USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 454 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 39 CYS SG : rot 70:sc= -7.19! USER MOD Single : A 43 LYS NZ :NH3+ -134:sc= 0.588 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.0186) USER MOD Single : A 76 GLN : amide:sc= -1.4 K(o=-1.4,f=-3.1!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -173:sc= -7.75! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot -165:sc= -1.05 USER MOD ----------------------------------------------------------------- ATOM 351 N GLU A 21 7.642 2.349 -5.064 1.00 1.00 N ATOM 352 CA GLU A 21 6.267 2.119 -4.525 1.00 1.00 C ATOM 353 C GLU A 21 6.288 0.950 -3.530 1.00 1.00 C ATOM 354 O GLU A 21 6.663 -0.159 -3.869 1.00 1.00 O ATOM 355 CB GLU A 21 5.313 1.796 -5.681 1.00 1.00 C ATOM 356 CG GLU A 21 4.302 2.935 -5.841 1.00 1.00 C ATOM 357 CD GLU A 21 3.055 2.640 -5.002 1.00 1.00 C ATOM 358 OE1 GLU A 21 3.141 2.738 -3.787 1.00 1.00 O ATOM 359 OE2 GLU A 21 2.033 2.322 -5.589 1.00 1.00 O ATOM 0 HA GLU A 21 5.925 3.018 -4.012 1.00 1.00 H new ATOM 0 HB2 GLU A 21 5.876 1.662 -6.605 1.00 1.00 H new ATOM 0 HB3 GLU A 21 4.793 0.858 -5.486 1.00 1.00 H new ATOM 0 HG2 GLU A 21 4.749 3.878 -5.526 1.00 1.00 H new ATOM 0 HG3 GLU A 21 4.028 3.046 -6.890 1.00 1.00 H new ATOM 366 N ILE A 22 5.886 1.199 -2.305 1.00 1.00 N ATOM 367 CA ILE A 22 5.867 0.123 -1.268 1.00 1.00 C ATOM 368 C ILE A 22 4.403 -0.214 -0.950 1.00 1.00 C ATOM 369 O ILE A 22 3.513 0.563 -1.258 1.00 1.00 O ATOM 370 CB ILE A 22 6.616 0.638 -0.027 1.00 1.00 C ATOM 371 CG1 ILE A 22 8.000 -0.012 0.034 1.00 1.00 C ATOM 372 CG2 ILE A 22 5.848 0.304 1.250 1.00 1.00 C ATOM 373 CD1 ILE A 22 8.800 0.343 -1.223 1.00 1.00 C ATOM 0 H ILE A 22 5.568 2.112 -1.979 1.00 1.00 H new ATOM 0 HA ILE A 22 6.360 -0.785 -1.616 1.00 1.00 H new ATOM 0 HB ILE A 22 6.711 1.721 -0.104 1.00 1.00 H new ATOM 0 HG12 ILE A 22 8.532 0.328 0.922 1.00 1.00 H new ATOM 0 HG13 ILE A 22 7.900 -1.094 0.118 1.00 1.00 H new ATOM 0 HG21 ILE A 22 6.398 0.678 2.114 1.00 1.00 H new ATOM 0 HG22 ILE A 22 4.864 0.772 1.216 1.00 1.00 H new ATOM 0 HG23 ILE A 22 5.733 -0.777 1.334 1.00 1.00 H new ATOM 0 HD11 ILE A 22 9.784 -0.123 -1.172 1.00 1.00 H new ATOM 0 HD12 ILE A 22 8.272 -0.020 -2.105 1.00 1.00 H new ATOM 0 HD13 ILE A 22 8.914 1.425 -1.288 1.00 1.00 H new ATOM 385 N LEU A 23 4.123 -1.353 -0.345 1.00 1.00 N ATOM 386 CA LEU A 23 2.666 -1.661 -0.050 1.00 1.00 C ATOM 387 C LEU A 23 2.513 -2.024 1.419 1.00 1.00 C ATOM 388 O LEU A 23 3.217 -2.871 1.904 1.00 1.00 O ATOM 389 CB LEU A 23 2.134 -2.777 -0.990 1.00 1.00 C ATOM 390 CG LEU A 23 2.724 -4.184 -0.716 1.00 1.00 C ATOM 391 CD1 LEU A 23 4.244 -4.138 -0.562 1.00 1.00 C ATOM 392 CD2 LEU A 23 2.087 -4.798 0.537 1.00 1.00 C ATOM 0 H LEU A 23 4.801 -2.057 -0.052 1.00 1.00 H new ATOM 0 HA LEU A 23 2.060 -0.776 -0.245 1.00 1.00 H new ATOM 0 HB2 LEU A 23 1.049 -2.827 -0.896 1.00 1.00 H new ATOM 0 HB3 LEU A 23 2.352 -2.500 -2.021 1.00 1.00 H new ATOM 0 HG LEU A 23 2.493 -4.810 -1.578 1.00 1.00 H new ATOM 0 HD11 LEU A 23 4.621 -5.143 -0.371 1.00 1.00 H new ATOM 0 HD12 LEU A 23 4.691 -3.751 -1.478 1.00 1.00 H new ATOM 0 HD13 LEU A 23 4.506 -3.488 0.273 1.00 1.00 H new ATOM 0 HD21 LEU A 23 2.513 -5.786 0.715 1.00 1.00 H new ATOM 0 HD22 LEU A 23 2.285 -4.158 1.397 1.00 1.00 H new ATOM 0 HD23 LEU A 23 1.011 -4.888 0.391 1.00 1.00 H new ATOM 404 N GLY A 24 1.655 -1.373 2.169 1.00 1.00 N ATOM 405 CA GLY A 24 1.587 -1.717 3.623 1.00 1.00 C ATOM 406 C GLY A 24 0.166 -1.702 4.174 1.00 1.00 C ATOM 407 O GLY A 24 -0.736 -1.101 3.622 1.00 1.00 O ATOM 0 H GLY A 24 1.019 -0.642 1.850 1.00 1.00 H new ATOM 0 HA2 GLY A 24 2.020 -2.705 3.777 1.00 1.00 H new ATOM 0 HA3 GLY A 24 2.197 -1.011 4.186 1.00 1.00 H new ATOM 411 N ILE A 25 -0.007 -2.338 5.308 1.00 1.00 N ATOM 412 CA ILE A 25 -1.334 -2.357 5.982 1.00 1.00 C ATOM 413 C ILE A 25 -1.295 -1.277 7.067 1.00 1.00 C ATOM 414 O ILE A 25 -0.333 -1.172 7.819 1.00 1.00 O ATOM 415 CB ILE A 25 -1.602 -3.732 6.618 1.00 1.00 C ATOM 416 CG1 ILE A 25 -0.377 -4.196 7.418 1.00 1.00 C ATOM 417 CG2 ILE A 25 -1.906 -4.751 5.519 1.00 1.00 C ATOM 418 CD1 ILE A 25 -0.802 -5.250 8.443 1.00 1.00 C ATOM 0 H ILE A 25 0.727 -2.850 5.797 1.00 1.00 H new ATOM 0 HA ILE A 25 -2.132 -2.168 5.263 1.00 1.00 H new ATOM 0 HB ILE A 25 -2.455 -3.649 7.292 1.00 1.00 H new ATOM 0 HG12 ILE A 25 0.374 -4.611 6.745 1.00 1.00 H new ATOM 0 HG13 ILE A 25 0.083 -3.347 7.924 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -2.096 -5.726 5.969 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -2.786 -4.432 4.960 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -1.053 -4.823 4.844 1.00 1.00 H new ATOM 0 HD11 ILE A 25 0.069 -5.578 9.010 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -1.537 -4.820 9.124 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -1.241 -6.103 7.927 1.00 1.00 H new ATOM 430 N ILE A 26 -2.303 -0.447 7.121 1.00 1.00 N ATOM 431 CA ILE A 26 -2.316 0.664 8.115 1.00 1.00 C ATOM 432 C ILE A 26 -3.189 0.330 9.328 1.00 1.00 C ATOM 433 O ILE A 26 -4.102 -0.483 9.270 1.00 1.00 O ATOM 434 CB ILE A 26 -2.827 1.936 7.428 1.00 1.00 C ATOM 435 CG1 ILE A 26 -2.013 3.132 7.912 1.00 1.00 C ATOM 436 CG2 ILE A 26 -4.315 2.169 7.726 1.00 1.00 C ATOM 437 CD1 ILE A 26 -1.351 3.805 6.709 1.00 1.00 C ATOM 0 H ILE A 26 -3.122 -0.492 6.515 1.00 1.00 H new ATOM 0 HA ILE A 26 -1.301 0.816 8.481 1.00 1.00 H new ATOM 0 HB ILE A 26 -2.712 1.817 6.351 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -2.658 3.841 8.432 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -1.256 2.808 8.626 1.00 1.00 H new ATOM 0 HG21 ILE A 26 -4.648 3.078 7.225 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -4.896 1.321 7.363 1.00 1.00 H new ATOM 0 HG23 ILE A 26 -4.459 2.274 8.801 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -0.767 4.661 7.047 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -0.695 3.093 6.209 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -2.119 4.142 6.012 1.00 1.00 H new ATOM 449 N GLU A 27 -2.897 0.986 10.425 1.00 1.00 N ATOM 450 CA GLU A 27 -3.664 0.773 11.687 1.00 1.00 C ATOM 451 C GLU A 27 -3.863 2.119 12.407 1.00 1.00 C ATOM 452 O GLU A 27 -2.909 2.839 12.679 1.00 1.00 O ATOM 453 CB GLU A 27 -2.888 -0.183 12.599 1.00 