USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=20 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 104 LYS NZ :NH3+ -147:sc= 0.462 (180deg=0) USER MOD Set 1.2: A 105 ASN : amide:sc= -0.0583 K(o=0.4,f=-4!) USER MOD Set 2.1: A 82 CYS SG : rot -130:sc= 0 USER MOD Set 2.2: A 102 GLN :FLIP amide:sc= 0.0359! F(o=-3.9,f=0.036!) USER MOD Set 3.1: A 69 LYS NZ :NH3+ 146:sc= -0.0437 (180deg=-0.508) USER MOD Set 3.2: A 70 LYS NZ :NH3+ -160:sc= 0 (180deg=0) USER MOD Set 4.1: A 45 HIS :FLIP no HD1:sc= -2.52 F(o=-9.5,f=-8.8) USER MOD Set 4.2: A 61 GLN : amide:sc= -3.25 K(o=-8.8,f=-9.4!) USER MOD Set 4.3: A 124 HIS : no HD1:sc= -3.04 K(o=-8.8,f=-13!) USER MOD Set 5.1: A 50 GLN : amide:sc= -0.603 X(o=-1.3,f=-1.1) USER MOD Set 5.2: A 56 THR OG1 : rot 170:sc= -0.718 USER MOD Set 6.1: A 49 GLN :FLIP amide:sc= -2.48 X(o=-4,f=-3.6) USER MOD Set 6.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 6.3: A 97 GLN :FLIP amide:sc= -1.14 F(o=-4.5,f=-3.6) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.475 K(o=-0.47,f=-2.5!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -122:sc= -0.479 USER MOD Single : A 67 TYR OH : rot -133:sc= 1.12 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+ -138:sc= -0.175 (180deg=-1.05) USER MOD Single : A 79 LYS NZ :NH3+ -146:sc= -0.422 (180deg=-1.45!) USER MOD Single : A 83 ASN :FLIP amide:sc= -0.529 F(o=-2.2!,f=-0.53) USER MOD Single : A 85 THR OG1 : rot -48:sc= -0.0455 USER MOD Single : A 89 HIS : no HD1:sc= -2.53! C(o=-2.5!,f=-4.5!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.027 K(o=-0.027,f=-1.3!) USER MOD Single : A 107 CYS SG : rot -115:sc= -0.27 USER MOD Single : A 108 GLN :FLIP amide:sc=-0.00378 F(o=-0.92,f=-0.0038) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -4 X(o=-4,f=-3.7!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 606 N ASP A 42 1.151 -12.650 -12.823 1.00 0.00 N ATOM 607 CA ASP A 42 0.670 -12.297 -11.490 1.00 0.00 C ATOM 608 C ASP A 42 1.041 -10.861 -11.140 1.00 0.00 C ATOM 609 O ASP A 42 1.700 -10.603 -10.134 1.00 0.00 O ATOM 610 CB ASP A 42 1.243 -13.257 -10.445 1.00 0.00 C ATOM 611 CG ASP A 42 0.218 -13.658 -9.402 1.00 0.00 C ATOM 612 OD1 ASP A 42 -0.511 -14.645 -9.636 1.00 0.00 O ATOM 613 OD2 ASP A 42 0.144 -12.986 -8.352 1.00 0.00 O ATOM 0 HA ASP A 42 -0.417 -12.381 -11.490 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.618 -14.151 -10.944 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.094 -12.787 -9.952 1.00 0.00 H new ATOM 618 N TYR A 43 0.611 -9.933 -11.979 1.00 0.00 N ATOM 619 CA TYR A 43 0.899 -8.522 -11.765 1.00 0.00 C ATOM 620 C TYR A 43 0.314 -8.039 -10.443 1.00 0.00 C ATOM 621 O TYR A 43 -0.534 -8.702 -9.846 1.00 0.00 O ATOM 622 CB TYR A 43 0.341 -7.681 -12.914 1.00 0.00 C ATOM 623 CG TYR A 43 0.850 -8.087 -14.280 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.124 -8.623 -14.444 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.056 -7.927 -15.409 1.00 0.00 C ATOM 626 CE1 TYR A 43 2.588 -8.987 -15.693 1.00 0.00 C ATOM 627 CE2 TYR A 43 0.514 -8.291 -16.660 1.00 0.00 C ATOM 628 CZ TYR A 43 1.779 -8.819 -16.798 1.00 0.00 C ATOM 629 OH TYR A 43 2.239 -9.180 -18.043 1.00 0.00 O ATOM 0 H TYR A 43 0.061 -10.130 -12.815 1.00 0.00 H new ATOM 0 HA TYR A 43 1.982 -8.405 -11.730 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.747 -7.752 -12.907 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.593 -6.635 -12.740 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.760 -8.756 -13.581 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.935 -7.511 -15.307 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.579 -9.401 -15.804 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.117 -8.162 -17.527 1.00 0.00 H new ATOM 0 HH TYR A 43 1.547 -8.998 -18.713 1.00 0.00 H new ATOM 639 N ILE A 44 0.765 -6.871 -9.998 1.00 0.00 N ATOM 640 CA ILE A 44 0.282 -6.286 -8.756 1.00 0.00 C ATOM 641 C ILE A 44 -0.433 -4.970 -9.040 1.00 0.00 C ATOM 642 O ILE A 44 0.201 -3.952 -9.317 1.00 0.00 O ATOM 643 CB ILE A 44 1.432 -6.054 -7.754 1.00 0.00 C ATOM 644 CG1 ILE A 44 2.141 -7.374 -7.448 1.00 0.00 C ATOM 645 CG2 ILE A 44 0.902 -5.429 -6.472 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.221 -8.434 -6.887 1.00 0.00 C ATOM 0 H ILE A 44 1.467 -6.311 -10.482 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.418 -6.990 -8.307 1.00 0.00 H new ATOM 0 HB ILE A 44 2.150 -5.367 -8.202 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.602 -7.750 -8.361 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.946 -7.189 -6.737 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.726 -5.272 -5.776 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.433 -4.472 -6.701 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.167 -6.095 -6.020 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.789 -9.344 -6.693 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.779 -8.077 -5.957 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.430 -8.647 -7.606 1.00 0.00 H new ATOM 658 N HIS A 45 -1.759 -5.012 -8.996 1.00 0.00 N ATOM 659 CA HIS A 45 -2.585 -3.841 -9.274 1.00 0.00 C ATOM 660 C HIS A 45 -2.376 -2.721 -8.259 1.00 0.00 C ATOM 661 O HIS A 45 -2.272 -2.959 -7.056 1.00 0.00 O ATOM 662 CB HIS A 45 -4.060 -4.240 -9.301 1.00 0.00 C ATOM 663 CG HIS A 45 -4.697 -4.101 -10.646 1.00 0.00 C ATOM 664 ND1 HIS A 45 -5.694 -3.291 -11.071 1.00 0.00 N flip ATOM 665 CD2 HIS A 45 -4.325 -4.855 -11.739 1.00 0.00 C flip ATOM 666 CE1 HIS A 45 -5.903 -3.566 -12.400 1.00 0.00 C flip ATOM 667 NE2 HIS A 45 -5.064 -4.513 -12.779 1.00 0.00 N flip ATOM 0 H HIS A 45 -2.290 -5.852 -8.768 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.280 -3.458 -10.248 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.153 -5.274 -8.970 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.606 -3.626 -8.585 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.550 -5.608 -11.744 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.635 -3.086 -13.033 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -4.998 -4.912 -13.715 1.00 0.00 H new ATOM 676 N ILE A 46 -2.351 -1.495 -8.771 1.00 0.00 N ATOM 677 CA ILE A 46 -2.195 -0.298 -7.953 1.00 0.00 C ATOM 678 C ILE A 46 -3.173 0.764 -8.444 1.00 0.00 C ATOM 679 O ILE A 46 -2.965 1.372 -9.493 1.00 0.00 O ATOM 680 CB ILE A 46 -0.754 0.254 -8.009 1.00 0.00 C ATOM 681 CG1 ILE A 46 0.125 -0.475 -7.000 1.00 0.00 C ATOM 682 CG2 ILE A 46 -0.737 1.749 -7.723 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.505 -1.874 -7.422 1.00 0.00 C ATOM 0 H ILE A 46 -2.439 -1.303 -9.769 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.404 -0.561 -6.916 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.363 0.088 -9.013 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.034 0.105 -6.838 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.398 -0.523 -6.045 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.288 2.116 -7.768 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.341 2.269 -8.467 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.146 1.934 -6.730 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.130 -2.329 -6.654 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.397 -2.471 -7.556 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.056 -1.834 -8.361 1.00 0.00 H new ATOM 695 N ARG A 47 -4.252 0.962 -7.703 1.00 0.00 N ATOM 696 CA ARG A 47 -5.270 1.930 -8.098 1.00 0.00 C ATOM 697 C ARG A 47 -5.558 2.951 -7.003 1.00 0.00 C ATOM 698 O ARG A 47 -5.541 2.636 -5.813 1.00 0.00 O ATOM 699 CB ARG A 47 -6.561 1.202 -8.478 1.00 0.00 C ATOM 700 CG ARG A 47 -7.631 2.116 -9.054 1.00 0.00 C ATOM 701 CD ARG A 47 -8.993 1.442 -9.054 1.00 0.00 C ATOM 702 NE ARG A 47 -9.982 2.203 -9.814 1.00 0.00 N ATOM 703 CZ ARG A 47 -11.138 1.699 -10.240 1.00 0.00 C ATOM 704 NH1 ARG A 47 -11.452 0.433 -9.988 1.00 0.00 N ATOM 705 NH2 ARG A 47 -11.983 2.460 -10.922 1.00 0.00 N ATOM 0 H ARG A 47 -4.447 0.471 -6.831 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.881 2.475 -8.958 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.329 0.425 -9.206 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.959 0.702 -7.595 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.678 3.036 -8.471 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.362 2.397 -10.072 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.902 0.442 -9.477 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.338 1.323 -8.027 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.774 3.178 -10.031 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.806 -0.158 -9.465 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.339 0.052 -10.317 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.747 3.432 -11.121 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.869 2.073 -11.248 1.00 0.00 H new ATOM 719 N ILE A 48 -5.840 4.177 -7.433 1.00 0.00 N ATOM 720 CA ILE A 48 -6.156 5.272 -6.524 1.00 0.00 C ATOM 721 C ILE A 48 -7.672 5.445 -6.405 1.00 0.00 C ATOM 722 O ILE A 48 -8.411 5.176 -7.351 1.00 0.00 O ATOM 723 CB ILE A 48 -5.525 6.602 -7.010 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.071 6.712 -6.546 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.326 7.804 -6.524 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.385 7.973 -7.027 1.00 0.00 C ATOM 0 H ILE A 48 -5.856 4.438 -8.419 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.740 5.022 -5.548 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.545 6.599 -8.100 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.041 6.683 -5.457 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.516 5.845 -6.904 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.858 8.721 -6.881 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.344 7.742 -6.908 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.349 7.809 -5.434 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.357 7.989 -6.664 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.385 7.994 -8.117 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.918 8.845 -6.647 1.00 0.00 H new ATOM 738 N GLN A 49 -8.126 5.909 -5.244 1.00 0.00 N ATOM 739 CA GLN A 49 -9.550 6.130 -5.019 1.00 0.00 C ATOM 740 C GLN A 49 -9.785 7.414 -4.228 1.00 0.00 C ATOM 741 O GLN A 49 -9.847 7.401 -2.998 1.00 0.00 O ATOM 742 CB GLN A 49 -10.178 4.934 -4.299 1.00 0.00 C ATOM 743 CG GLN A 49 -9.689 4.747 -2.873 1.00 