USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 767 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 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 62:sc= 1.16 USER MOD Single : A 46 ASN : amide:sc= -1.04 K(o=-1,f=-0.017) USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= -0.0203 (180deg=-0.245) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -136:sc= 0.739 (180deg=-0.403) USER MOD Single : A 59 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0433) USER MOD Single : A 61 GLN : amide:sc= 0.144 K(o=0.14,f=-5.8!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0.32) USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 73 GLN : amide:sc= 0.563 K(o=0.56,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.0181 X(o=-0.018,f=0) USER MOD Single : A 80 THR OG1 : rot -100:sc= 0.966 USER MOD Single : A 83 SER OG : rot 180:sc= 0.135 USER MOD Single : A 84 SER OG : rot 180:sc= -1.74! USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -5.17! C(o=-5.2!,f=-12!) USER MOD Single : A 99 LYS NZ :NH3+ -161:sc= 1.29 (180deg=0.926) USER MOD Single : A 102 SER OG : rot -18:sc= 1.22 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot -30:sc= -0.0378 USER MOD Single : A 114 ASN : amide:sc= -1.58 K(o=-1.6,f=-0.52) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot -100:sc= 0.653 USER MOD ----------------------------------------------------------------- ATOM 507 N TRP A 37 0.558 3.068 8.953 1.00 0.00 N ATOM 508 CA TRP A 37 0.492 3.889 7.751 1.00 0.00 C ATOM 509 C TRP A 37 -0.849 3.742 7.036 1.00 0.00 C ATOM 510 O TRP A 37 -1.322 4.690 6.413 1.00 0.00 O ATOM 511 CB TRP A 37 1.670 3.598 6.800 1.00 0.00 C ATOM 512 CG TRP A 37 1.912 2.149 6.482 1.00 0.00 C ATOM 513 CD1 TRP A 37 2.145 1.130 7.363 1.00 0.00 C ATOM 514 CD2 TRP A 37 2.007 1.572 5.175 1.00 0.00 C ATOM 515 NE1 TRP A 37 2.354 -0.045 6.683 1.00 0.00 N ATOM 516 CE2 TRP A 37 2.279 0.202 5.340 1.00 0.00 C ATOM 517 CE3 TRP A 37 1.884 2.084 3.882 1.00 0.00 C ATOM 518 CZ2 TRP A 37 2.424 -0.662 4.258 1.00 0.00 C ATOM 519 CZ3 TRP A 37 2.032 1.228 2.811 1.00 0.00 C ATOM 520 CH2 TRP A 37 2.303 -0.132 3.004 1.00 0.00 C ATOM 0 HA TRP A 37 0.576 4.928 8.070 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.498 4.132 5.865 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.578 4.010 7.240 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.162 1.234 8.438 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.535 -0.953 7.110 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.677 3.132 3.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.625 -1.713 4.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.937 1.613 1.806 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.419 -0.775 2.144 1.00 0.00 H new ATOM 531 N ARG A 38 -1.480 2.578 7.147 1.00 0.00 N ATOM 532 CA ARG A 38 -2.800 2.384 6.554 1.00 0.00 C ATOM 533 C ARG A 38 -3.839 3.209 7.300 1.00 0.00 C ATOM 534 O ARG A 38 -4.818 3.676 6.718 1.00 0.00 O ATOM 535 CB ARG A 38 -3.204 0.905 6.532 1.00 0.00 C ATOM 536 CG ARG A 38 -3.267 0.240 7.902 1.00 0.00 C ATOM 537 CD ARG A 38 -4.690 0.179 8.443 1.00 0.00 C ATOM 538 NE ARG A 38 -5.534 -0.740 7.677 1.00 0.00 N ATOM 539 CZ ARG A 38 -6.822 -0.974 7.938 1.00 0.00 C ATOM 540 NH1 ARG A 38 -7.438 -0.352 8.935 1.00 0.00 N1+ ATOM 541 NH2 ARG A 38 -7.491 -1.850 7.211 1.00 0.00 N ATOM 0 H ARG A 38 -1.106 1.764 7.635 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.751 2.724 5.519 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.180 0.816 6.055 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.495 0.358 5.910 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.862 -0.770 7.834 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.637 0.790 8.601 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.667 -0.136 9.486 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.129 1.177 8.420 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.110 -1.234 6.892 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.927 0.315 9.513 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.423 -0.541 9.123 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.023 -2.346 6.452 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.475 -2.031 7.408 1.00 0.00 H new ATOM 555 N SER A 39 -3.612 3.391 8.592 1.00 0.00 N ATOM 556 CA SER A 39 -4.490 4.201 9.415 1.00 0.00 C ATOM 557 C SER A 39 -4.324 5.670 9.042 1.00 0.00 C ATOM 558 O SER A 39 -5.286 6.446 9.056 1.00 0.00 O ATOM 559 CB SER A 39 -4.167 3.970 10.889 1.00 0.00 C ATOM 560 OG SER A 39 -4.060 2.581 11.161 1.00 0.00 O ATOM 0 H SER A 39 -2.822 2.985 9.093 1.00 0.00 H new ATOM 0 HA SER A 39 -5.528 3.916 9.243 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.233 4.470 11.146 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.946 4.410 11.512 1.00 0.00 H new ATOM 0 HG SER A 39 -3.851 2.448 12.109 1.00 0.00 H new ATOM 566 N ARG A 40 -3.097 6.045 8.684 1.00 0.00 N ATOM 567 CA ARG A 40 -2.825 7.368 8.188 1.00 0.00 C ATOM 568 C ARG A 40 -3.550 7.572 6.862 1.00 0.00 C ATOM 569 O ARG A 40 -4.166 8.613 6.619 1.00 0.00 O ATOM 570 CB ARG A 40 -1.331 7.541 7.965 1.00 0.00 C ATOM 571 CG ARG A 40 -0.429 7.131 9.114 1.00 0.00 C ATOM 572 CD ARG A 40 1.020 7.444 8.772 1.00 0.00 C ATOM 573 NE ARG A 40 1.974 6.868 9.718 1.00 0.00 N ATOM 574 CZ ARG A 40 3.111 7.465 10.078 1.00 0.00 C ATOM 575 NH1 ARG A 40 3.397 8.681 9.632 1.00 0.00 N1+ ATOM 576 NH2 ARG A 40 3.961 6.841 10.875 1.00 0.00 N ATOM 0 H ARG A 40 -2.279 5.438 8.733 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.171 8.099 8.919 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.047 6.964 7.085 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.138 8.589 7.736 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.720 7.659 10.022 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.542 6.066 9.315 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.239 7.070 7.772 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.154 8.525 8.744 1.00 0.00 H new ATOM 0 HE ARG A 40 1.758 5.958 10.126 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.746 9.163 9.012 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.268 9.134 9.910 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.747 5.903 11.214 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.831 7.297 11.151 1.00 0.00 H new ATOM 590 N ILE A 41 -3.453 6.560 6.002 1.00 0.00 N ATOM 591 CA ILE A 41 -4.129 6.564 4.713 1.00 0.00 C ATOM 592 C ILE A 41 -5.636 6.685 4.906 1.00 0.00 C ATOM 593 O ILE A 41 -6.309 7.383 4.153 1.00 0.00 O ATOM 594 CB ILE A 41 -3.812 5.275 3.912 1.00 0.00 C ATOM 595 CG1 ILE A 41 -2.342 5.255 3.492 1.00 0.00 C ATOM 596 CG2 ILE A 41 -4.720 5.146 2.695 1.00 0.00 C ATOM 597 CD1 ILE A 41 -1.930 3.983 2.781 1.00 0.00 C ATOM 0 H ILE A 41 -2.905 5.719 6.181 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.765 7.423 4.149 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.000 4.420 4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.148 6.105 2.838 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.719 5.385 4.377 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.474 4.233 2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.760 5.107 3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.576 6.006 2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.875 4.041 2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.091 3.130 3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.527 3.862 1.877 1.00 0.00 H new ATOM 609 N SER A 42 -6.153 6.012 5.933 1.00 0.00 N ATOM 610 CA SER A 42 -7.571 6.103 6.275 1.00 0.00 C ATOM 611 C SER A 42 -7.986 7.563 6.505 1.00 0.00 C ATOM 612 O SER A 42 -9.122 7.956 6.213 1.00 0.00 O ATOM 613 CB SER A 42 -7.870 5.265 7.522 1.00 0.00 C ATOM 614 OG SER A 42 -7.506 3.908 7.327 1.00 0.00 O ATOM 0 H SER A 42 -5.612 5.398 6.542 1.00 0.00 H new ATOM 0 HA SER A 42 -8.150 5.711 5.438 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.327 5.671 8.375 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.932 5.329 7.760 1.00 0.00 H new ATOM 0 HG SER A 42 -6.542 3.849 7.159 1.00 0.00 H new ATOM 620 N GLY A 43 -7.058 8.365 7.016 1.00 0.00 N ATOM 621 CA GLY A 43 -7.317 9.785 7.179 1.00 0.00 C ATOM 622 C GLY A 43 -7.429 10.492 5.842 1.00 0.00 C ATOM 623 O GLY A 43 -8.327 11.309 5.627 1.00 0.00 O ATOM 0 H GLY A 43 -6.134 8.059 7.320 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.239 9.924 7.743 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.515 10.236 7.763 1.00 0.00 H new ATOM 627 N ARG A 44 -6.532 10.153 4.930 1.00 0.00 N ATOM 628 CA ARG A 44 -6.524 10.723 3.602 1.00 0.00 C ATOM 629 C ARG A 44 -7.728 10.242 2.800 1.00 0.00 C ATOM 630 O ARG A 44 -8.243 10.952 1.944 1.00 0.00 O ATOM 631 CB ARG A 44 -5.234 10.346 2.893 1.00 0.00 C ATOM 632 CG ARG A 44 -4.134 11.379 3.017 1.00 0.00 C ATOM 633 CD ARG A 44 -3.679 11.542 4.453 1.00 0.00 C ATOM 634 NE ARG A 44 -2.675 12.596 4.574 1.00 0.00 N ATOM 635 CZ ARG A 44 -2.350 13.201 5.715 1.00 0.00 C ATOM 636 NH1 ARG A 44 -2.928 12.850 6.857 1.00 0.00 N1+ ATOM 637 NH2 ARG A 44 -1.435 14.159 5.713 1.00 0.00 N ATOM 0 H ARG A 44 -5.790 9.473 5.095 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.585 11.808 3.686 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.875 9.399 3.295 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.447 10.183 1.836 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.287 11.085 2.398 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.489 12.337 2.637 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.536 11.779 5.084 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.267 10.600 4.815 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.189 12.889 3.726 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.629 12.110 6.867 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.671 13.321 7.725 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.983 14.430 4.840 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.183 14.625 6.584 1.00 0.00 H new ATOM 651 N LEU A 45 -8.149 9.018 3.071 1.00 0.00 N ATOM 652 CA LEU A 45 -9.306 8.436 2.419 1.00 0.00 C ATOM 653 C LEU A 45 -10.557 9.244 2.768 1.00 0.00 C ATOM 654 O LEU A 45 -11.467 9.393 1.961 1.00 0.00 O ATOM 655 CB LEU A 45 -9.446 6.982 2.874 1.00 0.00 C ATOM 656 CG LEU A 45 -9.851 5.986 1.792 1.00 0.00 C ATOM 657 CD1 LEU A 45 -9.532 4.567 2.238 1.00 0.00 C ATOM 658 CD2 LEU A 45 -11.325 6.116 1.459 1.00 0.00 C ATOM 0 H LEU A 45 -7.698 8.402 3.748 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.182 8.459 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.496 6.661 3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.184 6.941 3.675 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.280 6.209 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.826 3.865 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.462 4.476 2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.080 4.341 3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.588 5.395 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.918 5.922 2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.529 7.125 1.100 1.00 0.00 H new ATOM 670 N ASN A 46 -10.558 9.792 3.978 1.00 0.00 N ATOM 671 CA ASN A 46 -11.662 10.615 4.473 1.00 0.00 C ATOM 672 C ASN A 46 -11.674 11.950 3.749 1.00 0.00 C ATOM 673 O ASN A 46 -12.728 12.553 3.543 1.00 0.00 O ATOM 674 CB ASN A 46 -11.539 10.846 5.984 1.00 0.00 C ATOM 675 CG ASN A 46 -12.687 11.663 6.570 1.00 0.00 C ATOM 676 OD1 ASN A 46 -12.487 12.450 7.496 1.00 0.00 O ATOM 677 ND2 ASN A 46 -13.897 11.466 6.062 1.00 0.00 N ATOM 0 H ASN A 46 -9.795 9.680 4.645 