 7.073 6.908 1.00 1.00 C ATOM 779 C GLY A 47 1.423 8.423 7.158 1.00 1.00 C ATOM 780 O GLY A 47 0.719 8.627 8.132 1.00 1.00 O ATOM 0 H GLY A 47 1.785 5.877 8.657 1.00 1.00 H new ATOM 0 HA2 GLY A 47 2.952 7.212 6.263 1.00 1.00 H new ATOM 0 HA3 GLY A 47 1.390 6.425 6.373 1.00 1.00 H new ATOM 784 N ARG A 48 1.641 9.338 6.239 1.00 1.00 N ATOM 785 CA ARG A 48 1.034 10.694 6.340 1.00 1.00 C ATOM 786 C ARG A 48 -0.096 10.814 5.312 1.00 1.00 C ATOM 787 O ARG A 48 0.009 10.330 4.195 1.00 1.00 O ATOM 788 CB ARG A 48 2.089 11.777 6.080 1.00 1.00 C ATOM 789 CG ARG A 48 2.851 11.489 4.778 1.00 1.00 C ATOM 790 CD ARG A 48 2.696 12.670 3.813 1.00 1.00 C ATOM 791 NE ARG A 48 3.222 13.917 4.449 1.00 1.00 N ATOM 792 CZ ARG A 48 3.595 14.930 3.708 1.00 1.00 C ATOM 793 NH1 ARG A 48 2.850 15.327 2.708 1.00 1.00 N ATOM 794 NH2 ARG A 48 4.715 15.552 3.976 1.00 1.00 N ATOM 0 H ARG A 48 2.223 9.194 5.414 1.00 1.00 H new ATOM 0 HA ARG A 48 0.638 10.834 7.346 1.00 1.00 H new ATOM 0 HB2 ARG A 48 1.608 12.753 6.018 1.00 1.00 H new ATOM 0 HB3 ARG A 48 2.788 11.819 6.915 1.00 1.00 H new ATOM 0 HG2 ARG A 48 3.906 11.320 4.993 1.00 1.00 H new ATOM 0 HG3 ARG A 48 2.470 10.578 4.317 1.00 1.00 H new ATOM 0 HD2 ARG A 48 3.235 12.468 2.887 1.00 1.00 H new ATOM 0 HD3 ARG A 48 1.647 12.800 3.549 1.00 1.00 H new ATOM 0 HE ARG A 48 3.291 13.979 5.465 1.00 1.00 H new ATOM 0 HH11 ARG A 48 1.974 14.847 2.503 1.00 1.00 H new ATOM 0 HH12 ARG A 48 3.145 16.117 2.134 1.00 1.00 H new ATOM 0 HH21 ARG A 48 5.293 15.247 4.759 1.00 1.00 H new ATOM 0 HH22 ARG A 48 5.010 16.342 3.402 1.00 1.00 H new ATOM 1056 N ASP A 63 -7.821 -0.135 7.436 1.00 1.00 N ATOM 1057 CA ASP A 63 -7.950 0.258 5.994 1.00 1.00 C ATOM 1058 C ASP A 63 -6.681 -0.167 5.247 1.00 1.00 C ATOM 1059 O ASP A 63 -5.648 -0.386 5.858 1.00 1.00 O ATOM 1060 CB ASP A 63 -8.121 1.777 5.882 1.00 1.00 C ATOM 1061 CG ASP A 63 -9.312 2.237 6.733 1.00 1.00 C ATOM 1062 OD1 ASP A 63 -10.427 2.175 6.239 1.00 1.00 O ATOM 1063 OD2 ASP A 63 -9.089 2.646 7.861 1.00 1.00 O ATOM 0 HA ASP A 63 -8.821 -0.232 5.559 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -7.212 2.279 6.213 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -8.278 2.057 4.840 1.00 1.00 H new ATOM 1068 N VAL A 64 -6.728 -0.277 3.937 1.00 1.00 N ATOM 1069 CA VAL A 64 -5.494 -0.676 3.187 1.00 1.00 C ATOM 1070 C VAL A 64 -4.986 0.536 2.408 1.00 1.00 C ATOM 1071 O VAL A 64 -5.766 1.300 1.864 1.00 1.00 O ATOM 1072 CB VAL A 64 -5.795 -1.825 2.224 1.00 1.00 C ATOM 1073 CG1 VAL A 64 -4.484 -2.476 1.776 1.00 1.00 C ATOM 1074 CG2 VAL A 64 -6.668 -2.873 2.922 1.00 1.00 C ATOM 0 H VAL A 64 -7.555 -0.110 3.364 1.00 1.00 H new ATOM 0 HA VAL A 64 -4.735 -1.016 3.892 1.00 1.00 H new ATOM 0 HB VAL A 64 -6.325 -1.433 1.356 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -4.700 -3.295 1.090 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -3.863 -1.735 1.273 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -3.954 -2.863 2.646 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -6.879 -3.689 2.231 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -6.142 -3.262 3.794 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -7.605 -2.414 3.238 1.00 1.00 H new ATOM 1084 N VAL A 65 -3.691 0.738 2.374 1.00 1.00 N ATOM 1085 CA VAL A 65 -3.152 1.927 1.653 1.00 1.00 C ATOM 1086 C VAL A 65 -1.870 1.593 0.876 1.00 1.00 C ATOM 1087 O VAL A 65 -1.090 0.731 1.254 1.00 1.00 O ATOM 1088 CB VAL A 65 -2.837 3.037 2.674 1.00 1.00 C ATOM 1089 CG1 VAL A 65 -4.115 3.460 3.405 1.00 1.00 C ATOM 1090 CG2 VAL A 65 -1.815 2.529 3.700 1.00 1.00 C ATOM 0 H VAL A 65 -2.992 0.136 2.810 1.00 1.00 H new ATOM 0 HA VAL A 65 -3.908 2.255 0.939 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.425 3.894 2.140 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -3.880 