0.00 C ATOM 744 CD GLN A 49 -9.717 3.296 -2.432 1.00 0.00 C ATOM 745 OE1 GLN A 49 -10.210 3.053 -1.222 1.00 0.00 O flip ATOM 746 NE2 GLN A 49 -9.302 2.403 -3.170 1.00 0.00 N flip ATOM 0 H GLN A 49 -7.531 6.138 -4.448 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.030 6.237 -5.992 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.261 5.057 -4.288 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.966 4.028 -4.867 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.672 5.129 -2.789 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.309 5.339 -2.200 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.932 2.634 -4.092 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.329 1.432 -2.860 1.00 0.00 H new ATOM 755 N GLN A 50 -9.915 8.526 -4.947 1.00 0.00 N ATOM 756 CA GLN A 50 -10.145 9.822 -4.317 1.00 0.00 C ATOM 757 C GLN A 50 -11.640 10.110 -4.215 1.00 0.00 C ATOM 758 O GLN A 50 -12.254 10.604 -5.161 1.00 0.00 O ATOM 759 CB GLN A 50 -9.441 10.931 -5.108 1.00 0.00 C ATOM 760 CG GLN A 50 -8.526 11.802 -4.259 1.00 0.00 C ATOM 761 CD GLN A 50 -7.523 12.579 -5.087 1.00 0.00 C ATOM 762 OE1 GLN A 50 -7.653 12.683 -6.307 1.00 0.00 O ATOM 763 NE2 GLN A 50 -6.513 13.130 -4.424 1.00 0.00 N ATOM 0 H GLN A 50 -9.865 8.555 -5.965 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.730 9.795 -3.310 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.857 10.479 -5.909 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.194 11.562 -5.580 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.131 12.500 -3.680 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.993 11.174 -3.546 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.445 13.018 -3.412 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.805 13.665 -4.926 1.00 0.00 H new ATOM 772 N ARG A 51 -12.219 9.797 -3.060 1.00 0.00 N ATOM 773 CA ARG A 51 -13.644 10.021 -2.832 1.00 0.00 C ATOM 774 C ARG A 51 -14.008 11.479 -3.083 1.00 0.00 C ATOM 775 O ARG A 51 -15.085 11.787 -3.594 1.00 0.00 O ATOM 776 CB ARG A 51 -14.024 9.625 -1.403 1.00 0.00 C ATOM 777 CG ARG A 51 -13.526 8.245 -1.001 1.00 0.00 C ATOM 778 CD ARG A 51 -14.626 7.419 -0.353 1.00 0.00 C ATOM 779 NE ARG A 51 -15.642 7.008 -1.318 1.00 0.00 N ATOM 780 CZ ARG A 51 -16.737 6.324 -0.996 1.00 0.00 C ATOM 781 NH1 ARG A 51 -16.963 5.976 0.265 1.00 0.00 N ATOM 782 NH2 ARG A 51 -17.610 5.989 -1.936 1.00 0.00 N ATOM 0 H ARG A 51 -11.724 9.388 -2.267 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.202 9.399 -3.532 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.620 10.364 -0.711 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.109 9.654 -1.303 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.149 7.723 -1.881 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.691 8.347 -0.308 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.189 6.535 0.112 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -15.095 7.999 0.442 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.504 7.260 -2.297 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -16.296 6.233 0.992 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.804 5.452 0.506 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.442 6.256 -2.906 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -18.449 5.465 -1.689 1.00 0.00 H new ATOM 796 N ASN A 52 -13.093 12.371 -2.725 1.00 0.00 N ATOM 797 CA ASN A 52 -13.298 13.800 -2.911 1.00 0.00 C ATOM 798 C ASN A 52 -12.111 14.406 -3.659 1.00 0.00 C ATOM 799 O ASN A 52 -11.442 13.718 -4.430 1.00 0.00 O ATOM 800 CB ASN A 52 -13.486 14.485 -1.554 1.00 0.00 C ATOM 801 CG ASN A 52 -14.512 15.599 -1.606 1.00 0.00 C ATOM 802 OD1 ASN A 52 -15.352 15.645 -2.506 1.00 0.00 O ATOM 803 ND2 ASN A 52 -14.451 16.507 -0.638 1.00 0.00 N ATOM 0 H ASN A 52 -12.197 12.127 -2.302 1.00 0.00 H new ATOM 0 HA ASN A 52 -14.198 13.956 -3.505 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -13.795 13.745 -0.816 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -12.531 14.890 -1.219 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -15.116 17.280 -0.621 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -13.739 16.431 0.088 1.00 0.00 H new ATOM 810 N GLY A 53 -11.843 15.689 -3.429 1.00 0.00 N ATOM 811 CA GLY A 53 -10.727 16.338 -4.092 1.00 0.00 C ATOM 812 C GLY A 53 -9.440 16.231 -3.298 1.00 0.00 C ATOM 813 O GLY A 53 -8.633 17.160 -3.286 1.00 0.00 O ATOM 0 H GLY A 53 -12.376 16.287 -2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.582 15.890 -5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.965 17.390 -4.252 1.00 0.00 H new ATOM 817 N ARG A 54 -9.245 15.092 -2.634 1.00 0.00 N ATOM 818 CA ARG A 54 -8.043 14.865 -1.836 1.00 0.00 C ATOM 819 C ARG A 54 -8.136 13.561 -1.046 1.00 0.00 C ATOM 820 O ARG A 54 -7.116 12.949 -0.731 1.00 0.00 O ATOM 821 CB ARG A 54 -7.803 16.035 -0.878 1.00 0.00 C ATOM 822 CG ARG A 54 -9.057 16.496 -0.153 1.00 0.00 C ATOM 823 CD ARG A 54 -8.844 17.837 0.532 1.00 0.00 C ATOM 824 NE ARG A 54 -8.358 18.855 -0.396 1.00 0.00 N ATOM 825 CZ ARG A 54 -7.786 19.994 -0.014 1.00 0.00 C ATOM 826 NH1 ARG A 54 -7.627 20.266 1.275 1.00 0.00 N ATOM 827 NH2 ARG A 54 -7.372 20.865 -0.925 1.00 0.00 N ATOM 0 H ARG A 54 -9.904 14.313 -2.634 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.202 14.789 -2.526 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.054 15.743 -0.141 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.389 16.873 -1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.880 16.576 -0.863 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.345 15.750 0.587 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.782 18.170 0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -8.130 17.718 1.347 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.463 18.683 -1.396 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.944 19.600 1.980 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.188 21.141 1.561 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.492 20.661 -1.917 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.933 21.738 -0.633 1.00 0.00 H new ATOM 841 N LYS A 55 -9.359 13.140 -0.725 1.00 0.00 N ATOM 842 CA LYS A 55 -9.570 11.905 0.027 1.00 0.00 C ATOM 843 C LYS A 55 -9.176 10.689 -0.807 1.00 0.00 C ATOM 844 O LYS A 55 -10.020 9.871 -1.171 1.00 0.00 O ATOM 845 CB LYS A 55 -11.033 11.794 0.461 1.00 0.00 C ATOM 846 CG LYS A 55 -11.252 10.847 1.630 1.00 0.00 C ATOM 847 CD LYS A 55 -10.556 11.340 2.890 1.00 0.00 C ATOM 848 CE LYS A 55 -11.020 12.736 3.275 1.00 0.00 C ATOM 849 NZ LYS A 55 -10.860 12.992 4.733 1.00 0.00 N ATOM 0 H LYS A 55 -10.216 13.635 -0.973 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.938 11.933 0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.398 12.784 0.733 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.630 11.456 -0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.320 10.745 1.820 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.878 9.856 1.371 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.755 10.650 3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.477 11.345 2.733 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.451 13.476 2.712 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.067 12.860 2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.187 13.954 4.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.423 12.302 5.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.858 12.899 4.994 1.00 0.00 H new ATOM 863 N THR A 56 -7.886 10.585 -1.108 1.00 0.00 N ATOM 864 CA THR A 56 -7.363 9.482 -1.905 1.00 0.00 C ATOM 865 C THR A 56 -7.066 8.266 -1.034 1.00 0.00 C ATOM 866 O THR A 56 -6.769 8.397 0.154 1.00 0.00 O ATOM 867 CB THR A 56 -6.097 9.929 -2.639 1.00 0.00 C ATOM 868 OG1 THR A 56 -5.956 11.338 -2.586 1.00 0.00 O ATOM 869 CG2 THR A 56 -6.076 9.525 -4.096 1.00 0.00 C ATOM 0 H THR A 56 -7.179 11.257 -0.809 1.00 0.00 H new ATOM 0 HA THR A 56 -8.121 9.195 -2.634 1.00 0.00 H new ATOM 0 HB THR A 56 -5.276 9.429 -2.126 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.069 11.591 -2.916 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.151 9.873 -4.557 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.134 8.439 -4.173 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.928 9.971 -4.610 1.00 0.00 H new ATOM 877 N LEU A 57 -7.153 7.081 -1.633 1.00 0.00 N ATOM 878 CA LEU A 57 -6.899 5.840 -0.910 1.00 0.00 C ATOM 879 C LEU A 57 -6.363 4.758 -1.850 1.00 0.00 C ATOM 880 O LEU A 57 -7.068 3.807 -2.184 1.00 0.00 O ATOM 881 CB LEU A 57 -8.185 5.359 -0.235 1.00 0.00 C ATOM 882 CG LEU A 57 -8.288 5.673 1.258 1.00 0.00 C ATOM 883 CD1 LEU A 57 -9.692 5.388 1.768 1.00 0.00 C ATOM 884 CD2 LEU A 57 -7.260 4.873 2.042 1.00 0.00 C ATOM 0 H LEU A 57 -7.397 6.955 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.143 6.034 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.036 5.810 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.267 4.281 -0.371 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.081 6.733 1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.746 5.617 2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.408 6.006 1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.929 4.336 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.347 5.109 3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.436 3.808 1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.259 5.128 1.695 1.00 0.00 H new ATOM 896 N THR A 58 -5.111 4.908 -2.273 1.00 0.00 N ATOM 897 CA THR A 58 -4.485 3.942 -3.175 1.00 0.00 C ATOM 898 C THR A 58 -4.623 2.517 -2.646 1.00 0.00 C ATOM 899 O THR A 58 -4.524 2.279 -1.444 1.00 0.00 O ATOM 900 CB THR A 58 -3.008 4.286 -3.374 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.862 5.587 -3.920 1.00 0.00 O ATOM 902 CG2 THR A 58 -2.283 3.323 -4.290 1.00 0.00 C ATOM 0 H THR A 58 -4.509 5.688 -2.007 1.00 0.00 H new ATOM 0 HA THR A 58 -5.000 3.997 -4.134 1.00 0.00 H new ATOM 0 HB THR A 58 -2.564 4.221 -2.380 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.368 5.534 -4.764 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.241 3.627 -4.386 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.331 2.317 -3.872 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.755 3.330 -5.272 1.00 0.00 H new ATOM 910 N THR A 59 -4.852 1.570 -3.553 1.00 0.00 N ATOM 911 CA THR A 59 -4.999 0.169 -3.173 