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.596 10.087 4.281 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.496 9.881 6.489 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.598 11.356 6.190 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -14.697 11.974 6.439 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -14.027 10.806 5.295 1.00 0.00 H new ATOM 684 N ARG A 47 -10.483 12.402 3.369 1.00 0.00 N ATOM 685 CA ARG A 47 -10.334 13.577 2.530 1.00 0.00 C ATOM 686 C ARG A 47 -11.178 13.427 1.270 1.00 0.00 C ATOM 687 O ARG A 47 -11.652 14.416 0.707 1.00 0.00 O ATOM 688 CB ARG A 47 -8.845 13.783 2.197 1.00 0.00 C ATOM 689 CG ARG A 47 -8.534 14.028 0.722 1.00 0.00 C ATOM 690 CD ARG A 47 -7.033 14.145 0.487 1.00 0.00 C ATOM 691 NE ARG A 47 -6.700 14.201 -0.940 1.00 0.00 N ATOM 692 CZ ARG A 47 -5.458 14.089 -1.426 1.00 0.00 C ATOM 693 NH1 ARG A 47 -4.423 13.972 -0.604 1.00 0.00 N1+ ATOM 694 NH2 ARG A 47 -5.247 14.111 -2.738 1.00 0.00 N ATOM 0 H ARG A 47 -9.601 11.964 3.634 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.689 14.461 3.061 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.474 14.629 2.775 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.291 12.904 2.527 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.936 13.211 0.122 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.029 14.941 0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.658 15.041 0.982 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.528 13.294 0.943 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.463 14.334 -1.604 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.571 13.967 0.405 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.479 13.887 -0.981 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.033 14.214 -3.379 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.299 14.025 -3.104 1.00 0.00 H new ATOM 708 N PHE A 48 -11.395 12.186 0.846 1.00 0.00 N ATOM 709 CA PHE A 48 -12.243 11.937 -0.297 1.00 0.00 C ATOM 710 C PHE A 48 -13.640 11.483 0.124 1.00 0.00 C ATOM 711 O PHE A 48 -14.634 12.120 -0.230 1.00 0.00 O ATOM 712 CB PHE A 48 -11.621 10.907 -1.234 1.00 0.00 C ATOM 713 CG PHE A 48 -10.418 11.405 -1.985 1.00 0.00 C ATOM 714 CD1 PHE A 48 -10.572 12.228 -3.087 1.00 0.00 C ATOM 715 CD2 PHE A 48 -9.139 11.042 -1.597 1.00 0.00 C ATOM 716 CE1 PHE A 48 -9.474 12.681 -3.791 1.00 0.00 C ATOM 717 CE2 PHE A 48 -8.035 11.489 -2.298 1.00 0.00 C ATOM 718 CZ PHE A 48 -8.204 12.312 -3.397 1.00 0.00 C ATOM 0 H PHE A 48 -10.997 11.351 1.276 1.00 0.00 H new ATOM 0 HA PHE A 48 -12.338 12.882 -0.831 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -11.336 10.030 -0.653 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -12.375 10.583 -1.951 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -11.564 12.520 -3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -9.003 10.403 -0.737 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.609 13.323 -4.649 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.043 11.196 -1.988 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.343 12.665 -3.946 1.00 0.00 H new ATOM 728 N LYS A 49 -13.707 10.400 0.890 1.00 0.00 N ATOM 729 CA LYS A 49 -14.976 9.848 1.348 1.00 0.00 C ATOM 730 C LYS A 49 -14.711 8.716 2.327 1.00 0.00 C ATOM 731 O LYS A 49 -14.110 7.710 1.966 1.00 0.00 O ATOM 732 CB LYS A 49 -15.802 9.321 0.161 1.00 0.00 C ATOM 733 CG LYS A 49 -17.309 9.401 0.372 1.00 0.00 C ATOM 734 CD LYS A 49 -17.855 8.203 1.138 1.00 0.00 C ATOM 735 CE LYS A 49 -18.078 7.004 0.226 1.00 0.00 C ATOM 736 NZ LYS A 49 -19.202 7.217 -0.727 1.00 0.00 N1+ ATOM 0 H LYS A 49 -12.888 9.883 1.209 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.543 10.638 1.840 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -15.540 9.889 -0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.526 8.284 -0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.549 10.315 0.915 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.805 9.466 -0.596 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.160 7.931 1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -18.795 8.475 1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.165 6.801 -0.333 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.282 6.122 0.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.504 6.302 -1.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.000 7.661 -0.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -18.889 7.838 -1.500 1.00 0.00 H new ATOM 750 N ARG A 50 -15.142 8.877 3.565 1.00 0.00 N ATOM 751 CA ARG A 50 -14.975 7.820 4.547 1.00 0.00 C ATOM 752 C ARG A 50 -16.269 7.601 5.311 1.00 0.00 C ATOM 753 O ARG A 50 -16.633 8.385 6.187 1.00 0.00 O ATOM 754 CB ARG A 50 -13.836 8.138 5.516 1.00 0.00 C ATOM 755 CG ARG A 50 -13.425 6.952 6.376 1.00 0.00 C ATOM 756 CD ARG A 50 -12.317 7.317 7.350 1.00 0.00 C ATOM 757 NE ARG A 50 -12.764 8.274 8.361 1.00 0.00 N ATOM 758 CZ ARG A 50 -11.950 9.093 9.026 1.00 0.00 C ATOM 759 NH1 ARG A 50 -10.650 9.110 8.754 1.00 0.00 N1+ ATOM 760 NH2 ARG A 50 -12.439 9.906 9.954 1.00 0.00 N ATOM 0 H ARG A 50 -15.604 9.717 3.912 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.718 6.905 4.014 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.972 8.483 4.948 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.140 8.960 6.165 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.290 6.588 6.930 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.091 6.137 5.735 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.956 6.414 7.842 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.476 7.739 6.800 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.761 8.317 8.570 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.272 8.495 8.034 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.030 9.738 9.265 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.438 9.904 10.158 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.816 10.533 10.463 1.00 0.00 H new ATOM 774 N TYR A 51 -16.954 6.532 4.960 1.00 0.00 N ATOM 775 CA TYR A 51 -18.193 6.158 5.613 1.00 0.00 C ATOM 776 C TYR A 51 -17.902 5.076 6.647 1.00 0.00 C ATOM 777 O TYR A 51 -17.036 4.232 6.417 1.00 0.00 O ATOM 778 CB TYR A 51 -19.171 5.637 4.560 1.00 0.00 C ATOM 779 CG TYR A 51 -20.596 6.096 4.771 1.00 0.00 C ATOM 780 CD1 TYR A 51 -20.920 7.447 4.719 1.00 0.00 C ATOM 781 CD2 TYR A 51 -21.616 5.188 5.010 1.00 0.00 C ATOM 782 CE1 TYR A 51 -22.217 7.878 4.905 1.00 0.00 C ATOM 783 CE2 TYR A 51 -22.919 5.613 5.199 1.00 0.00 C ATOM 784 CZ TYR A 51 -23.214 6.959 5.144 1.00 0.00 C ATOM 785 OH TYR A 51 -24.511 7.388 5.326 1.00 0.00 O ATOM 0 H TYR A 51 -16.668 5.898 4.214 1.00 0.00 H new ATOM 0 HA TYR A 51 -18.634 7.020 6.114 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -18.837 5.962 3.575 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -19.146 4.547 4.562 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -20.142 8.172 4.530 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -21.390 4.133 5.049 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -22.449 8.932 4.863 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -23.702 4.894 5.389 1.00 0.00 H new ATOM 0 HH TYR A 51 -25.092 6.615 5.483 1.00 0.00 H new ATOM 795 N PRO A 52 -18.589 5.101 7.804 1.00 0.00 N ATOM 796 CA PRO A 52 -18.411 4.092 8.861 1.00 0.00 C ATOM 797 C PRO A 52 -18.590 2.675 8.328 1.00 0.00 C ATOM 798 O PRO A 52 -19.561 2.388 7.630 1.00 0.00 O ATOM 799 CB PRO A 52 -19.516 4.426 9.864 1.00 0.00 C ATOM 800 CG PRO A 52 -19.799 5.871 9.646 1.00 0.00 C ATOM 801 CD PRO A 52 -19.585 6.118 8.179 1.00 0.00 C ATOM 0 HA PRO A 52 -17.409 4.119 9.290 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -20.404 3.818 9.692 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.193 4.236 10.887 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -20.820 6.117 9.938 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -19.136 6.493 10.247 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -20.509 6.003 7.613 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -19.219 7.127 7.991 1.00 0.00 H new ATOM 809 N LYS A 53 -17.659 1.790 8.681 1.00 0.00 N ATOM 810 CA LYS A 53 -17.601 0.449 8.099 1.00 0.00 C ATOM 811 C LYS A 53 -18.847 -0.369 8.406 1.00 0.00 C ATOM 812 O LYS A 53 -19.167 -1.297 7.670 1.00 0.00 O ATOM 813 CB LYS A 53 -16.361 -0.311 8.584 1.00 0.00 C ATOM 814 CG LYS A 53 -15.030 0.277 8.125 1.00 0.00 C ATOM 815 CD LYS A 53 -14.919 0.356 6.604 1.00 0.00 C ATOM 816 CE LYS A 53 -15.514 1.646 6.063 1.00 0.00 C ATOM 817 NZ LYS A 53 -14.751 2.836 6.520 1.00 0.00 N1+ ATOM 0 H LYS A 53 -16.931 1.978 9.370 1.00 0.00 H new ATOM 0 HA LYS A 53 -17.543 0.586 7.019 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.373 -0.340 9.674 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -16.425 -1.342 8.237 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -14.913 1.275 8.547 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.214 -0.332 8.514 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.871 0.288 6.312 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.431 -0.496 6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.521 1.615 4.973 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.551 1.732 6.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.414 3.579 6.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.142 2.572 7.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.162 3.191 5.740 1.00 0.00 H new ATOM 831 N ASP A 54 -19.547 -0.029 9.480 1.00 0.00 N ATOM 832 CA ASP A 54 -20.776 -0.735 9.833 1.00 0.00 C ATOM 833 C ASP A 54 -21.848 -0.514 8.778 1.00 0.00 C ATOM 834 O ASP A 54 -22.642 -1.407 8.496 1.00 0.00 O ATOM 835 CB ASP A 54 -21.282 -0.309 11.210 1.00 0.00 C ATOM 836 CG ASP A 54 -20.456 -0.906 12.326 1.00 0.00 C ATOM 837 OD1 ASP A 54 -20.594 -2.121 12.586 1.00 0.00 O ATOM 838 OD2 ASP A 54 -19.657 -0.167 12.940 1.00 0.00 O1- ATOM 0 H ASP A 54 -19.290 0.724 10.118 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.547 -1.800 9.873 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.260 0.778 11.284 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -22.322 -0.615 11.325 1.00 0.00 H new ATOM 843 N ALA A 55 -21.850 0.667 8.176 1.00 0.00 N ATOM 844 CA ALA A 55 -22.774 0.960 7.091 1.00 0.00 C ATOM 845 C ALA A 55 -22.413 0.141 5.861 1.00 0.00 C ATOM 846 O ALA A 55 -23.278 -0.259 5.085 1.00 0.00 O ATOM 847 CB ALA A 55 -22.767 2.444 6.775 1.00 0.00 C ATOM 0 H ALA A 55 -21.224 1.435 8.420 1.00 0.00 H new ATOM 0 HA ALA A 55 -23.782 0.686 7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -23.463 2.646 5.961 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -23.069 3.006 7.659 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.763 2.748 6.477 1.00 0.00 H new ATOM 853 N LEU A 56 -21.121 -0.122 5.706 1.00 0.00 N ATOM 854 CA LEU A 56 -20.631 -0.958 4.621 1.00 0.00 C ATOM 855 C LEU A 56 -20.972 -2.414 4.904 1.00 0.00 C ATOM 856 O LEU A 56 -21.365 -3.151 4.008 1.00 0.00 O ATOM 857 CB LEU A 56 -19.113 -0.797 4.435 1.00 0.00 C ATOM 858 CG LEU A 56 -18.645 0.524 3.806 1.00 0.00 C ATOM 859 CD1 LEU A 56 -19.355 0.777 2.491 1.00 0.00 C ATOM 860 CD2 LEU A 56 -18.859 1.696 4.750 1.00 0.00 C ATOM 0 H LEU A 56 -20.391 0.235 6.323 1.00 0.00 H new ATOM 0 HA LEU A 56 -21.116 -0.642 3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -18.635 -0.901 5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -18.754 -1.618 3.815 1.00 0.00 H new ATOM 0 HG LEU A 56 -17.576 0.433 3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -19.007 1.718 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -19.139 -0.037 