4.245 4.124 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -4.840 3.835 2.683 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -4.535 2.602 3.929 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -1.597 3.319 4.419 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -2.224 1.665 4.224 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -0.897 2.242 3.187 1.00 1.00 H new ATOM 1100 N ILE A 66 -1.632 2.338 -0.179 1.00 1.00 N ATOM 1101 CA ILE A 66 -0.375 2.161 -0.982 1.00 1.00 C ATOM 1102 C ILE A 66 0.569 3.267 -0.512 1.00 1.00 C ATOM 1103 O ILE A 66 0.117 4.363 -0.225 1.00 1.00 O ATOM 1104 CB ILE A 66 -0.662 2.301 -2.488 1.00 1.00 C ATOM 1105 CG1 ILE A 66 -1.480 3.573 -2.753 1.00 1.00 C ATOM 1106 CG2 ILE A 66 -1.448 1.078 -2.973 1.00 1.00 C ATOM 1107 CD1 ILE A 66 -1.355 3.972 -4.225 1.00 1.00 C ATOM 0 H ILE A 66 -2.258 3.067 -0.522 1.00 1.00 H new ATOM 0 HA ILE A 66 0.056 1.170 -0.837 1.00 1.00 H new ATOM 0 HB ILE A 66 0.283 2.368 -3.026 1.00 1.00 H new ATOM 0 HG12 ILE A 66 -2.527 3.403 -2.500 1.00 1.00 H new ATOM 0 HG13 ILE A 66 -1.126 4.383 -2.116 1.00 1.00 H new ATOM 0 HG21 ILE A 66 -1.652 1.176 -4.039 1.00 1.00 H new ATOM 0 HG22 ILE A 66 -0.862 0.176 -2.797 1.00 1.00 H new ATOM 0 HG23 ILE A 66 -2.390 1.011 -2.428 1.00 1.00 H new ATOM 0 HD11 ILE A 66 -1.937 4.875 -4.408 1.00 1.00 H new ATOM 0 HD12 ILE A 66 -0.308 4.161 -4.463 1.00 1.00 H new ATOM 0 HD13 ILE A 66 -1.730 3.165 -4.854 1.00 1.00 H new ATOM 1119 N VAL A 67 1.850 3.011 -0.347 1.00 1.00 N ATOM 1120 CA VAL A 67 2.705 4.110 0.206 1.00 1.00 C ATOM 1121 C VAL A 67 4.081 4.231 -0.456 1.00 1.00 C ATOM 1122 O VAL A 67 4.632 3.288 -1.007 1.00 1.00 O ATOM 1123 CB VAL A 67 2.905 3.870 1.717 1.00 1.00 C ATOM 1124 CG1 VAL A 67 1.747 3.036 2.282 1.00 1.00 C ATOM 1125 CG2 VAL A 67 4.216 3.113 1.959 1.00 1.00 C ATOM 0 H VAL A 67 2.321 2.132 -0.560 1.00 1.00 H new ATOM 0 HA VAL A 67 2.179 5.042 0.001 1.00 1.00 H new ATOM 0 HB VAL A 67 2.937 4.839 2.215 1.00 1.00 H new ATOM 0 HG11 VAL A 67 1.902 2.875 3.349 1.00 1.00 H new ATOM 0 HG12 VAL A 67 0.807 3.566 2.128 1.00 1.00 H new ATOM 0 HG13 VAL A 67 1.709 2.074 1.771 1.00 1.00 H new ATOM 0 HG21 VAL A 67 4.349 2.948 3.028 1.00 1.00 H new ATOM 0 HG22 VAL A 67 4.182 2.152 1.445 1.00 1.00 H new ATOM 0 HG23 VAL A 67 5.051 3.700 1.576 1.00 1.00 H new ATOM 1135 N LYS A 68 4.652 5.409 -0.314 1.00 1.00 N ATOM 1136 CA LYS A 68 6.017 5.684 -0.823 1.00 1.00 C ATOM 1137 C LYS A 68 6.977 5.604 0.367 1.00 1.00 C ATOM 1138 O LYS A 68 6.549 5.781 1.494 1.00 1.00 O ATOM 1139 CB LYS A 68 6.079 7.062 -1.476 1.00 1.00 C ATOM 1140 CG LYS A 68 6.435 6.923 -2.957 1.00 1.00 C ATOM 1141 CD LYS A 68 6.936 8.269 -3.488 1.00 1.00 C ATOM 1142 CE LYS A 68 8.361 8.114 -4.022 1.00 1.00 C ATOM 1143 NZ LYS A 68 8.872 9.440 -4.474 1.00 1.00 N ATOM 0 H LYS A 68 4.208 6.203 0.147 1.00 1.00 H new ATOM 0 HA LYS A 68 6.295 4.954 -1.583 1.00 1.00 H new ATOM 0 HB2 LYS A 68 5.119 7.567 -1.370 1.00 1.00 H new ATOM 0 HB3 LYS A 68 6.822 7.680 -0.971 1.00 1.00 H new ATOM 0 HG2 LYS A 68 7.202 6.160 -3.088 1.00 1.00 H new ATOM 0 HG3 LYS A 68 5.562 6.598 -3.523 1.00 1.00 H new ATOM 0 HD2 LYS A 68 6.277 8.627 -4.280 1.00 1.00 H new ATOM 0 HD3 LYS A 68 6.914 9.015 -2.694 1.00 1.00 H new ATOM 0 HE2 LYS A 68 9.009 7.709 -3.245 1.00 1.00 H new ATOM 0 HE3 LYS A 68 8.375 7.406 -4.850 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 9.841 9.333 -4.837 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 8.259 9.810 -5.228 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 8.873 10.103 -3.673 1.00 1.00 H new ATOM 1157 N PRO A 69 8.236 5.309 0.092 1.00 1.00 N ATOM 1158 CA PRO A 69 9.263 5.140 1.141 1.00 1.00 C ATOM 1159 C PRO A 69 9.967 6.456 1.492 1.00 1.00 C ATOM 1160 O PRO A 69 10.240 7.292 0.649 1.00 1.00 O ATOM 