1.00 0.00 C ATOM 912 C THR A 59 -3.992 -0.705 -3.913 1.00 0.00 C ATOM 913 O THR A 59 -3.495 -0.335 -4.977 1.00 0.00 O ATOM 914 CB THR A 59 -6.418 -0.324 -3.465 1.00 0.00 C ATOM 915 OG1 THR A 59 -7.056 0.510 -4.415 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.298 -0.378 -2.236 1.00 0.00 C ATOM 0 H THR A 59 -4.939 1.748 -4.554 1.00 0.00 H new ATOM 0 HA THR A 59 -4.809 0.095 -2.102 1.00 0.00 H new ATOM 0 HB THR A 59 -6.296 -1.337 -3.850 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.961 0.176 -4.588 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.289 -0.736 -2.514 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.860 -1.056 -1.504 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.380 0.619 -1.803 1.00 0.00 H new ATOM 924 N VAL A 60 -3.700 -1.870 -3.343 1.00 0.00 N ATOM 925 CA VAL A 60 -2.757 -2.802 -3.950 1.00 0.00 C ATOM 926 C VAL A 60 -3.344 -4.207 -4.020 1.00 0.00 C ATOM 927 O VAL A 60 -3.705 -4.795 -3.000 1.00 0.00 O ATOM 928 CB VAL A 60 -1.428 -2.845 -3.172 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.432 -3.782 -3.845 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.851 -1.446 -3.054 1.00 0.00 C ATOM 0 H VAL A 60 -4.103 -2.191 -2.462 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.562 -2.444 -4.961 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.625 -3.230 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.498 -3.794 -3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.848 -4.789 -3.882 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.233 -3.434 -4.858 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.088 -1.485 -2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.671 -1.042 -4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.556 -0.805 -2.524 1.00 0.00 H new ATOM 940 N GLN A 61 -3.434 -4.741 -5.233 1.00 0.00 N ATOM 941 CA GLN A 61 -3.973 -6.079 -5.445 1.00 0.00 C ATOM 942 C GLN A 61 -2.925 -6.980 -6.080 1.00 0.00 C ATOM 943 O GLN A 61 -2.177 -6.554 -6.960 1.00 0.00 O ATOM 944 CB GLN A 61 -5.223 -6.037 -6.335 1.00 0.00 C ATOM 945 CG GLN A 61 -5.777 -4.639 -6.557 1.00 0.00 C ATOM 946 CD GLN A 61 -6.729 -4.557 -7.739 1.00 0.00 C ATOM 947 OE1 GLN A 61 -6.836 -3.517 -8.389 1.00 0.00 O ATOM 948 NE2 GLN A 61 -7.428 -5.651 -8.025 1.00 0.00 N ATOM 0 H GLN A 61 -3.140 -4.266 -6.086 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.252 -6.482 -4.472 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -4.983 -6.479 -7.302 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.998 -6.657 -5.884 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.297 -4.313 -5.656 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.950 -3.947 -6.716 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.310 -6.493 -7.462 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.082 -5.648 -8.808 1.00 0.00 H new ATOM 957 N GLY A 62 -2.873 -8.224 -5.628 1.00 0.00 N ATOM 958 CA GLY A 62 -1.909 -9.161 -6.165 1.00 0.00 C ATOM 959 C GLY A 62 -0.896 -9.595 -5.127 1.00 0.00 C ATOM 960 O GLY A 62 -0.381 -10.712 -5.177 1.00 0.00 O ATOM 0 H GLY A 62 -3.480 -8.601 -4.900 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.431 -10.037 -6.549 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.390 -8.704 -7.008 1.00 0.00 H new ATOM 964 N ILE A 63 -0.611 -8.703 -4.185 1.00 0.00 N ATOM 965 CA ILE A 63 0.346 -8.981 -3.123 1.00 0.00 C ATOM 966 C ILE A 63 -0.044 -10.237 -2.347 1.00 0.00 C ATOM 967 O ILE A 63 -1.225 -10.526 -2.161 1.00 0.00 O ATOM 968 CB ILE A 63 0.465 -7.775 -2.162 1.00 0.00 C ATOM 969 CG1 ILE A 63 1.064 -6.567 -2.895 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.301 -8.125 -0.939 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.215 -6.914 -3.815 1.00 0.00 C ATOM 0 H ILE A 63 -1.033 -7.776 -4.136 1.00 0.00 H new ATOM 0 HA ILE A 63 1.317 -9.153 -3.588 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.537 -7.517 -1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.280 -6.083 -3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.408 -5.841 -2.158 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.366 -7.257 -0.283 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.834 -8.951 -0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.302 -8.418 -1.254 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.583 -6.007 -4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.019 -7.370 -3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.873 -7.615 -4.577 1.00 0.00 H new ATOM 983 N ALA A 64 0.964 -10.985 -1.908 1.00 0.00 N ATOM 984 CA ALA A 64 0.740 -12.216 -1.165 1.00 0.00 C ATOM 985 C ALA A 64 0.484 -11.938 0.311 1.00 0.00 C ATOM 986 O ALA A 64 1.210 -11.173 0.946 1.00 0.00 O ATOM 987 CB ALA A 64 1.931 -13.148 -1.324 1.00 0.00 C ATOM 0 H ALA A 64 1.947 -10.757 -2.056 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.149 -12.696 -1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.752 -14.066 -0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.067 -13.387 -2.379 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.828 -12.660 -0.944 1.00 0.00 H new ATOM 993 N ASP A 65 -0.547 -12.576 0.854 1.00 0.00 N ATOM 994 CA ASP A 65 -0.891 -12.410 2.260 1.00 0.00 C ATOM 995 C ASP A 65 0.250 -12.891 3.155 1.00 0.00 C ATOM 996 O ASP A 65 0.321 -12.534 4.331 1.00 0.00 O ATOM 997 CB ASP A 65 -2.172 -13.179 2.588 1.00 0.00 C ATOM 998 CG ASP A 65 -3.412 -12.311 2.482 1.00 0.00 C ATOM 999 OD1 ASP A 65 -3.514 -11.327 3.245 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -4.278 -12.615 1.636 1.00 0.00 O ATOM 0 H ASP A 65 -1.158 -13.212 0.342 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.057 -11.349 2.448 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.267 -14.027 1.910 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.101 -13.584 3.597 1.00 0.00 H new ATOM 1005 N ASP A 66 1.144 -13.699 2.587 1.00 0.00 N ATOM 1006 CA ASP A 66 2.283 -14.223 3.331 1.00 0.00 C ATOM 1007 C ASP A 66 3.245 -13.101 3.705 1.00 0.00 C ATOM 1008 O ASP A 66 3.984 -13.204 4.685 1.00 0.00 O ATOM 1009 CB ASP A 66 3.012 -15.284 2.507 1.00 0.00 C ATOM 1010 CG ASP A 66 3.930 -16.145 3.354 1.00 0.00 C ATOM 1011 OD1 ASP A 66 5.007 -15.653 3.750 1.00 0.00 O ATOM 1012 OD2 ASP A 66 3.569 -17.310 3.624 1.00 0.00 O ATOM 0 H ASP A 66 1.100 -14.004 1.615 1.00 0.00 H new ATOM 0 HA ASP A 66 1.911 -14.680 4.248 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.280 -15.920 2.009 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.595 -14.796 1.726 1.00 0.00 H new ATOM 1017 N TYR A 67 3.230 -12.025 2.920 1.00 0.00 N ATOM 1018 CA TYR A 67 4.099 -10.881 3.168 1.00 0.00 C ATOM 1019 C TYR A 67 4.014 -10.440 4.626 1.00 0.00 C ATOM 1020 O TYR A 67 3.122 -10.864 5.361 1.00 0.00 O ATOM 1021 CB TYR A 67 3.705 -9.711 2.262 1.00 0.00 C ATOM 1022 CG TYR A 67 4.047 -9.901 0.798 1.00 0.00 C ATOM 1023 CD1 TYR A 67 4.375 -11.152 0.281 1.00 0.00 C ATOM 1024 CD2 TYR A 67 4.036 -8.819 -0.070 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.681 -11.311 -1.057 1.00 0.00 C ATOM 1026 CE2 TYR A 67 4.340 -8.970 -1.408 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.662 -10.218 -1.897 1.00 0.00 C ATOM 1028 OH TYR A 67 4.966 -10.373 -3.231 1.00 0.00 O ATOM 0 H TYR A 67 2.624 -11.924 2.106 1.00 0.00 H new ATOM 0 HA TYR A 67 5.123 -11.183 2.950 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.631 -9.545 2.352 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.198 -8.808 2.622 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.390 -12.011 0.936 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.785 -7.839 0.308 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.934 -12.287 -1.443 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.326 -8.115 -2.068 1.00 0.00 H new ATOM 0 HH TYR A 67 5.597 -9.675 -3.506 1.00 0.00 H new ATOM 1038 N ASP A 68 4.939 -9.581 5.034 1.00 0.00 N ATOM 1039 CA ASP A 68 4.957 -9.077 6.400 1.00 0.00 C ATOM 1040 C ASP A 68 4.003 -7.896 6.540 1.00 0.00 C ATOM 1041 O ASP A 68 4.423 -6.742 6.480 1.00 0.00 O ATOM 1042 CB ASP A 68 6.374 -8.658 6.795 1.00 0.00 C ATOM 1043 CG ASP A 68 7.104 -9.742 7.565 1.00 0.00 C ATOM 1044 OD1 ASP A 68 7.322 -10.832 6.995 1.00 0.00 O ATOM 1045 OD2 ASP A 68 7.457 -9.501 8.739 1.00 0.00 O ATOM 0 H ASP A 68 5.685 -9.220 4.440 1.00 0.00 H new ATOM 0 HA ASP A 68 4.630 -9.874 7.067 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.940 -8.410 5.897 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.327 -7.754 7.402 1.00 0.00 H new ATOM 1050 N LYS A 69 2.716 -8.199 6.716 1.00 0.00 N ATOM 1051 CA LYS A 69 1.681 -7.172 6.857 1.00 0.00 C ATOM 1052 C LYS A 69 2.189 -5.970 7.649 1.00 0.00 C ATOM 1053 O LYS A 69 1.939 -4.822 7.282 1.00 0.00 O ATOM 1054 CB LYS A 69 0.443 -7.759 7.540 1.00 0.00 C ATOM 1055 CG LYS A 69 -0.668 -8.132 6.571 1.00 0.00 C ATOM 1056 CD LYS A 69 -2.016 -7.595 7.030 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.397 -8.135 8.400 1.00 0.00 C ATOM 1058 NZ LYS A 69 -2.380 -7.071 9.442 1.00 0.00 N ATOM 0 H LYS A 69 2.363 -9.155 6.765 1.00 0.00 H new ATOM 0 HA LYS A 69 1.415 -6.830 5.857 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.735 -8.645 8.103 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.058 -7.036 8.260 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.436 -7.737 5.582 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.721 -9.217 6.477 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.982 -6.506 7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.783 -7.867 6.305 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.391 -8.579 8.351 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.706 -8.930 8.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.126 -7.258 10.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.455 -7.064 9.