1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -20.430 0.832 2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -18.517 2.615 4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -19.919 1.783 4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -18.294 1.532 5.668 1.00 0.00 H new ATOM 872 N ARG A 57 -20.829 -2.815 6.163 1.00 0.00 N ATOM 873 CA ARG A 57 -21.217 -4.151 6.600 1.00 0.00 C ATOM 874 C ARG A 57 -22.680 -4.433 6.264 1.00 0.00 C ATOM 875 O ARG A 57 -23.063 -5.573 6.008 1.00 0.00 O ATOM 876 CB ARG A 57 -21.004 -4.306 8.108 1.00 0.00 C ATOM 877 CG ARG A 57 -19.549 -4.251 8.535 1.00 0.00 C ATOM 878 CD ARG A 57 -19.410 -4.401 10.041 1.00 0.00 C ATOM 879 NE ARG A 57 -18.026 -4.627 10.444 1.00 0.00 N ATOM 880 CZ ARG A 57 -17.508 -4.239 11.608 1.00 0.00 C ATOM 881 NH1 ARG A 57 -18.231 -3.531 12.470 1.00 0.00 N1+ ATOM 882 NH2 ARG A 57 -16.256 -4.556 11.901 1.00 0.00 N ATOM 0 H ARG A 57 -20.444 -2.229 6.904 1.00 0.00 H new ATOM 0 HA ARG A 57 -20.589 -4.868 6.071 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -21.554 -3.519 8.625 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -21.430 -5.256 8.429 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -18.991 -5.043 8.035 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -19.111 -3.304 8.220 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -19.788 -3.504 10.531 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -20.027 -5.233 10.381 1.00 0.00 H new ATOM 0 HE ARG A 57 -17.414 -5.115 9.790 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -19.193 -3.279 12.243 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -17.824 -3.239 13.359 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.697 -5.093 11.238 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -15.850 -4.263 12.790 1.00 0.00 H new ATOM 896 N LEU A 58 -23.492 -3.384 6.263 1.00 0.00 N ATOM 897 CA LEU A 58 -24.913 -3.518 5.991 1.00 0.00 C ATOM 898 C LEU A 58 -25.230 -3.159 4.540 1.00 0.00 C ATOM 899 O LEU A 58 -26.391 -2.955 4.185 1.00 0.00 O ATOM 900 CB LEU A 58 -25.717 -2.611 6.929 1.00 0.00 C ATOM 901 CG LEU A 58 -25.417 -2.781 8.420 1.00 0.00 C ATOM 902 CD1 LEU A 58 -26.229 -1.794 9.244 1.00 0.00 C ATOM 903 CD2 LEU A 58 -25.692 -4.209 8.865 1.00 0.00 C ATOM 0 H LEU A 58 -23.187 -2.428 6.448 1.00 0.00 H new ATOM 0 HA LEU A 58 -25.191 -4.558 6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -25.529 -1.573 6.654 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -26.779 -2.797 6.765 1.00 0.00 H new ATOM 0 HG LEU A 58 -24.359 -2.573 8.582 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -26.002 -1.930 10.301 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -25.976 -0.776 8.946 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -27.292 -1.967 9.076 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -25.472 -4.308 9.928 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -26.740 -4.450 8.687 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -25.061 -4.894 8.299 1.00 0.00 H new ATOM 915 N LYS A 59 -24.202 -3.082 3.702 1.00 0.00 N ATOM 916 CA LYS A 59 -24.391 -2.694 2.311 1.00 0.00 C ATOM 917 C LYS A 59 -23.407 -3.428 1.397 1.00 0.00 C ATOM 918 O LYS A 59 -23.785 -4.360 0.685 1.00 0.00 O ATOM 919 CB LYS A 59 -24.249 -1.173 2.167 1.00 0.00 C ATOM 920 CG LYS A 59 -24.499 -0.659 0.761 1.00 0.00 C ATOM 921 CD LYS A 59 -24.443 0.861 0.706 1.00 0.00 C ATOM 922 CE LYS A 59 -25.450 1.497 1.658 1.00 0.00 C ATOM 923 NZ LYS A 59 -26.857 1.160 1.300 1.00 0.00 N1+ ATOM 0 H LYS A 59 -23.236 -3.282 3.960 1.00 0.00 H new ATOM 0 HA LYS A 59 -25.397 -2.979 2.004 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -24.946 -0.687 2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -23.245 -0.881 2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -23.756 -1.077 0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -25.474 -1.001 0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -23.438 1.198 0.961 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -24.643 1.196 -0.312 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -25.246 1.163 2.675 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -25.324 2.580 1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -27.508 1.694 1.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -27.031 1.409 0.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -27.015 0.141 1.434 1.00 0.00 H new ATOM 937 N ARG A 60 -22.145 -3.017 1.421 1.00 0.00 N ATOM 938 CA ARG A 60 -21.121 -3.659 0.618 1.00 0.00 C ATOM 939 C ARG A 60 -19.943 -4.058 1.490 1.00 0.00 C ATOM 940 O ARG A 60 -18.965 -3.326 1.618 1.00 0.00 O ATOM 941 CB ARG A 60 -20.659 -2.745 -0.523 1.00 0.00 C ATOM 942 CG ARG A 60 -21.740 -2.486 -1.561 1.00 0.00 C ATOM 943 CD ARG A 60 -22.291 -3.790 -2.107 1.00 0.00 C ATOM 944 NE ARG A 60 -23.332 -3.588 -3.111 1.00 0.00 N ATOM 945 CZ ARG A 60 -24.493 -4.239 -3.115 1.00 0.00 C ATOM 946 NH1 ARG A 60 -24.827 -5.009 -2.087 1.00 0.00 N1+ ATOM 947 NH2 ARG A 60 -25.332 -4.085 -4.131 1.00 0.00 N ATOM 0 H ARG A 60 -21.809 -2.240 1.990 1.00 0.00 H new ATOM 0 HA ARG A 60 -21.551 -4.557 0.174 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -20.330 -1.793 -0.106 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -19.795 -3.195 -1.012 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -22.547 -1.905 -1.114 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -21.331 -1.890 -2.377 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -21.477 -4.368 -2.545 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -22.695 -4.381 -1.285 1.00 0.00 H new ATOM 0 HE ARG A 60 -23.159 -2.909 -3.852 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -24.194 -5.102 -1.293 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -25.717 -5.507 -2.091 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -25.087 -3.469 -4.906 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -26.222 -4.582 -4.137 1.00 0.00 H new ATOM 961 N GLN A 61 -20.062 -5.216 2.106 1.00 0.00 N ATOM 962 CA GLN A 61 -19.006 -5.747 2.942 1.00 0.00 C ATOM 963 C GLN A 61 -18.120 -6.685 2.132 1.00 0.00 C ATOM 964 O GLN A 61 -18.576 -7.724 1.656 1.00 0.00 O ATOM 965 CB GLN A 61 -19.611 -6.473 4.146 1.00 0.00 C ATOM 966 CG GLN A 61 -20.624 -7.548 3.777 1.00 0.00 C ATOM 967 CD GLN A 61 -21.308 -8.156 4.985 1.00 0.00 C ATOM 968 OE1 GLN A 61 -20.744 -8.208 6.073 1.00 0.00 O ATOM 969 NE2 GLN A 61 -22.521 -8.649 4.791 1.00 0.00 N ATOM 0 H GLN A 61 -20.887 -5.812 2.042 1.00 0.00 H new ATOM 0 HA GLN A 61 -18.390 -4.926 3.308 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -18.807 -6.929 4.724 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -20.093 -5.741 4.794 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -21.378 -7.118 3.117 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -20.121 -8.336 3.216 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -22.956 -8.586 3.871 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -23.021 -9.092 5.562 1.00 0.00 H new ATOM 978 N GLY A 62 -16.862 -6.311 1.956 1.00 0.00 N ATOM 979 CA GLY A 62 -15.963 -7.133 1.180 1.00 0.00 C ATOM 980 C GLY A 62 -14.506 -6.945 1.543 1.00 0.00 C ATOM 981 O GLY A 62 -14.013 -5.825 1.599 1.00 0.00 O ATOM 0 H GLY A 62 -16.451 -5.458 2.335 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -16.231 -8.180 1.318 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.098 -6.906 0.122 1.00 0.00 H new ATOM 985 N VAL A 63 -13.815 -8.051 1.776 1.00 0.00 N ATOM 986 CA VAL A 63 -12.396 -8.018 2.081 1.00 0.00 C ATOM 987 C VAL A 63 -11.589 -8.449 0.859 1.00 0.00 C ATOM 988 O VAL A 63 -11.917 -9.438 0.194 1.00 0.00 O ATOM 989 CB VAL A 63 -12.055 -8.912 3.299 1.00 0.00 C ATOM 990 CG1 VAL A 63 -12.472 -10.357 3.062 1.00 0.00 C ATOM 991 CG2 VAL A 63 -10.573 -8.831 3.637 1.00 0.00 C ATOM 0 H VAL A 63 -14.219 -8.987 1.759 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.131 -6.993 2.341 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.622 -8.535 4.150 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -12.218 -10.957 3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.548 -10.402 2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.949 -10.748 2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.360 -9.468 4.496 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.986 -9.167 2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.310 -7.800 3.876 1.00 0.00 H new ATOM 1001 N GLY A 64 -10.554 -7.689 0.551 1.00 0.00 N ATOM 1002 CA GLY A 64 -9.771 -7.955 -0.631 1.00 0.00 C ATOM 1003 C GLY A 64 -8.437 -7.247 -0.602 1.00 0.00 C ATOM 1004 O GLY A 64 -8.210 -6.371 0.230 1.00 0.00 O ATOM 0 H GLY A 64 -10.241 -6.889 1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.609 -9.029 -0.723 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.329 -7.640 -1.513 1.00 0.00 H new ATOM 1008 N GLN A 65 -7.556 -7.614 -1.512 1.00 0.00 N ATOM 1009 CA GLN A 65 -6.252 -6.986 -1.594 1.00 0.00 C ATOM 1010 C GLN A 65 -6.263 -5.959 -2.711 1.00 0.00 C ATOM 1011 O GLN A 65 -6.816 -6.203 -3.785 1.00 0.00 O ATOM 1012 CB GLN A 65 -5.164 -8.028 -1.864 1.00 0.00 C ATOM 1013 CG GLN A 65 -4.970 -9.032 -0.736 1.00 0.00 C ATOM 1014 CD GLN A 65 -3.857 -10.025 -1.025 1.00 0.00 C ATOM 1015 OE1 GLN A 65 -4.084 -11.074 -1.626 1.00 0.00 O ATOM 1016 NE2 GLN A 65 -2.647 -9.706 -0.590 1.00 0.00 N ATOM 0 H GLN A 65 -7.720 -8.344 -2.205 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.034 -6.500 -0.643 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.412 -8.568 -2.778 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.220 -7.513 -2.044 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.745 -8.497 0.187 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.902 -9.573 -0.572 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.498 -8.826 -0.095 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.864 -10.340 -0.750 1.00 0.00 H new ATOM 1025 N VAL A 66 -5.671 -4.811 -2.456 1.00 0.00 N ATOM 1026 CA VAL A 66 -5.688 -3.718 -3.408 1.00 0.00 C ATOM 1027 C VAL A 66 -4.270 -3.207 -3.660 1.00 0.00 C ATOM 1028 O VAL A 66 -3.610 -2.691 -2.762 1.00 0.00 O ATOM 1029 CB VAL A 66 -6.620 -2.596 -2.886 1.00 0.00 C ATOM 1030 CG1 VAL A 66 -6.451 -1.291 -3.636 1.00 0.00 C ATOM 1031 CG2 VAL A 66 -8.068 -3.045 -2.973 1.00 0.00 C ATOM 0 H VAL A 66 -5.169 -4.609 -1.592 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.078 -4.069 -4.363 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.340 -2.411 -1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.130 -0.544 -3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.423 -0.943 -3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.678 -1.446 -4.691 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.718 -2.251 -2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.319 -3.267 -4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.209 -3.940 -2.367 1.00 0.00 H new ATOM 1041 N ARG A 67 -3.798 -3.395 -4.885 1.00 0.00 N ATOM 1042 CA ARG A 67 -2.449 -2.996 -5.265 1.00 0.00 C ATOM 1043 C ARG A 67 -2.522 -1.721 -6.086 1.00 0.00 C ATOM 1044 O ARG A 67 -3.223 -1.677 -7.091 1.00 0.00 O ATOM 1045 CB ARG A 67 -1.770 -4.103 -6.086 1.00 0.00 C ATOM 1046 CG ARG A 67 -0.294 -3.844 -6.340 1.00 0.00 C ATOM 1047 CD ARG A 67 0.282 -4.808 -7.364 1.00 0.00 C ATOM 1048 NE ARG A 67 -0.252 -4.563 -8.704 1.00 0.00 N ATOM 1049 CZ ARG A 67 0.311 -5.016 -9.827 1.00 0.00 C ATOM 1050 NH1 ARG A 67 1.425 -5.737 -9.774 1.00 0.00 N1+ ATOM 1051 NH2 ARG A 67 -0.236 -4.734 -11.002 1.00 0.00 N ATOM 0 H ARG A 67 -4.334 -3.825 -5.638 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.860 -2.825 -4.364 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.880 -5.053 -5.563 