USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 710 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 Set 1.1: A 82 CYS SG : rot 137:sc= 0.15 USER MOD Set 1.2: A 102 GLN : amide:sc= -4.88! K(o=-4.7!,f=-6) USER MOD Set 2.1: A 50 GLN : amide:sc= 0.652 K(o=1,f=-0.38) USER MOD Set 2.2: A 56 THR OG1 : rot 160:sc= 0.394 USER MOD Set 3.1: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 49 GLN : amide:sc= -0.493 K(o=-2.1,f=-3.6) USER MOD Set 4.2: A 59 THR OG1 : rot -85:sc= 0.508 USER MOD Set 4.3: A 97 GLN : amide:sc= -2.07! C(o=-2.1!,f=-12!) USER MOD Set 5.1: A 45 HIS : no HD1:sc= -4.22! C(o=-8.8!,f=-10!) USER MOD Set 5.2: A 124 HIS : no HE2:sc= -4.55! C(o=-8.8!,f=-13!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc=-0.00159 X(o=-0.0016,f=-0.16) USER MOD Single : A 58 THR OG1 : rot 71:sc= 0.0955 USER MOD Single : A 61 GLN : amide:sc= -7.74! C(o=-7.7!,f=-8.6!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0114) USER MOD Single : A 79 LYS NZ :NH3+ 161:sc= 0.738 (180deg=0.429) USER MOD Single : A 83 ASN : amide:sc= -0.021 X(o=-0.021,f=0) USER MOD Single : A 85 THR OG1 : rot -46:sc= 0.334 USER MOD Single : A 89 HIS : no HD1:sc= -2.86 K(o=-2.9,f=-6.1) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.68) USER MOD Single : A 107 CYS SG : rot -95:sc= -0.625 USER MOD Single : A 108 GLN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN :FLIP amide:sc= -4.31! F(o=-6.7,f=-4.3!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 606 N ASP A 42 0.458 -12.386 -13.209 1.00 0.00 N ATOM 607 CA ASP A 42 -0.142 -11.983 -11.940 1.00 0.00 C ATOM 608 C ASP A 42 0.465 -10.679 -11.431 1.00 0.00 C ATOM 609 O ASP A 42 1.062 -10.637 -10.355 1.00 0.00 O ATOM 610 CB ASP A 42 0.040 -13.086 -10.896 1.00 0.00 C ATOM 611 CG ASP A 42 -0.933 -12.956 -9.741 1.00 0.00 C ATOM 612 OD1 ASP A 42 -2.085 -13.416 -9.880 1.00 0.00 O ATOM 613 OD2 ASP A 42 -0.542 -12.393 -8.697 1.00 0.00 O ATOM 0 HA ASP A 42 -1.206 -11.820 -12.109 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.093 -14.058 -11.371 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.060 -13.055 -10.513 1.00 0.00 H new ATOM 618 N TYR A 43 0.306 -9.618 -12.211 1.00 0.00 N ATOM 619 CA TYR A 43 0.836 -8.312 -11.840 1.00 0.00 C ATOM 620 C TYR A 43 0.208 -7.820 -10.542 1.00 0.00 C ATOM 621 O TYR A 43 -0.693 -8.458 -9.994 1.00 0.00 O ATOM 622 CB TYR A 43 0.583 -7.298 -12.958 1.00 0.00 C ATOM 623 CG TYR A 43 1.152 -7.708 -14.301 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.281 -8.515 -14.390 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.559 -7.280 -15.482 1.00 0.00 C ATOM 626 CE1 TYR A 43 2.801 -8.883 -15.616 1.00 0.00 C ATOM 627 CE2 TYR A 43 1.073 -7.645 -16.712 1.00 0.00 C ATOM 628 CZ TYR A 43 2.193 -8.446 -16.774 1.00 0.00 C ATOM 629 OH TYR A 43 2.708 -8.811 -17.997 1.00 0.00 O ATOM 0 H TYR A 43 -0.186 -9.636 -13.105 1.00 0.00 H new ATOM 0 HA TYR A 43 1.911 -8.414 -11.688 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.491 -7.146 -13.061 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.014 -6.339 -12.670 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.760 -8.860 -13.485 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.318 -6.652 -15.438 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.679 -9.510 -15.667 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.599 -7.304 -17.621 1.00 0.00 H new ATOM 0 HH TYR A 43 2.162 -8.421 -18.711 1.00 0.00 H new ATOM 639 N ILE A 44 0.680 -6.677 -10.059 1.00 0.00 N ATOM 640 CA ILE A 44 0.158 -6.093 -8.830 1.00 0.00 C ATOM 641 C ILE A 44 -0.537 -4.768 -9.128 1.00 0.00 C ATOM 642 O ILE A 44 0.113 -3.742 -9.324 1.00 0.00 O ATOM 643 CB ILE A 44 1.270 -5.870 -7.781 1.00 0.00 C ATOM 644 CG1 ILE A 44 1.982 -7.185 -7.455 1.00 0.00 C ATOM 645 CG2 ILE A 44 0.691 -5.260 -6.512 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.041 -8.323 -7.128 1.00 0.00 C ATOM 0 H ILE A 44 1.424 -6.136 -10.500 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.561 -6.800 -8.415 1.00 0.00 H new ATOM 0 HB ILE A 44 1.999 -5.178 -8.203 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.603 -7.472 -8.304 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.652 -7.025 -6.610 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.488 -5.110 -5.784 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.229 -4.301 -6.747 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.059 -5.932 -6.095 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.619 -9.221 -6.908 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.437 -8.058 -6.260 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.388 -8.511 -7.980 1.00 0.00 H new ATOM 658 N HIS A 45 -1.864 -4.809 -9.179 1.00 0.00 N ATOM 659 CA HIS A 45 -2.663 -3.626 -9.475 1.00 0.00 C ATOM 660 C HIS A 45 -2.527 -2.555 -8.398 1.00 0.00 C ATOM 661 O HIS A 45 -2.453 -2.852 -7.205 1.00 0.00 O ATOM 662 CB HIS A 45 -4.133 -4.014 -9.636 1.00 0.00 C ATOM 663 CG HIS A 45 -4.650 -3.848 -11.029 1.00 0.00 C ATOM 664 ND1 HIS A 45 -4.275 -4.663 -12.076 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.528 -2.956 -11.544 1.00 0.00 C ATOM 666 CE1 HIS A 45 -4.899 -4.279 -13.176 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.667 -3.246 -12.879 1.00 0.00 N ATOM 0 H HIS A 45 -2.412 -5.654 -9.018 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.287 -3.205 -10.407 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.261 -5.053 -9.332 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.736 -3.408 -8.960 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.026 -2.164 -11.005 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.798 -4.732 -14.151 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.266 -2.745 -13.535 1.00 0.00 H new ATOM 676 N ILE A 46 -2.522 -1.304 -8.843 1.00 0.00 N ATOM 677 CA ILE A 46 -2.427 -0.153 -7.957 1.00 0.00 C ATOM 678 C ILE A 46 -3.410 0.920 -8.418 1.00 0.00 C ATOM 679 O ILE A 46 -3.172 1.606 -9.412 1.00 0.00 O ATOM 680 CB ILE A 46 -0.993 0.423 -7.914 1.00 0.00 C ATOM 681 CG1 ILE A 46 -0.161 -0.316 -6.872 1.00 0.00 C ATOM 682 CG2 ILE A 46 -1.019 1.909 -7.591 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.452 -1.600 -7.372 1.00 0.00 C ATOM 0 H ILE A 46 -2.584 -1.060 -9.831 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.677 -0.479 -6.947 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.541 0.287 -8.897 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.635 0.343 -6.524 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.791 -0.538 -6.010 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.001 2.294 -7.566 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.588 2.438 -8.356 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.489 2.062 -6.619 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.027 -2.064 -6.571 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.338 -2.280 -7.693 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.110 -1.385 -8.214 1.00 0.00 H new ATOM 695 N ARG A 47 -4.522 1.041 -7.705 1.00 0.00 N ATOM 696 CA ARG A 47 -5.551 2.010 -8.058 1.00 0.00 C ATOM 697 C ARG A 47 -5.853 2.962 -6.906 1.00 0.00 C ATOM 698 O ARG A 47 -5.947 2.552 -5.749 1.00 0.00 O ATOM 699 CB ARG A 47 -6.834 1.288 -8.477 1.00 0.00 C ATOM 700 CG ARG A 47 -6.660 0.390 -9.691 1.00 0.00 C ATOM 701 CD ARG A 47 -7.537 0.839 -10.850 1.00 0.00 C ATOM 702 NE ARG A 47 -8.919 0.386 -10.699 1.00 0.00 N ATOM 703 CZ ARG A 47 -9.372 -0.786 -11.140 1.00 0.00 C ATOM 704 NH1 ARG A 47 -8.561 -1.631 -11.764 1.00 0.00 N ATOM 705 NH2 ARG A 47 -10.644 -1.115 -10.955 1.00 0.00 N ATOM 0 H ARG A 47 -4.734 0.481 -6.879 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.171 2.600 -8.892 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.193 0.688 -7.641 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.604 2.029 -8.691 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.615 0.395 -10.001 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.908 -0.637 -9.423 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.518 1.927 -10.919 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.129 0.453 -11.784 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.577 1.006 -10.227 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.582 -1.385 -11.909 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.917 -2.527 -12.098 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.273 -0.471 -10.476 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.993 -2.012 -11.292 1.00 0.00 H new ATOM 719 N ILE A 48 -6.015 4.236 -7.243 1.00 0.00 N ATOM 720 CA ILE A 48 -6.322 5.266 -6.256 1.00 0.00 C ATOM 721 C ILE A 48 -7.832 5.470 -6.134 1.00 0.00 C ATOM 722 O ILE A 48 -8.582 5.211 -7.076 1.00 0.00 O ATOM 723 CB ILE A 48 -5.654 6.612 -6.627 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.159 6.576 -6.307 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.322 7.775 -5.902 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.450 7.881 -6.603 1.00 0.00 C ATOM 0 H ILE A 48 -5.938 4.583 -8.199 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.926 4.926 -5.299 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.779 6.763 -7.699 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.026 6.329 -5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.691 5.778 -6.883 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.832 8.708 -6.182 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.375 7.821 -6.180 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.237 7.629 -4.825 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.393 7.786 -6.353 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.553 8.119 -7.662 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.893 8.679 -6.007 1.00 0.00 H new ATOM 738 N GLN A 49 -8.266 5.950 -4.973 1.00 0.00 N ATOM 739 CA GLN A 49 -9.680 6.209 -4.729 1.00 0.00 C ATOM 740 C GLN A 49 -9.859 7.516 -3.960 1.00 0.00 C ATOM 741 O GLN A 49 -9.815 7.540 -2.731 1.00 0.00 O ATOM 742 CB GLN A 49 -10.317 5.048 -3.961 1.00 0.00 C ATOM 743 CG GLN A 49 -9.767 4.864 -2.555 1.00 0.00 C ATOM 744 CD GLN A 49 -9.424 3.419 -2.248 1.00 0.00 C ATOM 745 OE1 GLN A 49 -8.386 2.911 -2.672 1.00 0.00 O ATOM 746 NE2 GLN A 49 -10.299 2.749 -1.507 1.00 0.00 N ATOM 0 H GLN A 49 -7.657 6.168 -4.185 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.182 6.301 -5.692 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.393 5.212 -3.901 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.166 4.127 -4.523 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.875 5.479 -2.434 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.501 5.221 -1.832 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.147 3.210 -1.177 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.123 1.773 -1.268 1.00 0.00 H new ATOM 755 N GLN A 50 -10.046 8.605 -4.699 1.00 0.00 N ATOM 756 CA GLN A 50 -10.214 9.920 -4.091 1.00 0.00 C ATOM 757 C GLN A 50 -11.685 10.251 -3.870 1.00 0.00 C ATOM 758 O GLN A 50 -12.457 10.374 -4.822 1.00 0.00 O ATOM 759 CB GLN A 50 -9.563 10.993 -4.966 1.00 0.00 C ATOM 760 CG GLN A 50 -8.740 12.002 -4.182 1.00 0.00 C ATOM 761 