1.00 C ATOM 454 CG GLU A 27 -3.066 -1.626 12.111 1.00 1.00 C ATOM 455 CD GLU A 27 -1.744 -2.147 11.531 1.00 1.00 C ATOM 456 OE1 GLU A 27 -0.867 -2.484 12.312 1.00 1.00 O ATOM 457 OE2 GLU A 27 -1.633 -2.205 10.317 1.00 1.00 O ATOM 0 H GLU A 27 -2.145 1.672 10.497 1.00 1.00 H new ATOM 0 HA GLU A 27 -4.637 0.344 11.450 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -1.831 0.081 12.603 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -3.243 -0.090 13.625 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -3.387 -2.261 12.936 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -3.848 -1.669 11.353 1.00 1.00 H new ATOM 545 N ARG A 34 -1.919 11.015 12.209 1.00 1.00 N ATOM 546 CA ARG A 34 -1.046 10.060 11.452 1.00 1.00 C ATOM 547 C ARG A 34 -1.337 8.617 11.903 1.00 1.00 C ATOM 548 O ARG A 34 -1.898 8.382 12.960 1.00 1.00 O ATOM 549 CB ARG A 34 0.430 10.398 11.712 1.00 1.00 C ATOM 550 CG ARG A 34 0.743 10.290 13.210 1.00 1.00 C ATOM 551 CD ARG A 34 1.088 11.674 13.766 1.00 1.00 C ATOM 552 NE ARG A 34 0.921 11.674 15.248 1.00 1.00 N ATOM 553 CZ ARG A 34 1.404 12.658 15.959 1.00 1.00 C ATOM 554 NH1 ARG A 34 2.677 12.682 16.262 1.00 1.00 N ATOM 555 NH2 ARG A 34 0.615 13.616 16.370 1.00 1.00 N ATOM 0 HA ARG A 34 -1.255 10.148 10.386 1.00 1.00 H new ATOM 0 HB2 ARG A 34 1.071 9.719 11.149 1.00 1.00 H new ATOM 0 HB3 ARG A 34 0.647 11.406 11.360 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -0.114 9.877 13.742 1.00 1.00 H new ATOM 0 HG3 ARG A 34 1.576 9.606 13.369 1.00 1.00 H new ATOM 0 HD2 ARG A 34 2.113 11.936 13.506 1.00 1.00 H new ATOM 0 HD3 ARG A 34 0.442 12.429 13.317 1.00 1.00 H new ATOM 0 HE ARG A 34 0.430 10.906 15.706 1.00 1.00 H new ATOM 0 HH11 ARG A 34 3.291 11.933 15.943 1.00 1.00 H new ATOM 0 HH12 ARG A 34 3.055 13.450 16.817 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -0.377 13.595 16.136 1.00 1.00 H new ATOM 0 HH22 ARG A 34 0.992 14.384 16.925 1.00 1.00 H new ATOM 569 N VAL A 35 -0.962 7.659 11.093 1.00 1.00 N ATOM 570 CA VAL A 35 -1.204 6.213 11.425 1.00 1.00 C ATOM 571 C VAL A 35 0.103 5.438 11.399 1.00 1.00 C ATOM 572 O VAL A 35 1.117 5.902 10.907 1.00 1.00 O ATOM 573 CB VAL A 35 -2.139 5.551 10.422 1.00 1.00 C ATOM 574 CG1 VAL A 35 -3.562 6.025 10.640 1.00 1.00 C ATOM 575 CG2 VAL A 35 -1.678 5.886 9.014 1.00 1.00 C ATOM 0 H VAL A 35 -0.491 7.816 10.202 1.00 1.00 H new ATOM 0 HA VAL A 35 -1.654 6.194 12.417 1.00 1.00 H new ATOM 0 HB VAL A 35 -2.115 4.470 10.561 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -4.220 5.544 9.917 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -3.881 5.766 11.649 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -3.609 7.106 10.511 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -2.344 5.415 8.291 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -1.696 6.967 8.873 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -0.663 5.518 8.866 1.00 1.00 H new ATOM 585 N ARG A 36 0.058 4.242 11.897 1.00 1.00 N ATOM 586 CA ARG A 36 1.280 3.364 11.890 1.00 1.00 C ATOM 587 C ARG A 36 1.068 2.256 10.858 1.00 1.00 C ATOM 588 O ARG A 36 0.015 1.639 10.824 1.00 1.00 O ATOM 589 CB ARG A 36 1.518 2.738 13.274 1.00 1.00 C ATOM 590 CG ARG A 36 0.185 2.483 13.987 1.00 1.00 C ATOM 591 CD ARG A 36 0.380 1.432 15.083 1.00 1.00 C ATOM 592 NE ARG A 36 -0.947 1.030 15.631 1.00 1.00 N ATOM 593 CZ ARG A 36 -1.181 1.122 16.914 1.00 1.00 C ATOM 594 NH1 ARG A 36 -1.531 2.269 17.436 1.00 1.00 N ATOM 595 NH2 ARG A 36 -1.068 0.064 17.674 1.00 1.00 N ATOM 0 H ARG A 36 -0.772 3.821 12.314 1.00 1.00 H new ATOM 0 HA ARG A 36 2.153 3.966 11.638 1.00 1.00 H new ATOM 0 HB2 ARG A 36 2.064 1.801 13.166 1.00 1.00 H new ATOM 0 HB3 ARG A 36 2.138 3.401 13.877 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -0.190 3.410 14.421 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -0.562 2.141 13.271 1.00 1.00 H new ATOM 0 HD2 ARG A 36 0.897 0.562 14.679 1.00 1.00 H new ATOM 0 HD3 ARG A 36 1.007 1.834 15.879 1.00 1.00 H new ATOM 0 HE ARG A 36 -1.673 0.683 15.004 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -1.622 3.093 16.842 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -1.713 2.339 18.437 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -0.798 -0.831 17.266 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -1.250 0.133 18.675 1.00 1.00 H new ATOM 609 N VAL A 37 2.033 2.005 9.994 1.00 1.00 N ATOM 610 CA VAL A 37 1.822 0.953 8.966 1.00 1.00 C ATOM 611 C VAL A 37 3.101 0.134 8.736 1.00 1.00 C ATOM 612 O VAL A 37 4.211 0.647 8.746 1.00 1.00 O ATOM 613 CB VAL A 37 1.356 1.611 7.642 1.00 1.00 C ATOM 614 CG1 VAL A 37 1.397 3.138 7.755 1.00 1.00 C ATOM 615 CG2 VAL A 37 2.259 1.185 6.484 1.00 1.00 C ATOM 0 H VAL A 37 2.936 2.478 9.964 1.00 1.00 H new ATOM 0 HA VAL A 37 1.052 0.269 9.322 1.00 1.00 H new ATOM 0 HB VAL A 37 0.334 1.284 7.452 1.00 1.00 H new ATOM 0 HG11 VAL A 37 1.066 3.581 6.816 1.00 1.00 H new ATOM 0 HG12 VAL A 37 0.738 3.461 8.561 1.00 1.00 H new ATOM 0 HG13 VAL A 37 2.416 3.460 7.969 1.00 1.00 H new ATOM 0 HG21 VAL A 37 1.916 1.657 5.563 1.00 1.00 H new ATOM 0 HG22 VAL A 37 3.284 1.493 6.690 1.00 1.00 H new ATOM 0 HG23 VAL A 37 2.221 0.101 6.373 1.00 1.00 H new ATOM 625 N ARG A 38 2.917 -1.127 8.467 1.00 1.00 N ATOM 626 CA ARG A 38 4.067 -2.038 8.153 1.00 1.00 C ATOM 627 C ARG A 38 3.922 -2.390 6.673 1.00 1.00 C ATOM 628 O ARG A 38 2.810 -2.530 6.189 1.00 1.00 O ATOM 629 CB ARG A 38 4.014 -3.314 9.011 1.00 1.00 C ATOM 630 CG ARG A 38 2.559 -3.736 9.260 1.00 1.00 C ATOM 631 CD ARG A 38 2.530 -4.980 10.151 1.00 1.00 C ATOM 632 NE ARG A 38 2.616 -4.570 11.582 1.00 1.00 N ATOM 633 CZ ARG A 38 3.772 -4.557 12.193 1.00 1.00 C ATOM 634 NH1 ARG A 38 4.288 -5.674 12.640 1.00 1.00 N ATOM 635 NH2 ARG A 38 4.410 -3.428 12.355 1.00 1.00 N ATOM 0 H ARG A 38 2.003 -1.579 8.450 1.00 1.00 H new ATOM 0 HA ARG A 38 5.021 -1.556 8.368 1.00 1.00 H new ATOM 0 HB2 ARG A 38 4.551 -4.119 8.509 1.00 1.00 H new ATOM 0 HB3 ARG A 38 4.516 -3.140 9.963 1.00 1.00 H new ATOM 0 HG2 ARG A 38 2.010 -2.923 9.736 1.00 1.00 H new ATOM 0 HG3 ARG A 38 2.063 -3.944 8.312 1.00 1.00 H new ATOM 0 HD2 ARG A 38 1.613 -5.543 9.978 1.00 1.00 H new ATOM 0 HD3 ARG A 38 3.361 -5.639 9.900 1.00 1.00 H new ATOM 0 HE ARG A 38 1.771 -4.299 12.085 1.00 1.00 H new ATOM 0 HH11 