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.547 -6.146 8.997 1.00 0.00 H new ATOM 1072 N LYS A 70 2.909 -6.244 8.730 1.00 0.00 N ATOM 1073 CA LYS A 70 3.459 -5.186 9.565 1.00 0.00 C ATOM 1074 C LYS A 70 4.459 -4.348 8.778 1.00 0.00 C ATOM 1075 O LYS A 70 4.206 -3.183 8.474 1.00 0.00 O ATOM 1076 CB LYS A 70 4.134 -5.781 10.802 1.00 0.00 C ATOM 1077 CG LYS A 70 3.182 -6.004 11.965 1.00 0.00 C ATOM 1078 CD LYS A 70 2.510 -7.365 11.882 1.00 0.00 C ATOM 1079 CE LYS A 70 1.276 -7.433 12.767 1.00 0.00 C ATOM 1080 NZ LYS A 70 0.066 -6.910 12.074 1.00 0.00 N ATOM 0 H LYS A 70 3.125 -7.189 9.048 1.00 0.00 H new ATOM 0 HA LYS A 70 2.640 -4.542 9.885 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.595 -6.731 10.533 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.937 -5.117 11.122 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.729 -5.924 12.905 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.423 -5.222 11.970 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.230 -7.571 10.849 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.216 -8.139 12.181 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.103 -8.466 13.070 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.450 -6.859 13.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.655 -6.655 12.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.321 -6.068 11.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.314 -7.641 11.439 1.00 0.00 H new ATOM 1094 N LYS A 71 5.595 -4.950 8.446 1.00 0.00 N ATOM 1095 CA LYS A 71 6.637 -4.261 7.691 1.00 0.00 C ATOM 1096 C LYS A 71 6.116 -3.770 6.340 1.00 0.00 C ATOM 1097 O LYS A 71 6.718 -2.897 5.716 1.00 0.00 O ATOM 1098 CB LYS A 71 7.836 -5.190 7.480 1.00 0.00 C ATOM 1099 CG LYS A 71 9.010 -4.883 8.396 1.00 0.00 C ATOM 1100 CD LYS A 71 8.737 -5.331 9.822 1.00 0.00 C ATOM 1101 CE LYS A 71 9.839 -4.882 10.768 1.00 0.00 C ATOM 1102 NZ LYS A 71 9.976 -5.794 11.936 1.00 0.00 N ATOM 0 H LYS A 71 5.819 -5.915 8.688 1.00 0.00 H new ATOM 0 HA LYS A 71 6.949 -3.391 8.270 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.520 -6.221 7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.165 -5.116 6.444 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.904 -5.381 8.022 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.213 -3.812 8.383 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.782 -4.925 10.155 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.650 -6.417 9.853 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.785 -4.839 10.228 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.626 -3.872 11.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.738 -5.452 12.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.082 -5.816 12.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.204 -6.752 11.603 1.00 0.00 H new ATOM 1116 N LEU A 72 5.003 -4.341 5.888 1.00 0.00 N ATOM 1117 CA LEU A 72 4.415 -3.964 4.608 1.00 0.00 C ATOM 1118 C LEU A 72 3.915 -2.519 4.627 1.00 0.00 C ATOM 1119 O LEU A 72 4.469 -1.654 3.949 1.00 0.00 O ATOM 1120 CB LEU A 72 3.270 -4.914 4.252 1.00 0.00 C ATOM 1121 CG LEU A 72 2.971 -5.036 2.757 1.00 0.00 C ATOM 1122 CD1 LEU A 72 1.819 -6.000 2.520 1.00 0.00 C ATOM 1123 CD2 LEU A 72 2.658 -3.667 2.170 1.00 0.00 C ATOM 0 H LEU A 72 4.491 -5.066 6.390 1.00 0.00 H new ATOM 0 HA LEU A 72 5.192 -4.040 3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.505 -5.904 4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.367 -4.577 4.761 1.00 0.00 H new ATOM 0 HG LEU A 72 3.854 -5.433 2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.621 -6.074 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.082 -6.984 2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.928 -5.634 3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.447 -3.767 1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.789 -3.245 2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.514 -3.007 2.310 1.00 0.00 H new ATOM 1135 N VAL A 73 2.862 -2.264 5.399 1.00 0.00 N ATOM 1136 CA VAL A 73 2.291 -0.919 5.489 1.00 0.00 C ATOM 1137 C VAL A 73 3.032 -0.060 6.507 1.00 0.00 C ATOM 1138 O VAL A 73 3.269 1.126 6.272 1.00 0.00 O ATOM 1139 CB VAL A 73 0.792 -0.943 5.858 1.00 0.00 C ATOM 1140 CG1 VAL A 73 -0.063 -1.100 4.611 1.00 0.00 C ATOM 1141 CG2 VAL A 73 0.491 -2.046 6.863 1.00 0.00 C ATOM 0 H VAL A 73 2.388 -2.965 5.969 1.00 0.00 H new ATOM 0 HA VAL A 73 2.402 -0.484 4.496 1.00 0.00 H new ATOM 0 HB VAL A 73 0.545 0.010 6.326 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.116 -1.115 4.891 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.121 -0.264 3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.192 -2.034 4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.572 -2.039 7.104 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.759 -3.012 6.435 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.070 -1.879 7.771 1.00 0.00 H new ATOM 1151 N LYS A 74 3.395 -0.656 7.640 1.00 0.00 N ATOM 1152 CA LYS A 74 4.108 0.070 8.687 1.00 0.00 C ATOM 1153 C LYS A 74 5.313 0.808 8.115 1.00 0.00 C ATOM 1154 O LYS A 74 5.581 1.955 8.474 1.00 0.00 O ATOM 1155 CB LYS A 74 4.563 -0.888 9.789 1.00 0.00 C ATOM 1156 CG LYS A 74 4.890 -0.196 11.101 1.00 0.00 C ATOM 1157 CD LYS A 74 3.630 0.145 11.884 1.00 0.00 C ATOM 1158 CE LYS A 74 3.670 -0.434 13.289 1.00 0.00 C ATOM 1159 NZ LYS A 74 3.073 -1.798 13.344 1.00 0.00 N ATOM 0 H LYS A 74 3.208 -1.635 7.856 1.00 0.00 H new ATOM 0 HA LYS A 74 3.422 0.802 9.113 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.780 -1.626 9.963 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.443 -1.432 9.446 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.530 -0.841 11.703 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.453 0.716 10.902 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.517 1.228 11.939 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.758 -0.240 11.356 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.703 -0.475 13.636 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.132 0.226 13.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.119 -2.158 14.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.080 -1.755 13.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.602 -2.434 12.714 1.00 0.00 H new ATOM 1173 N ALA A 75 6.034 0.143 7.218 1.00 0.00 N ATOM 1174 CA ALA A 75 7.206 0.741 6.593 1.00 0.00 C ATOM 1175 C ALA A 75 6.805 1.923 5.719 1.00 0.00 C ATOM 1176 O ALA A 75 7.547 2.898 5.595 1.00 0.00 O ATOM 1177 CB ALA A 75 7.957 -0.295 5.772 1.00 0.00 C ATOM 0 H ALA A 75 5.827 -0.807 6.909 1.00 0.00 H new ATOM 0 HA ALA A 75 7.866 1.105 7.380 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.830 0.168 5.312 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.278 -1.110 6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.302 -0.687 4.994 1.00 0.00 H new ATOM 1183 N PHE A 76 5.621 1.832 5.121 1.00 0.00 N ATOM 1184 CA PHE A 76 5.113 2.894 4.264 1.00 0.00 C ATOM 1185 C PHE A 76 4.987 4.198 5.044 1.00 0.00 C ATOM 1186 O PHE A 76 5.428 5.254 4.587 1.00 0.00 O ATOM 1187 CB PHE A 76 3.752 2.502 3.684 1.00 0.00 C ATOM 1188 CG PHE A 76 3.423 3.209 2.403 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.894 2.731 1.193 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.646 4.356 2.411 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.596 3.383 0.011 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.345 5.013 1.233 1.00 0.00 C ATOM 1193 CZ PHE A 76 2.821 4.525 0.031 1.00 0.00 C ATOM 0 H PHE A 76 4.996 1.032 5.215 1.00 0.00 H new ATOM 0 HA PHE A 76 5.819 3.042 3.447 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.736 1.426 3.511 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.977 2.718 4.419 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.501 1.838 1.172 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.271 4.741 3.348 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.969 2.999 -0.927 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.739 5.907 1.252 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.587 5.036 -0.891 1.00 0.00 H new ATOM 1203 N LYS A 77 4.388 4.112 6.227 1.00 0.00 N ATOM 1204 CA LYS A 77 4.205 5.277 7.083 1.00 0.00 C ATOM 1205 C LYS A 77 5.546 5.837 7.555 1.00 0.00 C ATOM 1206 O LYS A 77 5.614 6.949 8.076 1.00 0.00 O ATOM 1207 CB LYS A 77 3.343 4.907 8.291 1.00 0.00 C ATOM 1208 CG LYS A 77 2.024 4.248 7.919 1.00 0.00 C ATOM 1209 CD LYS A 77 1.825 2.927 8.649 1.00 0.00 C ATOM 1210 CE LYS A 77 0.707 3.019 9.674 1.00 0.00 C ATOM 1211 NZ LYS A 77 1.044 2.293 10.929 1.00 0.00 N ATOM 0 H LYS A 77 4.020 3.244 6.615 1.00 0.00 H new ATOM 0 HA LYS A 77 3.703 6.048 6.499 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.907 4.233 8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.139 5.807 8.871 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.201 4.922 8.157 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.994 4.076 6.843 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.595 2.143 7.928 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.752 2.641 9.145 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.509 4.066 9.902 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.209 2.606 9.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.256 2.380 11.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.208 1.288 10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.903 2.703 11.347 1.00 0.00 H new ATOM 1225 N LYS A 78 6.613 5.061 7.378 1.00 0.00 N ATOM 1226 CA LYS A 78 7.944 5.487 7.792 1.00 0.00 C ATOM 1227 C LYS A 78 8.759 5.993 6.604 1.00 0.00 C ATOM 1228 O LYS A 78 9.743 6.712 6.778 1.00 0.00 O ATOM 1229 CB LYS A 78 8.680 4.330 8.469 1.00 0.00 C ATOM 1230 CG LYS A 78 8.062 3.904 9.790 1.00 0.00 C ATOM 1231 CD LYS A 78 9.097 3.292 10.718 1.00 0.00 C ATOM 1232 CE LYS A 78 9.794 4.354 11.553 1.00 0.00 C ATOM 1233 NZ LYS A 78 10.998 4.898 10.867 1.00 0.00 N ATOM 0 H LYS A 78 6.580 4.135 6.951 1.00 0.00 H new ATOM 0 HA LYS A 78 7.828 6.307 8.500 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.696 3.475 7.793 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.717 4.620 8.640 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.604 4.767 10.273 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.266 3.182 9.605 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.615 2.569 11.376 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.836 2.746 10.131 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.098 5.166 11.762 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.085 3.928 12.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.771 5.003 11.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.292 4.246 10.