CD GLN A 50 -7.934 12.921 -5.077 1.00 0.00 C ATOM 762 OE1 GLN A 50 -8.339 13.225 -6.199 1.00 0.00 O ATOM 763 NE2 GLN A 50 -6.786 13.369 -4.584 1.00 0.00 N ATOM 0 H GLN A 50 -10.085 8.603 -5.718 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.724 9.900 -3.117 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.923 10.509 -5.703 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.341 11.521 -5.517 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.404 12.600 -3.558 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.065 11.471 -3.511 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.490 13.091 -3.649 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.200 13.991 -5.141 1.00 0.00 H new ATOM 772 N ARG A 51 -12.064 10.408 -2.605 1.00 0.00 N ATOM 773 CA ARG A 51 -13.437 10.741 -2.252 1.00 0.00 C ATOM 774 C ARG A 51 -13.602 12.253 -2.152 1.00 0.00 C ATOM 775 O ARG A 51 -12.857 12.922 -1.436 1.00 0.00 O ATOM 776 CB ARG A 51 -13.824 10.081 -0.928 1.00 0.00 C ATOM 777 CG ARG A 51 -13.489 8.598 -0.866 1.00 0.00 C ATOM 778 CD ARG A 51 -12.911 8.212 0.487 1.00 0.00 C ATOM 779 NE ARG A 51 -13.929 7.665 1.381 1.00 0.00 N ATOM 780 CZ ARG A 51 -14.386 6.417 1.308 1.00 0.00 C ATOM 781 NH1 ARG A 51 -13.920 5.586 0.383 1.00 0.00 N ATOM 782 NH2 ARG A 51 -15.310 5.999 2.161 1.00 0.00 N ATOM 0 H ARG A 51 -11.437 10.309 -1.807 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.097 10.365 -3.034 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.314 10.595 -0.113 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.894 10.210 -0.766 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -14.388 8.013 -1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.774 8.352 -1.651 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.119 7.477 0.346 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.455 9.087 0.949 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.312 8.275 2.103 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.209 5.903 -0.276 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.273 4.631 0.331 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.671 6.634 2.873 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -15.660 5.043 2.105 1.00 0.00 H new ATOM 796 N ASN A 52 -14.574 12.790 -2.882 1.00 0.00 N ATOM 797 CA ASN A 52 -14.822 14.228 -2.884 1.00 0.00 C ATOM 798 C ASN A 52 -13.646 14.978 -3.502 1.00 0.00 C ATOM 799 O ASN A 52 -13.461 16.171 -3.260 1.00 0.00 O ATOM 800 CB ASN A 52 -15.074 14.730 -1.459 1.00 0.00 C ATOM 801 CG ASN A 52 -16.172 15.773 -1.401 1.00 0.00 C ATOM 802 OD1 ASN A 52 -17.281 15.552 -1.887 1.00 0.00 O ATOM 803 ND2 ASN A 52 -15.868 16.919 -0.804 1.00 0.00 N ATOM 0 H ASN A 52 -15.202 12.252 -3.479 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.710 14.418 -3.487 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.343 13.887 -0.822 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -14.153 15.153 -1.057 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.567 17.659 -0.735 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.936 17.060 -0.415 1.00 0.00 H new ATOM 810 N GLY A 53 -12.856 14.271 -4.305 1.00 0.00 N ATOM 811 CA GLY A 53 -11.709 14.882 -4.950 1.00 0.00 C ATOM 812 C GLY A 53 -10.653 15.337 -3.960 1.00 0.00 C ATOM 813 O GLY A 53 -10.001 16.361 -4.170 1.00 0.00 O ATOM 0 H GLY A 53 -12.991 13.283 -4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.266 14.169 -5.645 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.041 15.737 -5.539 1.00 0.00 H new ATOM 817 N ARG A 54 -10.479 14.579 -2.883 1.00 0.00 N ATOM 818 CA ARG A 54 -9.489 14.921 -1.867 1.00 0.00 C ATOM 819 C ARG A 54 -9.007 13.682 -1.121 1.00 0.00 C ATOM 820 O ARG A 54 -7.836 13.316 -1.207 1.00 0.00 O ATOM 821 CB ARG A 54 -10.073 15.931 -0.876 1.00 0.00 C ATOM 822 CG ARG A 54 -10.786 17.096 -1.541 1.00 0.00 C ATOM 823 CD ARG A 54 -11.177 18.161 -0.529 1.00 0.00 C ATOM 824 NE ARG A 54 -11.656 19.380 -1.175 1.00 0.00 N ATOM 825 CZ ARG A 54 -10.872 20.217 -1.852 1.00 0.00 C ATOM 826 NH1 ARG A 54 -9.574 19.971 -1.972 1.00 0.00 N ATOM 827 NH2 ARG A 54 -11.389 21.304 -2.409 1.00 0.00 N ATOM 0 H ARG A 54 -11.007 13.728 -2.691 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.633 15.367 -2.374 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.772 15.417 -0.217 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.270 16.318 -0.249 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.139 17.534 -2.300 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.678 16.734 -2.053 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.954 17.769 0.128 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.318 18.397 0.099 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.649 19.603 -1.104 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.171 19.137 -1.545 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.979 20.616 -2.492 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.386 21.498 -2.319 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.789 21.946 -2.928 1.00 0.00 H new ATOM 841 N LYS A 55 -9.914 13.044 -0.388 1.00 0.00 N ATOM 842 CA LYS A 55 -9.575 11.845 0.374 1.00 0.00 C ATOM 843 C LYS A 55 -9.072 10.744 -0.554 1.00 0.00 C ATOM 844 O LYS A 55 -9.824 9.846 -0.933 1.00 0.00 O ATOM 845 CB LYS A 55 -10.792 11.354 1.161 1.00 0.00 C ATOM 846 CG LYS A 55 -11.003 12.090 2.474 1.00 0.00 C ATOM 847 CD LYS A 55 -9.770 12.020 3.359 1.00 0.00 C ATOM 848 CE LYS A 55 -8.979 13.318 3.318 1.00 0.00 C ATOM 849 NZ LYS A 55 -7.523 13.090 3.528 1.00 0.00 N ATOM 0 H LYS A 55 -10.888 13.336 -0.305 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.780 12.098 1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.683 11.466 0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.677 10.289 1.365 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.248 13.133 2.272 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.854 11.659 3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.069 11.808 4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.135 11.195 3.035 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.134 13.807 2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.354 13.996 4.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.020 14.000 3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.371 12.647 4.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.158 12.464 2.782 1.00 0.00 H new ATOM 863 N THR A 56 -7.798 10.828 -0.922 1.00 0.00 N ATOM 864 CA THR A 56 -7.191 9.851 -1.815 1.00 0.00 C ATOM 865 C THR A 56 -6.717 8.619 -1.052 1.00 0.00 C ATOM 866 O THR A 56 -6.185 8.724 0.052 1.00 0.00 O ATOM 867 CB THR A 56 -6.017 10.486 -2.566 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.038 11.895 -2.432 1.00 0.00 O ATOM 869 CG2 THR A 56 -6.013 10.167 -4.043 1.00 0.00 C ATOM 0 H THR A 56 -7.165 11.566 -0.614 1.00 0.00 H new ATOM 0 HA THR A 56 -7.949 9.532 -2.530 1.00 0.00 H new ATOM 0 HB THR A 56 -5.121 10.061 -2.114 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.148 12.255 -2.627 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.156 10.647 -4.517 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.947 9.088 -4.182 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.932 10.536 -4.497 1.00 0.00 H new ATOM 877 N LEU A 57 -6.912 7.453 -1.657 1.00 0.00 N ATOM 878 CA LEU A 57 -6.504 6.192 -1.051 1.00 0.00 C ATOM 879 C LEU A 57 -6.046 5.212 -2.130 1.00 0.00 C ATOM 880 O LEU A 57 -6.832 4.814 -2.991 1.00 0.00 O ATOM 881 CB LEU A 57 -7.660 5.588 -0.249 1.00 0.00 C ATOM 882 CG LEU A 57 -7.478 5.624 1.270 1.00 0.00 C ATOM 883 CD1 LEU A 57 -7.704 7.031 1.799 1.00 0.00 C ATOM 884 CD2 LEU A 57 -8.420 4.636 1.948 1.00 0.00 C ATOM 0 H LEU A 57 -7.353 7.355 -2.572 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.672 6.385 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.577 6.120 -0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.796 4.552 -0.560 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.454 5.330 1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.571 7.039 2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.987 7.712 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.717 7.353 1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -8.275 4.677 3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.452 4.895 1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.208 3.628 1.592 1.00 0.00 H new ATOM 896 N THR A 58 -4.774 4.834 -2.092 1.00 0.00 N ATOM 897 CA THR A 58 -4.225 3.909 -3.079 1.00 0.00 C ATOM 898 C THR A 58 -4.312 2.464 -2.595 1.00 0.00 C ATOM 899 O THR A 58 -3.878 2.144 -1.490 1.00 0.00 O ATOM 900 CB THR A 58 -2.770 4.267 -3.385 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.638 5.654 -3.645 1.00 0.00 O ATOM 902 CG2 THR A 58 -2.209 3.521 -4.577 1.00 0.00 C ATOM 0 H THR A 58 -4.104 5.152 -1.391 1.00 0.00 H new ATOM 0 HA THR A 58 -4.819 4.000 -3.988 1.00 0.00 H new ATOM 0 HB THR A 58 -2.208 3.977 -2.497 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.763 6.156 -2.813 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.174 3.821 -4.740 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.250 2.448 -4.387 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.798 3.756 -5.463 1.00 0.00 H new ATOM 910 N THR A 59 -4.869 1.591 -3.432 1.00 0.00 N ATOM 911 CA THR A 59 -5.002 0.179 -3.082 1.00 0.00 C ATOM 912 C THR A 59 -4.060 -0.683 -3.915 1.00 0.00 C ATOM 913 O THR A 59 -3.749 -0.352 -5.058 1.00 0.00 O ATOM 914 CB THR A 59 -6.445 -0.295 -3.279 1.00 0.00 C ATOM 915 OG1 THR A 59 -7.159 0.601 -4.113 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.214 -0.429 -1.983 1.00 0.00 C ATOM 0 H THR A 59 -5.234 1.835 -4.353 1.00 0.00 H new ATOM 0 HA THR A 59 -4.734 0.074 -2.031 1.00 0.00 H new ATOM 0 HB THR A 59 -6.364 -1.281 -3.737 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.518 1.336 -3.573 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.228 -0.768 -2.195 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.716 -1.153 -1.338 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.252 0.538 -1.481 1.00 0.00 H new ATOM 924 N VAL A 60 -3.615 -1.793 -3.335 1.00 0.00 N ATOM 925 CA VAL A 60 -2.714 -2.711 -4.023 1.00 0.00 C ATOM 926 C VAL A 60 -3.300 -4.118 -4.066 1.00 0.00 C ATOM 927 O VAL A 60 -3.629 -4.698 -3.031 1.00 0.00 O ATOM 928 CB VAL A 60 -1.333 -2.757 -3.343 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.404 -3.728 -4.058 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.728 -1.366 -3.300 1.00 0.00 C ATOM 0 H VAL A 60 -3.864 -2.079 -2.388 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.593 -2.339 -5.040 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.463 -3.114 -2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.564 -3.741 -3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.837 -4.728 -4.037 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.273 -3.411 -5.093 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.248 -1.409 -2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.614 -0.987 -4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.383 -0.702 -2.736 1.00 0.00 H new ATOM 940 N GLN A 61 -3.430 -4.657 -5.271 1.00 0.00 N ATOM 941 CA GLN A 61 -3.978 -5.997 -5.455 1.00 0.00 C ATOM 942 C GLN A 61 -2.919 -6.934 -6.017 1.00 0.00 C ATOM 943 O GLN A 61 -2.133 -6.551 -6.884 1.00 0.00 O ATOM 944 CB GLN A 61 -5.192 -5.963 -6.392 1.00 0.00 C ATOM 945 CG GLN A 61 -5.673 -4.558 -6.721 1.00 0.00 C ATOM 946 CD GLN A 61 -6.923 -4.531 -7.590 1.00 0.00 C ATOM 947 OE1 GLN A 61 -7.669 -3.553 -7.582 1.00 0.00 O ATOM 948 NE2 GLN A 61 -7.160 -5.600 -8.346 1.00 0.00 N ATOM 0 H GLN A 61 -3.164 -4.188 -6.137 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.297 -6.367 -4.481 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -4.938 -6.477 -7.319 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.010 -6.519 -5.933 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.875 -4.025 -5.792 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.874 -4.019 -7.231 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.517 -6.392 -8.325 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.984 -5.628 -8.946 1.00 0.00 H new ATOM 957 N GLY A 62 -2.900 -8.161 -5.516 1.00 0.00 N ATOM 958 CA GLY A 62 -1.931 -9.132 -5.977 1.00 0.00 C ATOM 959 C GLY A 62 -0.964 -9.536 -4.882 1.00 0.00 C ATOM 960 O GLY A 62 -0.440 -10.650 -4.883 1.00 0.00 O ATOM 0 H GLY A 62 -3.539 -8.501 -4.798 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.451 -10.016 -6.345 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.374 -8.717 -6.817 1.00 0.00 H new ATOM 964 N ILE A 63 -0.732 -8.624 -3.944 1.00 0.00 N ATOM 965 CA ILE A 63 0.173 -8.881 -2.831 1.00 0.00 C ATOM 966 C ILE A 63 -0.323 -10.056 -1.993 1.00 0.00 C ATOM 967 O ILE A 63 -1.527 -10.281 -1.870 1.00 0.00 O ATOM 968 CB ILE A 63 0.335 -7.613 -1.953 1.00 0.00 C ATOM 969 CG1 ILE A 63 1.114 -6.529 -2.715 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.024 -7.931 -0.631 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.230 -7.063 -3.586 1.00 0.00 C ATOM 0 H ILE A 63 -1.160 -7.698 -3.933 1.00 0.00 H new ATOM 0 HA ILE A 63 1.150 -9.141 -3.239 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.663 -7.238 -1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.418 -5.968 -3.339 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.534 -5.826 -1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.120 -7.019 -0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.431 -8.659 -0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.014 -8.343 -0.827 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.728 -6.234 -4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.950 -7.598 -2.967 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.816 -7.742 -4.331 1.00 0.00 H new ATOM 983 N ALA A 64 0.617 -10.808 -1.430 1.00 0.00 N ATOM 984 CA ALA A 64 0.282 -11.969 -0.616 1.00 0.00 C ATOM 985 C ALA A 64 0.125 -11.595 0.850 1.00 0.00 C ATOM 986 O ALA A 64 0.999 -10.957 1.437 1.00 0.00 O ATOM 987 CB ALA A 64 1.346 -13.043 -0.776 1.00 0.00 C ATOM 0 H ALA A 64 1.618 -10.633 -1.523 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.675 -12.358 -0.963 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.086 -13.906 -0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.404 -13.344 -1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.311 -12.649 -0.457 1.00 0.00 H new ATOM 993 N ASP A 65 -0.990 -12.009 1.442 1.00 0.00 N ATOM 994 CA ASP A 65 -1.257 -11.731 2.846 1.00 0.00 C ATOM 995 C ASP A 65 -0.144 -12.297 3.726 1.00 0.00 C ATOM 996 O ASP A 65 0.051 -11.856 4.858 1.00 0.00 O ATOM 997 CB ASP A 65 -2.604 -12.325 3.260 1.00 0.00 C ATOM 998 CG ASP A 65 -3.122 -11.737 4.558 1.00 0.00 C ATOM 999 OD1 ASP A 65 -2.308 -11.179 5.324 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -4.342 -11.833 4.809 1.00 0.00 O ATOM 0 H ASP A 65 -1.723 -12.538 0.970 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.292 -10.650 2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.333 -12.150 2.469 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.504 -13.405 3.368 1.00 0.00 H new ATOM 1005 N ASP A 66 0.587 -13.274 3.190 1.00 0.00 N ATOM 1006 CA ASP A 66 1.684 -13.895 3.920 1.00 0.00 C ATOM 1007 C ASP A 66 2.768 -12.872 4.239 1.00 0.00 C ATOM 1008 O ASP A 66 3.509 -13.021 5.209 1.00 0.00 O ATOM 1009 CB ASP A 66 2.276 -15.049 3.109 1.00 0.00 C ATOM 1010 CG ASP A 66 2.773 -16.180 3.988 1.00 0.00 C ATOM 1011 OD1 ASP A 66 1.977 -17.095 4.285 1.00 0.00 O ATOM 1012 OD2 ASP A 66 3.959 -16.151 4.379 1.00 0.00 O ATOM 0 H ASP A 66 0.437 -13.650 2.254 1.00 0.00 H new ATOM 0 HA ASP A 66 1.290 -14.286 4.858 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.521 -15.431 2.422 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.100 -14.676 2.501 1.00 0.00 H new ATOM 1017 N TYR A 67 2.853 -11.827 3.416 1.00 0.00 N ATOM 1018 CA TYR A 67 3.843 -10.775 3.611 1.00 0.00 C ATOM 1019 C TYR A 67 3.849 -10.295 5.057 1.00 0.00 C ATOM 1020 O TYR A 67 2.988 -10.674 5.852 1.00 0.00 O ATOM 1021 CB TYR A 67 3.542 -9.592 2.690 1.00 0.00 C ATOM 1022 CG TYR A 67 3.742 -9.869 1.217 1.00 0.00 C ATOM 1023 CD1 TYR A 67 3.980 -11.154 0.737 1.00 0.00 C ATOM 1024 CD2 TYR A 67 3.690 -8.831 0.304 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.160 -11.386 -0.614 1.00 0.00 C ATOM 1026 CE2 TYR A 67 3.865 -9.052 -1.042 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.101 -10.330 -1.499 1.00 0.00 C ATOM 1028 OH TYR A 67 4.278 -10.555 -2.846 1.00 0.00 O ATOM 0 H TYR A 67 2.246 -11.689 2.608 1.00 0.00 H new ATOM 0 HA TYR A 67 4.823 -11.187 3.372 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.510 -9.278 2.850 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.178 -8.755 2.978 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.025 -11.981 1.430 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.508 -7.826 0.656 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.346 -12.387 -0.974 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.818 -8.227 -1.738 1.00 0.00 H new ATOM 0 HH TYR A 67 4.205 -9.707 -3.332 1.00 0.00 H new ATOM 1038 N ASP A 68 4.815 -9.449 5.390 1.00 0.00 N ATOM 1039 CA ASP A 68 4.917 -8.906 6.736 1.00 0.00 C ATOM 1040 C ASP A 68 3.933 -7.755 6.912 1.00 0.00 C ATOM 1041 O ASP A 68 4.334 -6.616 7.136 1.00 0.00 O ATOM 1042 CB ASP A 68 6.346 -8.427 7.009 1.00 0.00 C ATOM 1043 CG ASP A 68 6.696 -8.467 8.484 1.00 0.00 C ATOM 1044 OD1 ASP A 68 5.768 -8.397 9.317 1.00 0.00 O ATOM 1045 OD2 ASP A 68 7.899 -8.567 8.805 1.00 0.00 O ATOM 0 H ASP A 68 5.537 -9.125 4.747 1.00 0.00 H new ATOM 0 HA ASP A 68 4.671 -9.692 7.450 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.048 -9.050 6.455 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.462 -7.409 6.638 1.00 0.00 H new ATOM 1050 N LYS A 69 2.641 -8.069 6.791 1.00 0.00 N ATOM 1051 CA LYS A 69 1.568 -7.077 6.920 1.00 0.00 C ATOM 1052 C LYS A 69 1.941 -5.943 7.874 1.00 0.00 C ATOM 1053 O LYS A 69 1.900 -4.768 7.503 1.00 0.00 O ATOM 1054 CB LYS A 69 0.284 -7.753 7.401 1.00 0.00 C ATOM 1055 CG LYS A 69 -0.930 -6.837 7.381 1.00 0.00 C ATOM 1056 CD LYS A 69 -1.768 -6.991 8.641 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.640 -8.235 8.581 1.00 0.00 C ATOM 1058 NZ LYS A 69 -2.078 -9.346 9.398 1.00 0.00 N ATOM 0 H LYS A 69 2.309 -9.015 6.601 1.00 0.00 H new ATOM 0 HA LYS A 69 1.411 -6.641 5.934 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.084 -8.622 6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.435 -8.120 8.416 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.604 -5.801 7.285 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.541 -7.061 6.507 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.113 -7.046 9.510 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.397 -6.110 8.771 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.642 -7.994 8.936 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.739 -8.560 7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.701 -10.176 9.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.132 -9.594 9.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.007 -9.045 10.391 1.00 0.00 H new ATOM 1072 N LYS A 70 2.305 -6.302 9.101 1.00 0.00 N ATOM 1073 CA LYS A 70 2.685 -5.316 10.108 1.00 0.00 C ATOM 1074 C LYS A 70 3.688 -4.313 9.545 1.00 0.00 C ATOM 1075 O LYS A 70 3.529 -3.105 9.704 1.00 0.00 O ATOM 1076 CB LYS A 70 3.280 -6.011 11.334 1.00 0.00 C ATOM 1077 CG LYS A 70 2.267 -6.826 12.122 1.00 0.00 C ATOM 1078 CD LYS A 70 2.510 -6.720 13.621 1.00 0.00 C ATOM 1079 CE LYS A 70 2.398 -8.076 14.301 1.00 0.00 C ATOM 1080 NZ LYS A 70 2.949 -8.054 15.686 1.00 0.00 N ATOM 0 H LYS A 70 2.345 -7.269 9.423 1.00 0.00 H new ATOM 0 HA LYS A 70 1.786 -4.775 10.403 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.090 -6.666 11.013 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.719 -5.259 11.990 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.260 -6.479 11.890 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.322 -7.871 11.816 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.500 -6.302 13.801 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.788 -6.031 14.060 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.352 -8.381 14.332 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.930 -8.822 13.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.853 -8.997 16.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.954 -7.788 15.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.425 -7.361 16.257 1.00 0.00 H new ATOM 1094 N LYS A 71 4.723 -4.826 8.886 1.00 0.00 N ATOM 1095 CA LYS A 71 5.754 -3.979 8.299 1.00 0.00 C ATOM 1096 C LYS A 71 5.405 -3.583 6.864 1.00 0.00 C ATOM 1097 O LYS A 71 6.008 -2.668 6.303 1.00 0.00 O ATOM 1098 CB LYS A 71 7.105 -4.696 8.325 1.00 0.00 C ATOM 1099 CG LYS A 71 7.782 -4.668 9.686 1.00 0.00 C ATOM 1100 CD LYS A 71 9.095 -5.435 9.671 1.00 0.00 C ATOM 1101 CE LYS A 71 9.290 -6.231 10.951 1.00 0.00 C ATOM 1102 NZ LYS A 71 9.956 -5.424 12.011 1.00 0.00 N ATOM 0 H LYS A 71 4.869 -5.826 8.746 1.00 0.00 H new ATOM 0 HA LYS A 71 5.814 -3.069 8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.963 -5.733 8.020 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.766 -4.236 7.590 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.966 -3.635 9.981 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.116 -5.099 10.434 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.114 -6.110 8.815 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.923 -4.738 9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.322 -6.578 11.313 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.888 -7.117 10.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.071 -6.003 12.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.890 -5.113 11.