ARG A 38 3.788 -6.554 12.512 1.00 1.00 H new ATOM 0 HH12 ARG A 38 5.190 -5.664 13.117 1.00 1.00 H new ATOM 0 HH21 ARG A 38 4.006 -2.559 12.005 1.00 1.00 H new ATOM 0 HH22 ARG A 38 5.312 -3.416 12.831 1.00 1.00 H new ATOM 649 N CYS A 39 4.994 -2.479 5.923 1.00 1.00 N ATOM 650 CA CYS A 39 4.817 -2.747 4.471 1.00 1.00 C ATOM 651 C CYS A 39 5.817 -3.760 3.921 1.00 1.00 C ATOM 652 O CYS A 39 6.919 -3.936 4.418 1.00 1.00 O ATOM 653 CB CYS A 39 5.001 -1.428 3.709 1.00 1.00 C ATOM 654 SG CYS A 39 4.401 -0.044 4.708 1.00 1.00 S ATOM 0 H CYS A 39 5.956 -2.380 6.246 1.00 1.00 H new ATOM 0 HA CYS A 39 3.820 -3.166 4.338 1.00 1.00 H new ATOM 0 HB2 CYS A 39 6.054 -1.283 3.467 1.00 1.00 H new ATOM 0 HB3 CYS A 39 4.459 -1.466 2.764 1.00 1.00 H new ATOM 0 HG CYS A 39 5.199 0.141 5.717 1.00 1.00 H new ATOM 660 N LEU A 40 5.431 -4.360 2.828 1.00 1.00 N ATOM 661 CA LEU A 40 6.281 -5.304 2.112 1.00 1.00 C ATOM 662 C LEU A 40 7.009 -4.498 1.044 1.00 1.00 C ATOM 663 O LEU A 40 6.846 -3.263 0.935 1.00 1.00 O ATOM 664 CB LEU A 40 5.427 -6.391 1.468 1.00 1.00 C ATOM 665 CG LEU A 40 6.060 -7.772 1.672 1.00 1.00 C ATOM 666 CD1 LEU A 40 6.578 -7.921 3.108 1.00 1.00 C ATOM 667 CD2 LEU A 40 4.995 -8.832 1.409 1.00 1.00 C ATOM 0 H LEU A 40 4.517 -4.215 2.398 1.00 1.00 H new ATOM 0 HA LEU A 40 6.986 -5.796 2.782 1.00 1.00 H new ATOM 0 HB2 LEU A 40 4.426 -6.377 1.900 1.00 1.00 H new ATOM 0 HB3 LEU A 40 5.317 -6.190 0.402 1.00 1.00 H new ATOM 0 HG LEU A 40 6.900 -7.890 0.987 1.00 1.00 H new ATOM 0 HD11 LEU A 40 7.024 -8.908 3.233 1.00 1.00 H new ATOM 0 HD12 LEU A 40 7.329 -7.156 3.305 1.00 1.00 H new ATOM 0 HD13 LEU A 40 5.750 -7.805 3.807 1.00 1.00 H new ATOM 0 HD21 LEU A 40 5.426 -9.823 1.549 1.00 1.00 H new ATOM 0 HD22 LEU A 40 4.166 -8.695 2.104 1.00 1.00 H new ATOM 0 HD23 LEU A 40 4.631 -8.736 0.386 1.00 1.00 H new ATOM 679 N ASP A 41 7.856 -5.178 0.323 1.00 1.00 N ATOM 680 CA ASP A 41 8.765 -4.515 -0.638 1.00 1.00 C ATOM 681 C ASP A 41 9.873 -3.894 0.249 1.00 1.00 C ATOM 682 O ASP A 41 10.599 -3.000 -0.147 1.00 1.00 O ATOM 683 CB ASP A 41 8.030 -3.429 -1.442 1.00 1.00 C ATOM 684 CG ASP A 41 8.722 -3.232 -2.795 1.00 1.00 C ATOM 685 OD1 ASP A 41 8.456 -4.015 -3.694 1.00 1.00 O ATOM 686 OD2 ASP A 41 9.504 -2.302 -2.912 1.00 1.00 O ATOM 0 H ASP A 41 7.954 -6.192 0.365 1.00 1.00 H new ATOM 0 HA ASP A 41 9.163 -5.211 -1.377 1.00 1.00 H new ATOM 0 HB2 ASP A 41 6.989 -3.716 -1.593 1.00 1.00 H new ATOM 0 HB3 ASP A 41 8.024 -2.492 -0.885 1.00 1.00 H new ATOM 691 N GLY A 42 10.026 -4.467 1.452 1.00 1.00 N ATOM 692 CA GLY A 42 11.094 -4.067 2.425 1.00 1.00 C ATOM 693 C GLY A 42 10.896 -2.670 3.030 1.00 1.00 C ATOM 694 O GLY A 42 11.815 -1.872 2.989 1.00 1.00 O ATOM 0 H GLY A 42 9.425 -5.218 1.791 1.00 1.00 H new ATOM 0 HA2 GLY A 42 11.129 -4.799 3.232 1.00 1.00 H new ATOM 0 HA3 GLY A 42 12.060 -4.100 1.922 1.00 1.00 H new ATOM 698 N LYS A 43 9.754 -2.349 3.619 1.00 1.00 N ATOM 699 CA LYS A 43 9.635 -0.984 4.222 1.00 1.00 C ATOM 700 C LYS A 43 8.783 -0.986 5.497 1.00 1.00 C ATOM 701 O LYS A 43 7.877 -1.781 5.667 1.00 1.00 O ATOM 702 CB LYS A 43 9.031 -0.018 3.206 1.00 1.00 C ATOM 703 CG LYS A 43 10.064 1.059 2.840 1.00 1.00 C ATOM 704 CD LYS A 43 10.778 0.685 1.537 1.00 1.00 C ATOM 705 CE LYS A 43 12.117 1.423 1.455 1.00 1.00 C ATOM 706 NZ LYS A 43 13.229 0.490 1.796 1.00 1.00 N ATOM 0 H LYS A 43 8.935 -2.951 3.703 1.00 1.00 H new ATOM 0 HA LYS A 43 10.640 -0.661 4.495 1.00 1.00 H new ATOM 0 HB2 LYS A 43 8.724 -0.560 2.312 1.00 1.00 H new ATOM 0 HB3 LYS A 43 8.136 0.448 3.619 1.00 1.00 H new ATOM 0 HG2 LYS A 43 9.570 2.024 2.729 1.00 1.00 H new ATOM 0 HG3 LYS A 43 10.792 1.164 3.645 1.00 1.00 H new ATOM 0 HD2 LYS A 43 10.942 -0.392 1.496 1.00 1.00 H new ATOM 0 HD3 LYS A 43 10.155 0.945 0.681 1.00 1.00 H new ATOM 0 HE2 LYS A 43 12.261 1.824 0.452 1.00 1.00 H new ATOM 0 HE3 LYS A 43 12.118 2.271 2.140 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 13.881 0.955 2.460 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 12.840 -0.368 2.236 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 13.743 0.232 0.930 1.00 1.00 H new ATOM 720 N THR A 44 9.049 -0.039 6.354 1.00 1.00 N ATOM 721 CA THR A 44 8.259 0.145 7.617 1.00 1.00 C ATOM 722 C THR A 44 8.113 1.658 7.781 1.00 1.00 C ATOM 723 O THR A 44 9.103 2.380 7.861 1.00 1.00 O ATOM 724 CB THR A 44 8.989 -0.458 8.826 1.00 1.00 C ATOM 725 OG1 THR A 44 9.804 -1.550 8.414 1.00 1.00 O ATOM 726 CG2 THR A 44 7.956 -0.945 9.840 1.00 1.00 C ATOM 0 H THR A 44 9.803 0.637 6.232 1.00 1.00 H new ATOM 0 HA THR A 44 7.295 -0.360 7.560 1.00 1.00 H new ATOM 0 HB THR A 44 9.625 0.303 9.279 1.00 1.00 H new ATOM 0 HG1 THR A 44 10.266 -1.926 9.193 1.00 1.00 H new ATOM 0 HG21 THR A 44 8.467 -1.375 10.702 1.00 1.00 H new ATOM 0 HG22 THR A 44 7.341 -0.106 10.164 1.00 1.00 H new ATOM 0 HG23 THR A 44 7.322 -1.703 9.379 1.00 1.00 H new ATOM 734 N ARG A 45 6.902 2.164 7.743 1.00 1.00 N ATOM 735 CA ARG A 45 6.743 3.641 7.798 1.00 1.00 C ATOM 736 C ARG A 45 5.463 4.084 8.490 1.00 1.00 C ATOM 737 O ARG A 45 4.506 3.343 8.618 1.00 1.00 O ATOM 738 CB ARG A 45 6.739 4.184 6.364 1.00 1.00 C ATOM 739 CG ARG A 45 5.927 3.254 5.449 1.00 1.00 C ATOM 740 CD ARG A 45 6.855 2.231 4.782 1.00 1.00 C ATOM 741 NE ARG A 45 8.012 2.932 4.151 1.00 1.00 N ATOM 742 CZ ARG A 45 7.805 3.837 3.233 1.00 1.00 C ATOM 743 NH1 ARG A 45 7.604 3.479 1.992 1.00 1.00 N ATOM 744 NH2 ARG A 45 7.809 5.101 3.561 1.00 1.00 N ATOM 0 H ARG A 45 6.038 1.626 7.678 1.00 1.00 H new ATOM 0 HA ARG A 45 7.575 4.034 8.382 1.00 1.00 H new ATOM 0 HB2 ARG A 45 6.312 5.187 6.348 1.00 1.00 H new ATOM 0 HB3 ARG A 45 7.761 4.267 5.996 1.00 1.00 H new ATOM 0 HG2 ARG A 45 5.161 2.739 6.028 1.00 1.00 H new ATOM 0 HG3 ARG A 45 5.411 3.839 4.688 1.00 1.00 H new ATOM 0 HD2 ARG A 45 7.212 1.514 5.521 1.00 1.00 H new ATOM 0 HD3 ARG A 45 6.306 1.666 4.029 1.00 1.00 H new ATOM 0 HE ARG A 45 8.964 2.704 4.437 1.00 1.00 H new ATOM 0 HH11 ARG A 45 7.609 2.491 1.739 1.00 1.00 H new ATOM 0 HH12 ARG A 45 7.442 4.188 1.277 1.00 1.00 H new ATOM 0 HH21 ARG A 45 7.973 5.376 4.529 1.00 1.00 H new ATOM 0 HH22 ARG A 45 7.648 5.813 2.849 1.00 1.00 H new ATOM 758 N LEU A 46 5.430 5.341 8.851 1.00 1.00 N ATOM 759 CA LEU A 46 4.198 5.931 9.448 1.00 1.00 C ATOM 760 C LEU A 46 3.491 