1161 CB PRO A 69 10.274 4.206 0.476 1.00 1.00 C ATOM 1162 CG PRO A 69 10.105 4.391 -1.054 1.00 1.00 C ATOM 1163 CD PRO A 69 8.741 5.077 -1.276 1.00 1.00 C ATOM 0 HA PRO A 69 8.831 4.773 2.072 1.00 1.00 H new ATOM 0 HB2 PRO A 69 11.290 4.450 0.786 1.00 1.00 H new ATOM 0 HB3 PRO A 69 10.093 3.170 0.764 1.00 1.00 H new ATOM 0 HG2 PRO A 69 10.913 4.999 -1.461 1.00 1.00 H new ATOM 0 HG3 PRO A 69 10.141 3.429 -1.565 1.00 1.00 H new ATOM 0 HD2 PRO A 69 8.848 6.012 -1.827 1.00 1.00 H new ATOM 0 HD3 PRO A 69 8.064 4.445 -1.850 1.00 1.00 H new ATOM 1171 N TRP A 70 10.243 6.617 2.764 1.00 1.00 N ATOM 1172 CA TRP A 70 10.914 7.842 3.291 1.00 1.00 C ATOM 1173 C TRP A 70 12.202 7.386 3.981 1.00 1.00 C ATOM 1174 O TRP A 70 12.106 6.661 4.972 1.00 1.00 O ATOM 1175 CB TRP A 70 10.096 8.495 4.398 1.00 1.00 C ATOM 1176 CG TRP A 70 8.941 9.128 3.839 1.00 1.00 C ATOM 1177 CD1 TRP A 70 8.234 8.626 2.837 1.00 1.00 C ATOM 1178 CD2 TRP A 70 8.313 10.357 4.240 1.00 1.00 C ATOM 1179 NE1 TRP A 70 7.218 9.446 2.587 1.00 1.00 N ATOM 1180 CE2 TRP A 70 7.208 10.544 3.416 1.00 1.00 C ATOM 1181 CE3 TRP A 70 8.593 11.318 5.226 1.00 1.00 C ATOM 1182 CZ2 TRP A 70 6.390 11.637 3.546 1.00 1.00 C ATOM 1183 CZ3 TRP A 70 7.765 12.440 5.367 1.00 1.00 C ATOM 1184 CH2 TRP A 70 6.660 12.598 4.524 1.00 1.00 C ATOM 0 H TRP A 70 10.022 5.925 3.480 1.00 1.00 H new ATOM 0 HA TRP A 70 11.060 8.535 2.463 1.00 1.00 H new ATOM 0 HB2 TRP A 70 9.793 7.745 5.129 1.00 1.00 H new ATOM 0 HB3 TRP A 70 10.704 9.229 4.927 1.00 1.00 H new ATOM 0 HD1 TRP A 70 8.447 7.706 2.312 1.00 1.00 H new ATOM 0 HE1 TRP A 70 6.522 9.279 1.860 1.00 1.00 H new ATOM 0 HE3 TRP A 70 9.447 11.192 5.876 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 5.538 11.755 2.893 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 7.979 13.180 6.124 1.00 1.00 H new ATOM 0 HH2 TRP A 70 6.018 13.460 4.629 1.00 1.00 H new ATOM 1262 N GLN A 76 10.933 3.685 8.744 1.00 1.00 N ATOM 1263 CA GLN A 76 10.567 4.324 7.451 1.00 1.00 C ATOM 1264 C GLN A 76 9.315 5.195 7.593 1.00 1.00 C ATOM 1265 O GLN A 76 8.419 4.912 8.367 1.00 1.00 O ATOM 1266 CB GLN A 76 10.316 3.233 6.404 1.00 1.00 C ATOM 1267 CG GLN A 76 10.037 3.879 5.041 1.00 1.00 C ATOM 1268 CD GLN A 76 10.806 3.140 3.942 1.00 1.00 C ATOM 1269 OE1 GLN A 76 10.145 2.513 3.009 1.00 1.00 O flip ATOM 1270 NE2 GLN A 76 12.021 3.136 3.930 1.00 1.00 N flip ATOM 0 HA GLN A 76 11.391 4.966 7.139 1.00 1.00 H new ATOM 0 HB2 GLN A 76 11.183 2.575 6.335 1.00 1.00 H new ATOM 0 HB3 GLN A 76 9.470 2.615 6.704 1.00 1.00 H new ATOM 0 HG2 GLN A 76 8.968 3.852 4.829 1.00 1.00 H new ATOM 0 HG3 GLN A 76 10.332 4.928 5.060 1.00 1.00 H new ATOM 0 HE21 GLN A 76 12.540 3.626 4.659 1.00 1.00 H new ATOM 0 HE22 GLN A 76 12.522 2.643 3.191 1.00 1.00 H new ATOM 1279 N LYS A 77 9.242 6.230 6.797 1.00 1.00 N ATOM 1280 CA LYS A 77 8.027 7.110 6.791 1.00 1.00 C ATOM 1281 C LYS A 77 7.376 6.891 5.434 1.00 1.00 C ATOM 1282 O LYS A 77 8.040 6.471 4.512 1.00 1.00 O ATOM 1283 CB LYS A 77 8.419 8.580 6.989 1.00 1.00 C ATOM 1284 CG LYS A 77 8.713 8.843 8.470 1.00 1.00 C ATOM 1285 CD LYS A 77 7.414 8.762 9.279 1.00 1.00 C ATOM 1286 CE LYS A 77 7.698 9.107 10.743 1.00 1.00 C ATOM 1287 NZ LYS A 77 8.315 7.932 11.424 1.00 1.00 N ATOM 0 H LYS A 77 9.975 6.508 6.145 1.00 1.00 H new ATOM 0 HA LYS A 77 7.344 6.866 7.605 1.00 1.00 H new ATOM 0 HB2 LYS A 77 9.296 8.816 6.387 1.00 1.00 H new ATOM 0 HB3 LYS A 77 7.613 9.230 6.647 1.00 1.00 H new ATOM 0 HG2 LYS A 77 9.431 8.112 8.843 1.00 1.00 H new ATOM 0 HG3 LYS A 77 9.167 9.827 8.591 1.00 1.00 H new ATOM 0 HD2 LYS A 77 6.675 9.451 8.869 1.00 1.00 H new ATOM 0 HD3 LYS A 77 6.991 7.760 9.207 1.00 1.00 H new ATOM 0 HE2 LYS A 77 8.366 9.966 10.802 1.00 1.00 H new ATOM 0 HE3 LYS A 77 6.773 9.388 11.247 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 