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.373 -4.591 12.231 1.00 0.00 H new ATOM 1116 N LEU A 72 4.437 -4.277 6.269 1.00 0.00 N ATOM 1117 CA LEU A 72 4.028 -3.988 4.899 1.00 0.00 C ATOM 1118 C LEU A 72 3.560 -2.542 4.760 1.00 0.00 C ATOM 1119 O LEU A 72 3.941 -1.845 3.821 1.00 0.00 O ATOM 1120 CB LEU A 72 2.923 -4.949 4.451 1.00 0.00 C ATOM 1121 CG LEU A 72 3.034 -5.413 2.998 1.00 0.00 C ATOM 1122 CD1 LEU A 72 2.885 -4.230 2.056 1.00 0.00 C ATOM 1123 CD2 LEU A 72 4.363 -6.116 2.775 1.00 0.00 C ATOM 0 H LEU A 72 3.924 -5.039 6.712 1.00 0.00 H new ATOM 0 HA LEU A 72 4.896 -4.129 4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.936 -5.824 5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.958 -4.462 4.591 1.00 0.00 H new ATOM 0 HG LEU A 72 2.231 -6.120 2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.966 -4.574 1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.911 -3.764 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.671 -3.502 2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.432 -6.443 1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.180 -5.428 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.431 -6.982 3.433 1.00 0.00 H new ATOM 1135 N VAL A 73 2.737 -2.094 5.703 1.00 0.00 N ATOM 1136 CA VAL A 73 2.230 -0.725 5.680 1.00 0.00 C ATOM 1137 C VAL A 73 2.988 0.159 6.664 1.00 0.00 C ATOM 1138 O VAL A 73 3.149 1.358 6.437 1.00 0.00 O ATOM 1139 CB VAL A 73 0.723 -0.660 6.005 1.00 0.00 C ATOM 1140 CG1 VAL A 73 -0.107 -0.929 4.758 1.00 0.00 C ATOM 1141 CG2 VAL A 73 0.365 -1.640 7.114 1.00 0.00 C ATOM 0 H VAL A 73 2.408 -2.655 6.489 1.00 0.00 H new ATOM 0 HA VAL A 73 2.384 -0.358 4.665 1.00 0.00 H new ATOM 0 HB VAL A 73 0.494 0.346 6.357 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.167 -0.879 5.008 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.123 -0.181 4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.128 -1.921 4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.702 -1.576 7.326 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.612 -2.653 6.798 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.929 -1.393 8.014 1.00 0.00 H new ATOM 1151 N LYS A 74 3.457 -0.438 7.757 1.00 0.00 N ATOM 1152 CA LYS A 74 4.201 0.306 8.767 1.00 0.00 C ATOM 1153 C LYS A 74 5.459 0.917 8.161 1.00 0.00 C ATOM 1154 O LYS A 74 5.787 2.073 8.426 1.00 0.00 O ATOM 1155 CB LYS A 74 4.578 -0.603 9.936 1.00 0.00 C ATOM 1156 CG LYS A 74 5.349 0.107 11.037 1.00 0.00 C ATOM 1157 CD LYS A 74 5.396 -0.724 12.309 1.00 0.00 C ATOM 1158 CE LYS A 74 4.356 -0.261 13.317 1.00 0.00 C ATOM 1159 NZ LYS A 74 3.670 -1.408 13.976 1.00 0.00 N ATOM 0 H LYS A 74 3.335 -1.429 7.964 1.00 0.00 H new ATOM 0 HA LYS A 74 3.561 1.107 9.137 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.670 -1.032 10.359 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.178 -1.432 9.561 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.364 0.312 10.697 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.882 1.069 11.247 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.227 -1.773 12.066 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.389 -0.656 12.753 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.836 0.359 14.075 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.617 0.364 12.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.969 -1.049 14.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.190 -1.986 13.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.371 -1.991 14.477 1.00 0.00 H new ATOM 1173 N ALA A 75 6.155 0.137 7.340 1.00 0.00 N ATOM 1174 CA ALA A 75 7.370 0.613 6.693 1.00 0.00 C ATOM 1175 C ALA A 75 7.047 1.753 5.737 1.00 0.00 C ATOM 1176 O ALA A 75 7.840 2.677 5.561 1.00 0.00 O ATOM 1177 CB ALA A 75 8.064 -0.522 5.958 1.00 0.00 C ATOM 0 H ALA A 75 5.899 -0.823 7.108 1.00 0.00 H new ATOM 0 HA ALA A 75 8.048 0.986 7.460 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.969 -0.147 5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.326 -1.308 6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.395 -0.927 5.199 1.00 0.00 H new ATOM 1183 N PHE A 76 5.866 1.681 5.129 1.00 0.00 N ATOM 1184 CA PHE A 76 5.419 2.709 4.199 1.00 0.00 C ATOM 1185 C PHE A 76 5.338 4.062 4.901 1.00 0.00 C ATOM 1186 O PHE A 76 5.767 5.081 4.361 1.00 0.00 O ATOM 1187 CB PHE A 76 4.051 2.339 3.625 1.00 0.00 C ATOM 1188 CG PHE A 76 3.767 2.994 2.306 1.00 0.00 C ATOM 1189 CD1 PHE A 76 4.255 2.449 1.131 1.00 0.00 C ATOM 1190 CD2 PHE A 76 3.019 4.157 2.242 1.00 0.00 C ATOM 1191 CE1 PHE A 76 4.003 3.051 -0.084 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.764 4.765 1.030 1.00 0.00 C ATOM 1193 CZ PHE A 76 3.256 4.211 -0.136 1.00 0.00 C ATOM 0 H PHE A 76 5.202 0.919 5.265 1.00 0.00 H new ATOM 0 HA PHE A 76 6.141 2.778 3.385 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.995 1.257 3.506 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.276 2.622 4.338 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.840 1.542 1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.631 4.593 3.151 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.390 2.616 -0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.180 5.673 0.993 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.057 4.684 -1.086 1.00 0.00 H new ATOM 1203 N LYS A 77 4.788 4.058 6.112 1.00 0.00 N ATOM 1204 CA LYS A 77 4.650 5.279 6.898 1.00 0.00 C ATOM 1205 C LYS A 77 6.014 5.842 7.293 1.00 0.00 C ATOM 1206 O LYS A 77 6.120 6.994 7.712 1.00 0.00 O ATOM 1207 CB LYS A 77 3.821 5.008 8.155 1.00 0.00 C ATOM 1208 CG LYS A 77 2.468 4.377 7.871 1.00 0.00 C ATOM 1209 CD LYS A 77 2.117 3.319 8.906 1.00 0.00 C ATOM 1210 CE LYS A 77 1.142 3.854 9.945 1.00 0.00 C ATOM 1211 NZ LYS A 77 1.799 4.072 11.264 1.00 0.00 N ATOM 0 H LYS A 77 4.430 3.220 6.571 1.00 0.00 H new ATOM 0 HA LYS A 77 4.140 6.017 6.279 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.386 4.352 8.817 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.669 5.946 8.689 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.699 5.150 7.864 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.476 3.927 6.878 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.680 2.453 8.408 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.026 2.978 9.401 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.715 4.793 9.593 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.316 3.153 10.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.101 4.437 11.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.184 3.171 11.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.571 4.761 11.158 1.00 0.00 H new ATOM 1225 N LYS A 78 7.054 5.025 7.166 1.00 0.00 N ATOM 1226 CA LYS A 78 8.403 5.451 7.518 1.00 0.00 C ATOM 1227 C LYS A 78 9.167 5.946 6.293 1.00 0.00 C ATOM 1228 O LYS A 78 10.172 6.646 6.420 1.00 0.00 O ATOM 1229 CB LYS A 78 9.165 4.297 8.168 1.00 0.00 C ATOM 1230 CG LYS A 78 10.375 4.745 8.974 1.00 0.00 C ATOM 1231 CD LYS A 78 10.448 4.036 10.317 1.00 0.00 C ATOM 1232 CE LYS A 78 11.149 4.890 11.360 1.00 0.00 C ATOM 1233 NZ LYS A 78 12.567 5.163 10.994 1.00 0.00 N ATOM 0 H LYS A 78 6.989 4.067 6.823 1.00 0.00 H new ATOM 0 HA LYS A 78 8.319 6.277 8.225 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.487 3.747 8.821 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.492 3.605 7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.284 4.546 8.407 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.328 5.822 9.133 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.441 3.796 10.658 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.979 3.091 10.202 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.616 5.834 11.474 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.114 4.385 12.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.033 5.676 11.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.062 4.264 10.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.597 5.741 10.130 1.00 0.00 H new ATOM 1247 N LYS A 79 8.697 5.571 5.107 1.00 0.00 N ATOM 1248 CA LYS A 79 9.351 5.973 3.867 1.00 0.00 C ATOM 1249 C LYS A 79 8.584 7.088 3.161 1.00 0.00 C ATOM 1250 O LYS A 79 9.187 7.987 2.573 1.00 0.00 O ATOM 1251 CB LYS A 79 9.493 4.770 2.931 1.00 0.00 C ATOM 1252 CG LYS A 79 10.391 5.036 1.733 1.00 0.00 C ATOM 1253 CD LYS A 79 10.577 3.786 0.890 1.00 0.00 C ATOM 1254 CE LYS A 79 11.188 4.116 -0.463 1.00 0.00 C ATOM 1255 NZ LYS A 79 12.540 4.725 -0.330 1.00 0.00 N ATOM 0 H LYS A 79 7.868 4.991 4.979 1.00 0.00 H new ATOM 0 HA LYS A 79 10.339 6.354 4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.892 3.927 3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.505 4.477 2.576 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.959 5.828 1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.362 5.393 2.077 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.218 3.081 1.419 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.614 3.295 0.746 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.257 3.207 -1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.532 4.802 -0.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.049 4.641 -1.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.445 5.730 -0.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.072 4.231 0.415 1.00 0.00 H new ATOM 1269 N PHE A 80 7.258 7.023 3.209 1.00 0.00 N ATOM 1270 CA PHE A 80 6.423 8.031 2.558 1.00 0.00 C ATOM 1271 C PHE A 80 5.622 8.845 3.571 1.00 0.00 C ATOM 1272 O PHE A 80 5.107 9.914 3.246 1.00 0.00 O ATOM 1273 CB PHE A 80 5.468 7.366 1.566 1.00 0.00 C ATOM 1274 CG PHE A 80 6.110 6.288 0.741 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.188 4.990 1.217 1.00 0.00 C ATOM 1276 CD2 PHE A 80 6.635 6.575 -0.507 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.777 3.996 0.462 1.00 0.00 C ATOM 1278 CE2 PHE A 80 7.227 5.585 -1.267 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.299 4.294 -0.782 1.00 0.00 C ATOM 0 H PHE A 80 6.739 6.288 3.689 1.00 0.00 H new ATOM 0 HA PHE A 80 7.089 8.712 2.028 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.628 6.940 2.114 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.061 8.127 0.900 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.783 4.753 2.190 1.00 0.00 H new ATOM 0 HD2 PHE A 80 6.581 7.583 -0.891 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.830 2.987 0.843 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.633 5.820 -2.240 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.763 3.519 -1.374 1.00 0.00 H new ATOM 1289 N ALA A 81 5.511 8.336 4.795 1.00 0.00 N ATOM 1290 CA ALA A 81 4.760 9.027 5.837 1.00 0.00 C ATOM 1291 C ALA A 81 3.273 9.045 5.505 1.00 0.00 C ATOM 1292 O ALA A 81 2.570 10.011 5.799 1.00 0.00 O ATOM 1293 CB ALA A 81 5.282 10.444 6.021 1.00 0.00 C ATOM 0 H ALA A 81 5.929 7.453 5.088 1.00 0.00 H new ATOM 0 HA ALA A 81 4.896 8.485 6.773 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.710 10.944 6.802 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.333 10.410 6.307 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.177 10.995 5.086 1.00 0.00 H new ATOM 1299 N CYS A 82 2.802 7.965 4.890 1.00 0.00 N ATOM 1300 CA CYS A 82 1.397 7.847 4.512 1.00 0.00 C ATOM 1301 C CYS A 82 0.711 6.752 5.321 1.00 0.00 C ATOM 1302 O CYS A 82 1.365 5.845 5.834 1.00 0.00 O ATOM 1303 CB CYS A 82 1.271 7.549 3.017 1.00 0.00 C ATOM 1304 SG CYS A 82 1.307 9.021 1.966 1.00 0.00 S ATOM 0 H CYS A 82 3.373 