6.625 8.278 1.00 1.00 C ATOM 761 O LEU A 46 4.122 7.341 7.517 1.00 1.00 O ATOM 762 CB LEU A 46 4.558 6.963 10.527 1.00 1.00 C ATOM 763 CG LEU A 46 4.980 6.272 11.833 1.00 1.00 C ATOM 764 CD1 LEU A 46 3.818 5.443 12.384 1.00 1.00 C ATOM 765 CD2 LEU A 46 6.185 5.357 11.577 1.00 1.00 C ATOM 0 H LEU A 46 6.212 5.989 8.756 1.00 1.00 H new ATOM 0 HA LEU A 46 3.576 5.175 9.926 1.00 1.00 H new ATOM 0 HB2 LEU A 46 5.368 7.599 10.170 1.00 1.00 H new ATOM 0 HB3 LEU A 46 3.702 7.611 10.715 1.00 1.00 H new ATOM 0 HG LEU A 46 5.256 7.035 12.561 1.00 1.00 H new ATOM 0 HD11 LEU A 46 4.125 4.956 13.310 1.00 1.00 H new ATOM 0 HD12 LEU A 46 2.967 6.095 12.582 1.00 1.00 H new ATOM 0 HD13 LEU A 46 3.533 4.686 11.654 1.00 1.00 H new ATOM 0 HD21 LEU A 46 6.477 4.871 12.508 1.00 1.00 H new ATOM 0 HD22 LEU A 46 5.916 4.599 10.841 1.00 1.00 H new ATOM 0 HD23 LEU A 46 7.018 5.950 11.200 1.00 1.00 H new ATOM 777 N GLY A 47 2.222 6.387 8.080 1.00 1.00 N ATOM 778 CA GLY A 47 1.523 6.987 6.902 1.00 1.00 C ATOM 779 C GLY A 47 0.816 8.288 7.262 1.00 1.00 C ATOM 780 O GLY A 47 0.362 8.487 8.375 1.00 1.00 O ATOM 0 H GLY A 47 1.639 5.805 8.681 1.00 1.00 H new ATOM 0 HA2 GLY A 47 2.246 7.174 6.108 1.00 1.00 H new ATOM 0 HA3 GLY A 47 0.796 6.275 6.510 1.00 1.00 H new ATOM 784 N ARG A 48 0.731 9.180 6.298 1.00 1.00 N ATOM 785 CA ARG A 48 0.067 10.494 6.521 1.00 1.00 C ATOM 786 C ARG A 48 -1.020 10.718 5.463 1.00 1.00 C ATOM 787 O ARG A 48 -0.875 10.341 4.312 1.00 1.00 O ATOM 788 CB ARG A 48 1.105 11.623 6.448 1.00 1.00 C ATOM 789 CG ARG A 48 1.879 11.551 5.126 1.00 1.00 C ATOM 790 CD ARG A 48 1.978 12.948 4.510 1.00 1.00 C ATOM 791 NE ARG A 48 0.658 13.342 3.937 1.00 1.00 N ATOM 792 CZ ARG A 48 0.359 14.606 3.799 1.00 1.00 C ATOM 793 NH1 ARG A 48 -0.086 15.288 4.823 1.00 1.00 N ATOM 794 NH2 ARG A 48 0.511 15.191 2.640 1.00 1.00 N ATOM 0 H ARG A 48 1.101 9.044 5.357 1.00 1.00 H new ATOM 0 HA ARG A 48 -0.393 10.495 7.509 1.00 1.00 H new ATOM 0 HB2 ARG A 48 0.608 12.589 6.534 1.00 1.00 H new ATOM 0 HB3 ARG A 48 1.797 11.545 7.287 1.00 1.00 H new ATOM 0 HG2 ARG A 48 2.877 11.148 5.299 1.00 1.00 H new ATOM 0 HG3 ARG A 48 1.377 10.873 4.436 1.00 1.00 H new ATOM 0 HD2 ARG A 48 2.286 13.669 5.268 1.00 1.00 H new ATOM 0 HD3 ARG A 48 2.741 12.959 3.731 1.00 1.00 H new ATOM 0 HE ARG A 48 -0.010 12.625 3.653 1.00 1.00 H new ATOM 0 HH11 ARG A 48 -0.199 14.833 5.729 1.00 1.00 H new ATOM 0 HH12 ARG A 48 -0.320 16.275 4.716 1.00 1.00 H new ATOM 0 HH21 ARG A 48 0.863 14.660 1.843 1.00 1.00 H new ATOM 0 HH22 ARG A 48 0.277 16.178 2.532 1.00 1.00 H new ATOM 1056 N ASP A 63 -6.716 -2.025 8.047 1.00 1.00 N ATOM 1057 CA ASP A 63 -7.151 -1.618 6.669 1.00 1.00 C ATOM 1058 C ASP A 63 -5.935 -1.705 5.736 1.00 1.00 C ATOM 1059 O ASP A 63 -4.806 -1.721 6.199 1.00 1.00 O ATOM 1060 CB ASP A 63 -7.680 -0.179 6.697 1.00 1.00 C ATOM 1061 CG ASP A 63 -9.113 -0.145 6.154 1.00 1.00 C ATOM 1062 OD1 ASP A 63 -9.268 -0.160 4.943 1.00 1.00 O ATOM 1063 OD2 ASP A 63 -10.030 -0.099 6.957 1.00 1.00 O ATOM 0 HA ASP A 63 -7.945 -2.276 6.315 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -7.658 0.207 7.716 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -7.038 0.466 6.097 1.00 1.00 H new ATOM 1068 N VAL A 64 -6.130 -1.760 4.435 1.00 1.00 N ATOM 1069 CA VAL A 64 -4.938 -1.847 3.526 1.00 1.00 C ATOM 1070 C VAL A 64 -4.709 -0.504 2.847 1.00 1.00 C ATOM 1071 O VAL A 64 -5.640 0.186 2.474 1.00 1.00 O ATOM 1072 CB VAL A 64 -5.107 -2.940 2.464 1.00 1.00 C ATOM 1073 CG1 VAL A 64 -3.898 -3.876 2.538 1.00 1.00 C ATOM 1074 CG2 VAL A 64 -6.387 -3.740 2.712 1.00 1.00 C ATOM 0 H VAL A 64 -7.039 -1.749 3.973 1.00 1.00 H new ATOM 0 HA VAL A 64 -4.074 -2.108 4.137 1.00 1.00 H new ATOM 0 HB VAL A 64 -5.176 -2.480 1.478 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -4.000 -4.662 1.789 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -2.987 -3.309 2.348 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -3.846 -4.325 3.530 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -6.488 -4.510 1.948 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -6.339 -4.208 3.695 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -7.247 -3.072 2.670 1.00 1.00 H new ATOM 1084 N VAL A 65 -3.467 -0.125 2.707 1.00 1.00 N ATOM 1085 CA VAL A 65 -3.153 1.192 2.074 1.00 1.00 C ATOM 1086 C VAL A 65 -1.902 1.097 1.198 1.00 1.00 C ATOM 1087 O VAL A 65 -1.043 0.257 1.403 1.00 1.00 O ATOM 1088 CB VAL A 65 -2.911 2.237 3.178 1.00 1.00 C ATOM 1089 CG1 VAL A 65 -4.128 2.304 4.107 1.00 1.00 C ATOM 1090 CG2 VAL A 65 -1.673 1.853 3.998 1.00 1.00 C ATOM 0 H VAL A 65 -2.656 -0.669 3.003 1.00 1.00 H new ATOM 0 HA VAL A 65 -3.996 1.483 1.448 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.753 3.210 2.713 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -3.951 3.045 4.886 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -5.010 2.586 3.532 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -4.290 1.328 4.565 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -1.508 2.597 4.777 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -1.828 0.876 4.456 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -0.802 1.813 3.344 1.00 1.00 H new ATOM 1100 N ILE A 66 -1.765 2.005 0.265 1.00 1.00 N ATOM 1101 CA ILE A 66 -0.528 2.030 -0.582 1.00 1.00 C ATOM 1102 C ILE A 66 0.356 3.139 -0.007 1.00 1.00 C ATOM 1103 O ILE A 66 -0.156 4.114 0.518 1.00 1.00 O ATOM 1104 CB ILE A 66 -0.872 2.305 -2.054 1.00 1.00 C ATOM 1105 CG1 ILE A 66 0.303 1.868 -2.934 1.00 1.00 C ATOM 1106 CG2 ILE A 66 -1.139 3.798 -2.278 1.00 1.00 C ATOM 1107 CD1 ILE A 66 0.101 0.419 -3.380 1.00 1.00 C ATOM 0 H ILE A 66 -2.452 2.728 0.052 1.00 1.00 H new ATOM 0 HA ILE A 66 -0.017 1.068 -0.563 1.00 1.00 H new ATOM 0 HB ILE A 66 -1.770 1.745 -2.315 1.00 1.00 H new ATOM 0 HG12 ILE A 66 0.380 2.519 -3.805 1.00 1.00 H new ATOM 0 HG13 ILE A 66 1.238 1.962 -2.382 1.00 1.00 H new ATOM 0 HG21 ILE A 66 -1.381 3.971 -3.327 1.00 1.00 H new ATOM 0 HG22 ILE A 66 -1.976 4.115 -1.656 1.00 1.00 H new ATOM 0 HG23 ILE A 66 -0.251 4.371 -2.011 1.00 1.00 H new ATOM 0 HD11 ILE A 66 0.938 0.111 -4.006 1.00 1.00 H new ATOM 0 HD12 ILE A 66 0.046 -0.227 -2.504 1.00 1.00 H new ATOM 0 HD13 ILE A 66 -0.826 0.339 -3.949 1.00 1.00 H new ATOM 1119 N VAL A 67 1.663 