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.284 -4.204 -7.042 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.160 -2.820 -6.689 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.257 -3.936 -5.404 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.368 -4.712 -7.383 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.058 -5.832 -7.065 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.107 -4.012 -8.785 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.854 -5.947 -8.873 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.851 -6.081 -10.634 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.086 -4.172 -11.047 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.193 -5.079 -11.860 1.00 0.00 H new ATOM 1065 N PHE A 68 -1.811 -0.691 -5.674 1.00 0.00 N ATOM 1066 CA PHE A 68 -1.923 0.592 -6.339 1.00 0.00 C ATOM 1067 C PHE A 68 -0.598 1.336 -6.402 1.00 0.00 C ATOM 1068 O PHE A 68 0.322 1.077 -5.628 1.00 0.00 O ATOM 1069 CB PHE A 68 -2.989 1.470 -5.665 1.00 0.00 C ATOM 1070 CG PHE A 68 -3.030 1.392 -4.164 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -1.874 1.451 -3.402 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -4.246 1.264 -3.517 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -1.935 1.388 -2.023 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -4.314 1.202 -2.142 1.00 0.00 C ATOM 1075 CZ PHE A 68 -3.159 1.260 -1.393 1.00 0.00 C ATOM 0 H PHE A 68 -1.157 -0.715 -4.892 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.228 0.382 -7.364 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.818 2.507 -5.954 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.967 1.188 -6.054 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.916 1.547 -3.891 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.155 1.212 -4.098 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.028 1.439 -1.438 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.272 1.108 -1.652 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.210 1.206 -0.316 1.00 0.00 H new ATOM 1085 N THR A 69 -0.521 2.234 -7.368 1.00 0.00 N ATOM 1086 CA THR A 69 0.593 3.149 -7.512 1.00 0.00 C ATOM 1087 C THR A 69 0.136 4.531 -7.088 1.00 0.00 C ATOM 1088 O THR A 69 -0.863 5.045 -7.592 1.00 0.00 O ATOM 1089 CB THR A 69 1.093 3.178 -8.964 1.00 0.00 C ATOM 1090 OG1 THR A 69 1.312 1.838 -9.420 1.00 0.00 O ATOM 1091 CG2 THR A 69 2.384 3.965 -9.074 1.00 0.00 C ATOM 0 H THR A 69 -1.240 2.348 -8.082 1.00 0.00 H new ATOM 0 HA THR A 69 1.420 2.817 -6.884 1.00 0.00 H new ATOM 0 HB THR A 69 0.337 3.663 -9.581 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.629 1.856 -10.347 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.719 3.972 -10.111 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.215 4.989 -8.741 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.147 3.501 -8.449 1.00 0.00 H new ATOM 1099 N LEU A 70 0.846 5.109 -6.139 1.00 0.00 N ATOM 1100 CA LEU A 70 0.395 6.325 -5.494 1.00 0.00 C ATOM 1101 C LEU A 70 1.345 7.486 -5.742 1.00 0.00 C ATOM 1102 O LEU A 70 2.557 7.302 -5.885 1.00 0.00 O ATOM 1103 CB LEU A 70 0.252 6.062 -4.004 1.00 0.00 C ATOM 1104 CG LEU A 70 -0.644 4.871 -3.670 1.00 0.00 C ATOM 1105 CD1 LEU A 70 -0.532 4.516 -2.198 1.00 0.00 C ATOM 1106 CD2 LEU A 70 -2.087 5.180 -4.045 1.00 0.00 C ATOM 0 H LEU A 70 1.739 4.755 -5.797 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.567 6.610 -5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.241 5.891 -3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.152 6.954 -3.524 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.314 4.010 -4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.177 3.665 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.501 4.258 -1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.839 5.370 -1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.717 4.324 -3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.429 6.052 -3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.149 5.385 -5.114 1.00 0.00 H new ATOM 1118 N ASP A 71 0.763 8.676 -5.806 1.00 0.00 N ATOM 1119 CA ASP A 71 1.504 9.900 -6.072 1.00 0.00 C ATOM 1120 C ASP A 71 2.029 10.524 -4.783 1.00 0.00 C ATOM 1121 O ASP A 71 1.556 10.206 -3.693 1.00 0.00 O ATOM 1122 CB ASP A 71 0.602 10.905 -6.808 1.00 0.00 C ATOM 1123 CG ASP A 71 1.277 12.248 -7.043 1.00 0.00 C ATOM 1124 OD1 ASP A 71 2.274 12.299 -7.793 1.00 0.00 O1- ATOM 1125 OD2 ASP A 71 0.826 13.249 -6.444 1.00 0.00 O ATOM 0 H ASP A 71 -0.238 8.819 -5.675 1.00 0.00 H new ATOM 0 HA ASP A 71 2.360 9.648 -6.698 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.303 10.482 -7.767 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.309 11.059 -6.230 1.00 0.00 H new ATOM 1130 N ARG A 72 3.006 11.402 -4.928 1.00 0.00 N ATOM 1131 CA ARG A 72 3.557 12.185 -3.820 1.00 0.00 C ATOM 1132 C ARG A 72 2.450 12.844 -2.992 1.00 0.00 C ATOM 1133 O ARG A 72 2.513 12.874 -1.761 1.00 0.00 O ATOM 1134 CB ARG A 72 4.495 13.260 -4.388 1.00 0.00 C ATOM 1135 CG ARG A 72 4.958 14.312 -3.389 1.00 0.00 C ATOM 1136 CD ARG A 72 6.027 13.767 -2.464 1.00 0.00 C ATOM 1137 NE ARG A 72 6.563 14.799 -1.580 1.00 0.00 N ATOM 1138 CZ ARG A 72 7.852 14.906 -1.258 1.00 0.00 C ATOM 1139 NH1 ARG A 72 8.737 14.049 -1.754 1.00 0.00 N1+ ATOM 1140 NH2 ARG A 72 8.250 15.876 -0.449 1.00 0.00 N ATOM 0 H ARG A 72 3.448 11.598 -5.826 1.00 0.00 H new ATOM 0 HA ARG A 72 4.107 11.514 -3.160 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.373 12.768 -4.806 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.988 13.763 -5.212 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.346 15.178 -3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.107 14.656 -2.801 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.610 12.957 -1.865 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.837 13.341 -3.057 1.00 0.00 H new ATOM 0 HE ARG A 72 5.912 15.478 -1.186 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.431 13.307 -2.383 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.723 14.133 -1.506 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.571 16.538 -0.074 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.236 15.961 -0.201 1.00 0.00 H new ATOM 1154 N GLN A 73 1.430 13.352 -3.673 1.00 0.00 N ATOM 1155 CA GLN A 73 0.343 14.072 -3.017 1.00 0.00 C ATOM 1156 C GLN A 73 -0.764 13.118 -2.586 1.00 0.00 C ATOM 1157 O GLN A 73 -1.831 13.545 -2.133 1.00 0.00 O ATOM 1158 CB GLN A 73 -0.229 15.118 -3.969 1.00 0.00 C ATOM 1159 CG GLN A 73 0.826 16.016 -4.583 1.00 0.00 C ATOM 1160 CD GLN A 73 0.319 16.741 -5.806 1.00 0.00 C ATOM 1161 OE1 GLN A 73 -0.188 17.860 -5.718 1.00 0.00 O ATOM 1162 NE2 GLN A 73 0.417 16.089 -6.955 1.00 0.00 N ATOM 0 H GLN A 73 1.332 13.278 -4.686 1.00 0.00 H new ATOM 0 HA GLN A 73 0.744 14.560 -2.128 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.774 14.613 -4.766 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.950 15.733 -3.430 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.156 16.744 -3.842 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.697 15.418 -4.852 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.845 15.163 -6.981 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.065 16.513 -7.813 1.00 0.00 H new ATOM 1171 N GLY A 74 -0.505 11.829 -2.732 1.00 0.00 N ATOM 1172 CA GLY A 74 -1.494 10.835 -2.393 1.00 0.00 C ATOM 1173 C GLY A 74 -2.573 10.724 -3.443 1.00 0.00 C ATOM 1174 O GLY A 74 -3.752 10.597 -3.123 1.00 0.00 O ATOM 0 H GLY A 74 0.377 11.454 -3.081 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.007 9.867 -2.271 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.947 11.087 -1.434 1.00 0.00 H new ATOM 1178 N HIS A 75 -2.171 10.794 -4.696 1.00 0.00 N ATOM 1179 CA HIS A 75 -3.108 10.682 -5.798 1.00 0.00 C ATOM 1180 C HIS A 75 -3.018 9.298 -6.423 1.00 0.00 C ATOM 1181 O HIS A 75 -1.941 8.854 -6.812 1.00 0.00 O ATOM 1182 CB HIS A 75 -2.823 11.763 -6.846 1.00 0.00 C ATOM 1183 CG HIS A 75 -3.836 11.826 -7.950 1.00 0.00 C ATOM 1184 ND1 HIS A 75 -4.960 12.624 -7.897 1.00 0.00 N ATOM 1185 CD2 HIS A 75 -3.886 11.194 -9.145 1.00 0.00 C ATOM 1186 CE1 HIS A 75 -5.655 12.478 -9.009 1.00 0.00 C ATOM 1187 NE2 HIS A 75 -5.025 11.616 -9.785 1.00 0.00 N ATOM 0 H HIS A 75 -1.200 10.928 -4.978 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.119 10.826 -5.418 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.781 12.733 -6.350 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.839 11.584 -7.280 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -3.163 10.488 -9.526 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -6.582 12.979 -9.244 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -5.334 11.313 -10.709 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.150 8.615 -6.471 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.255 7.322 -7.136 1.00 0.00 C ATOM 1198 C VAL A 76 -3.773 7.399 -8.588 1.00 0.00 C ATOM 1199 O VAL A 76 -4.309 8.154 -9.403 1.00 0.00 O ATOM 1200 CB VAL A 76 -5.709 6.792 -7.091 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -6.680 7.792 -7.707 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -5.815 5.443 -7.786 1.00 0.00 C ATOM 0 H VAL A 76 -5.022 8.939 -6.052 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.611 6.628 -6.596 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.982 6.661 -6.044 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.693 7.392 -7.661 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.635 8.730 -7.154 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.408 7.970 -8.747 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.846 5.091 -7.742 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.511 5.546 -8.828 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.164 4.725 -7.287 1.00 0.00 H new ATOM 1212 N LEU A 77 -2.741 6.634 -8.899 1.00 0.00 N ATOM 1213 CA LEU A 77 -2.195 6.606 -10.245 1.00 0.00 C ATOM 1214 C LEU A 77 -2.580 5.307 -10.943 1.00 0.00 C ATOM 1215 O LEU A 77 -3.154 5.315 -12.031 1.00 0.00 O ATOM 1216 CB LEU A 77 -0.675 6.742 -10.193 1.00 0.00 C ATOM 1217 CG LEU A 77 -0.161 7.945 -9.405 1.00 0.00 C ATOM 1218 CD1 LEU A 77 1.330 7.805 -9.148 1.00 0.00 C ATOM 1219 CD2 LEU A 77 -0.461 9.238 -10.151 1.00 0.00 C ATOM 0 H LEU A 77 -2.263 6.023 -8.236 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.607 7.442 -10.810 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.259 5.835 -9.755 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.296 6.806 -11.213 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.675 7.980 -8.444 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.685 8.669 -8.586 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.517 6.897 -8.575 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.859 7.749 -10.099 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.088 10.085 -9.575 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.028 9.218 -11.125 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.538 9.338 -10.287 1.00 0.00 H new ATOM 1231 N ALA A 78 -2.278 4.196 -10.292 1.00 0.00 N ATOM 1232 CA ALA A 78 -2.572 2.878 -10.834 1.00 0.00 C ATOM 1233 C ALA A 78 -3.276 2.040 -9.790 1.00 0.00 C ATOM 1234 O ALA A 78 -3.044 2.224 -8.601 1.00 0.00 O ATOM 1235 CB ALA A 78 -1.294 2.184 -11.273 1.00 0.00 C ATOM 0 H ALA A 78 -1.825 4.181 -9.378 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.220 2.996 -11.702 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.534 1.200 -11.675 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.802 2.780 -12.041 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.628 2.073 -10.417 1.00 0.00 H new ATOM 