7.157 4.642 1.00 0.00 H new ATOM 0 HA CYS A 82 0.906 8.796 4.726 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.082 6.884 2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.338 7.013 2.841 1.00 0.00 H new ATOM 0 HG CYS A 82 2.057 8.795 0.929 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.610 6.844 5.430 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.383 5.860 6.179 1.00 0.00 C ATOM 1312 C ASN A 83 -1.600 4.593 5.358 1.00 0.00 C ATOM 1313 O ASN A 83 -2.292 4.611 4.340 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.730 6.453 6.599 1.00 0.00 C ATOM 1315 CG ASN A 83 -2.956 6.366 8.096 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -3.902 5.729 8.557 1.00 0.00 O ATOM 1317 ND2 ASN A 83 -2.083 7.009 8.863 1.00 0.00 N ATOM 0 H ASN A 83 -1.167 7.588 5.010 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.817 5.594 7.072 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.778 7.496 6.287 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.533 5.928 6.082 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.182 6.987 9.878 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.313 7.525 8.437 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.005 3.494 5.810 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.146 2.230 5.110 1.00 0.00 C ATOM 1326 C GLY A 84 -2.000 1.240 5.877 1.00 0.00 C ATOM 1327 O GLY A 84 -1.615 0.781 6.952 1.00 0.00 O ATOM 0 H GLY A 84 -0.427 3.456 6.650 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.590 2.407 4.130 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.159 1.800 4.939 1.00 0.00 H new ATOM 1331 N THR A 85 -3.165 0.916 5.328 1.00 0.00 N ATOM 1332 CA THR A 85 -4.080 -0.022 5.975 1.00 0.00 C ATOM 1333 C THR A 85 -4.321 -1.251 5.103 1.00 0.00 C ATOM 1334 O THR A 85 -4.172 -1.199 3.884 1.00 0.00 O ATOM 1335 CB THR A 85 -5.410 0.666 6.285 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.123 0.939 5.091 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.248 1.971 7.032 1.00 0.00 C ATOM 0 H THR A 85 -3.499 1.287 4.439 1.00 0.00 H new ATOM 0 HA THR A 85 -3.619 -0.351 6.906 1.00 0.00 H new ATOM 0 HB THR A 85 -5.956 -0.032 6.920 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.518 1.340 4.433 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.229 2.407 7.220 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.745 1.787 7.981 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.653 2.661 6.434 1.00 0.00 H new ATOM 1345 N VAL A 86 -4.702 -2.355 5.740 1.00 0.00 N ATOM 1346 CA VAL A 86 -4.970 -3.600 5.028 1.00 0.00 C ATOM 1347 C VAL A 86 -6.473 -3.841 4.898 1.00 0.00 C ATOM 1348 O VAL A 86 -7.185 -3.917 5.898 1.00 0.00 O ATOM 1349 CB VAL A 86 -4.330 -4.806 5.747 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -4.935 -4.992 7.132 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -4.485 -6.069 4.915 1.00 0.00 C ATOM 0 H VAL A 86 -4.832 -2.412 6.750 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.530 -3.502 4.036 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.265 -4.606 5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.469 -5.848 7.621 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.763 -4.096 7.728 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.007 -5.166 7.040 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.027 -6.908 5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.544 -6.273 4.758 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.995 -5.932 3.951 1.00 0.00 H new ATOM 1361 N ILE A 87 -6.950 -3.960 3.662 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.370 -4.193 3.414 1.00 0.00 C ATOM 1363 C ILE A 87 -8.583 -5.382 2.484 1.00 0.00 C ATOM 1364 O ILE A 87 -7.776 -5.636 1.590 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.051 -2.954 2.796 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.423 -2.611 1.444 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -8.961 -1.767 3.742 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -9.436 -2.223 0.389 1.00 0.00 C ATOM 0 H ILE A 87 -6.377 -3.899 2.820 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.821 -4.404 4.384 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.104 -3.187 2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.717 -1.791 1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.852 -3.469 1.090 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.447 -0.903 3.289 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.458 -2.011 4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.914 -1.535 3.936 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.920 -1.993 -0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.127 -3.050 0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.991 -1.346 0.722 1.00 0.00 H new ATOM 1380 N GLU A 88 -9.682 -6.101 2.692 1.00 0.00 N ATOM 1381 CA GLU A 88 -10.006 -7.253 1.861 1.00 0.00 C ATOM 1382 C GLU A 88 -11.078 -6.884 0.842 1.00 0.00 C ATOM 1383 O GLU A 88 -12.241 -7.264 0.978 1.00 0.00 O ATOM 1384 CB GLU A 88 -10.480 -8.422 2.723 1.00 0.00 C ATOM 1385 CG GLU A 88 -10.172 -9.779 2.113 1.00 0.00 C ATOM 1386 CD GLU A 88 -10.510 -10.927 3.043 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -10.037 -10.914 4.199 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -11.247 -11.840 2.614 1.00 0.00 O ATOM 0 H GLU A 88 -10.361 -5.906 3.428 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.104 -7.558 1.330 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.009 -8.356 3.704 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.555 -8.337 2.880 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.732 -9.891 1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.114 -9.825 1.854 1.00 0.00 H new ATOM 1395 N HIS A 89 -10.674 -6.131 -0.174 1.00 0.00 N ATOM 1396 CA HIS A 89 -11.588 -5.691 -1.221 1.00 0.00 C ATOM 1397 C HIS A 89 -12.338 -6.869 -1.842 1.00 0.00 C ATOM 1398 O HIS A 89 -11.777 -7.950 -2.016 1.00 0.00 O ATOM 1399 CB HIS A 89 -10.815 -4.941 -2.303 1.00 0.00 C ATOM 1400 CG HIS A 89 -11.606 -3.848 -2.946 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.170 -3.967 -4.198 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -11.933 -2.611 -2.503 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -12.810 -2.851 -4.499 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -12.681 -2.012 -3.487 1.00 0.00 N ATOM 0 H HIS A 89 -9.713 -5.811 -0.295 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.323 -5.026 -0.767 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -9.911 -4.517 -1.866 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.497 -5.648 -3.069 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -11.657 -2.177 -1.553 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.347 -2.658 -5.416 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.073 -1.071 -3.443 1.00 0.00 H new ATOM 1413 N PRO A 90 -13.623 -6.673 -2.188 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.446 -7.719 -2.794 1.00 0.00 C ATOM 1415 C PRO A 90 -14.209 -7.849 -4.296 1.00 0.00 C ATOM 1416 O PRO A 90 -14.386 -8.921 -4.873 1.00 0.00 O ATOM 1417 CB PRO A 90 -15.866 -7.231 -2.519 1.00 0.00 C ATOM 1418 CG PRO A 90 -15.758 -5.745 -2.527 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.376 -5.414 -2.017 1.00 0.00 C ATOM 0 HA PRO A 90 -14.225 -8.707 -2.389 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -16.561 -7.583 -3.281 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.233 -7.597 -1.560 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -15.905 -5.351 -3.532 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.523 -5.297 -1.893 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -13.926 -4.599 -2.584 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.400 -5.101 -0.973 1.00 0.00 H new ATOM 1427 N GLU A 91 -13.807 -6.747 -4.922 1.00 0.00 N ATOM 1428 CA GLU A 91 -13.544 -6.733 -6.357 1.00 0.00 C ATOM 1429 C GLU A 91 -12.130 -7.217 -6.665 1.00 0.00 C ATOM 1430 O GLU A 91 -11.835 -7.623 -7.789 1.00 0.00 O ATOM 1431 CB GLU A 91 -13.745 -5.326 -6.920 1.00 0.00 C ATOM 1432 CG GLU A 91 -15.101 -4.726 -6.586 1.00 0.00 C ATOM 1433 CD GLU A 91 -15.893 -4.345 -7.823 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -15.959 -5.168 -8.760 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -16.445 -3.226 -7.853 1.00 0.00 O ATOM 0 H GLU A 91 -13.656 -5.851 -4.458 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.250 -7.414 -6.832 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -12.963 -4.673 -6.533 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.627 -5.357 -8.003 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.676 -5.442 -5.998 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.960 -3.842 -5.964 1.00 0.00 H new ATOM 1442 N TYR A 92 -11.255 -7.165 -5.664 1.00 0.00 N ATOM 1443 CA TYR A 92 -9.870 -7.593 -5.839 1.00 0.00 C ATOM 1444 C TYR A 92 -9.528 -8.748 -4.903 1.00 0.00 C ATOM 1445 O TYR A 92 -8.986 -9.766 -5.332 1.00 0.00 O ATOM 1446 CB TYR A 92 -8.922 -6.417 -5.592 1.00 0.00 C ATOM 1447 CG TYR A 92 -9.449 -5.099 -6.112 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -10.139 -5.034 -7.316 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.261 -3.922 -5.399 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -10.625 -3.834 -7.796 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -9.745 -2.717 -5.873 1.00 0.00 C ATOM 1452 CZ TYR A 92 -10.426 -2.679 -7.072 1.00 0.00 C ATOM 1453 OH TYR A 92 -10.909 -1.481 -7.547 1.00 0.00 O ATOM 0 H TYR A 92 -11.479 -6.832 -4.726 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.750 -7.942 -6.865 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.737 -6.328 -4.522 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.963 -6.628 -6.065 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.298 -5.937 -7.886 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.728 -3.949 -4.460 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.159 -3.801 -8.734 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.591 -1.810 -5.307 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.685 -0.765 -6.917 1.00 0.00 H new ATOM 1463 N GLY A 93 -9.847 -8.584 -3.624 1.00 0.00 N ATOM 1464 CA GLY A 93 -9.563 -9.623 -2.653 1.00 0.00 C ATOM 1465 C GLY A 93 -8.207 -9.454 -1.997 1.00 0.00 C ATOM 1466 O GLY A 93 -7.179 -9.786 -2.586 1.00 0.00 O ATOM 0 H GLY A 93 -10.296 -7.751 -3.243 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.337 -9.619 -1.885 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.606 -10.595 -3.144 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.207 -8.939 -0.772 1.00 0.00 N ATOM 1471 CA GLU A 94 -6.970 -8.728 -0.027 1.00 0.00 C ATOM 1472 C GLU A 94 -6.087 -7.684 -0.706 1.00 0.00 C ATOM 1473 O GLU A 94 -5.311 -8.003 -1.607 1.00 0.00 O ATOM 1474 CB GLU A 94 -6.206 -10.046 0.121 1.00 0.00 C ATOM 1475 CG GLU A 94 -5.784 -10.347 1.550 1.00 0.00 C ATOM 1476 CD GLU A 94 -5.731 -11.834 1.840 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -5.175 -12.583 1.009 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -6.247 -12.250 2.899 1.00 0.00 O ATOM 