3.003 -0.038 1.00 1.00 N ATOM 1120 CA VAL A 67 2.502 4.070 0.591 1.00 1.00 C ATOM 1121 C VAL A 67 3.652 4.559 -0.313 1.00 1.00 C ATOM 1122 O VAL A 67 4.177 3.846 -1.158 1.00 1.00 O ATOM 1123 CB VAL A 67 3.084 3.553 1.928 1.00 1.00 C ATOM 1124 CG1 VAL A 67 2.214 2.422 2.488 1.00 1.00 C ATOM 1125 CG2 VAL A 67 4.509 3.026 1.722 1.00 1.00 C ATOM 0 H VAL A 67 2.170 2.224 -0.458 1.00 1.00 H new ATOM 0 HA VAL A 67 1.846 4.924 0.758 1.00 1.00 H new ATOM 0 HB VAL A 67 3.100 4.385 2.633 1.00 1.00 H new ATOM 0 HG11 VAL A 67 2.637 2.069 3.429 1.00 1.00 H new ATOM 0 HG12 VAL A 67 1.203 2.792 2.661 1.00 1.00 H new ATOM 0 HG13 VAL A 67 2.182 1.599 1.773 1.00 1.00 H new ATOM 0 HG21 VAL A 67 4.905 2.666 2.672 1.00 1.00 H new ATOM 0 HG22 VAL A 67 4.494 2.208 1.002 1.00 1.00 H new ATOM 0 HG23 VAL A 67 5.143 3.829 1.346 1.00 1.00 H new ATOM 1135 N LYS A 68 4.057 5.781 -0.054 1.00 1.00 N ATOM 1136 CA LYS A 68 5.192 6.430 -0.767 1.00 1.00 C ATOM 1137 C LYS A 68 6.354 6.486 0.226 1.00 1.00 C ATOM 1138 O LYS A 68 6.102 6.575 1.414 1.00 1.00 O ATOM 1139 CB LYS A 68 4.799 7.851 -1.203 1.00 1.00 C ATOM 1140 CG LYS A 68 3.589 7.789 -2.142 1.00 1.00 C ATOM 1141 CD LYS A 68 4.048 7.389 -3.548 1.00 1.00 C ATOM 1142 CE LYS A 68 3.621 5.948 -3.841 1.00 1.00 C ATOM 1143 NZ LYS A 68 2.161 5.909 -4.146 1.00 1.00 N ATOM 0 H LYS A 68 3.624 6.374 0.654 1.00 1.00 H new ATOM 0 HA LYS A 68 5.466 5.873 -1.663 1.00 1.00 H new ATOM 0 HB2 LYS A 68 4.562 8.457 -0.329 1.00 1.00 H new ATOM 0 HB3 LYS A 68 5.638 8.332 -1.707 1.00 1.00 H new ATOM 0 HG2 LYS A 68 2.862 7.068 -1.767 1.00 1.00 H new ATOM 0 HG3 LYS A 68 3.091 8.758 -2.173 1.00 1.00 H new ATOM 0 HD2 LYS A 68 3.616 8.064 -4.287 1.00 1.00 H new ATOM 0 HD3 LYS A 68 5.131 7.480 -3.627 1.00 1.00 H new ATOM 0 HE2 LYS A 68 4.189 5.554 -4.684 1.00 1.00 H new ATOM 0 HE3 LYS A 68 3.840 5.312 -2.984 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 1.951 5.078 -4.735 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 1.622 5.850 -3.258 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 1.890 6.773 -4.658 1.00 1.00 H new ATOM 1157 N PRO A 69 7.574 6.420 -0.266 1.00 1.00 N ATOM 1158 CA PRO A 69 8.777 6.412 0.595 1.00 1.00 C ATOM 1159 C PRO A 69 9.294 7.821 0.914 1.00 1.00 C ATOM 1160 O PRO A 69 9.370 8.689 0.062 1.00 1.00 O ATOM 1161 CB PRO A 69 9.809 5.702 -0.275 1.00 1.00 C ATOM 1162 CG PRO A 69 9.348 5.877 -1.747 1.00 1.00 C ATOM 1163 CD PRO A 69 7.867 6.304 -1.706 1.00 1.00 C ATOM 0 HA PRO A 69 8.573 5.945 1.558 1.00 1.00 H new ATOM 0 HB2 PRO A 69 10.800 6.130 -0.127 1.00 1.00 H new ATOM 0 HB3 PRO A 69 9.875 4.646 -0.013 1.00 1.00 H new ATOM 0 HG2 PRO A 69 9.953 6.629 -2.254 1.00 1.00 H new ATOM 0 HG3 PRO A 69 9.466 4.946 -2.302 1.00 1.00 H new ATOM 0 HD2 PRO A 69 7.709 7.250 -2.224 1.00 1.00 H new ATOM 0 HD3 PRO A 69 7.225 5.566 -2.187 1.00 1.00 H new ATOM 1171 N TRP A 70 9.644 8.024 2.168 1.00 1.00 N ATOM 1172 CA TRP A 70 10.164 9.344 2.639 1.00 1.00 C ATOM 1173 C TRP A 70 11.562 9.119 3.216 1.00 1.00 C ATOM 1174 O TRP A 70 11.679 8.438 4.238 1.00 1.00 O ATOM 1175 CB TRP A 70 9.353 9.894 3.809 1.00 1.00 C ATOM 1176 CG TRP A 70 8.082 10.343 3.334 1.00 1.00 C ATOM 1177 CD1 TRP A 70 7.370 9.690 2.434 1.00 1.00 C ATOM 1178 CD2 TRP A 70 7.336 11.509 3.720 1.00 1.00 C ATOM 1179 NE1 TRP A 70 6.234 10.349 2.235 1.00 1.00 N ATOM 1180 CE2 TRP A 70 6.148 11.493 2.997 1.00 1.00 C ATOM 1181 CE3 TRP A 70 7.569 12.566 4.616 1.00 1.00 C ATOM 1182 CZ2 TRP A 70 5.203 12.478 3.140 1.00 1.00 C ATOM 1183 CZ3 TRP A 70 6.614 13.581 4.768 1.00 1.00 C ATOM 1184 CH2 TRP A 70 5.426 13.534 4.029 1.00 1.00 C ATOM 0 H TRP A 70 9.588 7.311 2.896 1.00 1.00 H new ATOM 0 HA TRP A 70 10.128 10.029 1.792 1.00 1.00 H new ATOM 0 HB2 TRP A 70 9.219 9.123 4.568 1.00 1.00 H new ATOM 0 HB3 TRP A 70 9.888 10.717 4.282 1.00 1.00 H new ATOM 0 HD1 TRP A 70 7.662 8.774 1.942 1.00 1.00 H new ATOM 0 HE1 TRP A 70 5.506 10.042 1.590 1.00 1.00 H new ATOM 0 HE3 TRP A 70 8.485 12.597 5.188 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 4.289 12.438 2.567 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 6.794 14.396 5.453 1.00 1.00 H new ATOM 0 HH2 TRP A 70 4.684 14.311 4.145 1.00 1.00 H new ATOM 1262 N GLN A 76 11.098 5.067 7.996 1.00 1.00 N ATOM 1263 CA GLN A 76 10.695 5.891 6.819 1.00 1.00 C ATOM 1264 C GLN A 76 9.308 6.506 7.000 1.00 1.00 C ATOM 1265 O GLN A 76 8.436 5.959 7.659 1.00 1.00 O ATOM 1266 CB GLN A 76 10.711 5.013 5.567 1.00 1.00 C ATOM 1267 CG GLN A 76 12.162 4.829 5.106 1.00 1.00 C ATOM 1268 CD GLN A 76 12.214 4.509 3.606 1.00 1.00 C ATOM 1269 OE1 GLN A 76 11.244 4.682 2.891 1.00 1.00 O ATOM 1270 NE2 GLN A 76 13.324 4.047 3.094 1.00 1.00 N ATOM 0 HA GLN A 76 11.406 6.711 6.719 1.00 1.00 H new ATOM 0 HB2 GLN A 76 10.258 4.045 5.780 1.00 1.00 H new ATOM 0 HB3 GLN A 76 10.120 5.474 4.776 1.00 1.00 H new ATOM 0 HG2 GLN A 76 12.732 5.735 5.310 1.00 1.00 H new ATOM 0 HG3 GLN A 76 12.630 4.024 5.672 1.00 1.00 H new ATOM 0 HE21 GLN A 76 14.139 3.901 3.690 1.00 1.00 H new ATOM 0 HE22 GLN A 76 13.376 3.833 2.098 1.00 1.00 H new ATOM 1279 N LYS A 77 9.094 7.636 6.372 1.00 1.00 N ATOM 1280 CA LYS A 77 7.748 8.294 6.438 1.00 1.00 C ATOM 1281 C LYS A 77 7.037 7.938 5.150 1.00 1.00 C ATOM 1282 O LYS A 77 7.680 7.662 4.166 1.00 1.00 O ATOM 1283 CB LYS A 77 7.898 9.815 6.592 1.00 1.00 C ATOM 1284 CG LYS A 77 6.576 10.418 7.076 1.00 1.00 C ATOM 1285 CD LYS A 77 6.346 10.051 8.546 1.00 1.00 C ATOM 1286 CE LYS A 77 6.500 11.297 9.423 1.00 1.00 C ATOM 1287 NZ LYS A 77 5.999 11.002 10.795 1.00 1.00 N ATOM 0 H LYS A 77 9.791 8.132 5.817 1.00 1.00 H new ATOM 0 HA LYS A 77 7.177 7.951 7.301 1.00 1.00 H new ATOM 0 HB2 LYS A 77 8.694 10.042 7.302 1.00 1.00 H new ATOM 0 HB3 LYS A 77 8.185 10.260 5.639 1.00 1.00 H new ATOM 0 HG2 LYS A 77 6.596 11.502 6.961 1.00 1.00 H new ATOM 0 HG3 LYS A 77 5.752 10.048 6.466 1.00 1.00 H new ATOM 0 HD2 LYS A 77 5.350 9.627 8.673 1.00 1.00 H new ATOM 0 HD3 LYS A 77 7.059 9.287 8.855 1.00 1.00 H new ATOM 0 HE2 LYS A 77 7.546 11.600 9.463 1.00 1.00 H new ATOM 0 HE3 LYS A 77 5.944 12.129 8.992 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 6.103 11.847 11.392 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 4.996 10.733 10.748 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 6.548 