8.170 8.010 12.451 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 7.872 7.057 11.077 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 9.334 7.908 11.220 1.00 1.00 H new ATOM 1301 N CYS A 78 6.111 7.094 5.273 1.00 1.00 N ATOM 1302 CA CYS A 78 5.534 6.821 3.926 1.00 1.00 C ATOM 1303 C CYS A 78 4.436 7.801 3.581 1.00 1.00 C ATOM 1304 O CYS A 78 3.761 8.316 4.456 1.00 1.00 O ATOM 1305 CB CYS A 78 4.964 5.406 3.901 1.00 1.00 C ATOM 1306 SG CYS A 78 3.402 5.366 4.814 1.00 1.00 S ATOM 0 H CYS A 78 5.461 7.427 5.985 1.00 1.00 H new ATOM 0 HA CYS A 78 6.330 6.928 3.190 1.00 1.00 H new ATOM 0 HB2 CYS A 78 4.804 5.086 2.872 1.00 1.00 H new ATOM 0 HB3 CYS A 78 5.675 4.709 4.345 1.00 1.00 H new ATOM 0 HG CYS A 78 3.646 5.260 6.087 1.00 1.00 H new ATOM 1312 N ASP A 79 4.181 7.994 2.309 1.00 1.00 N ATOM 1313 CA ASP A 79 3.014 8.881 1.962 1.00 1.00 C ATOM 1314 C ASP A 79 1.935 7.920 1.473 1.00 1.00 C ATOM 1315 O ASP A 79 2.169 7.146 0.560 1.00 1.00 O ATOM 1316 CB ASP A 79 3.351 9.953 0.908 1.00 1.00 C ATOM 1317 CG ASP A 79 4.243 9.394 -0.195 1.00 1.00 C ATOM 1318 OD1 ASP A 79 5.448 9.385 -0.004 1.00 1.00 O ATOM 1319 OD2 ASP A 79 3.704 9.013 -1.222 1.00 1.00 O ATOM 0 H ASP A 79 4.700 7.599 1.525 1.00 1.00 H new ATOM 0 HA ASP A 79 2.695 9.464 2.826 1.00 1.00 H new ATOM 0 HB2 ASP A 79 2.429 10.337 0.472 1.00 1.00 H new ATOM 0 HB3 ASP A 79 3.850 10.794 1.390 1.00 1.00 H new ATOM 1324 N ILE A 80 0.800 7.873 2.128 1.00 1.00 N ATOM 1325 CA ILE A 80 -0.214 6.838 1.736 1.00 1.00 C ATOM 1326 C ILE A 80 -1.428 7.360 0.988 1.00 1.00 C ATOM 1327 O ILE A 80 -1.814 8.513 1.052 1.00 1.00 O ATOM 1328 CB ILE A 80 -0.746 6.092 2.966 1.00 1.00 C ATOM 1329 CG1 ILE A 80 -1.393 7.083 3.958 1.00 1.00 C ATOM 1330 CG2 ILE A 80 0.377 5.297 3.617 1.00 1.00 C ATOM 1331 CD1 ILE A 80 -0.420 7.466 5.074 1.00 1.00 C ATOM 0 H ILE A 80 0.534 8.488 2.897 1.00 1.00 H new ATOM 0 HA ILE A 80 0.344 6.190 1.060 1.00 1.00 H new ATOM 0 HB ILE A 80 -1.519 5.389 2.655 1.00 1.00 H new ATOM 0 HG12 ILE A 80 -1.710 7.980 3.425 1.00 1.00 H new ATOM 0 HG13 ILE A 80 -2.288 6.636 4.390 1.00 1.00 H new ATOM 0 HG21 ILE A 80 -0.009 4.770 4.490 1.00 1.00 H new ATOM 0 HG22 ILE A 80 0.773 4.575 2.903 1.00 1.00 H new ATOM 0 HG23 ILE A 80 1.172 5.976 3.925 1.00 1.00 H new ATOM 0 HD11 ILE A 80 -0.905 8.165 5.756 1.00 1.00 H new ATOM 0 HD12 ILE A 80 -0.124 6.571 5.621 1.00 1.00 H new ATOM 0 HD13 ILE A 80 0.463 7.936 4.641 1.00 1.00 H new ATOM 1343 N ILE A 81 -2.063 6.414 0.354 1.00 1.00 N ATOM 1344 CA ILE A 81 -3.332 6.635 -0.371 1.00 1.00 C ATOM 1345 C ILE A 81 -4.319 5.690 0.324 1.00 1.00 C ATOM 1346 O ILE A 81 -4.044 4.503 0.458 1.00 1.00 O ATOM 1347 CB ILE A 81 -3.151 6.282 -1.859 1.00 1.00 C ATOM 1348 CG1 ILE A 81 -3.155 7.570 -2.688 1.00 1.00 C ATOM 1349 CG2 ILE A 81 -4.281 5.366 -2.339 1.00 1.00 C ATOM 1350 CD1 ILE A 81 -1.719 8.071 -2.868 1.00 1.00 C ATOM 0 H ILE A 81 -1.730 5.451 0.312 1.00 1.00 H new ATOM 0 HA ILE A 81 -3.677 7.669 -0.348 1.00 1.00 H new ATOM 0 HB ILE A 81 -2.202 5.760 -1.983 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -3.611 7.387 -3.661 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -3.757 8.332 -2.192 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -4.134 5.129 -3.393 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -4.276 4.445 -1.755 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -5.238 5.871 -2.211 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -1.725 8.987 -3.458 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -1.278 8.271 -1.891 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -1.131 7.312 -3.383 1.00 1.00 H new ATOM 1362 N TRP A 82 -5.415 6.205 0.830 1.00 1.00 N ATOM 1363 CA TRP A 82 -6.361 5.337 1.596 1.00 1.00 C ATOM 1364 C TRP A 82 -7.508 