0 H GLU A 94 -9.051 -8.659 -0.273 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.235 -8.357 0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.831 -10.861 -0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.319 -10.016 -0.512 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.803 -9.909 1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.481 -9.871 2.239 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.207 -6.437 -0.261 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.418 -5.343 -0.815 1.00 0.00 C ATOM 1487 C VAL A 95 -5.051 -4.337 0.271 1.00 0.00 C ATOM 1488 O VAL A 95 -5.779 -4.173 1.249 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.177 -4.612 -1.942 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.402 -5.539 -3.125 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.498 -4.061 -1.428 1.00 0.00 C ATOM 0 H VAL A 95 -6.845 -6.159 0.484 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.510 -5.782 -1.229 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.567 -3.774 -2.279 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.939 -5.005 -3.909 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.440 -5.878 -3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -6.989 -6.400 -2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.018 -3.549 -2.238 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.116 -4.880 -1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.308 -3.358 -0.617 1.00 0.00 H new ATOM 1501 N ILE A 96 -3.921 -3.664 0.091 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.465 -2.670 1.056 1.00 0.00 C ATOM 1503 C ILE A 96 -3.883 -1.273 0.612 1.00 0.00 C ATOM 1504 O ILE A 96 -3.589 -0.852 -0.505 1.00 0.00 O ATOM 1505 CB ILE A 96 -1.931 -2.745 1.249 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.602 -3.738 2.369 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.333 -1.372 1.551 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.855 -3.200 3.761 1.00 0.00 C ATOM 0 H ILE A 96 -3.305 -3.788 -0.712 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.933 -2.886 2.016 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.485 -3.092 0.317 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.195 -4.641 2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.555 -4.028 2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.255 -1.465 1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.542 -0.694 0.723 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.775 -0.976 2.465 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.598 -3.961 4.498 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.242 -2.314 3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.908 -2.937 3.863 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.585 -0.566 1.491 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.063 0.776 1.184 1.00 0.00 C ATOM 1522 C GLN A 97 -4.178 1.849 1.808 1.00 0.00 C ATOM 1523 O GLN A 97 -4.174 2.040 3.024 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.505 0.949 1.667 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.417 1.602 0.642 1.00 0.00 C ATOM 1526 CD GLN A 97 -8.846 1.104 0.729 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -9.358 0.485 -0.204 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -9.498 1.372 1.854 1.00 0.00 N ATOM 0 H GLN A 97 -4.835 -0.900 2.422 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.024 0.896 0.101 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.910 -0.028 1.931 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.505 1.550 2.576 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.404 2.682 0.786 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.030 1.409 -0.358 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.034 1.888 2.602 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.463 1.062 1.971 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.448 2.562 0.959 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.578 3.637 1.410 1.00 0.00 C ATOM 1539 C LEU A 98 -3.323 4.964 1.341 1.00 0.00 C ATOM 1540 O LEU A 98 -4.318 5.084 0.630 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.317 3.699 0.552 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.544 2.384 0.447 1.00 0.00 C ATOM 1543 CD1 LEU A 98 0.073 2.237 -0.934 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.526 2.311 1.526 1.00 0.00 C ATOM 0 H LEU A 98 -3.443 2.413 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.284 3.443 2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.594 4.022 -0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.654 4.462 0.961 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.240 1.559 0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.619 1.295 -0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.715 2.245 -1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.758 3.065 -1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.068 1.369 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.221 3.142 1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.057 2.370 2.508 1.00 0.00 H new ATOM 1556 N GLN A 99 -2.849 5.954 2.082 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.492 7.263 2.096 1.00 0.00 C ATOM 1558 C GLN A 99 -2.835 8.213 1.099 1.00 0.00 C ATOM 1559 O GLN A 99 -1.619 8.191 0.911 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.444 7.862 3.503 1.00 0.00 C ATOM 1561 CG GLN A 99 -4.801 8.311 4.022 1.00 0.00 C ATOM 1562 CD GLN A 99 -4.846 9.794 4.337 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -4.496 10.217 5.438 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -5.279 10.591 3.367 1.00 0.00 N ATOM 0 H GLN A 99 -2.026 5.879 2.679 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.532 7.129 1.800 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.029 7.124 4.189 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.765 8.714 3.503 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.564 8.078 3.280 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -5.047 7.745 4.921 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.559 10.196 2.469 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.331 11.598 3.520 1.00 0.00 H new ATOM 1573 N GLY A 100 -3.653 9.047 0.463 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.143 9.997 -0.508 1.00 0.00 C ATOM 1575 C GLY A 100 -2.770 9.338 -1.821 1.00 0.00 C ATOM 1576 O GLY A 100 -2.730 8.111 -1.918 1.00 0.00 O ATOM 0 H GLY A 100 -4.663 9.081 0.604 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.895 10.765 -0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.268 10.500 -0.096 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.491 10.152 -2.835 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.115 9.634 -4.144 1.00 0.00 C ATOM 1582 C ASP A 101 -0.742 8.974 -4.086 1.00 0.00 C ATOM 1583 O ASP A 101 0.285 9.636 -4.246 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.116 10.756 -5.185 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.253 11.931 -4.768 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -1.761 12.814 -4.045 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -0.069 11.969 -5.165 1.00 0.00 O ATOM 0 H ASP A 101 -2.518 11.170 -2.775 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.849 8.884 -4.437 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.757 10.365 -6.137 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.138 11.098 -5.346 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.731 7.667 -3.848 1.00 0.00 N ATOM 1593 CA GLN A 102 0.513 6.913 -3.759 1.00 0.00 C ATOM 1594 C GLN A 102 0.727 6.034 -4.991 1.00 0.00 C ATOM 1595 O GLN A 102 1.660 5.236 -5.032 1.00 0.00 O ATOM 1596 CB GLN A 102 0.506 6.042 -2.499 1.00 0.00 C ATOM 1597 CG GLN A 102 1.330 6.606 -1.352 1.00 0.00 C ATOM 1598 CD GLN A 102 1.102 8.089 -1.134 1.00 0.00 C ATOM 1599 OE1 GLN A 102 2.043 8.846 -0.897 1.00 0.00 O ATOM 1600 NE2 GLN A 102 -0.153 8.510 -1.213 1.00 0.00 N ATOM 0 H GLN A 102 -1.573 7.107 -3.713 1.00 0.00 H new ATOM 0 HA GLN A 102 1.334 7.629 -3.708 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.523 5.914 -2.164 1.00 0.00 H new ATOM 0 HB3 GLN A 102 0.885 5.052 -2.752 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.085 6.068 -0.436 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.387 6.432 -1.551 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.902 7.847 -1.412 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.369 9.497 -1.075 1.00 0.00 H new ATOM 1609 N ARG A 103 -0.140 6.183 -5.992 1.00 0.00 N ATOM 1610 CA ARG A 103 -0.040 5.394 -7.220 1.00 0.00 C ATOM 1611 C ARG A 103 1.399 5.326 -7.729 1.00 0.00 C ATOM 1612 O ARG A 103 1.795 4.350 -8.366 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.945 5.986 -8.302 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.679 7.456 -8.578 1.00 0.00 C ATOM 1615 CD ARG A 103 -1.593 7.993 -9.669 1.00 0.00 C ATOM 1616 NE ARG A 103 -1.104 7.662 -11.005 1.00 0.00 N ATOM 1617 CZ ARG A 103 -0.037 8.228 -11.565 1.00 0.00 C ATOM 1618 NH1 ARG A 103 0.655 9.150 -10.909 1.00 0.00 N ATOM 1619 NH2 ARG A 103 0.340 7.869 -12.785 1.00 0.00 N ATOM 0 H ARG A 103 -0.919 6.842 -5.977 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.364 4.379 -6.989 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.812 5.421 -9.225 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.985 5.864 -8.001 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.825 8.031 -7.664 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.361 7.589 -8.875 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.594 7.583 -9.538 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.677 9.075 -9.572 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.610 6.956 -11.540 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.371 9.429 -9.970 1.00 0.00 H new ATOM 0 HH12 ARG A 103 1.472 9.580 -11.343 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -0.188 7.160 -13.294 1.00 0.00 H new ATOM 0 HH22 ARG A 103 1.157 8.302 -13.214 1.00 0.00 H new ATOM 1633 N LYS A 104 2.174 6.367 -7.446 1.00 0.00 N ATOM 1634 CA LYS A 104 3.566 6.422 -7.878 1.00 0.00 C ATOM 1635 C LYS A 104 4.516 6.082 -6.731 1.00 0.00 C ATOM 1636 O LYS A 104 5.668 5.712 -6.959 1.00 0.00 O ATOM 1637 CB LYS A 104 3.894 7.811 -8.427 1.00 0.00 C ATOM 1638 CG LYS A 104 5.161 7.850 -9.267 1.00 0.00 C ATOM 1639 CD LYS A 104 6.126 8.918 -8.778 1.00 0.00 C ATOM 1640 CE LYS A 104 5.521 10.308 -8.887 1.00 0.00 C ATOM 1641 NZ LYS A 104 6.374 11.338 -8.232 1.00 0.00 N ATOM 0 H LYS A 104 1.863 7.184 -6.920 1.00 0.00 H new ATOM 0 HA LYS A 104 3.701 5.680 -8.665 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.057 8.161 -9.031 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.999 8.506 -7.594 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.649 6.876 -9.235 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.902 8.043 -10.308 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.396 8.718 -7.741 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.046 8.874 -9.362 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.386 10.564 -9.938 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.532 10.310 -8.