10.220 11.204 1.00 1.00 H new ATOM 1301 N CYS A 78 5.746 7.876 5.120 1.00 1.00 N ATOM 1302 CA CYS A 78 5.098 7.483 3.841 1.00 1.00 C ATOM 1303 C CYS A 78 3.812 8.256 3.614 1.00 1.00 C ATOM 1304 O CYS A 78 3.117 8.625 4.544 1.00 1.00 O ATOM 1305 CB CYS A 78 4.796 5.982 3.852 1.00 1.00 C ATOM 1306 SG CYS A 78 3.602 5.593 5.151 1.00 1.00 S ATOM 0 H CYS A 78 5.120 8.073 5.900 1.00 1.00 H new ATOM 0 HA CYS A 78 5.787 7.717 3.029 1.00 1.00 H new ATOM 0 HB2 CYS A 78 4.402 5.676 2.883 1.00 1.00 H new ATOM 0 HB3 CYS A 78 5.716 5.420 4.014 1.00 1.00 H new ATOM 0 HG CYS A 78 3.467 4.303 5.245 1.00 1.00 H new ATOM 1312 N ASP A 79 3.463 8.442 2.370 1.00 1.00 N ATOM 1313 CA ASP A 79 2.166 9.130 2.063 1.00 1.00 C ATOM 1314 C ASP A 79 1.203 8.006 1.717 1.00 1.00 C ATOM 1315 O ASP A 79 1.484 7.216 0.831 1.00 1.00 O ATOM 1316 CB ASP A 79 2.331 10.089 0.877 1.00 1.00 C ATOM 1317 CG ASP A 79 1.427 11.314 1.074 1.00 1.00 C ATOM 1318 OD1 ASP A 79 0.218 11.138 1.111 1.00 1.00 O ATOM 1319 OD2 ASP A 79 1.960 12.406 1.183 1.00 1.00 O ATOM 0 H ASP A 79 4.009 8.153 1.558 1.00 1.00 H new ATOM 0 HA ASP A 79 1.810 9.732 2.899 1.00 1.00 H new ATOM 0 HB2 ASP A 79 3.371 10.402 0.792 1.00 1.00 H new ATOM 0 HB3 ASP A 79 2.074 9.581 -0.053 1.00 1.00 H new ATOM 1324 N ILE A 80 0.132 7.848 2.441 1.00 1.00 N ATOM 1325 CA ILE A 80 -0.738 6.668 2.149 1.00 1.00 C ATOM 1326 C ILE A 80 -2.161 7.004 1.756 1.00 1.00 C ATOM 1327 O ILE A 80 -2.738 8.008 2.137 1.00 1.00 O ATOM 1328 CB ILE A 80 -0.801 5.742 3.365 1.00 1.00 C ATOM 1329 CG1 ILE A 80 -1.112 6.544 4.636 1.00 1.00 C ATOM 1330 CG2 ILE A 80 0.532 5.028 3.517 1.00 1.00 C ATOM 1331 CD1 ILE A 80 -2.528 6.215 5.111 1.00 1.00 C ATOM 0 H ILE A 80 -0.175 8.459 3.198 1.00 1.00 H new ATOM 0 HA ILE A 80 -0.268 6.190 1.289 1.00 1.00 H new ATOM 0 HB ILE A 80 -1.596 5.011 3.217 1.00 1.00 H new ATOM 0 HG12 ILE A 80 -0.390 6.304 5.416 1.00 1.00 H new ATOM 0 HG13 ILE A 80 -1.022 7.612 4.436 1.00 1.00 H new ATOM 0 HG21 ILE A 80 0.494 4.366 4.382 1.00 1.00 H new ATOM 0 HG22 ILE A 80 0.735 4.442 2.621 1.00 1.00 H new ATOM 0 HG23 ILE A 80 1.325 5.763 3.657 1.00 1.00 H new ATOM 0 HD11 ILE A 80 -2.750 6.784 6.014 1.00 1.00 H new ATOM 0 HD12 ILE A 80 -3.243 6.477 4.331 1.00 1.00 H new ATOM 0 HD13 ILE A 80 -2.601 5.149 5.327 1.00 1.00 H new ATOM 1343 N ILE A 81 -2.730 6.069 1.047 1.00 1.00 N ATOM 1344 CA ILE A 81 -4.157 6.152 0.628 1.00 1.00 C ATOM 1345 C ILE A 81 -4.856 4.965 1.298 1.00 1.00 C ATOM 1346 O ILE A 81 -4.340 3.852 1.287 1.00 1.00 O ATOM 1347 CB ILE A 81 -4.297 6.084 -0.906 1.00 1.00 C ATOM 1348 CG1 ILE A 81 -3.922 4.690 -1.421 1.00 1.00 C ATOM 1349 CG2 ILE A 81 -3.376 7.123 -1.547 1.00 1.00 C ATOM 1350 CD1 ILE A 81 -5.193 3.899 -1.742 1.00 1.00 C ATOM 0 H ILE A 81 -2.250 5.226 0.732 1.00 1.00 H new ATOM 0 HA ILE A 81 -4.603 7.101 0.928 1.00 1.00 H new ATOM 0 HB ILE A 81 -5.334 6.290 -1.171 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -3.301 4.776 -2.313 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -3.333 4.161 -0.672 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -3.474 7.076 -2.632 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -3.654 8.118 -1.200 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -2.343 6.916 -1.267 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -4.922 2.909 -2.108 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -5.798 3.800 -0.840 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -5.765 4.424 -2.507 1.00 1.00 H new ATOM 1362 N TRP A 82 -5.985 5.198 1.924 1.00 1.00 N ATOM 1363 CA TRP A 82 -6.680 4.096 2.659 1.00 1.00 C ATOM 1364 C TRP A 82 -7.799 3.478 1.815 1.00 1.00 C ATOM 1365 O TRP A 82 -8.467 4.145 1.044 1.00 1.00 O ATOM 1366 CB TRP A 82 -7.241 4.668 3.981 1.00 1.00 C ATOM 1367 CG TRP A 82 -8.605 4.117 4.288 1.00 1.00 C ATOM 1368 CD1 TRP A 82 -8.856 3.063 5.099 1.00 1.00 C ATOM 1369 CD2 TRP A 82 -9.902 4.578 3.806 1.00 1.00 C ATOM 1370 NE1 TRP A 82 -10.222 2.848 5.144 1.00 1.00 N ATOM 1371 CE2 TRP A 82 -10.909 3.755 4.363 1.00 1.00 C ATOM 1372 CE3 TRP A 82 -10.296 5.619 2.945 1.00 1.00 C ATOM 1373 CZ2 TRP A 82 -12.260 3.960 4.078 1.00 1.00 C ATOM 1374 CZ3 TRP A 82 -11.655 5.827 2.657 1.00 1.00 C ATOM 1375 CH2 TRP A 82 -12.634 4.999 3.222 1.00 1.00 C ATOM 0 H TRP A 82 -6.454 6.103 1.957 1.00 1.00 H new ATOM 0 HA TRP A 82 -5.967 3.299 2.871 1.00 1.00 H new ATOM 0 HB2 TRP A 82 -6.560 4.431 4.798 1.00 1.00 H new ATOM 0 HB3 TRP A 82 -7.294 5.755 3.915 1.00 1.00 H new ATOM 0 HD1 TRP A 82 -8.111 2.484 5.625 1.00 1.00 H new ATOM 0 HE1 TRP A 82 -10.667 2.109 5.688 1.00 1.00 H new ATOM 0 HE3 TRP A 82 -9.549 6.262 2.503 1.00 1.00 H new ATOM 0 HZ2 TRP A 82 -13.011 3.320 4.516 1.00 1.00 H new ATOM 0 HZ3 TRP A 82 -11.947 6.630 1.996 1.00 1.00 H new ATOM 0 HH2 TRP A 82 -13.677 5.164 2.996 1.00 1.00 H new ATOM 1386 N ARG A 83 -7.998 2.192 1.986 1.00 1.00 N ATOM 1387 CA ARG A 83 -9.064 1.462 1.240 1.00 1.00 C ATOM 1388 C ARG A 83 -9.161 0.021 1.767 1.00 1.00 C ATOM 1389 O ARG A 83 -8.203 -0.534 2.294 1.00 1.00 O ATOM 1390 CB ARG A 83 -8.731 1.440 -0.257 1.00 1.00 C ATOM 1391 CG ARG A 83 -10.014 1.643 -1.072 1.00 1.00 C ATOM 1392 CD ARG A 83 -10.085 3.092 -1.565 1.00 1.00 C ATOM 1393 NE ARG A 83 -11.504 3.462 -1.832 1.00 1.00 N ATOM 1394 CZ ARG A 83 -12.119 4.304 -1.044 1.00 1.00 C ATOM 1395 NH1 ARG A 83 -12.753 3.866 0.012 1.00 1.00 N ATOM 1396 NH2 ARG A 83 -12.100 5.584 -1.314 1.00 1.00 N ATOM 0 H ARG A 83 -7.455 1.610 2.624 1.00 1.00 H new ATOM 0 HA ARG A 83 -10.017 1.970 1.386 1.00 1.00 H new ATOM 0 HB2 ARG A 83 -8.011 2.224 -0.491 1.00 1.00 H new ATOM 0 HB3 ARG A 83 -8.266 0.491 -0.523 1.00 1.00 H new ATOM 0 HG2 ARG A 83 -10.030 0.958 -1.920 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -10.886 1.413 -0.460 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -9.659 3.762 -0.818 1.00 1.00 H new ATOM 0 HD3 ARG A 83 -9.492 3.207 -2.472 1.00 1.00 H new ATOM 0 HE ARG A 83 -11.995 3.058 -2.630 1.00 1.00 H new ATOM 0 HH11 ARG A 83 -12.767 2.868 0.221 1.00 1.00 H new ATOM 0 HH12 ARG A 83 -13.233 4.523 0.627 1.00 1.00 H new ATOM 0 HH21 ARG A 83 -11.606 5.924 -2.139 1.00 1.00 H new ATOM 0 HH22 ARG A 83 -12.580 6.242 -0.700 1.00 1.00 H new ATOM 1498 N VAL A 89 -3.855 -2.355 -3.908 1.00 1.00 N ATOM 1499 CA VAL A 89 -3.376 -3.232 -2.792 1.00 1.00 C ATOM 1500 C VAL A 89 -3.598 -4.712 -3.145 1.00 1.00 C ATOM 1501 O VAL A 89 -2.790 -5.555 -2.811 1.00 1.00 O ATOM 1502 CB VAL A 89 -4.123 -2.888 -1.495 1.00 1.00 C ATOM 1503 CG1 VAL A 89 -3.594 -3.761 -0.357 1.00 1.00 C ATOM 1504 CG2 VAL A 89 -3.891 -1.415 -1.138 1.00 1.00 C ATOM 0 HA VAL A 89 -2.310 -3.060 -2.646 1.00 1.00 H new ATOM 0 HB VAL A 89 -5.188 -3.067 -1.639 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -4.123 -3.518 0.564 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -3.753 -4.812 -0.600 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -2.528 -3.577 -0.222 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -4.423 -1.176 -0.217 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -2.825 -1.238 -0.998 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -4.260 -0.782 -1.945 1.00 1.00 H new ATOM 1514 N GLU A 90 -4.677 -5.039 -3.821 1.00 1.00 N ATOM 1515 CA GLU A 90 -4.920 -6.472 -4.193 1.00 1.00 C ATOM 1516 C GLU A 90 -3.831 -6.935 -5.174 1.00 1.00 C ATOM 1517 O GLU A 90 -3.412 -8.078 -5.147 1.00 1.00 O ATOM 1518 CB GLU A 90 -6.307 -6.629 -4.834 1.00 1.00 C ATOM 1519 CG GLU A 90 -6.406 -5.778 -6.104 1.00 1.00 C ATOM 1520 CD GLU A 90 -7.703 -6.106 -6.850 1.00 1.00 C ATOM 1521 OE1 GLU A 90 -8.758 -5.725 -6.365 1.00 1.00 O ATOM 1522 OE2 GLU A 90 -7.620 -6.729 -7.896 1.00 1.00 O ATOM 0 H GLU A 90 -5.394 -4.382 -4.129 1.00 1.00 H new ATOM 0 HA GLU A 90 -4.884 -7.087 -3.293 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -6.487 -7.677 -5.075 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -7.079 -6.328 -4.125 1.00 1.00 H new ATOM 0 HG2 GLU A 90 -6.382 -4.719 -5.846 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -5.547 -5.968 -6.748 1.00 1.00 H new ATOM 1529 N TRP A 91 -3.367 -6.050 -6.032 1.00 1.00 N ATOM 1530 CA TRP A 91 -2.300 -6.415 -7.016 1.00 1.00 C ATOM 1531 C TRP A 91 -1.005 -6.746 -6.266 1.00 1.00 C ATOM 1532 O TRP A 91 -0.445 -7.817 -6.420 1.00 1.00 O ATOM 1533 CB TRP A 91 -2.052 -5.227 -7.955 1.00 1.00 C ATOM 1534 CG TRP A 91 -2.742 -5.460 -9.262 1.00 1.00 C ATOM 1535 CD1 TRP A 91 -4.045 -5.792 -9.409 1.00 1.00 C ATOM 1536 CD2 TRP A 91 -2.186 -5.378 -10.606 1.00 1.00 C ATOM 1537 NE1 TRP A 91 -4.324 -5.924 -10.756 1.00 1.00 N ATOM 1538 CE2 TRP A 91 -3.209 -5.678 -11.535 1.00 1.00 C ATOM 1539 CE3 TRP A 91 -0.906 -5.077 -11.102 1.00 1.00 C ATOM 1540 CZ2 TRP A 91 -2.971 -5.679 -12.909 1.00 1.00 C ATOM 1541 CZ3 TRP A 91 -0.662 -5.077 -12.485 1.00 1.00 C ATOM 1542 CH2 TRP A 91 -1.692 -5.378 -13.386 1.00 1.00 C ATOM 0 H TRP A 91 -3.687 -5.083 -6.090 1.00 1.00 H new ATOM 0 HA TRP A 91 -2.618 -7.283 -7.594 1.00 1.00 H new ATOM 0 HB2 TRP A 91 -2.420 -4.308 -7.498 1.00 1.00 H new ATOM 0 HB3 TRP A 91 -0.982 -5.097 -8.117 1.00 1.00 H new ATOM 0 HD1 TRP A 91 -4.752 -5.931 -8.605 1.00 1.00 H new ATOM 0 HE1 TRP A 91 -5.240 -6.172 -11.129 1.00 1.00 H new ATOM 0 HE3 TRP A 91 -0.105 -4.844 -10.416 1.00 1.00 H new ATOM 0 HZ2 TRP A 91 -3.769 -5.911 -13.599 1.00 1.00 H new ATOM 0 HZ3 TRP A 91 0.325 -4.844 -12.856 1.00 1.00 H new ATOM 0 HH2 TRP A 91 -1.498 -5.377 -14.448 1.00 1.00 H new ATOM 1553 N LEU A 92 -0.533 -5.829 -5.452 1.00 1.00 N ATOM 1554 CA LEU A 92 0.726 -6.064 -4.671 1.00 1.00 C ATOM 1555 C LEU A 92 0.538 -7.258 -3.720 1.00 1.00 C ATOM 1556 O LEU A 92 1.462 -8.012 -3.476 1.00 1.00 O ATOM 1557 CB LEU A 92 1.091 -4.805 -3.864 1.00 1.00 C ATOM 1558 CG LEU A 92 -0.141 -4.257 -3.124 1.00 1.00 C ATOM 1559 CD1 LEU A 92 -0.177 -4.798 -1.692 1.00 1.00 C ATOM 1560 CD2 LEU A 92 -0.071 -2.726 -3.091 1.00 1.00 C ATOM 0 H LEU A 92 -0.970 -4.921 -5.294 1.00 1.00 H new ATOM 0 HA LEU A 92 1.536 -6.286 -5.366 1.00 1.00 H new ATOM 0 HB2 LEU A 92 1.877 -5.042 -3.147 1.00 1.00 H new ATOM 0 HB3 LEU A 92 1.489 -4.042 -4.532 1.00 1.00 H new ATOM 0 HG LEU A 92 -1.044 -4.574 -3.646 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -1.053 -4.404 -1.176 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -0.229 -5.887 -1.715 1.00 1.00 H new ATOM 0 HD13 LEU A 92 0.725 -4.489 -1.163 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -0.942 -2.333 -2.567 1.00 1.00 H new ATOM 0 HD22 LEU A 92 0.835 -2.414 -2.572 1.00 1.00 H new ATOM 0 HD23 LEU A 92 -0.056 -2.340 -4.110 1.00 1.00 H new ATOM 1572 N LYS A 93 -0.653 -7.432 -3.188 1.00 1.00 N ATOM 1573 CA LYS A 93 -0.919 -8.575 -2.257 1.00 1.00 C ATOM 1574 C LYS A 93 -0.684 -9.902 -2.994 1.00 1.00 C ATOM 1575 O LYS A 93 0.030 -10.772 -2.516 1.00 1.00 O ATOM 1576 CB LYS A 93 -2.373 -8.502 -1.775 1.00 1.00 C ATOM 1577 CG LYS A 93 -2.437 -7.748 -0.443 1.00 1.00 C ATOM 1578 CD LYS A 93 -3.866 -7.252 -0.198 1.00 1.00 C ATOM 1579 CE LYS A 93 -4.589 -8.210 0.755 1.00 1.00 C ATOM 1580 NZ LYS A 93 -4.434 -7.732 2.159 1.00 1.00 N ATOM 0 H LYS A 93 -1.455 -6.826 -3.362 1.00 1.00 H new ATOM 0 HA LYS A 93 -0.247 -8.517 -1.401 1.00 1.00 H new ATOM 0 HB2 LYS A 93 -2.988 -7.997 -2.520 1.00 1.00 H new ATOM 0 HB3 LYS A 93 -2.778 -9.507 -1.655 1.00 1.00 H new ATOM 0 HG2 LYS A 93 -2.124 -8.402 0.371 1.00 1.00 H new ATOM 0 HG3 LYS A 93 -1.747 -6.905 -0.458 1.00 1.00 H new ATOM 0 HD2 LYS A 93 -3.845 -6.248 0.227 1.00 1.00 H new ATOM 0 HD3 LYS A 93 -4.406 -7.187 -1.143 1.00 1.00 H new ATOM 0 HE2 LYS A 93 -5.646 -8.269 0.495 1.00 1.00 H new ATOM 0 HE3 LYS A 93 -4.180 -9.215 0.655 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 -4.925 -8.384 2.804 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 -3.424 -7.698 2.405 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 -4.844 -6.781 2.249 1.00 1.00 H new ATOM 1594 N ARG A 94 -1.270 -10.051 -4.164 1.00 1.00 N ATOM 1595 CA ARG A 94 -1.086 -11.307 -4.961 1.00 1.00 C ATOM 1596 C ARG A 94 0.408 -11.541 -5.211 1.00 1.00 C ATOM 1597 O ARG A 94 0.880 -12.663 -5.188 1.00 1.00 O ATOM 1598 CB ARG A 94 -1.806 -11.165 -6.306 1.00 1.00 C ATOM 1599 CG ARG A 94 -3.319 -11.258 -6.093 1.00 1.00 C ATOM 1600 CD ARG A 94 -3.804 -12.660 -6.467 1.00 1.00 C ATOM 1601 NE ARG A 94 -5.159 -12.570 -7.080 1.00 1.00 N ATOM 1602 CZ ARG A 94 -6.213 -12.921 -6.394 1.00 1.00 C ATOM 1603 NH1 ARG A 94 -6.801 -12.055 -5.610 1.00 1.00 N ATOM 1604 NH2 ARG A 94 -6.679 -14.140 -6.491 1.00 1.00 N ATOM 0 H ARG A 94 -1.870 -9.351 -4.601 1.00 1.00 H new ATOM 0 HA ARG A 94 -1.500 -12.151 -4.409 