4.828 0.718 1.00 1.00 C ATOM 1365 O TRP A 82 -8.082 5.552 -0.077 1.00 1.00 O ATOM 1366 CB TRP A 82 -6.916 6.145 2.783 1.00 1.00 C ATOM 1367 CG TRP A 82 -8.264 5.631 3.183 1.00 1.00 C ATOM 1368 CD1 TRP A 82 -8.490 4.504 3.893 1.00 1.00 C ATOM 1369 CD2 TRP A 82 -9.569 6.205 2.895 1.00 1.00 C ATOM 1370 NE1 TRP A 82 -9.856 4.349 4.061 1.00 1.00 N ATOM 1371 CE2 TRP A 82 -10.562 5.375 3.464 1.00 1.00 C ATOM 1372 CE3 TRP A 82 -9.982 7.356 2.204 1.00 1.00 C ATOM 1373 CZ2 TRP A 82 -11.918 5.676 3.348 1.00 1.00 C ATOM 1374 CZ3 TRP A 82 -11.346 7.663 2.086 1.00 1.00 C ATOM 1375 CH2 TRP A 82 -12.312 6.825 2.658 1.00 1.00 C ATOM 0 H TRP A 82 -5.693 7.183 0.746 1.00 1.00 H new ATOM 0 HA TRP A 82 -5.820 4.460 1.953 1.00 1.00 H new ATOM 0 HB2 TRP A 82 -6.230 6.079 3.628 1.00 1.00 H new ATOM 0 HB3 TRP A 82 -6.988 7.198 2.512 1.00 1.00 H new ATOM 0 HD1 TRP A 82 -7.730 3.834 4.268 1.00 1.00 H new ATOM 0 HE1 TRP A 82 -10.287 3.573 4.563 1.00 1.00 H new ATOM 0 HE3 TRP A 82 -9.245 8.009 1.761 1.00 1.00 H new ATOM 0 HZ2 TRP A 82 -12.659 5.025 3.789 1.00 1.00 H new ATOM 0 HZ3 TRP A 82 -11.653 8.550 1.551 1.00 1.00 H new ATOM 0 HH2 TRP A 82 -13.360 7.067 2.566 1.00 1.00 H new ATOM 1386 N ARG A 83 -7.835 3.566 0.894 1.00 1.00 N ATOM 1387 CA ARG A 83 -8.942 2.923 0.125 1.00 1.00 C ATOM 1388 C ARG A 83 -9.006 1.426 0.486 1.00 1.00 C ATOM 1389 O ARG A 83 -8.386 0.974 1.440 1.00 1.00 O ATOM 1390 CB ARG A 83 -8.680 3.075 -1.382 1.00 1.00 C ATOM 1391 CG ARG A 83 -9.912 3.688 -2.054 1.00 1.00 C ATOM 1392 CD ARG A 83 -9.470 4.739 -3.076 1.00 1.00 C ATOM 1393 NE ARG A 83 -10.317 5.958 -2.937 1.00 1.00 N ATOM 1394 CZ ARG A 83 -11.484 6.016 -3.521 1.00 1.00 C ATOM 1395 NH1 ARG A 83 -11.565 6.317 -4.792 1.00 1.00 N ATOM 1396 NH2 ARG A 83 -12.571 5.774 -2.834 1.00 1.00 N ATOM 0 H ARG A 83 -7.367 2.945 1.555 1.00 1.00 H new ATOM 0 HA ARG A 83 -9.888 3.403 0.376 1.00 1.00 H new ATOM 0 HB2 ARG A 83 -7.809 3.708 -1.549 1.00 1.00 H new ATOM 0 HB3 ARG A 83 -8.457 2.104 -1.823 1.00 1.00 H new ATOM 0 HG2 ARG A 83 -10.495 2.910 -2.547 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -10.558 4.144 -1.304 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -8.421 4.993 -2.921 1.00 1.00 H new ATOM 0 HD3 ARG A 83 -9.555 4.338 -4.086 1.00 1.00 H new ATOM 0 HE ARG A 83 -9.985 6.748 -2.385 1.00 1.00 H new ATOM 0 HH11 ARG A 83 -10.717 6.506 -5.326 1.00 1.00 H new ATOM 0 HH12 ARG A 83 -12.476 6.362 -5.248 1.00 1.00 H new ATOM 0 HH21 ARG A 83 -12.507 5.540 -1.843 1.00 1.00 H new ATOM 0 HH22 ARG A 83 -13.483 5.819 -3.289 1.00 1.00 H new ATOM 1498 N VAL A 89 -4.135 -5.978 0.509 1.00 1.00 N ATOM 1499 CA VAL A 89 -2.656 -6.200 0.628 1.00 1.00 C ATOM 1500 C VAL A 89 -2.288 -7.577 0.048 1.00 1.00 C ATOM 1501 O VAL A 89 -1.237 -7.739 -0.546 1.00 1.00 O ATOM 1502 CB VAL A 89 -2.253 -6.113 2.111 1.00 1.00 C ATOM 1503 CG1 VAL A 89 -0.949 -6.878 2.362 1.00 1.00 C ATOM 1504 CG2 VAL A 89 -2.055 -4.643 2.490 1.00 1.00 C ATOM 0 HA VAL A 89 -2.119 -5.436 0.066 1.00 1.00 H new ATOM 0 HB VAL A 89 -3.042 -6.557 2.718 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -0.681 -6.804 3.416 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -1.085 -7.926 2.094 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -0.152 -6.449 1.754 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -1.769 -4.573 3.540 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -1.270 -4.210 1.871 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -2.985 -4.098 2.330 1.00 1.00 H new ATOM 1514 N GLU A 90 -3.148 -8.562 0.206 1.00 1.00 N ATOM 1515 CA GLU A 90 -2.858 -9.926 -0.345 1.00 1.00 C ATOM 1516 C GLU A 90 -2.602 -9.825 -1.857 1.00 1.00 C ATOM 1517 O GLU A 90 -1.671 -10.416 -2.374 1.00 1.00 O ATOM 1518 CB GLU A 90 -4.054 -10.849 -0.087 1.00 1.00 C ATOM 1519 CG GLU A 90 -3.578 -12.305 -0.031 1.00 1.00 C ATOM 1520 CD GLU A 90 -3.727 -12.843 1.396 1.00 1.00 C ATOM 1521 OE1 GLU A 90 -4.804 -13.316 1.722 1.00 1.00 O ATOM 1522 OE2 GLU A 90 -2.761 -12.774 2.139 1.00 1.00 O ATOM 0 H GLU A 90 -4.039 -8.477 0.694 1.00 1.00 H new ATOM 0 HA GLU A 90 -1.974 -10.334 0.145 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -4.539 -10.578 0.851 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -4.796 -10.729 -0.876 1.00 1.00 H new ATOM 0 HG2 GLU A 90 -4.160 -12.915 -0.722 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -2.537 -12.370 -0.347 1.00 1.00 H new ATOM 1529 N TRP A 91 -3.419 -9.069 -2.560 1.00 1.00 N ATOM 1530 CA TRP A 91 -3.230 -8.907 -4.037 1.00 1.00 C ATOM 1531 C TRP A 91 -1.898 -8.180 -4.296 1.00 1.00 C ATOM 1532 O TRP A 91 -1.126 -8.581 -5.148 1.00 1.00 O ATOM 1533 CB TRP A 91 -4.419 -8.110 -4.615 1.00 1.00 C ATOM 1534 CG TRP A 91 -3.972 -7.199 -5.719 1.00 1.00 C ATOM 1535 CD1 TRP A 91 -3.560 -7.600 -6.945 1.00 1.00 C ATOM 1536 CD2 TRP A 91 -3.886 -5.746 -5.714 1.00 1.00 C ATOM 1537 NE1 TRP A 91 -3.224 -6.483 -7.690 1.00 1.00 N ATOM 1538 CE2 TRP A 91 -3.409 -5.316 -6.974 1.00 1.00 C ATOM 1539 CE3 TRP A 91 -4.174 -4.768 -4.745 1.00 1.00 C ATOM 1540 CZ2 TRP A 91 -3.224 -3.963 -7.263 1.00 1.00 C ATOM 1541 CZ3 TRP A 91 -3.988 -3.406 -5.032 1.00 1.00 C ATOM 1542 CH2 TRP A 91 -3.514 -3.005 -6.289 1.00 1.00 C ATOM 0 H TRP A 91 -4.210 -8.557 -2.170 1.00 1.00 H new ATOM 0 HA TRP A 91 -3.196 -9.880 -4.527 1.00 1.00 H new ATOM 0 HB2 TRP A 91 -5.174 -8.800 -4.992 1.00 1.00 H new ATOM 0 HB3 TRP A 91 -4.888 -7.525 -3.824 1.00 1.00 H new ATOM 0 HD1 TRP A 91 -3.503 -8.623 -7.286 1.00 1.00 H new ATOM 0 HE1 TRP A 91 -2.882 -6.517 -8.650 1.00 1.00 H new ATOM 0 HE3 TRP A 91 -4.541 -5.066 -3.774 1.00 1.00 H new ATOM 0 HZ2 TRP A 91 -2.859 -3.659 -8.233 1.00 1.00 H new ATOM 0 HZ3 TRP A 91 -4.211 -2.663 -4.280 1.00 1.00 H new ATOM 0 HH2 TRP A 91 -3.373 -1.956 -6.504 1.00 1.00 H new ATOM 1553 N LEU A 92 -1.624 -7.123 -3.558 1.00 1.00 N ATOM 1554 CA LEU A 92 -0.338 -6.374 -3.746 1.00 1.00 C ATOM 1555 C LEU A 92 0.841 -7.335 -3.540 1.00 1.00 C ATOM 1556 O LEU A 92 1.815 -7.304 -4.274 1.00 1.00 O ATOM 1557 CB LEU A 92 -0.250 -5.233 -2.725 1.00 1.00 C ATOM 1558 CG LEU A 92 -1.185 -4.092 -3.135 1.00 1.00 C ATOM 1559 CD1 LEU A 92 -1.944 -3.584 -1.906 1.00 1.00 C ATOM 1560 CD2 LEU A 92 -0.361 -2.949 -3.733 1.00 1.00 C ATOM 0 H LEU A 92 -2.238 -6.749 -2.834 1.00 1.00 H new ATOM 0 HA LEU A 92 -0.303 -5.959 -4.753 1.00 1.00 H new ATOM 0 HB2 LEU A 92 -0.521 -5.598 -1.734 1.00 1.00 H new ATOM 0 HB3 LEU A 92 0.775 -4.869 -2.661 1.00 1.00 H new ATOM 0 HG LEU A 92 -1.897 -4.455 -3.876 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -2.609 -2.772 -2.199 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -2.531 -4.397 -1.479 1.00 1.00 H new ATOM 0 HD13 LEU A 92 -1.233 -3.221 -1.164 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -1.025 -2.136 -4.025 1.00 1.00 H new ATOM 0 HD22 LEU A 92 0.351 -2.587 -2.991 1.00 1.00 H new ATOM 0 HD23 LEU A 92 0.179 -3.309 -4.609 1.00 1.00 H new ATOM 1572 N LYS A 93 0.745 -8.199 -2.552 1.00 1.00 N ATOM 1573 CA LYS A 93 1.836 -9.187 -2.284 1.00 1.00 C ATOM 1574 C LYS A 93 2.056 -10.051 -3.532 1.00 1.00 C ATOM 1575 O LYS A 93 3.171 -10.206 -3.999 1.00 1.00 O ATOM 1576 CB LYS A 93 1.426 -10.087 -1.113 1.00 1.00 C ATOM 1577 CG LYS A 93 2.177 -9.667 0.151 1.00 1.00 C ATOM 1578 CD LYS A 93 1.629 -10.444 1.350 1.00 1.00 C ATOM 1579 CE LYS A 93 0.377 -9.743 1.884 1.00 1.00 C ATOM 1580 NZ LYS A 93 -0.564 -10.754 2.444 1.00 1.00 N ATOM 0 H LYS A 93 -0.051 -8.259 -1.917 1.00 1.00 H new ATOM 0 HA LYS A 93 2.757 -8.658 -2.037 1.00 1.00 H new ATOM 0 HB2 LYS A 93 0.351 -10.018 -0.948 1.00 1.00 H new ATOM 0 HB3 LYS A 93 1.646 -11.128 -1.348 1.00 1.00 H new