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.773 5.826 10.455 1.00 0.00 H new ATOM 1247 N LYS A 79 8.353 5.606 5.398 1.00 0.00 N ATOM 1248 CA LYS A 79 9.058 6.017 4.188 1.00 0.00 C ATOM 1249 C LYS A 79 8.401 7.233 3.540 1.00 0.00 C ATOM 1250 O LYS A 79 9.082 8.074 2.954 1.00 0.00 O ATOM 1251 CB LYS A 79 9.110 4.860 3.187 1.00 0.00 C ATOM 1252 CG LYS A 79 10.409 4.794 2.401 1.00 0.00 C ATOM 1253 CD LYS A 79 10.201 4.181 1.025 1.00 0.00 C ATOM 1254 CE LYS A 79 11.116 4.813 -0.011 1.00 0.00 C ATOM 1255 NZ LYS A 79 11.018 6.299 -0.007 1.00 0.00 N ATOM 0 H LYS A 79 7.542 5.010 5.233 1.00 0.00 H new ATOM 0 HA LYS A 79 10.072 6.295 4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.971 3.921 3.722 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.278 4.956 2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.822 5.797 2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.141 4.206 2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.389 3.108 1.071 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.162 4.310 0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.146 4.517 0.186 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.859 4.435 -1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.141 6.658 -0.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.084 6.584 0.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.760 6.694 0.606 1.00 0.00 H new ATOM 1269 N PHE A 80 7.077 7.315 3.632 1.00 0.00 N ATOM 1270 CA PHE A 80 6.343 8.430 3.035 1.00 0.00 C ATOM 1271 C PHE A 80 5.566 9.228 4.079 1.00 0.00 C ATOM 1272 O PHE A 80 5.158 10.361 3.822 1.00 0.00 O ATOM 1273 CB PHE A 80 5.383 7.913 1.962 1.00 0.00 C ATOM 1274 CG PHE A 80 5.976 6.843 1.092 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.665 7.174 -0.062 1.00 0.00 C ATOM 1276 CD2 PHE A 80 5.844 5.506 1.430 1.00 0.00 C ATOM 1277 CE1 PHE A 80 7.213 6.191 -0.864 1.00 0.00 C ATOM 1278 CE2 PHE A 80 6.389 4.518 0.633 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.074 4.861 -0.516 1.00 0.00 C ATOM 0 H PHE A 80 6.493 6.629 4.110 1.00 0.00 H new ATOM 0 HA PHE A 80 7.077 9.098 2.583 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.487 7.522 2.445 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.069 8.747 1.335 1.00 0.00 H new ATOM 0 HD1 PHE A 80 6.776 8.212 -0.339 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.309 5.233 2.327 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.749 6.462 -1.762 1.00 0.00 H new ATOM 0 HE2 PHE A 80 6.280 3.479 0.908 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.500 4.091 -1.142 1.00 0.00 H new ATOM 1289 N ALA A 81 5.354 8.639 5.255 1.00 0.00 N ATOM 1290 CA ALA A 81 4.616 9.309 6.322 1.00 0.00 C ATOM 1291 C ALA A 81 3.124 9.336 6.013 1.00 0.00 C ATOM 1292 O ALA A 81 2.417 10.273 6.385 1.00 0.00 O ATOM 1293 CB ALA A 81 5.142 10.722 6.535 1.00 0.00 C ATOM 0 H ALA A 81 5.682 7.703 5.492 1.00 0.00 H new ATOM 0 HA ALA A 81 4.765 8.744 7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.578 11.203 7.334 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.196 10.680 6.809 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.028 11.295 5.615 1.00 0.00 H new ATOM 1299 N CYS A 82 2.653 8.298 5.330 1.00 0.00 N ATOM 1300 CA CYS A 82 1.244 8.194 4.967 1.00 0.00 C ATOM 1301 C CYS A 82 0.558 7.109 5.790 1.00 0.00 C ATOM 1302 O CYS A 82 1.165 6.524 6.685 1.00 0.00 O ATOM 1303 CB CYS A 82 1.105 7.889 3.474 1.00 0.00 C ATOM 1304 SG CYS A 82 1.296 9.334 2.404 1.00 0.00 S ATOM 0 H CYS A 82 3.227 7.516 5.016 1.00 0.00 H new ATOM 0 HA CYS A 82 0.761 9.148 5.180 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.850 7.143 3.196 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.126 7.444 3.295 1.00 0.00 H new ATOM 0 HG CYS A 82 0.308 9.383 1.560 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.707 6.843 5.483 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.468 5.827 6.198 1.00 0.00 C ATOM 1312 C ASN A 83 -1.678 4.595 5.317 1.00 0.00 C ATOM 1313 O ASN A 83 -2.219 4.691 4.216 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.814 6.409 6.659 1.00 0.00 C ATOM 1315 CG ASN A 83 -3.940 5.390 6.663 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -4.467 5.093 5.482 1.00 0.00 O flip ATOM 1317 ND2 ASN A 83 -4.328 4.878 7.713 1.00 0.00 N flip ATOM 0 H ASN A 83 -1.226 7.317 4.744 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.905 5.517 7.078 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.700 6.818 7.663 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.086 7.238 6.006 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.893 5.137 8.598 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.085 4.194 7.698 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.245 3.440 5.813 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.393 2.207 5.061 1.00 0.00 C ATOM 1326 C GLY A 84 -2.202 1.166 5.811 1.00 0.00 C ATOM 1327 O GLY A 84 -1.819 0.739 6.899 1.00 0.00 O ATOM 0 H GLY A 84 -0.794 3.336 6.722 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.877 2.422 4.108 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.407 1.802 4.834 1.00 0.00 H new ATOM 1331 N THR A 85 -3.325 0.760 5.228 1.00 0.00 N ATOM 1332 CA THR A 85 -4.192 -0.236 5.850 1.00 0.00 C ATOM 1333 C THR A 85 -4.298 -1.490 4.985 1.00 0.00 C ATOM 1334 O THR A 85 -3.983 -1.464 3.797 1.00 0.00 O ATOM 1335 CB THR A 85 -5.585 0.350 6.089 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.213 0.670 4.859 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.568 1.605 6.935 1.00 0.00 C ATOM 0 H THR A 85 -3.656 1.104 4.327 1.00 0.00 H new ATOM 0 HA THR A 85 -3.751 -0.515 6.807 1.00 0.00 H new ATOM 0 HB THR A 85 -6.136 -0.423 6.624 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.588 1.170 4.293 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.587 1.969 7.066 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.134 1.381 7.910 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.971 2.370 6.439 1.00 0.00 H new ATOM 1345 N VAL A 86 -4.745 -2.585 5.591 1.00 0.00 N ATOM 1346 CA VAL A 86 -4.894 -3.851 4.881 1.00 0.00 C ATOM 1347 C VAL A 86 -6.368 -4.244 4.770 1.00 0.00 C ATOM 1348 O VAL A 86 -6.816 -5.201 5.403 1.00 0.00 O ATOM 1349 CB VAL A 86 -4.117 -4.980 5.589 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -4.623 -5.175 7.011 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -4.212 -6.276 4.795 1.00 0.00 C ATOM 0 H VAL A 86 -5.011 -2.621 6.575 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.484 -3.712 3.881 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.067 -4.691 5.643 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.061 -5.976 7.491 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.491 -4.251 7.574 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.681 -5.438 6.988 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.658 -7.060 5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.257 -6.571 4.703 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.789 -6.126 3.802 1.00 0.00 H new ATOM 1361 N ILE A 87 -7.118 -3.495 3.967 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.541 -3.763 3.782 1.00 0.00 C ATOM 1363 C ILE A 87 -8.771 -4.964 2.869 1.00 0.00 C ATOM 1364 O ILE A 87 -7.942 -5.279 2.016 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.275 -2.540 3.192 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.791 -2.254 1.765 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -9.074 -1.320 4.077 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -9.853 -2.484 0.711 1.00 0.00 C ATOM 0 H ILE A 87 -6.765 -2.699 3.435 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.945 -3.982 4.771 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.340 -2.767 3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.449 -1.221 1.706 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.931 -2.887 1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.598 -0.467 3.646 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.469 -1.523 5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.010 -1.094 4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.442 -2.263 -0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.178 -3.524 0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.704 -1.831 0.904 1.00 0.00 H new ATOM 1380 N GLU A 88 -9.910 -5.624 3.046 1.00 0.00 N ATOM 1381 CA GLU A 88 -10.259 -6.780 2.234 1.00 0.00 C ATOM 1382 C GLU A 88 -11.360 -6.418 1.245 1.00 0.00 C ATOM 1383 O GLU A 88 -12.506 -6.847 1.386 1.00 0.00 O ATOM 1384 CB GLU A 88 -10.710 -7.939 3.122 1.00 0.00 C ATOM 1385 CG GLU A 88 -10.754 -9.271 2.397 1.00 0.00 C ATOM 1386 CD GLU A 88 -10.783 -10.453 3.346 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -9.723 -10.780 3.920 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -11.866 -11.051 3.517 1.00 0.00 O ATOM 0 H GLU A 88 -10.608 -5.376 3.747 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.375 -7.091 1.677 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.034 -8.019 3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.700 -7.718 3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.636 -9.303 1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.884 -9.354 1.746 1.00 0.00 H new ATOM 1395 N HIS A 89 -11.003 -5.619 0.246 1.00 0.00 N ATOM 1396 CA HIS A 89 -11.953 -5.184 -0.771 1.00 0.00 C ATOM 1397 C HIS A 89 -12.677 -6.376 -1.398 1.00 0.00 C ATOM 1398 O HIS A 89 -12.044 -7.349 -1.805 1.00 0.00 O ATOM 1399 CB HIS A 89 -11.229 -4.385 -1.857 1.00 0.00 C ATOM 1400 CG HIS A 89 -12.060 -3.293 -2.454 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.611 -3.373 -3.715 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -12.437 -2.091 -1.956 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -13.291 -2.271 -3.968 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -13.202 -1.476 -2.917 1.00 0.00 N ATOM 0 H HIS A 89 -10.058 -5.258 0.118 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.697 -4.549 -0.289 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.324 -3.950 -1.433 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.916 -5.066 -2.649 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.184 -1.691 -0.985 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.829 -2.056 -4.879 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.632 -0.555 -2.833 1.00 0.00 H new ATOM 1413 N PRO A 90 -14.019 -6.317 -1.486 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.817 -7.400 -2.070 1.00 0.00 C ATOM 1415 C PRO A 90 -14.718 -7.438 -3.592 1.00 0.00 C ATOM 1416 O PRO A 90 -15.080 -8.433 -4.222 1.00 0.00 O ATOM 1417 CB PRO A 90 -16.241 -7.056 -1.635 1.00 0.00 C ATOM 1418 CG PRO A 90 -16.242 -5.573 -1.499 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.863 -5.195 -1.028 1.00 0.00 C ATOM 0 HA PRO A 90 -14.479 -8.383 -1.741 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -16.972 -7.387 -2.372 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.496 -7.541 -0.693 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.473 -5.095 -2.451 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -17.000 -5.248 -0.786 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.538 -4.248 -1.458 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.826 -5.082 0.056 1.00 0.00 H new ATOM 1427 N GLU A 91 -14.226 -6.351 -4.178 1.00 0.00 N ATOM 1428 CA GLU A 91 -14.078 -6.258 -5.625 1.00 0.00 C ATOM 1429 C GLU A 91 -12.758 -6.880 -6.079 1.00 0.00 C ATOM 1430 O GLU A 91 -12.625 -7.308 -7.226 1.00 0.00 O ATOM 1431 CB GLU A 91 -14.149 -4.796 -6.066 1.00 0.00 C ATOM 1432 CG GLU A 91 -15.301 -4.498 -7.009 1.00 0.00 C ATOM 1433 CD GLU A 91 -16.644 -4.911 -6.439 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -16.781 -4.932 -5.197 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -17.559 -5.213 -7.234 1.00 0.00 O ATOM 0 H GLU A 91 -13.922 -5.520 -3.670 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.894 -6.812 -6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.241 -4.164 -5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.212 -4.527 -6.554 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.317 -3.431 -7.231 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.136 -5.017 -7.953 1.00 0.00 H new ATOM 1442 N TYR A 92 -11.786 -6.922 -5.173 1.00 0.00 N ATOM 1443 CA TYR A 92 -10.476 -7.487 -5.480 1.00 0.00 C ATOM 1444 C TYR A 92 -10.169 -8.675 -4.573 1.00 0.00 C ATOM 1445 O TYR A 92 -9.850 -9.765 -5.048 1.00 0.00 O ATOM 1446 CB TYR A 92 -9.390 -6.419 -5.330 1.00 0.00 C ATOM 1447 CG TYR A 92 -9.848 -5.030 -5.716 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -10.615 -4.825 -6.855 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.518 -3.927 -4.939 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -11.041 -3.560 -7.211 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -9.939 -2.657 -5.289 1.00 0.00 C ATOM 1452 CZ TYR A 92 -10.700 -2.480 -6.425 1.00 0.00 C ATOM 1453 OH TYR A 92 -11.121 -1.218 -6.776 1.00 0.00 O ATOM 0 H TYR A 92 -11.881 -6.571 -4.220 1.00 0.00 H new ATOM 0 HA TYR A 92 -10.491 -7.837 -6.512 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.047 -6.405 -4.296 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.534 -6.694 -5.946 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.883 -5.669 -7.473 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.923 -4.063 -4.048 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.638 -3.418 -8.100 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.673 -1.809 -4.676 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.797 -0.570 -6.117 1.00 0.00 H new ATOM 1463 N GLY A 93 -10.269 -8.455 -3.267 1.00 0.00 N ATOM 1464 CA GLY A 93 -10.001 -9.514 -2.312 1.00 0.00 C ATOM 1465 C GLY A 93 -8.653 -9.363 -1.636 1.00 0.00 C ATOM 1466 O GLY A 93 -7.624 -9.738 -2.197 1.00 0.00 O ATOM 0 H GLY A 93 -10.531 -7.561 -2.852 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.784 -9.521 -1.554 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.042 -10.477 -2.822 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.661 -8.817 -0.424 1.00 0.00 N ATOM 1471 CA GLU A 94 -7.431 -8.619 0.335 1.00 0.00 C ATOM 1472 C GLU A 94 -6.480 -7.675 -0.393 1.00 0.00 C ATOM 1473 O GLU A 94 -5.602 -8.115 -1.137 1.00 0.00 O ATOM 1474 CB GLU A 94 -6.741 -9.961 0.588 1.00 0.00 C ATOM 1475 CG GLU A 94 -5.481 -9.849 1.430 1.00 0.00 C ATOM 1476 CD GLU A 94 -4.221 -9.794 0.588 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -4.202 -10.417 -0.495 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -3.252 -9.131 1.013 1.00 0.00 O ATOM 0 H GLU A 94 -9.506 -8.504 0.054 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.697 -8.167 1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.442 -10.632 1.085 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.489 -10.416 -0.370 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.540 -8.953 2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.424 -10.701 2.108 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.656 -6.377 -0.171 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.812 -5.370 -0.802 1.00 0.00 C ATOM 1487 C VAL A 95 -5.332 -4.344 0.220 1.00 0.00 C ATOM 1488 O VAL A 95 -6.051 -4.011 1.161 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.560 -4.639 -1.933 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.882 -5.598 -3.068 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.826 -3.988 -1.400 1.00 0.00 C ATOM 0 H VAL A 95 -7.377 -5.997 0.442 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.953 -5.892 -1.224 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.912 -3.855 -2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.410 -5.063 -3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.957 -6.013 -3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.510 -6.406 -2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.342 -3.476 -2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.479 -4.753 -0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.566 -3.268 -0.625 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.119 -3.841 0.028 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.560 -2.850 0.938 1.00 0.00 C ATOM 1503 C ILE A 96 -4.023 -1.452 0.544 1.00 0.00 C ATOM 1504 O ILE A 96 -3.805 -1.009 -0.581 1.00 0.00 O ATOM 1505 CB ILE A 96 -2.014 -2.928 0.973 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.577 -3.870 2.099 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.380 -1.549 1.146 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.749 -3.290 3.485 1.00 0.00 C ATOM 0 H ILE A 96 -3.507 -4.101 -0.745 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.923 -3.068 1.942 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.669 -3.320 0.016 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.150 -4.794 2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.529 -4.133 1.953 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.295 -1.647 1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.671 -0.908 0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.721 -1.106 2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.418 -4.016 4.227 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.154 -2.382 3.576 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.800 -3.053 3.653 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.680 -0.775 1.477 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.199 0.564 1.229 1.00 0.00 C ATOM 1522 C GLN A 97 -4.284 1.639 1.804 1.00 0.00 C ATOM 1523 O GLN A 97 -4.163 1.782 3.019 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.601 0.701 1.832 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.668 1.072 0.816 1.00 0.00 C ATOM 1526 CD GLN A 97 -9.033 1.264 1.447 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -9.092 2.068 2.502 1.00 0.00 O flip ATOM 1528 NE2 GLN A 97 -10.026 0.693 0.993 1.00 0.00 N flip ATOM 0 H GLN A 97 -4.866 -1.132 2.414 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.247 0.706 0.149 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.876 -0.240 2.308 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.578 1.459 2.615 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.375 1.990 0.306 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.729 0.292 0.057 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.937 0.083 0.180 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.937 0.830 1.430 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.662 2.408 0.919 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.779 3.489 1.335 1.00 0.00 C ATOM 1539 C LEU A 98 -3.510 4.820 1.253 1.00 0.00 C ATOM 1540 O LEU A 98 -4.488 4.951 0.521 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.529 3.534 0.459 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.771 2.212 0.345 1.00 0.00 C ATOM 1543 CD1 LEU A 98 -0.209 2.042 -1.059 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.340 2.147 1.383 1.00 0.00 C ATOM 0 H LEU A 98 -3.753 2.303 -0.091 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.476 3.306 2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.816 3.858 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.852 4.290 0.857 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.466 1.394 0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.328 1.096 -1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.026 2.046 -1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.474 2.862 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.871 1.200 1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.036 2.970 1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.090 2.225 2.382 1.00 0.00 H new ATOM 1556 N GLN A 99 -3.032 5.804 2.000 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.652 7.123 2.000 1.00 0.00 C ATOM 1558 C GLN A 99 -2.954 8.052 1.012 1.00 0.00 C ATOM 1559 O GLN A 99 -1.726 8.130 0.978 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.617 7.727 3.405 1.00 0.00 C ATOM 1561 CG GLN A 99 -4.985 7.819 4.063 1.00 0.00 C ATOM 1562 CD GLN A 99 -5.774 9.027 3.601 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -5.205 10.075 3.294 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -7.093 8.887 3.551 1.00 0.00 N ATOM 0 H GLN A 99 -2.221 5.716 2.612 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.691 7.010 1.690 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.961 7.125 4.034 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.181 8.725 3.352 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.551 6.914 3.843 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.861 7.863 5.145 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -7.522 8.000 3.815 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -7.677 9.666 3.249 1.00 0.00 H new ATOM 1573 N GLY A 100 -3.747 8.753 0.207 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.188 9.666 -0.773 1.00 0.00 C ATOM 1575 C GLY A 100 -2.832 8.972 -2.072 1.00 0.00 C ATOM 1576 O GLY A 100 -2.761 