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.926 12.272 -8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.483 11.109 -7.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.310 11.354 -8.686 1.00 0.00 H new ATOM 1655 N ASN A 105 4.032 6.217 -5.499 1.00 0.00 N ATOM 1656 CA ASN A 105 4.848 5.933 -4.323 1.00 0.00 C ATOM 1657 C ASN A 105 4.763 4.461 -3.927 1.00 0.00 C ATOM 1658 O ASN A 105 5.757 3.866 -3.508 1.00 0.00 O ATOM 1659 CB ASN A 105 4.410 6.813 -3.152 1.00 0.00 C ATOM 1660 CG ASN A 105 5.062 8.182 -3.181 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.269 8.311 -2.980 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.262 9.211 -3.432 1.00 0.00 N ATOM 0 H ASN A 105 3.081 6.521 -5.290 1.00 0.00 H new ATOM 0 HA ASN A 105 5.885 6.156 -4.575 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.326 6.929 -3.174 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.658 6.315 -2.215 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.643 10.157 -3.464 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.267 9.056 -3.593 1.00 0.00 H new ATOM 1669 N ILE A 106 3.576 3.876 -4.050 1.00 0.00 N ATOM 1670 CA ILE A 106 3.380 2.477 -3.691 1.00 0.00 C ATOM 1671 C ILE A 106 4.148 1.549 -4.629 1.00 0.00 C ATOM 1672 O ILE A 106 4.890 0.679 -4.175 1.00 0.00 O ATOM 1673 CB ILE A 106 1.887 2.093 -3.678 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.704 0.688 -3.102 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.294 2.179 -5.075 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.411 0.472 -1.779 1.00 0.00 C ATOM 0 H ILE A 106 2.739 4.347 -4.394 1.00 0.00 H new ATOM 0 HA ILE A 106 3.772 2.355 -2.681 1.00 0.00 H new ATOM 0 HB ILE A 106 1.357 2.801 -3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.639 0.496 -2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.073 -0.041 -3.824 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.240 1.904 -5.040 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.391 3.198 -5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.826 1.497 -5.739 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.235 -0.547 -1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.482 0.631 -1.908 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.026 1.176 -1.041 1.00 0.00 H new ATOM 1688 N CYS A 107 3.992 1.747 -5.939 1.00 0.00 N ATOM 1689 CA CYS A 107 4.706 0.928 -6.917 1.00 0.00 C ATOM 1690 C CYS A 107 6.194 0.956 -6.601 1.00 0.00 C ATOM 1691 O CYS A 107 6.908 -0.034 -6.768 1.00 0.00 O ATOM 1692 CB CYS A 107 4.460 1.450 -8.334 1.00 0.00 C ATOM 1693 SG CYS A 107 4.715 3.230 -8.519 1.00 0.00 S ATOM 0 H CYS A 107 3.384 2.460 -6.343 1.00 0.00 H new ATOM 0 HA CYS A 107 4.340 -0.097 -6.862 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.122 0.925 -9.023 1.00 0.00 H new ATOM 0 HB3 CYS A 107 3.438 1.208 -8.627 1.00 0.00 H new ATOM 0 HG CYS A 107 3.578 3.847 -8.392 1.00 0.00 H new ATOM 1699 N GLN A 108 6.638 2.107 -6.111 1.00 0.00 N ATOM 1700 CA GLN A 108 8.032 2.300 -5.729 1.00 0.00 C ATOM 1701 C GLN A 108 8.370 1.421 -4.535 1.00 0.00 C ATOM 1702 O GLN A 108 9.349 0.678 -4.547 1.00 0.00 O ATOM 1703 CB GLN A 108 8.286 3.764 -5.361 1.00 0.00 C ATOM 1704 CG GLN A 108 8.704 4.630 -6.533 1.00 0.00 C ATOM 1705 CD GLN A 108 10.212 4.744 -6.668 1.00 0.00 C ATOM 1706 OE1 GLN A 108 10.919 3.654 -6.393 1.00 0.00 O flip ATOM 1707 NE2 GLN A 108 10.735 5.803 -7.015 1.00 0.00 N flip ATOM 0 H GLN A 108 6.048 2.927 -5.968 1.00 0.00 H new ATOM 0 HA GLN A 108 8.662 2.027 -6.576 1.00 0.00 H new ATOM 0 HB2 GLN A 108 7.380 4.180 -4.920 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.061 3.807 -4.596 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.291 4.214 -7.452 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.278 5.626 -6.414 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.154 6.617 -7.217 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.749 5.867 -7.101 1.00 0.00 H new ATOM 1716 N PHE A 109 7.540 1.525 -3.505 1.00 0.00 N ATOM 1717 CA PHE A 109 7.717 0.758 -2.280 1.00 0.00 C ATOM 1718 C PHE A 109 7.856 -0.730 -2.575 1.00 0.00 C ATOM 1719 O PHE A 109 8.822 -1.368 -2.159 1.00 0.00 O ATOM 1720 CB PHE A 109 6.520 0.994 -1.358 1.00 0.00 C ATOM 1721 CG PHE A 109 6.629 0.311 -0.030 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.591 0.701 0.887 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.760 -0.713 0.307 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.685 0.080 2.116 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.849 -1.336 1.535 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.814 -0.939 2.440 1.00 0.00 C ATOM 0 H PHE A 109 6.728 2.142 -3.496 1.00 0.00 H new ATOM 0 HA PHE A 109 8.633 1.091 -1.793 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.406 2.066 -1.195 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.615 0.649 -1.859 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.275 1.499 0.638 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.005 -1.027 -0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.440 0.392 2.823 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.165 -2.133 1.788 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.886 -1.426 3.401 1.00 0.00 H new ATOM 1736 N LEU A 110 6.881 -1.273 -3.294 1.00 0.00 N ATOM 1737 CA LEU A 110 6.885 -2.687 -3.647 1.00 0.00 C ATOM 1738 C LEU A 110 8.183 -3.072 -4.348 1.00 0.00 C ATOM 1739 O LEU A 110 8.631 -4.215 -4.264 1.00 0.00 O ATOM 1740 CB LEU A 110 5.690 -3.003 -4.548 1.00 0.00 C ATOM 1741 CG LEU A 110 4.394 -3.357 -3.812 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.142 -2.386 -2.668 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.218 -3.355 -4.779 1.00 0.00 C ATOM 0 H LEU A 110 6.076 -0.754 -3.645 1.00 0.00 H new ATOM 0 HA LEU A 110 6.808 -3.269 -2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.501 -2.142 -5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.957 -3.834 -5.201 1.00 0.00 H new ATOM 0 HG LEU A 110 4.500 -4.358 -3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.217 -2.656 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.971 -2.432 -1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.057 -1.373 -3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.304 -3.608 -4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.115 -2.365 -5.224 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.392 -4.090 -5.565 1.00 0.00 H new ATOM 1755 N VAL A 111 8.781 -2.107 -5.037 1.00 0.00 N ATOM 1756 CA VAL A 111 10.028 -2.341 -5.752 1.00 0.00 C ATOM 1757 C VAL A 111 11.235 -1.979 -4.890 1.00 0.00 C ATOM 1758 O VAL A 111 12.334 -2.494 -5.095 1.00 0.00 O ATOM 1759 CB VAL A 111 10.073 -1.527 -7.060 1.00 0.00 C ATOM 1760 CG1 VAL A 111 11.376 -1.773 -7.808 1.00 0.00 C ATOM 1761 CG2 VAL A 111 8.876 -1.864 -7.936 1.00 0.00 C ATOM 0 H VAL A 111 8.422 -1.156 -5.115 1.00 0.00 H new ATOM 0 HA VAL A 111 10.070 -3.404 -5.990 1.00 0.00 H new ATOM 0 HB VAL A 111 10.027 -0.468 -6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.384 -1.188 -8.727 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.217 -1.476 -7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.461 -2.832 -8.051 1.00 0.00 H new ATOM 0 HG21 VAL A 111 8.923 -1.281 -8.856 1.00 0.00 H new ATOM 0 HG22 VAL A 111 8.891 -2.927 -8.179 1.00 0.00 H new ATOM 0 HG23 VAL A 111 7.956 -1.626 -7.402 1.00 0.00 H new ATOM 1771 N GLU A 112 11.024 -1.088 -3.926 1.00 0.00 N ATOM 1772 CA GLU A 112 12.093 -0.653 -3.035 1.00 0.00 C ATOM 1773 C GLU A 112 12.349 -1.688 -1.944 1.00 0.00 C ATOM 1774 O GLU A 112 13.496 -2.030 -1.657 1.00 0.00 O ATOM 1775 CB GLU A 112 11.742 0.695 -2.403 1.00 0.00 C ATOM 1776 CG GLU A 112 11.750 1.850 -3.391 1.00 0.00 C ATOM 1777 CD GLU A 112 12.982 2.723 -3.259 1.00 0.00 C ATOM 1778 OE1 GLU A 112 14.103 2.192 -3.398 1.00 0.00 O ATOM 1779 OE2 GLU A 112 12.825 3.938 -3.014 1.00 0.00 O ATOM 0 H GLU A 112 10.120 -0.653 -3.742 1.00 0.00 H new ATOM 0 HA GLU A 112 13.002 -0.544 -3.627 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.755 0.626 -1.945 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.451 0.907 -1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.696 1.455 -4.406 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.859 2.460 -3.238 1.00 0.00 H new ATOM 1786 N ILE A 113 11.274 -2.182 -1.340 1.00 0.00 N ATOM 1787 CA ILE A 113 11.384 -3.177 -0.280 1.00 0.00 C ATOM 1788 C ILE A 113 11.513 -4.588 -0.850 1.00 0.00 C ATOM 1789 O ILE A 113 11.877 -5.523 -0.139 1.00 0.00 O ATOM 1790 CB ILE A 113 10.164 -3.123 0.668 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.925 -3.723 -0.007 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.893 -1.689 1.099 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.683 -3.694 0.858 1.00 0.00 C ATOM 0 H ILE A 113 10.317 -1.910 -1.566 1.00 0.00 H new ATOM 0 HA ILE A 113 12.286 -2.938 0.283 1.00 0.00 H new ATOM 0 HB ILE A 113 10.391 -3.717 1.554 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.726 -3.178 -0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 113 9.138 -4.755 -0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 113 9.031 -1.666 1.766 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.766 -1.294 1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.688 -1.078 0.220 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.849 -4.135 0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.862 -4.263 1.770 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.443 -2.662 1.115 1.00 0.00 H new ATOM 1805 N GLY A 114 11.196 -4.739 -2.134 1.00 0.00 N ATOM 1806 CA GLY A 114 11.268 -6.043 -2.765 1.00 0.00 C ATOM 1807 C GLY A 114 9.993 -6.833 -2.557 1.00 0.00 C ATOM 1808 O GLY A 114 10.019 -8.059 -2.450 1.00 0.00 O ATOM 0 H GLY A 114 10.891 -3.982 -2.746 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.452 -5.922 -3.833 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.112 -6.599 -2.357 1.00 0.00 H new ATOM 1812 N LEU A 115 8.874 -6.118 -2.488 1.00 0.00 N ATOM 1813 CA LEU A 115 7.573 -6.739 -2.280 1.00 0.00 C ATOM 1814 C LEU A 115 7.016 -7.300 -3.585 1.00 0.00 C ATOM 1815 O LEU A 115 7.021 -8.512 -3.800 1.00 0.00 O ATOM 1816 CB LEU A 115 6.600 -5.720 -1.681 1.00 0.00 C ATOM 1817 CG LEU A 115 5.662 -6.266 -0.607 1.00 0.00 C ATOM 1818 CD1 LEU A 115 6.445 -6.945 0.511 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.789 -5.153 -0.053 1.00 0.00 C ATOM 0 H LEU A 115 8.844 -5.102 -2.574 1.00 0.00 H new ATOM 0 HA LEU A 115 7.696 -7.569 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.177 -4.900 -1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.998 -5.300 -2.487 1.00 0.00 H new ATOM 0 HG LEU A 115 5.018 -7.016 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.752 -7.324 1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.023 -7.772 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 115 7.120 -6.224 0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.126 -5.557 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.420 -4.380 