1241 N VAL A 79 -4.131 1.130 -10.233 1.00 0.00 N ATOM 1242 CA VAL A 79 -4.855 0.251 -9.334 1.00 0.00 C ATOM 1243 C VAL A 79 -5.058 -1.119 -9.963 1.00 0.00 C ATOM 1244 O VAL A 79 -5.564 -1.245 -11.078 1.00 0.00 O ATOM 1245 CB VAL A 79 -6.226 0.834 -8.918 1.00 0.00 C ATOM 1246 CG1 VAL A 79 -6.060 1.862 -7.807 1.00 0.00 C ATOM 1247 CG2 VAL A 79 -6.937 1.458 -10.112 1.00 0.00 C ATOM 0 H VAL A 79 -4.340 0.982 -11.220 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.244 0.155 -8.437 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.839 0.014 -8.544 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.037 2.259 -7.530 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.601 1.389 -6.939 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.423 2.675 -8.156 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.898 1.861 -9.793 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.325 2.262 -10.521 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.097 0.699 -10.877 1.00 0.00 H new ATOM 1257 N THR A 80 -4.626 -2.135 -9.248 1.00 0.00 N ATOM 1258 CA THR A 80 -4.798 -3.510 -9.663 1.00 0.00 C ATOM 1259 C THR A 80 -5.510 -4.283 -8.567 1.00 0.00 C ATOM 1260 O THR A 80 -5.054 -4.309 -7.419 1.00 0.00 O ATOM 1261 CB THR A 80 -3.439 -4.175 -9.951 1.00 0.00 C ATOM 1262 OG1 THR A 80 -2.742 -3.445 -10.966 1.00 0.00 O ATOM 1263 CG2 THR A 80 -3.614 -5.621 -10.395 1.00 0.00 C ATOM 0 H THR A 80 -4.142 -2.029 -8.356 1.00 0.00 H new ATOM 0 HA THR A 80 -5.391 -3.521 -10.578 1.00 0.00 H new ATOM 0 HB THR A 80 -2.860 -4.166 -9.028 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.848 -3.900 -11.827 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.637 -6.062 -10.591 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.116 -6.185 -9.609 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.215 -5.652 -11.304 1.00 0.00 H new ATOM 1271 N LEU A 81 -6.627 -4.901 -8.903 1.00 0.00 N ATOM 1272 CA LEU A 81 -7.359 -5.671 -7.921 1.00 0.00 C ATOM 1273 C LEU A 81 -6.694 -7.020 -7.723 1.00 0.00 C ATOM 1274 O LEU A 81 -6.764 -7.904 -8.579 1.00 0.00 O ATOM 1275 CB LEU A 81 -8.817 -5.868 -8.321 1.00 0.00 C ATOM 1276 CG LEU A 81 -9.683 -6.503 -7.233 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -9.935 -5.510 -6.110 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.996 -7.006 -7.816 1.00 0.00 C ATOM 0 H LEU A 81 -7.041 -4.885 -9.835 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.345 -5.110 -6.986 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.242 -4.901 -8.591 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.856 -6.493 -9.213 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.148 -7.358 -6.821 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.553 -5.977 -5.343 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.984 -5.205 -5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.449 -4.635 -6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.597 -7.454 -7.025 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.541 -6.172 -8.258 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.791 -7.753 -8.583 1.00 0.00 H new ATOM 1290 N VAL A 82 -6.036 -7.159 -6.594 1.00 0.00 N ATOM 1291 CA VAL A 82 -5.369 -8.397 -6.237 1.00 0.00 C ATOM 1292 C VAL A 82 -6.366 -9.317 -5.544 1.00 0.00 C ATOM 1293 O VAL A 82 -6.400 -10.522 -5.795 1.00 0.00 O ATOM 1294 CB VAL A 82 -4.158 -8.126 -5.317 1.00 0.00 C ATOM 1295 CG1 VAL A 82 -2.874 -8.644 -5.944 1.00 0.00 C ATOM 1296 CG2 VAL A 82 -4.030 -6.640 -5.028 1.00 0.00 C ATOM 0 H VAL A 82 -5.947 -6.420 -5.897 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.997 -8.875 -7.143 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.324 -8.656 -4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.036 -8.441 -5.277 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.956 -9.719 -6.107 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.708 -8.144 -6.898 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.172 -6.468 -4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.891 -6.098 -5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.935 -6.286 -4.534 1.00 0.00 H new ATOM 1306 N SER A 83 -7.171 -8.717 -4.665 1.00 0.00 N ATOM 1307 CA SER A 83 -8.354 -9.359 -4.098 1.00 0.00 C ATOM 1308 C SER A 83 -7.997 -10.511 -3.155 1.00 0.00 C ATOM 1309 O SER A 83 -6.826 -10.765 -2.876 1.00 0.00 O ATOM 1310 CB SER A 83 -9.262 -9.822 -5.235 1.00 0.00 C ATOM 1311 OG SER A 83 -10.536 -10.235 -4.759 1.00 0.00 O ATOM 0 H SER A 83 -7.018 -7.767 -4.326 1.00 0.00 H new ATOM 0 HA SER A 83 -8.885 -8.630 -3.486 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.388 -9.011 -5.953 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.787 -10.647 -5.766 1.00 0.00 H new ATOM 0 HG SER A 83 -11.090 -10.523 -5.514 1.00 0.00 H new ATOM 1317 N SER A 84 -9.024 -11.170 -2.632 1.00 0.00 N ATOM 1318 CA SER A 84 -8.845 -12.226 -1.648 1.00 0.00 C ATOM 1319 C SER A 84 -10.006 -13.219 -1.692 1.00 0.00 C ATOM 1320 O SER A 84 -9.799 -14.415 -1.880 1.00 0.00 O ATOM 1321 CB SER A 84 -8.733 -11.624 -0.242 1.00 0.00 C ATOM 1322 OG SER A 84 -7.671 -10.689 -0.171 1.00 0.00 O ATOM 0 H SER A 84 -9.997 -10.988 -2.877 1.00 0.00 H new ATOM 0 HA SER A 84 -7.925 -12.759 -1.888 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.670 -11.135 0.023 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.571 -12.419 0.486 1.00 0.00 H new ATOM 0 HG SER A 84 -7.622 -10.318 0.735 1.00 0.00 H new ATOM 1328 N ALA A 85 -11.229 -12.720 -1.520 1.00 0.00 N ATOM 1329 CA ALA A 85 -12.397 -13.594 -1.462 1.00 0.00 C ATOM 1330 C ALA A 85 -13.242 -13.512 -2.730 1.00 0.00 C ATOM 1331 O ALA A 85 -13.174 -14.394 -3.585 1.00 0.00 O ATOM 1332 CB ALA A 85 -13.236 -13.272 -0.233 1.00 0.00 C ATOM 0 H ALA A 85 -11.435 -11.726 -1.419 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.035 -14.619 -1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -14.104 -13.931 -0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -12.637 -13.419 0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.569 -12.235 -0.281 1.00 0.00 H new ATOM 1338 N GLY A 86 -14.027 -12.448 -2.857 1.00 0.00 N ATOM 1339 CA GLY A 86 -14.914 -12.315 -3.994 1.00 0.00 C ATOM 1340 C GLY A 86 -15.820 -11.112 -3.860 1.00 0.00 C ATOM 1341 O GLY A 86 -16.834 -11.167 -3.164 1.00 0.00 O ATOM 0 H GLY A 86 -14.064 -11.676 -2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.325 -12.227 -4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.519 -13.217 -4.091 1.00 0.00 H new ATOM 1345 N LEU A 87 -15.451 -10.017 -4.511 1.00 0.00 N ATOM 1346 CA LEU A 87 -16.220 -8.781 -4.413 1.00 0.00 C ATOM 1347 C LEU A 87 -16.776 -8.381 -5.782 1.00 0.00 C ATOM 1348 O LEU A 87 -16.132 -7.633 -6.515 1.00 0.00 O ATOM 1349 CB LEU A 87 -15.365 -7.618 -3.872 1.00 0.00 C ATOM 1350 CG LEU A 87 -14.499 -7.879 -2.627 1.00 0.00 C ATOM 1351 CD1 LEU A 87 -15.264 -8.660 -1.580 1.00 0.00 C ATOM 1352 CD2 LEU A 87 -13.195 -8.583 -2.990 1.00 0.00 C ATOM 0 H LEU A 87 -14.628 -9.958 -5.110 1.00 0.00 H new ATOM 0 HA LEU A 87 -17.038 -8.973 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.706 -7.286 -4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -16.034 -6.788 -3.646 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.243 -6.909 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -14.625 -8.828 -0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.146 -8.095 -1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.573 -9.619 -1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.609 -8.751 -2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -13.417 -9.540 -3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.626 -7.961 -3.681 1.00 0.00 H new ATOM 1364 N PRO A 88 -17.966 -8.882 -6.154 1.00 0.00 N ATOM 1365 CA PRO A 88 -18.615 -8.523 -7.415 1.00 0.00 C ATOM 1366 C PRO A 88 -19.341 -7.180 -7.320 1.00 0.00 C ATOM 1367 O PRO A 88 -18.800 -6.143 -7.704 1.00 0.00 O ATOM 1368 CB PRO A 88 -19.615 -9.666 -7.657 1.00 0.00 C ATOM 1369 CG PRO A 88 -19.459 -10.613 -6.503 1.00 0.00 C ATOM 1370 CD PRO A 88 -18.762 -9.856 -5.406 1.00 0.00 C ATOM 0 HA PRO A 88 -17.895 -8.406 -8.225 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -20.635 -9.285 -7.712 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.410 -10.168 -8.603 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -20.431 -10.974 -6.166 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -18.879 -11.488 -6.797 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -19.470 -9.372 -4.733 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.137 -10.508 -4.796 1.00 0.00 H new ATOM 1378 N SER A 89 -20.554 -7.202 -6.777 1.00 0.00 N ATOM 1379 CA SER A 89 -21.331 -5.987 -6.562 1.00 0.00 C ATOM 1380 C SER A 89 -20.648 -5.097 -5.527 1.00 0.00 C ATOM 1381 O SER A 89 -20.923 -3.904 -5.424 1.00 0.00 O ATOM 1382 CB SER A 89 -22.737 -6.349 -6.087 1.00 0.00 C ATOM 1383 OG SER A 89 -23.282 -7.395 -6.874 1.00 0.00 O ATOM 0 H SER A 89 -21.023 -8.056 -6.476 1.00 0.00 H new ATOM 0 HA SER A 89 -21.398 -5.442 -7.504 1.00 0.00 H new ATOM 0 HB2 SER A 89 -22.705 -6.654 -5.041 1.00 0.00 H new ATOM 0 HB3 SER A 89 -23.382 -5.472 -6.144 1.00 0.00 H new ATOM 0 HG SER A 89 -24.182 -7.612 -6.552 1.00 0.00 H new ATOM 1389 N LEU A 90 -19.755 -5.702 -4.760 1.00 0.00 N ATOM 1390 CA LEU A 90 -19.069 -5.016 -3.681 1.00 0.00 C ATOM 1391 C LEU A 90 -18.019 -4.054 -4.220 1.00 0.00 C ATOM 1392 O LEU A 90 -17.837 -2.965 -3.675 1.00 0.00 O ATOM 1393 CB LEU A 90 -18.403 -6.039 -2.761 1.00 0.00 C ATOM 1394 CG LEU A 90 -19.329 -7.126 -2.218 1.00 0.00 C ATOM 1395 CD1 LEU A 90 -18.510 -8.253 -1.628 1.00 0.00 C ATOM 1396 CD2 LEU A 90 -20.266 -6.549 -1.176 1.00 0.00 C ATOM 0 H LEU A 90 -19.487 -6.680 -4.869 1.00 0.00 H new ATOM 0 HA LEU A 90 -19.806 -4.440 -3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -17.588 -6.517 -3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -17.957 -5.510 -1.919 1.00 0.00 H new ATOM 0 HG LEU A 90 -19.930 -7.520 -3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -19.177 -9.024 -1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -17.869 -8.680 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -17.893 -7.868 -0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -20.919 -7.336 -0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -19.684 -6.135 -0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -20.870 -5.761 -1.626 1.00 0.00 H new ATOM 1408 N ASP A 91 -17.364 -4.452 -5.311 1.00 0.00 N ATOM 1409 CA ASP A 91 -16.227 -3.708 -5.857 1.00 0.00 C ATOM 1410 C ASP A 91 -16.579 -2.250 -6.114 1.00 0.00 C ATOM 1411 O ASP A 91 -15.903 -1.352 -5.631 1.00 0.00 O ATOM 1412 CB ASP A 91 -15.755 -4.359 -7.162 1.00 0.00 C ATOM 1413 CG ASP A 91 -14.753 -3.508 -7.927 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -15.182 -2.632 -8.708 1.00 0.00 O1- ATOM 1415 OD2 ASP A 91 -13.532 -3.722 -7.769 1.00 0.00 O ATOM 0 H ASP A 91 -17.603 -5.292 -5.838 1.00 0.00 H new ATOM 0 HA ASP A 91 -15.427 -3.737 -5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.304 -5.325 -6.936 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -16.619 -4.551 -7.798 1.00 0.00 H new ATOM 1420 N ARG A 92 -17.668 -2.026 -6.823 1.00 0.00 N ATOM 1421 CA ARG A 92 -18.044 -0.685 -7.256 1.00 0.00 C ATOM 1422 C ARG A 92 -18.130 0.298 -6.086 1.00 0.00 C ATOM 1423 O ARG A 92 -17.642 1.418 -6.185 1.00 0.00 O ATOM 1424 CB ARG A 92 -19.371 -0.748 -8.000 1.00 0.00 C ATOM 1425 CG ARG A 92 -20.470 -1.418 -7.200 1.00 0.00 C ATOM 1426 CD ARG A 92 -21.522 -2.015 -8.107 1.00 0.00 C ATOM 1427 NE ARG A 92 -20.952 -3.030 -8.995 1.00 0.00 N ATOM 1428 CZ ARG A 92 -21.659 -3.750 -9.866 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -22.959 -3.532 -10.026 1.00 0.00 N1+ ATOM 1430 NH2 ARG A 92 -21.059 -4.679 -10.596 1.00 0.00 N ATOM 0 H ARG A 92 -18.315 -2.758 -7.116 1.00 0.00 H new ATOM 0 HA ARG A 92 -17.265 -0.314 -7.922 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -19.684 0.263 -8.259 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -19.230 -1.288 -8.936 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -20.042 -2.199 -6.572 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -20.932 -0.691 -6.532 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -22.313 -2.461 -7.504 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -21.981 -1.226 -8.702 1.00 0.00 H new ATOM 0 HE ARG A 92 -19.947 -3.197 -8.944 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -23.426 -2.808 -9.480 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -23.491 -4.089 -10.695 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -20.058 -4.842 -10.491 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -21.599 -5.231 -11.263 1.00 0.00 H new ATOM 1444 N GLU A 93 -18.733 -0.128 -4.984 1.00 0.00 N ATOM 1445 CA GLU A 93 -18.933 0.752 -3.843 1.00 0.00 C ATOM 1446 C GLU A 93 -17.647 0.932 -3.034 1.00 0.00 C ATOM 1447 O GLU A 93 -17.194 2.058 -2.808 1.00 0.00 O ATOM 1448 CB GLU A 93 -20.043 0.203 -2.947 1.00 0.00 C ATOM 1449 CG GLU A 93 -20.525 1.195 -1.902 1.00 0.00 C ATOM 1450 CD GLU A 93 -21.141 2.431 -2.525 1.00 0.00 C ATOM 1451 OE1 GLU A 93 -22.337 2.383 -2.881 1.00 0.00 O ATOM 1452 OE2 GLU A 93 -20.436 3.451 -2.673 1.00 0.00 O1- ATOM 0 H GLU A 93 -19.091 -1.075 -4.857 1.00 0.00 H new ATOM 0 HA GLU A 93 -19.224 1.730 -4.225 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.887 -0.096 -3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -19.683 -0.695 -2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -21.259 0.712 -1.256 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.688 1.489 -1.269 1.00 0.00 H new ATOM 1459 N ILE A 94 -17.047 -0.181 -2.622 1.00 0.00 N ATOM 1460 CA ILE A 94 -15.905 -0.135 -1.713 1.00 0.00 C ATOM 1461 C ILE A 94 -14.643 0.330 -2.421 1.00 0.00 C ATOM 1462 O ILE A 94 -13.802 0.999 -1.826 1.00 0.00 O ATOM 1463 CB ILE A 94 -15.636 -1.498 -1.031 1.00 0.00 C ATOM 1464 CG1 ILE A 94 -15.267 -2.573 -2.062 1.00 0.00 C ATOM 1465 CG2 ILE A 94 -16.850 -1.925 -0.221 1.00 0.00 C ATOM 1466 CD1 ILE A 94 -14.901 -3.908 -1.447 1.00 0.00 C ATOM 0 H ILE A 94 -17.330 -1.121 -2.901 1.00 0.00 H new ATOM 0 HA ILE A 94 -16.170 0.588 -0.941 1.00 0.00 H new ATOM 0 HB ILE A 94 -14.787 -1.381 -0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -16.107 -2.715 -2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -14.429 -2.217 -2.661 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -16.651 -2.885 0.255 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -17.058 -1.177 0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -17.713 -2.019 -0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -14.652 -4.617 -2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -14.041 -3.782 -0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -15.746 -4.287 -0.872 1.00 0.00 H new ATOM 1478 N GLN A 95 -14.508 -0.010 -3.693 1.00 0.00 N ATOM 1479 CA GLN A 95 -13.350 0.390 -4.446 1.00 0.00 C ATOM 1480 C GLN A 95 -13.518 1.807 -4.961 1.00 0.00 C ATOM 1481 O GLN A 95 -12.554 2.487 -5.244 1.00 0.00 O ATOM 1482 CB GLN A 95 -13.110 -0.556 -5.599 1.00 0.00 C ATOM 1483 CG GLN A 95 -12.942 -2.013 -5.187 1.00 0.00 C ATOM 1484 CD GLN A 95 -11.677 -2.276 -4.401 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -10.669 -1.594 -4.563 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -11.719 -3.289 -3.555 1.00 0.00 N ATOM 0 H GLN A 95 -15.189 -0.561 -4.217 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.485 0.356 -3.784 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -13.945 -0.481 -6.296 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.217 -0.237 -6.136 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.802 -2.314 -4.588 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.941 -2.637 -6.081 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.577 -3.831 -3.450 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.894 -3.530 -3.006 1.00 0.00 H new ATOM 1495 N ALA A 96 -14.743 2.260 -5.105 1.00 0.00 N ATOM 1496 CA ALA A 96 -14.955 3.680 -5.334 1.00 0.00 C ATOM 1497 C ALA A 96 -14.310 4.431 -4.185 1.00 0.00 C ATOM 1498 O ALA A 96 -13.521 5.353 -4.377 1.00 0.00 O ATOM 1499 CB ALA A 96 -16.434 4.019 -5.418 1.00 0.00 C ATOM 0 H ALA A 96 -15.588 1.690 -5.070 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.509 3.966 -6.287 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -16.553 5.089 -5.590 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -16.888 3.467 -6.241 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -16.924 3.745 -4.484 1.00 0.00 H new ATOM 1505 N LEU A 97 -14.600 3.954 -2.987 1.00 0.00 N ATOM 1506 CA LEU A 97 -14.108 4.524 -1.781 1.00 0.00 C ATOM 1507 C LEU A 97 -12.584 4.393 -1.678 1.00 0.00 C ATOM 1508 O LEU A 97 -11.889 5.385 -1.542 1.00 0.00 O ATOM 1509 CB LEU A 97 -14.789 3.787 -0.639 1.00 0.00 C ATOM 1510 CG LEU A 97 -14.393 4.262 0.724 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -15.533 5.018 1.385 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -13.919 3.107 1.583 1.00 0.00 C ATOM 0 H LEU A 97 -15.199 3.141 -2.841 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.328 5.591 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -15.869 3.891 -0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -14.561 2.724 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 97 -13.558 4.954 0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -15.222 5.353 2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -15.798 5.882 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -16.398 4.362 1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -13.637 3.478 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -14.722 2.377 1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -13.057 2.634 1.113 1.00 0.00 H new ATOM 1524 N VAL A 98 -12.072 3.171 -1.769 1.00 0.00 N ATOM 1525 CA VAL A 98 -10.634 2.931 -1.611 1.00 0.00 C ATOM 1526 C VAL A 98 -9.854 3.031 -2.927 1.00 0.00 C ATOM 1527 O VAL A 98 -8.848 3.728 -3.006 1.00 0.00 O ATOM 1528 CB VAL A 98 -10.362 1.547 -0.987 1.00 0.00 C ATOM 1529 CG1 VAL A 98 -8.867 1.309 -0.851 1.00 0.00 C ATOM 1530 CG2 VAL A 98 -11.043 1.421 0.365 1.00 0.00 C ATOM 0 H VAL A 98 -12.624 2.332 -1.950 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.285 3.722 -0.947 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.776 0.788 -1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -8.693 0.328 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.401 1.351 -1.835 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.433 2.077 -0.211 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.837 0.437 0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.662 2.190 1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -12.119 1.546 0.243 1.00 0.00 H new ATOM 1540 N LYS A 99 -10.328 2.339 -3.954 1.00 0.00 N ATOM 1541 CA LYS A 99 -9.598 2.228 -5.221 1.00 0.00 C ATOM 1542 C LYS A 99 -9.560 3.570 -5.959 1.00 0.00 C ATOM 1543 O LYS A 99 -8.613 3.849 -6.691 1.00 0.00 O ATOM 1544 CB LYS A 99 -10.230 1.139 -6.112 1.00 0.00 C ATOM 1545 CG LYS A 99 -9.451 0.837 -7.386 1.00 0.00 C ATOM 1546 CD LYS A 99 -10.282 0.029 -8.376 1.00 0.00 C ATOM 1547 CE LYS A 99 -10.716 -1.310 -7.798 1.00 0.00 C ATOM 1548 NZ LYS A 99 -11.702 -1.999 -8.674 1.00 0.00 N1+ ATOM 0 H LYS A 99 -11.219 1.842 -3.939 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.571 1.942 -4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.323 0.221 -5.532 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.239 1.449 -6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.138 1.772 -7.851 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.544 0.286 -7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.163 0.603 -8.662 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.702 -0.139 -9.284 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.842 -1.948 -7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.153 -1.155 -6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.209 -2.722 -8.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.382 -1.305 -9.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.205 -2.452 -9.467 1.00 0.00 H new ATOM 1562 N ARG A 100 -10.584 4.401 -5.778 1.00 0.00 N ATOM 1563 CA ARG A 100 -10.577 5.724 -6.380 1.00 0.00 C ATOM 1564 C ARG A 100 -9.870 6.705 -5.458 1.00 0.00 C ATOM 1565 O ARG A 100 -9.124 7.572 -5.907 1.00 0.00 O ATOM 1566 CB ARG A 100 -12.010 6.173 -6.689 1.00 0.00 C ATOM 1567 CG ARG A 100 -12.137 7.564 -7.293 1.00 0.00 C ATOM 1568 CD ARG A 100 -12.134 8.654 -6.229 1.00 0.00 C ATOM 1569 NE ARG A 100 -12.404 9.973 -6.798 1.00 0.00 N ATOM 1570 CZ ARG A 100 -12.947 10.985 -6.118 1.00 0.00 C ATOM 1571 NH1 ARG A 100 -13.264 10.835 -4.837 1.00 0.00 N1+ ATOM 1572 NH2 ARG A 100 -13.178 12.144 -6.721 1.00 0.00 N ATOM 0 H ARG A 100 -11.415 4.183 -5.228 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.031 5.692 -7.323 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -12.459 5.454 -7.374 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.591 6.140 -5.767 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -11.314 7.734 -7.987 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -13.059 7.625 -7.871 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -12.884 8.425 -5.472 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -11.167 8.667 -5.725 1.00 0.00 H new ATOM 0 HE ARG A 100 -12.162 10.130 -7.776 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -13.093 9.944 -4.370 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -13.679 11.610 -4.320 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -12.941 12.263 -7.706 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -13.593 12.916 -6.200 1.00 0.00 H new ATOM 1586 N ALA A 101 -10.113 6.574 -4.166 1.00 0.00 N ATOM 1587 CA ALA A 101 -9.448 7.417 -3.188 1.00 0.00 C ATOM 1588 C ALA A 101 -8.246 6.702 -2.589 1.00 0.00 C ATOM 1589 O ALA A 101 -8.227 6.403 -1.398 1.00 0.00 O ATOM 1590 CB ALA A 101 -10.412 7.845 -2.088 1.00 0.00 C ATOM 0 H ALA A 101 -10.763 5.895 -3.771 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.099 8.312 -3.702 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.888 8.475 -1.370 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -11.239 8.404 -2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.800 6.962 -1.581 1.00 0.00 H new ATOM 1596 N SER A 102 -7.256 6.407 -3.427 1.00 0.00 N ATOM 1597 CA SER A 102 -6.020 5.792 -2.960 1.00 0.00 C ATOM 1598 C SER A 102 -4.969 6.867 -2.688 1.00 0.00 C ATOM 1599 O SER A 102 -4.322 7.369 -3.609 1.00 0.00 O ATOM 1600 CB SER A 102 -5.505 4.786 -3.991 1.00 0.00 C ATOM 1601 OG SER A 102 -6.506 3.842 -4.326 1.00 0.00 O ATOM 0 H SER A 102 -7.287 6.584 -4.431 1.00 0.00 H new ATOM 0 HA SER A 102 -6.221 5.259 -2.031 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.183 5.313 -4.889 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.631 4.269 -3.594 1.00 0.00 H new ATOM 0 HG SER A 102 -7.206 3.850 -3.640 1.00 0.00 H new ATOM 1607 N PRO A 103 -4.817 7.254 -1.418 1.00 0.00 N ATOM 1608 CA PRO A 103 -3.924 8.308 -0.991 1.00 0.00 C ATOM 1609 C PRO A 103 -2.689 7.820 -0.228 1.00 0.00 C ATOM 1610 O PRO A 103 -2.567 6.644 0.119 1.00 0.00 O ATOM 1611 CB PRO A 103 -4.847 9.073 -0.047 1.00 0.00 C ATOM 1612 CG PRO A 103 -5.781 8.032 0.523 1.00 0.00 C ATOM 1613 CD PRO A 103 -5.572 