ATOM 0 HG2 LYS A 93 3.243 -9.861 0.035 1.00 1.00 H new ATOM 0 HG3 LYS A 93 2.064 -8.595 0.315 1.00 1.00 H new ATOM 0 HD2 LYS A 93 1.389 -11.466 1.056 1.00 1.00 H new ATOM 0 HD3 LYS A 93 2.385 -10.507 2.133 1.00 1.00 H new ATOM 0 HE2 LYS A 93 0.652 -9.022 2.654 1.00 1.00 H new ATOM 0 HE3 LYS A 93 -0.108 -9.184 1.084 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 -1.382 -10.270 2.867 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 -0.889 -11.384 1.683 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 -0.078 -11.314 3.173 1.00 1.00 H new ATOM 1594 N ARG A 94 0.991 -10.600 -4.075 1.00 1.00 N ATOM 1595 CA ARG A 94 1.107 -11.448 -5.303 1.00 1.00 C ATOM 1596 C ARG A 94 1.786 -10.645 -6.419 1.00 1.00 C ATOM 1597 O ARG A 94 2.555 -11.182 -7.195 1.00 1.00 O ATOM 1598 CB ARG A 94 -0.289 -11.877 -5.762 1.00 1.00 C ATOM 1599 CG ARG A 94 -0.194 -13.208 -6.514 1.00 1.00 C ATOM 1600 CD ARG A 94 -1.217 -14.192 -5.944 1.00 1.00 C ATOM 1601 NE ARG A 94 -2.560 -13.908 -6.527 1.00 1.00 N ATOM 1602 CZ ARG A 94 -3.227 -14.859 -7.123 1.00 1.00 C ATOM 1603 NH1 ARG A 94 -4.045 -15.613 -6.435 1.00 1.00 N ATOM 1604 NH2 ARG A 94 -3.077 -15.058 -8.408 1.00 1.00 N ATOM 0 H ARG A 94 0.042 -10.495 -3.716 1.00 1.00 H new ATOM 0 HA ARG A 94 1.703 -12.332 -5.077 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -0.950 -11.980 -4.902 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -0.722 -11.113 -6.407 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -0.378 -13.051 -7.577 1.00 1.00 H new ATOM 0 HG3 ARG A 94 0.811 -13.619 -6.422 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -0.919 -15.215 -6.172 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -1.255 -14.105 -4.858 1.00 1.00 H new ATOM 0 HE ARG A 94 -2.957 -12.971 -6.460 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -4.161 -15.458 -5.434 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -4.566 -16.356 -6.900 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -2.439 -14.470 -8.944 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -3.598 -15.801 -8.873 1.00 1.00 H new ATOM 1618 N LYS A 95 1.508 -9.363 -6.492 1.00 1.00 N ATOM 1619 CA LYS A 95 2.134 -8.505 -7.542 1.00 1.00 C ATOM 1620 C LYS A 95 3.657 -8.484 -7.358 1.00 1.00 C ATOM 1621 O LYS A 95 4.397 -8.448 -8.324 1.00 1.00 O ATOM 1622 CB LYS A 95 1.585 -7.078 -7.433 1.00 1.00 C ATOM 1623 CG LYS A 95 1.824 -6.332 -8.749 1.00 1.00 C ATOM 1624 CD LYS A 95 0.624 -6.534 -9.679 1.00 1.00 C ATOM 1625 CE LYS A 95 0.970 -6.024 -11.080 1.00 1.00 C ATOM 1626 NZ LYS A 95 0.310 -6.885 -12.102 1.00 1.00 N ATOM 0 H LYS A 95 0.870 -8.875 -5.864 1.00 1.00 H new ATOM 0 HA LYS A 95 1.897 -8.912 -8.525 1.00 1.00 H new ATOM 0 HB2 LYS A 95 0.519 -7.104 -7.207 1.00 1.00 H new ATOM 0 HB3 LYS A 95 2.072 -6.552 -6.612 1.00 1.00 H new ATOM 0 HG2 LYS A 95 1.972 -5.270 -8.555 1.00 1.00 H new ATOM 0 HG3 LYS A 95 2.733 -6.698 -9.227 1.00 1.00 H new ATOM 0 HD2 LYS A 95 0.357 -7.590 -9.721 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -0.244 -6.001 -9.291 1.00 1.00 H new ATOM 0 HE2 LYS A 95 0.642 -4.991 -11.193 1.00 1.00 H new ATOM 0 HE3 LYS A 95 2.050 -6.033 -11.225 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 0.546 -6.537 -13.053 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 0.644 -7.865 -11.999 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -0.721 -6.855 -11.968 1.00 1.00 H new ATOM 1640 N GLY A 96 4.131 -8.514 -6.128 1.00 1.00 N ATOM 1641 CA GLY A 96 5.607 -8.505 -5.888 1.00 1.00 C ATOM 1642 C GLY A 96 6.223 -9.816 -6.388 1.00 1.00 C ATOM 1643 O GLY A 96 7.309 -9.831 -6.940 1.00 1.00 O ATOM 0 H GLY A 96 3.557 -8.544 -5.286 1.00 1.00 H new ATOM 0 HA2 GLY A 96 6.063 -7.659 -6.402 1.00 1.00 H new ATOM 0 HA3 GLY A 96 5.811 -8.379 -4.825 1.00 1.00 H new ATOM 1647 N TYR