0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.194 -4.722 -0.858 1.00 0.00 H new ATOM 1831 N ALA A 116 6.543 -6.416 -4.456 1.00 0.00 N ATOM 1832 CA ALA A 116 5.995 -6.833 -5.740 1.00 0.00 C ATOM 1833 C ALA A 116 7.115 -7.021 -6.758 1.00 0.00 C ATOM 1834 O ALA A 116 8.288 -7.104 -6.391 1.00 0.00 O ATOM 1835 CB ALA A 116 4.986 -5.811 -6.244 1.00 0.00 C ATOM 0 H ALA A 116 6.528 -5.409 -4.297 1.00 0.00 H new ATOM 0 HA ALA A 116 5.484 -7.786 -5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.586 -6.137 -7.204 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.172 -5.718 -5.525 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.476 -4.845 -6.365 1.00 0.00 H new ATOM 1841 N LYS A 117 6.756 -7.074 -8.036 1.00 0.00 N ATOM 1842 CA LYS A 117 7.743 -7.237 -9.096 1.00 0.00 C ATOM 1843 C LYS A 117 7.681 -6.061 -10.062 1.00 0.00 C ATOM 1844 O LYS A 117 6.613 -5.499 -10.301 1.00 0.00 O ATOM 1845 CB LYS A 117 7.512 -8.548 -9.848 1.00 0.00 C ATOM 1846 CG LYS A 117 8.584 -9.596 -9.588 1.00 0.00 C ATOM 1847 CD LYS A 117 8.792 -9.832 -8.099 1.00 0.00 C ATOM 1848 CE LYS A 117 10.130 -9.284 -7.629 1.00 0.00 C ATOM 1849 NZ LYS A 117 10.743 -10.139 -6.575 1.00 0.00 N ATOM 0 H LYS A 117 5.792 -7.007 -8.362 1.00 0.00 H new ATOM 0 HA LYS A 117 8.733 -7.267 -8.642 1.00 0.00 H new ATOM 0 HB2 LYS A 117 6.542 -8.954 -9.563 1.00 0.00 H new ATOM 0 HB3 LYS A 117 7.470 -8.341 -10.917 1.00 0.00 H new ATOM 0 HG2 LYS A 117 8.301 -10.533 -10.069 1.00 0.00 H new ATOM 0 HG3 LYS A 117 9.523 -9.276 -10.040 1.00 0.00 H new ATOM 0 HD2 LYS A 117 7.986 -9.358 -7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 117 8.741 -10.900 -7.888 1.00 0.00 H new ATOM 0 HE2 LYS A 117 10.810 -9.211 -8.478 1.00 0.00 H new ATOM 0 HE3 LYS A 117 9.993 -8.274 -7.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 11.653 -9.730 -6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 10.106 -10.189 -5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 10.898 -11.096 -6.951 1.00 0.00 H new ATOM 1863 N ASP A 118 8.830 -5.690 -10.617 1.00 0.00 N ATOM 1864 CA ASP A 118 8.890 -4.577 -11.556 1.00 0.00 C ATOM 1865 C ASP A 118 7.968 -4.829 -12.743 1.00 0.00 C ATOM 1866 O ASP A 118 7.398 -3.898 -13.311 1.00 0.00 O ATOM 1867 CB ASP A 118 10.323 -4.351 -12.039 1.00 0.00 C ATOM 1868 CG ASP A 118 10.862 -5.528 -12.829 1.00 0.00 C ATOM 1869 OD1 ASP A 118 10.723 -6.675 -12.355 1.00 0.00 O ATOM 1870 OD2 ASP A 118 11.423 -5.302 -13.922 1.00 0.00 O ATOM 0 H ASP A 118 9.727 -6.141 -10.434 1.00 0.00 H new ATOM 0 HA ASP A 118 8.555 -3.678 -11.038 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.357 -3.455 -12.659 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.968 -4.168 -11.180 1.00 0.00 H new ATOM 1875 N ASP A 119 7.817 -6.100 -13.102 1.00 0.00 N ATOM 1876 CA ASP A 119 6.951 -6.483 -14.206 1.00 0.00 C ATOM 1877 C ASP A 119 5.495 -6.482 -13.756 1.00 0.00 C ATOM 1878 O ASP A 119 4.584 -6.273 -14.558 1.00 0.00 O ATOM 1879 CB ASP A 119 7.338 -7.866 -14.734 1.00 0.00 C ATOM 1880 CG ASP A 119 8.736 -7.893 -15.319 1.00 0.00 C ATOM 1881 OD1 ASP A 119 9.704 -7.696 -14.553 1.00 0.00 O ATOM 1882 OD2 ASP A 119 8.864 -8.109 -16.542 1.00 0.00 O ATOM 0 H ASP A 119 8.285 -6.881 -12.642 1.00 0.00 H new ATOM 0 HA ASP A 119 7.072 -5.757 -15.010 1.00 0.00 H new ATOM 0 HB2 ASP A 119 7.272 -8.592 -13.924 1.00 0.00 H new ATOM 0 HB3 ASP A 119 6.622 -8.174 -15.496 1.00 0.00 H new ATOM 1887 N GLN A 120 5.287 -6.709 -12.462 1.00 0.00 N ATOM 1888 CA GLN A 120 3.948 -6.728 -11.891 1.00 0.00 C ATOM 1889 C GLN A 120 3.449 -5.313 -11.608 1.00 0.00 C ATOM 1890 O GLN A 120 2.273 -5.109 -11.314 1.00 0.00 O ATOM 1891 CB GLN A 120 3.932 -7.539 -10.598 1.00 0.00 C ATOM 1892 CG GLN A 120 4.281 -9.006 -10.785 1.00 0.00 C ATOM 1893 CD GLN A 120 4.115 -9.800 -9.505 1.00 0.00 C ATOM 1894 OE1 GLN A 120 2.943 -9.686 -8.891 1.00 0.00 O flip ATOM 1895 NE2 GLN A 120 5.025 -10.508 -9.075 1.00 0.00 N flip ATOM 0 H GLN A 120 6.033 -6.883 -11.789 1.00 0.00 H new ATOM 0 HA GLN A 120 3.285 -7.193 -12.620 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.636 -7.095 -9.894 1.00 0.00 H new ATOM 0 HB3 GLN A 120 2.942 -7.466 -10.147 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.646 -9.433 -11.561 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.310 -9.092 -11.133 1.00 0.00 H new ATOM 0 HE21 GLN A 120 5.909 -10.565 -9.581 1.00 0.00 H new ATOM 0 HE22 GLN A 120 4.895 -11.038 -8.213 1.00 0.00 H new ATOM 1904 N LEU A 121 4.353 -4.340 -11.692 1.00 0.00 N ATOM 1905 CA LEU A 121 4.004 -2.945 -11.440 1.00 0.00 C ATOM 1906 C LEU A 121 2.801 -2.522 -12.276 1.00 0.00 C ATOM 1907 O LEU A 121 2.948 -2.064 -13.409 1.00 0.00 O ATOM 1908 CB LEU A 121 5.198 -2.036 -11.742 1.00 0.00 C ATOM 1909 CG LEU A 121 6.330 -2.095 -10.714 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.584 -1.426 -11.262 1.00 0.00 C ATOM 1911 CD2 LEU A 121 5.900 -1.442 -9.405 1.00 0.00 C ATOM 0 H LEU A 121 5.332 -4.492 -11.933 1.00 0.00 H new ATOM 0 HA LEU A 121 3.740 -2.848 -10.387 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.600 -2.302 -12.719 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.844 -1.007 -11.812 1.00 0.00 H new ATOM 0 HG LEU A 121 6.559 -3.142 -10.514 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.379 -1.477 -10.518 1.00 0.00 H new ATOM 0 HD12 LEU A 121 7.903 -1.939 -12.169 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.369 -0.382 -11.492 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.718 -1.494 -8.687 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.642 -0.399 -9.586 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.032 -1.966 -9.005 1.00 0.00 H new ATOM 1923 N LYS A 122 1.612 -2.683 -11.707 1.00 0.00 N ATOM 1924 CA LYS A 122 0.381 -2.323 -12.397 1.00 0.00 C ATOM 1925 C LYS A 122 -0.251 -1.082 -11.774 1.00 0.00 C ATOM 1926 O LYS A 122 -1.240 -1.177 -11.048 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.608 -3.490 -12.365 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.573 -4.351 -13.616 1.00 0.00 C ATOM 1929 CD LYS A 122 -1.166 -3.620 -14.813 1.00 0.00 C ATOM 1930 CE LYS A 122 -0.305 -3.791 -16.054 1.00 0.00 C ATOM 1931 NZ LYS A 122 -0.212 -2.532 -16.843 1.00 0.00 N ATOM 0 H LYS A 122 1.475 -3.061 -10.769 1.00 0.00 H new ATOM 0 HA LYS A 122 0.628 -2.097 -13.434 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.392 -4.114 -11.498 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.616 -3.097 -12.232 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.456 -4.635 -13.835 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.127 -5.273 -13.440 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -2.169 -3.997 -15.010 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.264 -2.560 -14.581 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.695 -4.110 -15.761 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.722 -4.581 -16.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 0.384 -2.691 -17.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.164 -2.240 -17.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 0.209 -1.784 -16.255 1.00 0.00 H new ATOM 1945 N VAL A 123 0.325 0.080 -12.063 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.184 1.340 -11.530 1.00 0.00 C ATOM 1947 C VAL A 123 -1.280 1.909 -12.424 1.00 0.00 C ATOM 1948 O VAL A 123 -1.044 2.204 -13.595 1.00 0.00 O ATOM 1949 CB VAL A 123 0.942 2.383 -11.379 1.00 0.00 C ATOM 1950 CG1 VAL A 123 1.564 2.706 -12.731 1.00 0.00 C ATOM 1951 CG2 VAL A 123 0.418 3.644 -10.708 1.00 0.00 C ATOM 0 H VAL A 123 1.144 0.176 -12.663 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.599 1.125 -10.545 1.00 0.00 H new ATOM 0 HB VAL A 123 1.719 1.958 -10.744 1.00 0.00 H new ATOM 0 HG11 VAL A 123 2.356 3.444 -12.600 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.982 1.798 -13.165 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.800 3.108 -13.396 1.00 0.00 H new ATOM 0 HG21 VAL A 123 1.227 4.368 -10.611 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.381 4.073 -11.313 1.00 0.00 H new ATOM 0 HG23 VAL A 123 0.032 3.396 -9.719 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.480 2.057 -11.869 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.605 2.588 -12.635 1.00 0.00 C ATOM 1963 C HIS A 124 -4.070 3.931 -12.081 1.00 0.00 C ATOM 1964 O HIS A 124 -4.555 4.782 -12.827 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.765 1.593 -12.634 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.421 0.285 -13.274 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.784 -0.042 -14.564 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.734 -0.780 -12.798 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -4.333 -1.251 -14.853 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -3.693 -1.719 -13.798 1.00 0.00 N ATOM 0 H HIS A 124 -2.698 1.820 -10.901 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.266 2.743 -13.659 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.081 1.415 -11.606 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.614 2.034 -13.157 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -5.317 0.555 -15.196 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.299 -0.873 -11.814 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -4.466 -1.767 -15.792 1.00 0.00 H new ATOM 1979 N GLY A 125 -3.923 4.115 -10.776 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.338 5.359 -10.156 1.00 0.00 C ATOM 1981 C GLY A 125 -5.828 5.599 -10.291 1.00 0.00 C ATOM 1982 O GLY A 125 -6.634 4.844 -9.749 1.00 0.00 O ATOM 0 H GLY A 125 -3.525 3.427 -10.136 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.069 5.344 -9.100 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.796 6.188 -10.611 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.196 6.649 -11.015 1.00 0.00 N ATOM 1987 CA PHE A 126 -7.601 6.984 -11.217 1.00 0.00 C ATOM 1988 C PHE A 126 -7.749 8.186 -12.146 1.00 0.00 C ATOM 1989 O PHE A 126 -6.760 8.533 -12.826 1.00 0.00 O ATOM 1990 CB PHE A 126 -8.282 7.260 -9.869 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.024 8.637 -9.319 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -6.787 9.243 -9.472 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -9.023 9.323 -8.646 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -6.551 10.509 -8.968 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -8.792 10.588 -8.139 1.00 0.00 C ATOM 1996 CZ PHE A 126 -7.556 11.181 -8.300 1.00 0.00 C ATOM 1997 OXT PHE A 126 -8.853 8.771 -12.184 1.00 0.00 O ATOM 0 H PHE A 126 -5.541 7.284 -11.472 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.090 6.131 -11.688 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -9.357 7.122 -9.983 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -7.940 6.521 -9.144 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -5.998 8.720 -9.991 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -9.992 8.864 -8.516 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -5.583 10.971 -9.096 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -9.579 11.112 -7.617 1.00 0.00 H new ATOM 0 HZ PHE A 126 -7.375 12.169 -7.904 1.00 0.00 H new