6.765 -0.274 1.00 0.00 C ATOM 0 HA PRO A 103 -3.500 8.864 -1.827 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.281 9.568 0.742 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.399 9.848 -0.578 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.570 7.862 1.579 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.817 8.364 0.454 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -5.019 6.014 0.290 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.516 6.309 -0.572 1.00 0.00 H new ATOM 1621 N LEU A 104 -1.779 8.749 0.027 1.00 0.00 N ATOM 1622 CA LEU A 104 -0.621 8.507 0.872 1.00 0.00 C ATOM 1623 C LEU A 104 -0.302 9.759 1.678 1.00 0.00 C ATOM 1624 O LEU A 104 -0.075 10.829 1.113 1.00 0.00 O ATOM 1625 CB LEU A 104 0.602 8.087 0.045 1.00 0.00 C ATOM 1626 CG LEU A 104 0.889 6.583 0.034 1.00 0.00 C ATOM 1627 CD1 LEU A 104 2.106 6.272 -0.822 1.00 0.00 C ATOM 1628 CD2 LEU A 104 1.094 6.069 1.449 1.00 0.00 C ATOM 0 H LEU A 104 -1.824 9.696 -0.349 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.861 7.687 1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.460 8.422 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.479 8.606 0.431 1.00 0.00 H new ATOM 0 HG LEU A 104 0.026 6.076 -0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.291 5.198 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.925 6.602 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.976 6.792 -0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.297 4.998 1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.938 6.587 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.195 6.253 2.037 1.00 0.00 H new ATOM 1640 N PRO A 105 -0.324 9.645 3.014 1.00 0.00 N ATOM 1641 CA PRO A 105 0.010 10.752 3.911 1.00 0.00 C ATOM 1642 C PRO A 105 1.495 11.045 3.919 1.00 0.00 C ATOM 1643 O PRO A 105 1.926 12.178 3.711 1.00 0.00 O ATOM 1644 CB PRO A 105 -0.406 10.265 5.300 1.00 0.00 C ATOM 1645 CG PRO A 105 -1.022 8.920 5.118 1.00 0.00 C ATOM 1646 CD PRO A 105 -0.680 8.428 3.747 1.00 0.00 C ATOM 0 HA PRO A 105 -0.490 11.669 3.598 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.456 10.209 5.964 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -1.115 10.956 5.756 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.651 8.227 5.873 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -2.103 8.978 5.242 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.148 7.720 3.772 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.524 7.916 3.285 1.00 0.00 H new ATOM 1654 N THR A 106 2.263 10.011 4.189 1.00 0.00 N ATOM 1655 CA THR A 106 3.706 10.117 4.225 1.00 0.00 C ATOM 1656 C THR A 106 4.293 9.867 2.838 1.00 0.00 C ATOM 1657 O THR A 106 4.161 8.771 2.296 1.00 0.00 O ATOM 1658 CB THR A 106 4.296 9.116 5.233 1.00 0.00 C ATOM 1659 OG1 THR A 106 3.627 9.261 6.493 1.00 0.00 O ATOM 1660 CG2 THR A 106 5.790 9.346 5.420 1.00 0.00 C ATOM 0 H THR A 106 1.906 9.077 4.389 1.00 0.00 H new ATOM 0 HA THR A 106 3.967 11.127 4.541 1.00 0.00 H new ATOM 0 HB THR A 106 4.150 8.107 4.846 1.00 0.00 H new ATOM 0 HG1 THR A 106 4.000 8.623 7.137 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.182 8.625 6.137 1.00 0.00 H new ATOM 0 HG22 THR A 106 6.300 9.221 4.465 1.00 0.00 H new ATOM 0 HG23 THR A 106 5.959 10.357 5.792 1.00 0.00 H new ATOM 1668 N PRO A 107 4.926 10.895 2.246 1.00 0.00 N ATOM 1669 CA PRO A 107 5.541 10.799 0.916 1.00 0.00 C ATOM 1670 C PRO A 107 6.702 9.804 0.886 1.00 0.00 C ATOM 1671 O PRO A 107 7.779 10.073 1.423 1.00 0.00 O ATOM 1672 CB PRO A 107 6.052 12.221 0.651 1.00 0.00 C ATOM 1673 CG PRO A 107 6.171 12.848 1.998 1.00 0.00 C ATOM 1674 CD PRO A 107 5.085 12.238 2.831 1.00 0.00 C ATOM 0 HA PRO A 107 4.834 10.440 0.168 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.013 12.205 0.137 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.361 12.777 0.017 1.00 0.00 H new ATOM 0 HG2 PRO A 107 7.152 12.656 2.433 1.00 0.00 H new ATOM 0 HG3 PRO A 107 6.056 13.930 1.937 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.365 12.188 3.883 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.162 12.814 2.773 1.00 0.00 H new ATOM 1682 N PRO A 108 6.500 8.642 0.252 1.00 0.00 N ATOM 1683 CA PRO A 108 7.523 7.604 0.159 1.00 0.00 C ATOM 1684 C PRO A 108 8.492 7.865 -0.986 1.00 0.00 C ATOM 1685 O PRO A 108 8.585 7.081 -1.934 1.00 0.00 O ATOM 1686 CB PRO A 108 6.692 6.350 -0.099 1.00 0.00 C ATOM 1687 CG PRO A 108 5.536 6.837 -0.904 1.00 0.00 C ATOM 1688 CD PRO A 108 5.252 8.240 -0.429 1.00 0.00 C ATOM 0 HA PRO A 108 8.153 7.541 1.046 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.265 5.597 -0.640 1.00 0.00 H new ATOM 0 HB3 PRO A 108 6.363 5.891 0.833 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.771 6.827 -1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.666 6.195 -0.764 1.00 0.00 H new ATOM 0 HD2 PRO A 108 5.019 8.904 -1.261 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.399 8.268 0.250 1.00 0.00 H new ATOM 1696 N ALA A 109 9.211 8.977 -0.894 1.00 0.00 N ATOM 1697 CA ALA A 109 10.176 9.351 -1.915 1.00 0.00 C ATOM 1698 C ALA A 109 11.231 8.272 -2.062 1.00 0.00 C ATOM 1699 O ALA A 109 11.582 7.877 -3.171 1.00 0.00 O ATOM 1700 CB ALA A 109 10.821 10.685 -1.580 1.00 0.00 C ATOM 0 H ALA A 109 9.142 9.636 -0.119 1.00 0.00 H new ATOM 0 HA ALA A 109 9.651 9.455 -2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 109 11.540 10.947 -2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.053 11.456 -1.522 1.00 0.00 H new ATOM 0 HB3 ALA A 109 11.334 10.611 -0.621 1.00 0.00 H new ATOM 1706 N ASP A 110 11.672 7.751 -0.926 1.00 0.00 N ATOM 1707 CA ASP A 110 12.718 6.739 -0.891 1.00 0.00 C ATOM 1708 C ASP A 110 12.200 5.415 -1.428 1.00 0.00 C ATOM 1709 O ASP A 110 12.959 4.466 -1.621 1.00 0.00 O ATOM 1710 CB ASP A 110 13.242 6.558 0.538 1.00 0.00 C ATOM 1711 CG ASP A 110 13.815 7.837 1.111 1.00 0.00 C ATOM 1712 OD1 ASP A 110 13.028 8.724 1.505 1.00 0.00 O1- ATOM 1713 OD2 ASP A 110 15.056 7.970 1.162 1.00 0.00 O ATOM 0 H ASP A 110 11.317 8.016 -0.007 1.00 0.00 H new ATOM 0 HA ASP A 110 13.538 7.075 -1.525 1.00 0.00 H new ATOM 0 HB2 ASP A 110 12.431 6.208 1.177 1.00 0.00 H new ATOM 0 HB3 ASP A 110 14.010 5.784 0.545 1.00 0.00 H new ATOM 1718 N ALA A 111 10.900 5.356 -1.668 1.00 0.00 N ATOM 1719 CA ALA A 111 10.274 4.149 -2.169 1.00 0.00 C ATOM 1720 C ALA A 111 10.049 4.217 -3.677 1.00 0.00 C ATOM 1721 O ALA A 111 10.109 3.199 -4.363 1.00 0.00 O ATOM 1722 CB ALA A 111 8.959 3.904 -1.448 1.00 0.00 C ATOM 0 H ALA A 111 10.258 6.135 -1.522 1.00 0.00 H new ATOM 0 HA ALA A 111 10.949 3.316 -1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 111 8.497 2.995 -1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 111 9.145 3.793 -0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.290 4.749 -1.614 1.00 0.00 H new ATOM 1728 N TYR A 112 9.801 5.411 -4.203 1.00 0.00 N ATOM 1729 CA TYR A 112 9.493 5.537 -5.622 1.00 0.00 C ATOM 1730 C TYR A 112 10.587 6.205 -6.415 1.00 0.00 C ATOM 1731 O TYR A 112 10.357 6.666 -7.534 1.00 0.00 O ATOM 1732 CB TYR A 112 8.145 6.179 -5.905 1.00 0.00 C ATOM 1733 CG TYR A 112 7.789 7.426 -5.147 1.00 0.00 C ATOM 1734 CD1 TYR A 112 8.630 8.524 -5.096 1.00 0.00 C ATOM 1735 CD2 TYR A 112 6.572 7.497 -4.494 1.00 0.00 C ATOM 1736 CE1 TYR A 112 8.261 9.660 -4.408 1.00 0.00 C ATOM 1737 CE2 TYR A 112 6.192 8.619 -3.809 1.00 0.00 C ATOM 1738 CZ TYR A 112 7.042 9.702 -3.763 1.00 0.00 C ATOM 1739 OH TYR A 112 6.674 10.829 -3.065 1.00 0.00 O ATOM 0 H TYR A 112 9.806 6.288 -3.682 1.00 0.00 H new ATOM 0 HA TYR A 112 9.427 4.505 -5.968 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.101 6.410 -6.969 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.372 5.436 -5.708 1.00 0.00 H new ATOM 0 HD1 TYR A 112 9.585 8.490 -5.600 1.00 0.00 H new ATOM 0 HD2 TYR A 112 5.906 6.647 -4.525 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.923 10.513 -4.374 1.00 0.00 H new ATOM 0 HE2 TYR A 112 5.235 8.655 -3.309 1.00 0.00 H new ATOM 0 HH TYR A 112 7.474 11.273 -2.715 1.00 0.00 H new ATOM 1749 N VAL A 113 11.769 6.258 -5.848 1.00 0.00 N ATOM 1750 CA VAL A 113 12.926 6.663 -6.630 1.00 0.00 C ATOM 1751 C VAL A 113 13.248 5.546 -7.619 1.00 0.00 C ATOM 1752 O VAL A 113 14.048 4.648 -7.353 1.00 0.00 O ATOM 1753 CB VAL A 113 14.165 6.984 -5.753 1.00 0.00 C ATOM 1754 CG1 VAL A 113 14.013 8.351 -5.110 1.00 0.00 C ATOM 1755 CG2 VAL A 113 14.387 5.920 -4.682 1.00 0.00 C ATOM 0 H VAL A 113 11.959 6.033 -4.872 1.00 0.00 H new ATOM 0 HA VAL A 113 12.680 7.587 -7.153 1.00 0.00 H new ATOM 0 HB VAL A 113 15.040 6.988 -6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 113 14.889 8.564 -4.497 1.00 0.00 H new ATOM 0 HG12 VAL A 113 13.920 9.110 -5.887 1.00 0.00 H new ATOM 0 HG13 VAL A 113 13.121 8.361 -4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 113 15.263 6.179 -4.088 1.00 0.00 H new ATOM 0 HG22 VAL A 113 13.512 5.868 -4.034 1.00 0.00 H new ATOM 0 HG23 VAL A 113 14.545 4.952 -5.158 1.00 0.00 H new ATOM 1765 N ASN A 114 12.594 5.650 -8.770 1.00 0.00 N ATOM 1766 CA ASN A 114 12.562 4.615 -9.803 1.00 0.00 C ATOM 1767 C ASN A 114 11.381 4.909 -10.723 1.00 0.00 C ATOM 1768 O ASN A 114 11.382 4.563 -11.905 1.00 0.00 O ATOM 1769 CB ASN A 114 12.405 3.198 -9.208 1.00 0.00 C ATOM 1770 CG ASN A 114 10.998 2.893 -8.698 1.00 0.00 C ATOM 1771 OD1 ASN A 114 10.162 2.357 -9.429 1.00 0.00 O ATOM 1772 ND2 ASN A 114 10.723 3.225 -7.444 1.00 0.00 N ATOM 0 H ASN A 114 12.055 6.479 -9.020 1.00 0.00 H new ATOM 0 HA ASN A 114 13.508 4.634 -10.344 1.00 0.00 H new ATOM 0 HB2 ASN A 114 12.672 2.464 -9.968 1.00 0.00 H new ATOM 0 HB3 ASN A 114 13.112 3.079 -8.387 1.00 0.00 H new ATOM 0 HD21 ASN A 114 9.797 3.038 -7.058 1.00 0.00 H new ATOM 0 HD22 ASN A 114 11.437 3.667 -6.865 1.00 0.00 H new ATOM 1779 N GLY A 115 10.375 5.571 -10.155 1.00 0.00 N ATOM 1780 CA GLY A 115 9.183 5.919 -10.897 1.00 0.00 C ATOM 1781 C GLY A 115 8.048 6.327 -9.983 1.00 0.00 C ATOM 1782 O GLY A 115 7.750 7.511 -9.847 1.00 0.00 O ATOM 0 H GLY A 115 10.370 5.874 -9.181 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.408 6.736 -11.583 1.00 0.00 H new ATOM 0 HA3 GLY A 115 8.872 5.069 -11.504 1.00 0.00 H new ATOM 1786 N THR A 116 7.424 5.336 -9.351 1.00 0.00 N ATOM 1787 CA THR A 116 6.307 5.552 -8.437 1.00 0.00 C ATOM 1788 C THR A 116 6.152 4.327 -7.534 1.00 0.00 C ATOM 1789 O THR A 116 6.858 3.335 -7.725 1.00 0.00 O ATOM 1790 CB THR A 116 4.996 5.828 -9.202 1.00 0.00 C ATOM 1791 OG1 THR A 116 5.035 5.206 -10.495 1.00 0.00 O ATOM 1792 CG2 THR A 116 4.753 7.323 -9.348 1.00 0.00 C ATOM 0 H THR A 116 7.681 4.355 -9.460 1.00 0.00 H new ATOM 0 HA THR A 116 6.519 6.432 -7.829 1.00 0.00 H new ATOM 0 HB THR A 116 4.173 5.403 -8.627 1.00 0.00 H new ATOM 0 HG1 THR A 116 4.197 5.387 -10.970 1.00 0.00 H new ATOM 0 HG21 THR A 116 3.823 7.489 -9.891 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.683 7.778 -8.360 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.579 7.774 -9.898 1.00 0.00 H new ATOM 1800 N VAL A 117 5.252 4.382 -6.552 1.00 0.00 N ATOM 1801 CA VAL A 117 5.126 3.282 -5.600 1.00 0.00 C ATOM 1802 C VAL A 117 3.914 2.432 -5.909 1.00 0.00 C ATOM 1803 O VAL A 117 2.775 2.856 -5.736 1.00 0.00 O ATOM 1804 CB VAL A 117 5.028 3.750 -4.120 1.00 0.00 C ATOM 1805 CG1 VAL A 117 6.346 4.314 -3.645 1.00 0.00 C ATOM 1806 CG2 VAL A 117 3.910 4.767 -3.907 1.00 0.00 C ATOM 0 H VAL A 117 4.612 5.161 -6.397 1.00 0.00 H new ATOM 0 HA VAL A 117 6.042 2.702 -5.712 1.00 0.00 H new ATOM 0 HB VAL A 117 4.786 2.869 -3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 117 6.252 4.634 -2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.118 3.548 -3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.621 5.168 -4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 117 3.882 5.063 -2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.094 5.645 -4.527 1.00 0.00 H new ATOM 0 HG23 VAL A 117 2.955 4.321 -4.184 1.00 0.00 H new ATOM 1816 N GLU A 118 4.173 1.237 -6.393 1.00 0.00 N ATOM 1817 CA GLU A 118 3.132 0.264 -6.596 1.00 0.00 C ATOM 1818 C GLU A 118 3.244 -0.785 -5.505 1.00 0.00 C ATOM 1819 O GLU A 118 4.208 -1.553 -5.472 1.00 0.00 O ATOM 1820 CB GLU A 118 3.280 -0.384 -7.968 1.00 0.00 C ATOM 1821 CG GLU A 118 2.126 -1.289 -8.337 1.00 0.00 C ATOM 1822 CD GLU A 118 2.451 -2.172 -9.521 1.00 0.00 C ATOM 1823 OE1 GLU A 118 3.254 -3.114 -9.360 1.00 0.00 O ATOM 1824 OE2 GLU A 118 1.901 -1.929 -10.614 1.00 0.00 O1- ATOM 0 H GLU A 118 5.106 0.918 -6.654 1.00 0.00 H new ATOM 0 HA GLU A 118 2.155 0.745 -6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.373 0.398 -8.722 1.00 0.00 H new ATOM 0 HB3 GLU A 118 4.205 -0.961 -7.991 1.00 0.00 H new ATOM 0 HG2 GLU A 118 1.867 -1.912 -7.481 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.250 -0.683 -8.567 1.00 0.00 H new ATOM 1831 N LEU A 119 2.274 -0.820 -4.612 1.00 0.00 N ATOM 1832 CA LEU A 119 2.340 -1.727 -3.485 1.00 0.00 C ATOM 1833 C LEU A 119 0.961 -2.286 -3.171 1.00 0.00 C ATOM 1834 O LEU A 119 -0.057 -1.623 -3.390 1.00 0.00 O ATOM 1835 CB LEU A 119 2.958 -1.013 -2.268 1.00 0.00 C ATOM 1836 CG LEU A 119 2.071 0.006 -1.537 1.00 0.00 C ATOM 1837 CD1 LEU A 119 1.380 -0.658 -0.368 1.00 0.00 C ATOM 1838 CD2 LEU A 119 2.896 1.195 -1.058 1.00 0.00 C ATOM 0 H LEU A 119 1.438 -0.236 -4.645 1.00 0.00 H new ATOM 0 HA LEU A 119 2.983 -2.570 -3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.266 -1.772 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 119 3.862 -0.501 -2.598 1.00 0.00 H new ATOM 0 HG LEU A 119 1.318 0.374 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 119 0.753 0.071 0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.761 -1.479 -0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 119 2.128 -1.045 0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 119 2.248 1.904 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.670 0.848 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.361 1.684 -1.914 1.00 0.00 H new ATOM 1850 N THR A 120 0.940 -3.520 -2.701 1.00 0.00 N ATOM 1851 CA THR A 120 -0.295 -4.195 -2.358 1.00 0.00 C ATOM 1852 C THR A 120 -0.705 -3.903 -0.922 1.00 0.00 C ATOM 1853 O THR A 120 0.053 -4.157 0.018 1.00 0.00 O ATOM 1854 CB THR A 120 -0.150 -5.719 -2.533 1.00 0.00 C ATOM 1855 OG1 THR A 120 0.204 -6.026 -3.889 1.00 0.00 O ATOM 1856 CG2 THR A 120 -1.438 -6.437 -2.158 1.00 0.00 C ATOM 0 H THR A 120 1.778 -4.080 -2.547 1.00 0.00 H new ATOM 0 HA THR A 120 -1.064 -3.819 -3.032 1.00 0.00 H new ATOM 0 HB THR A 120 0.640 -6.064 -1.867 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.296 -6.996 -3.991 1.00 0.00 H new ATOM 0 HG21 THR A 120 -1.308 -7.511 -2.291 1.00 0.00 H new ATOM 0 HG22 THR A 120 -1.682 -6.227 -1.117 1.00 0.00 H new ATOM 0 HG23 THR A 120 -2.249 -6.088 -2.798 1.00 0.00 H new ATOM 1864 N LEU A 121 -1.895 -3.356 -0.760 1.00 0.00 N ATOM 1865 CA LEU A 121 -2.477 -3.176 0.553 1.00 0.00 C ATOM 1866 C LEU A 121 -3.837 -3.836 0.609 1.00 0.00 C ATOM 1867 O LEU A 121 -4.715 -3.537 -0.196 1.00 0.00 O ATOM 1868 CB LEU A 121 -2.593 -1.690 0.896 1.00 0.00 C ATOM 1869 CG LEU A 121 -1.282 -1.045 1.324 1.00 0.00 C ATOM 1870 CD1 LEU A 121 -1.477 0.417 1.680 1.00 0.00 C ATOM 1871 CD2 LEU A 121 -0.690 -1.811 2.492 1.00 0.00 C ATOM 0 H LEU A 121 -2.480 -3.027 -1.528 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.824 -3.644 1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -2.981 -1.157 0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.323 -1.569 1.696 1.00 0.00 H new ATOM 0 HG LEU A 121 -0.587 -1.086 0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -0.523 0.849 1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -1.861 0.955 0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -2.188 0.500 2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.248 -1.345 2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.389 -1.796 3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.503 -2.843 2.193 1.00 0.00 H new ATOM 1883 N PRO A 122 -4.027 -4.768 1.541 1.00 0.00 N ATOM 1884 CA PRO A 122 -5.312 -5.415 1.723 1.00 0.00 C ATOM 1885 C PRO A 122 -6.298 -4.473 2.387 1.00 0.00 C ATOM 1886 O PRO A 122 -6.069 -3.995 3.499 1.00 0.00 O ATOM 1887 CB PRO A 122 -5.007 -6.613 2.635 1.00 0.00 C ATOM 1888 CG PRO A 122 -3.516 -6.661 2.764 1.00 0.00 C ATOM 1889 CD PRO A 122 -3.020 -5.273 2.475 1.00 0.00 C ATOM 0 HA PRO A 122 -5.765 -5.715 0.778 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -5.480 -6.492 3.610 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -5.392 -7.538 2.206 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -3.223 -6.977 3.765 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -3.089 -7.380 2.065 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -2.963 -4.666 3.378 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -2.024 -5.281 2.033 1.00 0.00 H new ATOM 1897 N ILE A 123 -7.386 -4.199 1.701 1.00 0.00 N ATOM 1898 CA ILE A 123 -8.419 -3.355 2.251 1.00 0.00 C ATOM 1899 C ILE A 123 -9.480 -4.256 2.880 1.00 0.00 C ATOM 1900 O ILE A 123 -10.298 -4.876 2.196 1.00 0.00 O ATOM 1901 CB ILE A 123 -9.026 -2.394 1.183 1.00 0.00 C ATOM 1902 CG1 ILE A 123 -9.890 -3.132 0.164 1.00 0.00 C ATOM 1903 CG2 ILE A 123 -7.908 -1.652 0.453 1.00 0.00 C ATOM 1904 CD1 ILE A 123 -10.620 -2.214 -0.790 1.00 0.00 C ATOM 0 H ILE A 123 -7.576 -4.549 0.762 1.00 0.00 H new ATOM 0 HA ILE A 123 -7.990 -2.704 3.013 1.00 0.00 H new ATOM 0 HB ILE A 123 -9.665 -1.688 1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -9.260 -3.811 -0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -10.619 -3.745 0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -8.341 -0.983 -0.291 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -7.328 -1.071 1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.256 -2.372 -0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -11.213 -2.809 -1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.277 -1.551 -0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -9.897 -1.619 -1.348 1.00 0.00 H new ATOM 1916 N ASP A 124 -9.422 -4.409 4.187 1.00 0.00 N ATOM 1917 CA ASP A 124 -10.332 -5.329 4.824 1.00 0.00 C ATOM 1918 C ASP A 124 -11.616 -4.641 5.237 1.00 0.00 C ATOM 1919 O ASP A 124 -11.625 -3.662 5.986 1.00 0.00 O ATOM 1920 CB ASP A 124 -9.682 -6.018 6.035 1.00 0.00 C ATOM 1921 CG ASP A 124 -9.177 -5.048 7.091 1.00 0.00 C ATOM 1922 OD1 ASP A 124 -8.040 -4.547 6.946 1.00 0.00 O ATOM 1923 OD2 ASP A 124 -9.903 -4.796 8.079 1.00 0.00 O1- ATOM 0 H ASP A 124 -8.776 -3.924 4.810 1.00 0.00 H new ATOM 0 HA ASP A 124 -10.577 -6.095 4.088 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -10.407 -6.692 6.491 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -8.850 -6.631 5.690 1.00 0.00 H new ATOM 1928 N PHE A 125 -12.695 -5.164 4.702 1.00 0.00 N ATOM 1929 CA PHE A 125 -14.024 -4.915 5.211 1.00 0.00 C ATOM 1930 C PHE A 125 -14.533 -6.232 5.760 1.00 0.00 C ATOM 1931 O PHE A 125 -14.254 -7.283 5.180 1.00 0.00 O ATOM 1932 CB PHE A 125 -14.957 -4.401 4.108 1.00 0.00 C ATOM 1933 CG PHE A 125 -14.572 -3.063 3.533 1.00 0.00 C ATOM 1934 CD1 PHE A 125 -13.493 -2.942 2.670 1.00 0.00 C ATOM 1935 CD2 PHE A 125 -15.298 -1.927 3.849 1.00 0.00 C ATOM 1936 CE1 PHE A 125 -13.148 -1.717 2.135 1.00 0.00 C ATOM 1937 CE2 PHE A 125 -14.956 -0.698 3.317 1.00 0.00 C ATOM 1938 CZ PHE A 125 -13.879 -0.592 2.461 1.00 0.00 C ATOM 0 H PHE A 125 -12.674 -5.782 3.891 1.00 0.00 H new ATOM 0 HA PHE A 125 -13.997 -4.146 5.983 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -14.983 -5.134 3.302 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -15.968 -4.332 4.509 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -12.915 -3.818 2.413 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -16.142 -2.002 4.519 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.307 -1.639 1.462 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -15.532 0.180 3.571 1.00 0.00 H new ATOM 0 HZ PHE A 125 -13.609 0.368 2.047 1.00 0.00 H new ATOM 1948 N SER A 126 -15.242 -6.201 6.873 1.00 0.00 N ATOM 1949 CA SER A 126 -15.743 -7.428 7.462 1.00 0.00 C ATOM 1950 C SER A 126 -16.744 -8.082 6.510 1.00 0.00 C ATOM 1951 O SER A 126 -17.894 -7.663 6.425 1.00 0.00 O ATOM 1952 CB SER A 126 -16.394 -7.114 8.806 1.00 0.00 C ATOM 1953 OG SER A 126 -15.603 -6.184 9.540 1.00 0.00 O ATOM 0 H SER A 126 -15.482 -5.350 7.382 1.00 0.00 H new ATOM 0 HA SER A 126 -14.921 -8.125 7.628 1.00 0.00 H new ATOM 0 HB2 SER A 126 -17.392 -6.705 8.646 1.00 0.00 H new ATOM 0 HB3 SER A 126 -16.514 -8.032 9.382 1.00 0.00 H new ATOM 0 HG SER A 126 -15.074 -6.663 10.211 1.00 0.00 H new ATOM 1959 N LEU A 127 -16.291 -9.111 5.803 1.00 0.00 N ATOM 1960 CA LEU A 127 -17.099 -9.760 4.780 1.00 0.00 C ATOM 1961 C LEU A 127 -17.905 -10.897 5.390 1.00 0.00 C ATOM 1962 O LEU A 127 -17.487 -12.054 5.358 1.00 0.00 O ATOM 1963 CB LEU A 127 -16.192 -10.289 3.658 1.00 0.00 C ATOM 1964 CG LEU A 127 -16.770 -10.214 2.236 1.00 0.00 C ATOM 1965 CD1 LEU A 127 -15.728 -10.633 1.217 1.00 0.00 C ATOM 1966 CD2 LEU A 127 -18.005 -11.080 2.083 1.00 0.00 C ATOM 0 H LEU A 127 -15.362 -9.515 5.922 1.00 0.00 H new ATOM 0 HA LEU A 127 -17.793 -9.032 4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -15.257 -9.730 3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -15.947 -11.329 3.875 1.00 0.00 H new ATOM 0 HG LEU A 127 -17.058 -9.177 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -16.154 -10.574 0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -14.866 -9.969 1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -15.414 -11.657 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -18.382 -10.999 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -17.750 -12.119 2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -18.772 -10.746 2.782 1.00 0.00 H new ATOM 1978 N ARG A 128 -19.053 -10.563 5.959 1.00 0.00 N ATOM 1979 CA ARG A 128 -19.929 -11.557 6.543 1.00 0.00 C ATOM 1980 C ARG A 128 -20.698 -12.295 5.454 1.00 0.00 C ATOM 1981 O ARG A 128 -21.210 -13.392 5.675 1.00 0.00 O ATOM 1982 CB ARG A 128 -20.897 -10.893 7.519 1.00 0.00 C ATOM 1983 CG ARG A 128 -20.208 -10.120 8.631 1.00 0.00 C ATOM 1984 CD ARG A 128 -21.208 -9.542 9.619 1.00 0.00 C ATOM 1985 NE ARG A 128 -22.172 -8.646 8.983 1.00 0.00 N ATOM 1986 CZ ARG A 128 -22.470 -7.431 9.446 1.00 0.00 C ATOM 1987 NH1 ARG A 128 -21.802 -6.927 10.481 1.00 0.00 N1+ ATOM 1988 NH2 ARG A 128 -23.417 -6.706 8.862 1.00 0.00 N ATOM 0 H ARG A 128 -19.398 -9.605 6.027 1.00 0.00 H new ATOM 0 HA ARG A 128 -19.322 -12.281 7.087 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -21.548 -10.215 6.967 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -21.535 -11.658 7.962 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -19.516 -10.778 9.157 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -19.615 -9.313 8.200 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -21.742 -10.356 10.108 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -20.672 -8.999 10.398 1.00 0.00 H new ATOM 0 HE ARG A 128 -22.643 -8.968 8.138 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -21.060 -7.470 10.922 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -22.032 -5.998 10.833 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -23.920 -7.078 8.056 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -23.642 -5.777 9.219 1.00 0.00 H new