A 97 5.540 -10.915 -6.171 1.00 1.00 N ATOM 1648 CA TYR A 97 6.069 -12.254 -6.597 1.00 1.00 C ATOM 1649 C TYR A 97 6.146 -12.348 -8.127 1.00 1.00 C ATOM 1650 O TYR A 97 7.185 -12.675 -8.673 1.00 1.00 O ATOM 1651 CB TYR A 97 5.167 -13.371 -6.048 1.00 1.00 C ATOM 1652 CG TYR A 97 4.759 -13.058 -4.621 1.00 1.00 C ATOM 1653 CD1 TYR A 97 5.633 -12.363 -3.769 1.00 1.00 C ATOM 1654 CD2 TYR A 97 3.500 -13.449 -4.155 1.00 1.00 C ATOM 1655 CE1 TYR A 97 5.246 -12.064 -2.460 1.00 1.00 C ATOM 1656 CE2 TYR A 97 3.113 -13.151 -2.845 1.00 1.00 C ATOM 1657 CZ TYR A 97 3.985 -12.458 -1.996 1.00 1.00 C ATOM 1658 OH TYR A 97 3.605 -12.169 -0.701 1.00 1.00 O ATOM 0 H TYR A 97 4.629 -10.943 -5.712 1.00 1.00 H new ATOM 0 HA TYR A 97 7.075 -12.372 -6.194 1.00 1.00 H new ATOM 0 HB2 TYR A 97 4.280 -13.474 -6.674 1.00 1.00 H new ATOM 0 HB3 TYR A 97 5.694 -14.325 -6.083 1.00 1.00 H new ATOM 0 HD1 TYR A 97 6.606 -12.059 -4.126 1.00 1.00 H new ATOM 0 HD2 TYR A 97 2.825 -13.982 -4.808 1.00 1.00 H new ATOM 0 HE1 TYR A 97 5.919 -11.529 -1.806 1.00 1.00 H new ATOM 0 HE2 TYR A 97 2.141 -13.456 -2.487 1.00 1.00 H new ATOM 0 HH TYR A 97 4.393 -11.912 -0.178 1.00 1.00 H new ATOM 1668 N LEU A 98 5.063 -12.071 -8.825 1.00 1.00 N ATOM 1669 CA LEU A 98 5.091 -12.153 -10.324 1.00 1.00 C ATOM 1670 C LEU A 98 6.100 -11.142 -10.884 1.00 1.00 C ATOM 1671 O LEU A 98 6.756 -11.401 -11.877 1.00 1.00 O ATOM 1672 CB LEU A 98 3.691 -11.878 -10.903 1.00 1.00 C ATOM 1673 CG LEU A 98 3.214 -10.470 -10.526 1.00 1.00 C ATOM 1674 CD1 LEU A 98 3.560 -9.487 -11.650 1.00 1.00 C ATOM 1675 CD2 LEU A 98 1.697 -10.487 -10.323 1.00 1.00 C ATOM 0 H LEU A 98 4.168 -11.794 -8.423 1.00 1.00 H new ATOM 0 HA LEU A 98 5.396 -13.159 -10.614 1.00 1.00 H new ATOM 0 HB2 LEU A 98 3.714 -11.981 -11.988 1.00 1.00 H new ATOM 0 HB3 LEU A 98 2.985 -12.619 -10.528 1.00 1.00 H new ATOM 0 HG LEU A 98 3.708 -10.157 -9.606 1.00 1.00 H new ATOM 0 HD11 LEU A 98 3.219 -8.488 -11.378 1.00 1.00 H new ATOM 0 HD12 LEU A 98 4.639 -9.473 -11.802 1.00 1.00 H new ATOM 0 HD13 LEU A 98 3.068 -9.800 -12.571 1.00 1.00 H new ATOM 0 HD21 LEU A 98 1.355 -9.488 -10.055 1.00 1.00 H new ATOM 0 HD22 LEU A 98 1.210 -10.802 -11.246 1.00 1.00 H new ATOM 0 HD23 LEU A 98 1.445 -11.184 -9.524 1.00 1.00 H new ATOM 1687 N ASP A 99 6.230 -9.996 -10.252 1.00 1.00 N ATOM 1688 CA ASP A 99 7.200 -8.963 -10.735 1.00 1.00 C ATOM 1689 C ASP A 99 8.629 -9.516 -10.660 1.00 1.00 C ATOM 1690 O ASP A 99 9.440 -9.270 -11.536 1.00 1.00 O ATOM 1691 CB ASP A 99 7.095 -7.708 -9.858 1.00 1.00 C ATOM 1692 CG ASP A 99 6.600 -6.529 -10.700 1.00 1.00 C ATOM 1693 OD1 ASP A 99 7.422 -5.910 -11.358 1.00 1.00 O ATOM 1694 OD2 ASP A 99 5.409 -6.262 -10.672 1.00 1.00 O ATOM 0 H ASP A 99 5.703 -9.733 -9.419 1.00 1.00 H new ATOM 0 HA ASP A 99 6.964 -8.708 -11.768 1.00 1.00 H new ATOM 0 HB2 ASP A 99 6.410 -7.888 -9.029 1.00 1.00 H new ATOM 0 HB3 ASP A 99 8.067 -7.474 -9.423 1.00 1.00 H new ATOM 1699 N GLU A 100 8.941 -10.260 -9.619 1.00 1.00 N ATOM 1700 CA GLU A 100 10.315 -10.837 -9.474 1.00 1.00 C ATOM 1701 C GLU A 100 10.610 -11.776 -10.650 1.00 1.00 C ATOM 1702 O GLU A 100 11.608 -11.629 -11.332 1.00 1.00 O ATOM 1703 CB GLU A 100 10.409 -11.619 -8.160 1.00 1.00 C ATOM 1704 CG GLU A 100 10.471 -10.641 -6.981 1.00 1.00 C ATOM 1705 CD GLU A 100 10.251 -11.400 -5.668 1.00 1.00 C ATOM 1706 OE1 GLU A 100 9.103 -11.581 -5.295 1.00 1.00 O ATOM 1707 OE2 GLU A 100 11.234 -11.785 -5.056 1.00 1.00 O ATOM 0 H GLU A 100 8.297 -10.491 -8.862 1.00 1.00 H new ATOM 0 HA GLU A 100 11.044 -10.027 -9.467 1.00 1.00 H new ATOM 0 HB2 GLU A 100 9.546 -12.277 -8.054 1.00 1.00 H new ATOM 0 HB3 GLU A 100 11.295 -12.254 -8.166 1.00 1.00 H new ATOM 0 HG2 GLU A 100 11.438 -10.138 -6.964 1.00 1.00 H new ATOM 0 HG3 GLU A 100 9.711 -9.868 -7.097 1.00 1.00 H new