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -1.552 -10.210 -6.767 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -1.477 -11.947 -6.990 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -3.564 -11.043 -5.053 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -3.829 -10.511 -6.702 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -3.107 -13.123 -7.166 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -3.835 -13.294 -5.581 1.00 1.00 H new ATOM 0 HE ARG A 94 -5.263 -12.234 -8.037 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -6.436 -11.105 -5.535 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -7.624 -12.329 -5.074 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -6.219 -14.815 -7.102 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -7.502 -14.415 -5.956 1.00 1.00 H new ATOM 1618 N LYS A 95 1.149 -10.480 -5.443 1.00 1.00 N ATOM 1619 CA LYS A 95 2.617 -10.605 -5.691 1.00 1.00 C ATOM 1620 C LYS A 95 3.318 -11.155 -4.441 1.00 1.00 C ATOM 1621 O LYS A 95 4.293 -11.878 -4.548 1.00 1.00 O ATOM 1622 CB LYS A 95 3.197 -9.232 -6.042 1.00 1.00 C ATOM 1623 CG LYS A 95 2.761 -8.842 -7.456 1.00 1.00 C ATOM 1624 CD LYS A 95 3.180 -7.397 -7.741 1.00 1.00 C ATOM 1625 CE LYS A 95 3.555 -7.257 -9.218 1.00 1.00 C ATOM 1626 NZ LYS A 95 4.066 -5.881 -9.477 1.00 1.00 N ATOM 0 H LYS A 95 0.792 -9.525 -5.471 1.00 1.00 H new ATOM 0 HA LYS A 95 2.780 -11.292 -6.521 1.00 1.00 H new ATOM 0 HB2 LYS A 95 2.854 -8.486 -5.325 1.00 1.00 H new ATOM 0 HB3 LYS A 95 4.285 -9.258 -5.979 1.00 1.00 H new ATOM 0 HG2 LYS A 95 3.214 -9.513 -8.186 1.00 1.00 H new ATOM 0 HG3 LYS A 95 1.680 -8.945 -7.556 1.00 1.00 H new ATOM 0 HD2 LYS A 95 2.365 -6.716 -7.495 1.00 1.00 H new ATOM 0 HD3 LYS A 95 4.027 -7.122 -7.112 1.00 1.00 H new ATOM 0 HE2 LYS A 95 4.314 -7.993 -9.482 1.00 1.00 H new ATOM 0 HE3 LYS A 95 2.686 -7.457 -9.845 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 4.320 -5.788 -10.481 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 3.329 -5.187 -9.241 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 4.906 -5.707 -8.890 1.00 1.00 H new ATOM 1640 N GLY A 96 2.833 -10.824 -3.261 1.00 1.00 N ATOM 1641 CA GLY A 96 3.475 -11.336 -2.014 1.00 1.00 C ATOM 1642 C GLY A 96 3.322 -12.856 -1.958 1.00 1.00 C ATOM 1643 O GLY A 96 4.259 -13.571 -1.651 1.00 1.00 O ATOM 0 H GLY A 96 2.022 -10.223 -3.115 1.00 1.00 H new ATOM 0 HA2 GLY A 96 4.530 -11.064 -1.996 1.00 1.00 H new ATOM 0 HA3 GLY A 96 3.013 -10.879 -1.139 1.00 1.00 H new ATOM 1647 N TYR A 97 2.144 -13.349 -2.263 1.00 1.00 N ATOM 1648 CA TYR A 97 1.907 -14.832 -2.241 1.00 1.00 C ATOM 1649 C TYR A 97 2.746 -15.505 -3.336 1.00 1.00 C ATOM 1650 O TYR A 97 3.273 -16.586 -3.140 1.00 1.00 O ATOM 1651 CB TYR A 97 0.419 -15.144 -2.478 1.00 1.00 C ATOM 1652 CG TYR A 97 -0.455 -14.084 -1.839 1.00 1.00 C ATOM 1653 CD1 TYR A 97 -0.129 -13.561 -0.580 1.00 1.00 C ATOM 1654 CD2 TYR A 97 -1.583 -13.617 -2.519 1.00 1.00 C ATOM 1655 CE1 TYR A 97 -0.933 -12.573 -0.004 1.00 1.00 C ATOM 1656 CE2 TYR A 97 -2.388 -12.630 -1.944 1.00 1.00 C ATOM 1657 CZ TYR A 97 -2.064 -12.106 -0.686 1.00 1.00 C ATOM 1658 OH TYR A 97 -2.864 -11.137 -0.116 1.00 1.00 O ATOM 0 H TYR A 97 1.334 -12.788 -2.527 1.00 1.00 H new ATOM 0 HA TYR A 97 2.198 -15.216 -1.263 1.00 1.00 H new ATOM 0 HB2 TYR A 97 0.218 -15.193 -3.548 1.00 1.00 H new ATOM 0 HB3 TYR A 97 0.176 -16.122 -2.063 1.00 1.00 H new ATOM 0 HD1 TYR A 97 0.743 -13.921 -0.055 1.00 1.00 H new ATOM 0 HD2 TYR A 97 -1.833 -14.019 -3.490 1.00 1.00 H new ATOM 0 HE1 TYR A 97 -0.682 -12.170 0.966 1.00 1.00 H new ATOM 0 HE2 TYR A 97 -3.260 -12.271 -2.470 1.00 1.00 H new ATOM 0 HH TYR A 97 -3.721 -11.101 -0.589 1.00 1.00 H new ATOM 1668 N LEU A 98 2.877 -14.869 -4.481 1.00 1.00 N ATOM 1669 CA LEU A 98 3.684 -15.454 -5.594 1.00 1.00 C ATOM 1670 C LEU A 98 5.136 -15.624 -5.129 1.00 1.00 C ATOM 1671 O LEU A 98 5.741 -16.662 -5.322 1.00 1.00 O ATOM 1672 CB LEU A 98 3.626 -14.508 -6.808 1.00 1.00 C ATOM 1673 CG LEU A 98 4.363 -15.117 -8.011 1.00 1.00 C ATOM 1674 CD1 LEU A 98 5.866 -14.863 -7.875 1.00 1.00 C ATOM 1675 CD2 LEU A 98 4.102 -16.625 -8.080 1.00 1.00 C ATOM 0 H LEU A 98 2.455 -13.964 -4.689 1.00 1.00 H new ATOM 0 HA LEU A 98 3.283 -16.427 -5.877 1.00 1.00 H new ATOM 0 HB2 LEU A 98 2.587 -14.313 -7.073 1.00 1.00 H new ATOM 0 HB3 LEU A 98 4.074 -13.549 -6.549 1.00 1.00 H new ATOM 0 HG LEU A 98 3.996 -14.650 -8.925 1.00 1.00 H new ATOM 0 HD11 LEU A 98 6.387 -15.296 -8.729 1.00 1.00 H new ATOM 0 HD12 LEU A 98 6.052 -13.790 -7.842 1.00 1.00 H new ATOM 0 HD13 LEU A 98 6.231 -15.323 -6.957 1.00 1.00 H new ATOM 0 HD21 LEU A 98 4.629 -17.047 -8.936 1.00 1.00 H new ATOM 0 HD22 LEU A 98 4.459 -17.098 -7.165 1.00 1.00 H new ATOM 0 HD23 LEU A 98 3.032 -16.805 -8.188 1.00 1.00 H new ATOM 1687 N ASP A 99 5.690 -14.610 -4.510 1.00 1.00 N ATOM 1688 CA ASP A 99 7.100 -14.693 -4.015 1.00 1.00 C ATOM 1689 C ASP A 99 7.205 -15.752 -2.905 1.00 1.00 C ATOM 1690 O ASP A 99 8.209 -16.430 -2.784 1.00 1.00 O ATOM 1691 CB ASP A 99 7.526 -13.328 -3.462 1.00 1.00 C ATOM 1692 CG ASP A 99 9.039 -13.316 -3.218 1.00 1.00 C ATOM 1693 OD1 ASP A 99 9.772 -13.067 -4.162 1.00 1.00 O ATOM 1694 OD2 ASP A 99 9.439 -13.555 -2.089 1.00 1.00 O ATOM 0 H ASP A 99 5.223 -13.722 -4.325 1.00 1.00 H new ATOM 0 HA ASP A 99 7.754 -14.975 -4.840 1.00 1.00 H new ATOM 0 HB2 ASP A 99 7.256 -12.540 -4.165 1.00 1.00 H new ATOM 0 HB3 ASP A 99 6.997 -13.121 -2.532 1.00 1.00 H new ATOM 1699 N GLU A 100 6.177 -15.891 -2.094 1.00 1.00 N ATOM 1700 CA GLU A 100 6.206 -16.898 -0.983 1.00 1.00 C ATOM 1701 C GLU A 100 6.386 -18.312 -1.555 1.00 1.00 C ATOM 1702 O GLU A 100 7.302 -19.021 -1.180 1.00 1.00 O ATOM 1703 CB GLU A 100 4.895 -16.827 -0.193 1.00 1.00 C ATOM 1704 CG GLU A 100 4.983 -15.714 0.855 1.00 1.00 C ATOM 1705 CD GLU A 100 3.573 -15.298 1.290 1.00 1.00 C ATOM 1706 OE1 GLU A 100 2.924 -16.080 1.967 1.00 1.00 O ATOM 1707 OE2 GLU A 100 3.166 -14.201 0.942 1.00 1.00 O ATOM 0 H GLU A 100 5.317 -15.347 -2.156 1.00 1.00 H new ATOM 0 HA GLU A 100 7.044 -16.674 -0.322 1.00 1.00 H new ATOM 0 HB2 GLU A 100 4.062 -16.638 -0.869 1.00 1.00 H new ATOM 0 HB3 GLU A 100 4.700 -17.783 0.293 1.00 1.00 H new ATOM 0 HG2 GLU A 100 5.553 -16.059 1.718 1.00 1.00 H new ATOM 0 HG3 GLU A 100 5.515 -14.856 0.444 1.00 1.00 H new