7.745 -2.129 1.00 0.00 O ATOM 0 H GLY A 100 -4.766 8.705 0.216 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.905 10.462 -0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.296 10.137 -0.360 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.608 9.758 -3.120 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.257 9.207 -4.424 1.00 0.00 C ATOM 1582 C ASP A 101 -0.900 8.514 -4.371 1.00 0.00 C ATOM 1583 O ASP A 101 0.118 9.089 -4.759 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.239 10.314 -5.482 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.309 11.453 -5.113 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -0.936 11.555 -3.926 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -0.955 12.244 -6.012 1.00 0.00 O ATOM 0 H ASP A 101 -2.663 10.776 -3.092 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.012 8.469 -4.696 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.931 9.893 -6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.249 10.702 -5.615 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.891 7.279 -3.879 1.00 0.00 N ATOM 1593 CA GLN A 102 0.342 6.509 -3.763 1.00 0.00 C ATOM 1594 C GLN A 102 0.655 5.747 -5.047 1.00 0.00 C ATOM 1595 O GLN A 102 1.660 5.046 -5.121 1.00 0.00 O ATOM 1596 CB GLN A 102 0.247 5.526 -2.595 1.00 0.00 C ATOM 1597 CG GLN A 102 0.024 6.193 -1.248 1.00 0.00 C ATOM 1598 CD GLN A 102 0.904 7.411 -1.043 1.00 0.00 C ATOM 1599 OE1 GLN A 102 0.445 8.553 -1.536 1.00 0.00 O flip ATOM 1600 NE2 GLN A 102 1.979 7.324 -0.450 1.00 0.00 N flip ATOM 0 H GLN A 102 -1.725 6.790 -3.554 1.00 0.00 H new ATOM 0 HA GLN A 102 1.151 7.216 -3.581 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.569 4.829 -2.784 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.164 4.938 -2.551 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -1.022 6.487 -1.162 1.00 0.00 H new ATOM 0 HG3 GLN A 102 0.218 5.472 -0.454 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.290 6.423 -0.088 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.559 8.153 -0.320 1.00 0.00 H new ATOM 1609 N ARG A 103 -0.202 5.880 -6.057 1.00 0.00 N ATOM 1610 CA ARG A 103 -0.001 5.188 -7.331 1.00 0.00 C ATOM 1611 C ARG A 103 1.459 5.251 -7.779 1.00 0.00 C ATOM 1612 O ARG A 103 1.952 4.343 -8.448 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.901 5.792 -8.411 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.570 7.238 -8.743 1.00 0.00 C ATOM 1615 CD ARG A 103 0.370 7.335 -9.934 1.00 0.00 C ATOM 1616 NE ARG A 103 -0.345 7.631 -11.173 1.00 0.00 N ATOM 1617 CZ ARG A 103 -0.766 8.848 -11.513 1.00 0.00 C ATOM 1618 NH1 ARG A 103 -0.545 9.883 -10.711 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -1.411 9.031 -12.658 1.00 0.00 N ATOM 0 H ARG A 103 -1.041 6.459 -6.020 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.266 4.141 -7.183 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.819 5.192 -9.317 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.939 5.732 -8.082 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.489 7.783 -8.958 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -0.112 7.716 -7.877 1.00 0.00 H new ATOM 0 HD2 ARG A 103 1.111 8.113 -9.749 1.00 0.00 H new ATOM 0 HD3 ARG A 103 0.913 6.397 -10.044 1.00 0.00 H new ATOM 0 HE ARG A 103 -0.533 6.861 -11.815 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -0.050 9.748 -9.829 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -0.870 10.813 -10.977 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.584 8.240 -13.278 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -1.733 9.963 -12.918 1.00 0.00 H new ATOM 1633 N LYS A 104 2.145 6.325 -7.403 1.00 0.00 N ATOM 1634 CA LYS A 104 3.547 6.502 -7.762 1.00 0.00 C ATOM 1635 C LYS A 104 4.463 6.167 -6.587 1.00 0.00 C ATOM 1636 O LYS A 104 5.633 5.836 -6.775 1.00 0.00 O ATOM 1637 CB LYS A 104 3.798 7.940 -8.221 1.00 0.00 C ATOM 1638 CG LYS A 104 5.204 8.174 -8.751 1.00 0.00 C ATOM 1639 CD LYS A 104 5.866 9.366 -8.077 1.00 0.00 C ATOM 1640 CE LYS A 104 6.616 8.953 -6.822 1.00 0.00 C ATOM 1641 NZ LYS A 104 6.504 9.975 -5.745 1.00 0.00 N ATOM 0 H LYS A 104 1.752 7.086 -6.849 1.00 0.00 H new ATOM 0 HA LYS A 104 3.773 5.818 -8.580 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.078 8.195 -8.999 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.617 8.616 -7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.808 7.281 -8.588 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.165 8.340 -9.828 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.556 9.842 -8.774 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.109 10.107 -7.822 1.00 0.00 H new ATOM 0 HE2 LYS A 104 6.224 8.002 -6.462 1.00 0.00 H new ATOM 0 HE3 LYS A 104 7.667 8.794 -7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.380 9.986 -5.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.353 10.912 -6.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.701 9.741 -5.127 1.00 0.00 H new ATOM 1655 N ASN A 105 3.925 6.260 -5.374 1.00 0.00 N ATOM 1656 CA ASN A 105 4.696 5.971 -4.169 1.00 0.00 C ATOM 1657 C ASN A 105 4.659 4.484 -3.828 1.00 0.00 C ATOM 1658 O ASN A 105 5.674 3.903 -3.446 1.00 0.00 O ATOM 1659 CB ASN A 105 4.160 6.787 -2.994 1.00 0.00 C ATOM 1660 CG ASN A 105 4.237 8.280 -3.243 1.00 0.00 C ATOM 1661 OD1 ASN A 105 4.108 8.740 -4.377 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.449 9.045 -2.179 1.00 0.00 N ATOM 0 H ASN A 105 2.958 6.533 -5.200 1.00 0.00 H new ATOM 0 HA ASN A 105 5.732 6.249 -4.361 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.124 6.506 -2.803 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.727 6.542 -2.096 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.511 10.058 -2.283 1.00 0.00 H new ATOM 0 HD22 ASN A 105 4.550 8.620 -1.257 1.00 0.00 H new ATOM 1669 N ILE A 106 3.485 3.874 -3.959 1.00 0.00 N ATOM 1670 CA ILE A 106 3.329 2.458 -3.654 1.00 0.00 C ATOM 1671 C ILE A 106 4.126 1.592 -4.625 1.00 0.00 C ATOM 1672 O ILE A 106 4.913 0.747 -4.202 1.00 0.00 O ATOM 1673 CB ILE A 106 1.848 2.027 -3.652 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.702 0.644 -3.018 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.272 2.030 -5.060 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.302 0.544 -1.631 1.00 0.00 C ATOM 0 H ILE A 106 2.632 4.337 -4.273 1.00 0.00 H new ATOM 0 HA ILE A 106 3.723 2.309 -2.649 1.00 0.00 H new ATOM 0 HB ILE A 106 1.286 2.749 -3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.644 0.388 -2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.177 -0.094 -3.664 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.227 1.722 -5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.341 3.034 -5.479 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.835 1.336 -5.685 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.160 -0.466 -1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.368 0.768 -1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.810 1.257 -0.970 1.00 0.00 H new ATOM 1688 N CYS A 107 3.949 1.821 -5.926 1.00 0.00 N ATOM 1689 CA CYS A 107 4.694 1.066 -6.928 1.00 0.00 C ATOM 1690 C CYS A 107 6.182 1.223 -6.649 1.00 0.00 C ATOM 1691 O CYS A 107 6.969 0.285 -6.790 1.00 0.00 O ATOM 1692 CB CYS A 107 4.363 1.569 -8.334 1.00 0.00 C ATOM 1693 SG CYS A 107 4.727 3.320 -8.597 1.00 0.00 S ATOM 0 H CYS A 107 3.304 2.514 -6.306 1.00 0.00 H new ATOM 0 HA CYS A 107 4.416 0.013 -6.873 1.00 0.00 H new ATOM 0 HB2 CYS A 107 4.923 0.980 -9.060 1.00 0.00 H new ATOM 0 HB3 CYS A 107 3.305 1.395 -8.530 1.00 0.00 H new ATOM 0 HG CYS A 107 3.619 3.967 -8.807 1.00 0.00 H new ATOM 1699 N GLN A 108 6.539 2.425 -6.212 1.00 0.00 N ATOM 1700 CA GLN A 108 7.913 2.751 -5.861 1.00 0.00 C ATOM 1701 C GLN A 108 8.287 2.051 -4.556 1.00 0.00 C ATOM 1702 O GLN A 108 9.433 1.653 -4.354 1.00 0.00 O ATOM 1703 CB GLN A 108 8.060 4.279 -5.744 1.00 0.00 C ATOM 1704 CG GLN A 108 9.138 4.754 -4.776 1.00 0.00 C ATOM 1705 CD GLN A 108 10.450 5.066 -5.468 1.00 0.00 C ATOM 1706 OE1 GLN A 108 11.281 4.046 -5.649 1.00 0.00 O flip ATOM 1707 NE2 GLN A 108 10.715 6.210 -5.837 1.00 0.00 N flip ATOM 0 H GLN A 108 5.885 3.198 -6.092 1.00 0.00 H new ATOM 0 HA GLN A 108 8.593 2.402 -6.638 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.277 4.684 -6.732 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.103 4.697 -5.431 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.786 5.645 -4.255 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.304 3.987 -4.019 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.047 6.965 -5.678 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.602 6.403 -6.302 1.00 0.00 H new ATOM 1716 N PHE A 109 7.298 1.901 -3.678 1.00 0.00 N ATOM 1717 CA PHE A 109 7.497 1.245 -2.392 1.00 0.00 C ATOM 1718 C PHE A 109 7.650 -0.261 -2.580 1.00 0.00 C ATOM 1719 O PHE A 109 8.547 -0.882 -2.013 1.00 0.00 O ATOM 1720 CB PHE A 109 6.314 1.534 -1.466 1.00 0.00 C ATOM 1721 CG PHE A 109 6.404 0.842 -0.138 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.348 1.233 0.796 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.545 -0.199 0.177 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.434 0.601 2.023 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.626 -0.836 1.400 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.572 -0.435 2.324 1.00 0.00 C ATOM 0 H PHE A 109 6.345 2.228 -3.837 1.00 0.00 H new ATOM 0 HA PHE A 109 8.409 1.637 -1.941 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.247 2.609 -1.301 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.393 1.230 -1.963 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.025 2.041 0.564 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.804 -0.516 -0.542 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.173 0.917 2.744 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.951 -1.646 1.634 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.637 -0.931 3.281 1.00 0.00 H new ATOM 1736 N LEU A 110 6.761 -0.838 -3.384 1.00 0.00 N ATOM 1737 CA LEU A 110 6.784 -2.270 -3.654 1.00 0.00 C ATOM 1738 C LEU A 110 8.136 -2.692 -4.216 1.00 0.00 C ATOM 1739 O LEU A 110 8.581 -3.821 -4.008 1.00 0.00 O ATOM 1740 CB LEU A 110 5.673 -2.637 -4.642 1.00 0.00 C ATOM 1741 CG LEU A 110 4.315 -2.970 -4.012 1.00 0.00 C ATOM 1742 CD1 LEU A 110 3.999 -2.016 -2.870 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.217 -2.922 -5.064 1.00 0.00 C ATOM 0 H LEU A 110 6.014 -0.333 -3.861 1.00 0.00 H new ATOM 0 HA LEU A 110 6.619 -2.798 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.539 -1.807 -5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.002 -3.494 -5.230 1.00 0.00 H new ATOM 0 HG LEU A 110 4.366 -3.980 -3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.031 -2.272 -2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.770 -2.097 -2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.969 -0.994 -3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.259 -3.161 -4.601 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.172 -1.923 -5.497 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.432 -3.648 -5.848 1.00 0.00 H new ATOM 1755 N VAL A 111 8.785 -1.779 -4.928 1.00 0.00 N ATOM 1756 CA VAL A 111 10.086 -2.058 -5.518 1.00 0.00 C ATOM 1757 C VAL A 111 11.216 -1.657 -4.573 1.00 0.00 C ATOM 1758 O VAL A 111 12.288 -2.262 -4.580 1.00 0.00 O ATOM 1759 CB VAL A 111 10.260 -1.321 -6.861 1.00 0.00 C ATOM 1760 CG1 VAL A 111 11.617 -1.628 -7.479 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.137 -1.688 -7.819 1.00 0.00 C ATOM 0 H VAL A 111 8.431 -0.840 -5.110 1.00 0.00 H new ATOM 0 HA VAL A 111 10.133 -3.133 -5.695 1.00 0.00 H new ATOM 0 HB VAL A 111 10.213 -0.249 -6.669 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.715 -1.096 -8.425 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.407 -1.308 -6.800 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.702 -2.700 -7.655 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.276 -1.159 -8.762 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.150 -2.763 -8.001 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.179 -1.406 -7.382 1.00 0.00 H new ATOM 1771 N GLU A 112 10.968 -0.635 -3.762 1.00 0.00 N ATOM 1772 CA GLU A 112 11.965 -0.155 -2.811 1.00 0.00 C ATOM 1773 C GLU A 112 12.190 -1.171 -1.697 1.00 0.00 C ATOM 1774 O GLU A 112 13.324 -1.420 -1.288 1.00 0.00 O ATOM 1775 CB GLU A 112 11.523 1.180 -2.210 1.00 0.00 C ATOM 1776 CG GLU A 112 11.795 2.375 -3.110 1.00 0.00 C ATOM 1777 CD GLU A 112 12.904 3.266 -2.584 1.00 0.00 C ATOM 1778 OE1 GLU A 112 13.148 3.250 -1.359 1.00 0.00 O ATOM 1779 OE2 GLU A 112 13.527 3.980 -3.396 1.00 0.00 O ATOM 0 H GLU A 112 10.086 -0.123 -3.743 1.00 0.00 H new ATOM 0 HA GLU A 112 12.903 -0.016 -3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.456 1.135 -1.993 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.036 1.328 -1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.061 2.021 -4.106 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.882 2.961 -3.214 1.00 0.00 H new ATOM 1786 N ILE A 113 11.101 -1.752 -1.209 1.00 0.00 N ATOM 1787 CA ILE A 113 11.171 -2.738 -0.139 1.00 0.00 C ATOM 1788 C ILE A 113 11.345 -4.148 -0.694 1.00 0.00 C ATOM 1789 O ILE A 113 11.937 -5.014 -0.048 1.00 0.00 O ATOM 1790 CB ILE A 113 9.904 -2.694 0.742 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.709 -3.301 -0.005 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.606 -1.261 1.159 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.395 -3.171 0.734 1.00 0.00 C ATOM 0 H ILE A 113 10.156 -1.556 -1.539 1.00 0.00 H new ATOM 0 HA ILE A 113 12.040 -2.486 0.469 1.00 0.00 H new ATOM 0 HB ILE A 113 10.080 -3.287 1.640 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.617 -2.818 -0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.907 -4.357 -0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.710 -1.242 1.780 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.449 -0.864 1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.445 -0.650 0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.599 -3.623 0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.466 -3.679 1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.172 -2.117 0.897 1.00 0.00 H new ATOM 1805 N GLY A 114 10.811 -4.375 -1.889 1.00 0.00 N ATOM 1806 CA GLY A 114 10.902 -5.683 -2.508 1.00 0.00 C ATOM 1807 C GLY A 114 9.619 -6.471 -2.341 1.00 0.00 C ATOM 1808 O GLY A 114 9.641 -7.697 -2.244 1.00 0.00 O ATOM 0 H GLY A 114 10.316 -3.674 -2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.124 -5.569 -3.569 1.00 0.00 H new ATOM 0 HA3 GLY A 114 11.730 -6.238 -2.067 1.00 0.00 H new ATOM 1812 N LEU A 115 8.499 -5.756 -2.306 1.00 0.00 N ATOM 1813 CA LEU A 115 7.192 -6.382 -2.146 1.00 0.00 C ATOM 1814 C LEU A 115 6.728 -7.006 -3.458 1.00 0.00 C ATOM 1815 O LEU A 115 6.691 -8.229 -3.596 1.00 0.00 O ATOM 1816 CB LEU A 115 6.172 -5.349 -1.658 1.00 0.00 C ATOM 1817 CG LEU A 115 5.176 -5.852 -0.610 1.00 0.00 C ATOM 1818 CD1 LEU A 115 5.894 -6.576 0.520 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.351 -4.698 -0.067 1.00 0.00 C ATOM 0 H LEU A 115 8.471 -4.740 -2.387 1.00 0.00 H new ATOM 0 HA LEU A 115 7.276 -7.175 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.712 -4.499 -1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.613 -4.981 -2.518 1.00 0.00 H new ATOM 0 HG LEU A 115 4.504 -6.563 -1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.164 -6.923 1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.439 -7.430 0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.594 -5.894 1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.648 -5.072 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.012 -3.964 0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.801 -4.229 -0.883 1.00 0.00 H new ATOM 1831 N ALA A 116 6.383 -6.159 -4.421 1.00 0.00 N ATOM 1832 CA ALA A 116 5.934 -6.630 -5.724 1.00 0.00 C ATOM 1833 C ALA A 116 7.112 -6.737 -6.686 1.00 0.00 C ATOM 1834 O ALA A 116 8.265 -6.587 -6.285 1.00 0.00 O ATOM 1835 CB ALA A 116 4.872 -5.698 -6.290 1.00 0.00 C ATOM 0 H ALA A 116 6.406 -5.144 -4.323 1.00 0.00 H new ATOM 0 HA ALA A 116 5.496 -7.620 -5.600 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.548 -6.065 -7.264 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.019 -5.664 -5.612 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.288 -4.696 -6.400 1.00 0.00 H new ATOM 1841 N LYS A 117 6.818 -6.986 -7.957 1.00 0.00 N ATOM 1842 CA LYS A 117 7.861 -7.099 -8.970 1.00 0.00 C ATOM 1843 C LYS A 117 7.767 -5.947 -9.961 1.00 0.00 C ATOM 1844 O LYS A 117 6.681 -5.427 -10.220 1.00 0.00 O ATOM 1845 CB LYS A 117 7.755 -8.436 -9.704 1.00 0.00 C ATOM 1846 CG LYS A 117 8.953 -9.346 -9.485 1.00 0.00 C ATOM 1847 CD LYS A 117 9.110 -9.723 -8.018 1.00 0.00 C ATOM 1848 CE LYS A 117 10.274 -8.987 -7.372 1.00 0.00 C ATOM 1849 NZ LYS A 117 11.134 -9.903 -6.574 1.00 0.00 N ATOM 0 H LYS A 117 5.869 -7.113 -8.310 1.00 0.00 H new ATOM 0 HA LYS A 117 8.829 -7.053 -8.471 1.00 0.00 H new ATOM 0 HB2 LYS A 117 6.853 -8.951 -9.375 1.00 0.00 H new ATOM 0 HB3 LYS A 117 7.643 -8.247 -10.772 1.00 0.00 H new ATOM 0 HG2 LYS A 117 8.838 -10.250 -10.083 1.00 0.00 H new ATOM 0 HG3 LYS A 117 9.858 -8.847 -9.832 1.00 0.00 H new ATOM 0 HD2 LYS A 117 8.190 -9.491 -7.482 1.00 0.00 H new ATOM 0 HD3 LYS A 117 9.266 -10.798 -7.933 1.00 0.00 H new ATOM 0 HE2 LYS A 117 10.874 -8.507 -8.145 1.00 0.00 H new ATOM 0 HE3 LYS A 117 9.891 -8.195 -6.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 11.916 -9.364 -6.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 10.568 -10.342 -5.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 11.520 -10.644 -7.193 1.00 0.00 H new ATOM 1863 N ASP A 118 8.908 -5.547 -10.513 1.00 0.00 N ATOM 1864 CA ASP A 118 8.939 -4.451 -11.474 1.00 0.00 C ATOM 1865 C ASP A 118 8.048 -4.762 -12.671 1.00 0.00 C ATOM 1866 O ASP A 118 7.474 -3.862 -13.283 1.00 0.00 O ATOM 1867 CB ASP A 118 10.368 -4.178 -11.941 1.00 0.00 C ATOM 1868 CG ASP A 118 11.364 -4.176 -10.797 1.00 0.00 C ATOM 1869 OD1 ASP A 118 11.113 -3.477 -9.793 1.00 0.00 O ATOM 1870 OD2 ASP A 118 12.394 -4.872 -10.907 1.00 0.00 O ATOM 0 H ASP A 118 9.818 -5.962 -10.313 1.00 0.00 H new ATOM 0 HA ASP A 118 8.560 -3.558 -10.978 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.659 -4.934 -12.670 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.402 -3.215 -12.450 1.00 0.00 H new ATOM 1875 N ASP A 119 7.930 -6.047 -12.990 1.00 0.00 N ATOM 1876 CA ASP A 119 7.097 -6.483 -14.103 1.00 0.00 C ATOM 1877 C ASP A 119 5.633 -6.522 -13.683 1.00 0.00 C ATOM 1878 O ASP A 119 4.732 -6.359 -14.506 1.00 0.00 O ATOM 1879 CB ASP A 119 7.540 -7.863 -14.592 1.00 0.00 C ATOM 1880 CG ASP A 119 7.459 -8.915 -13.503 1.00 0.00 C ATOM 1881 OD1 ASP A 119 8.459 -9.095 -12.776 1.00 0.00 O ATOM 1882 OD2 ASP A 119 6.396 -9.559 -13.377 1.00 0.00 O ATOM 0 H ASP A 119 8.401 -6.803 -12.493 1.00 0.00 H new ATOM 0 HA ASP A 119 7.210 -5.770 -14.920 1.00 0.00 H new ATOM 0 HB2 ASP A 119 6.916 -8.165 -15.433 1.00 0.00 H new ATOM 0 HB3 ASP A 119 8.564 -7.803 -14.961 1.00 0.00 H new ATOM 1887 N GLN A 120 5.405 -6.734 -12.389 1.00 0.00 N ATOM 1888 CA GLN A 120 4.055 -6.789 -11.846 1.00 0.00 C ATOM 1889 C GLN A 120 3.529 -5.390 -11.526 1.00 0.00 C ATOM 1890 O GLN A 120 2.378 -5.229 -11.125 1.00 0.00 O ATOM 1891 CB GLN A 120 4.030 -7.650 -10.584 1.00 0.00 C ATOM 1892 CG GLN A 120 4.584 -9.051 -10.787 1.00 0.00 C ATOM 1893 CD GLN A 120 4.288 -9.975 -9.619 1.00 0.00 C ATOM 1894 OE1 GLN A 120 4.091 -11.177 -9.801 1.00 0.00 O ATOM 1895 NE2 GLN A 120 4.255 -9.421 -8.412 1.00 0.00 N ATOM 0 H GLN A 120 6.142 -6.871 -11.697 1.00 0.00 H new ATOM 0 HA GLN A 120 3.408 -7.234 -12.602 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.605 -7.151 -9.804 1.00 0.00 H new ATOM 0 HB3 GLN A 120 3.003 -7.724 -10.226 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.161 -9.476 -11.697 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.662 -8.993 -10.934 1.00 0.00 H new ATOM 0 HE21 GLN A 120 4.424 -8.421 -8.305 1.00 0.00 H new ATOM 0 HE22 GLN A 120 4.061 -9.996 -7.592 1.00 0.00 H new ATOM 1904 N LEU A 121 4.378 -4.382 -11.707 1.00 0.00 N ATOM 1905 CA LEU A 121 3.994 -3.000 -11.436 1.00 0.00 C ATOM 1906 C LEU A 121 2.776 -2.604 -12.263 1.00 0.00 C ATOM 1907 O LEU A 121 2.909 -2.081 -13.369 1.00 0.00 O ATOM 1908 CB LEU A 121 5.158 -2.054 -11.740 1.00 0.00 C ATOM 1909 CG LEU A 121 6.288 -2.062 -10.710 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.526 -1.375 -11.270 1.00 0.00 C ATOM 1911 CD2 LEU A 121 5.840 -1.391 -9.418 1.00 0.00 C ATOM 0 H LEU A 121 5.335 -4.496 -12.040 1.00 0.00 H new ATOM 0 HA LEU A 121 3.738 -2.921 -10.379 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.573 -2.315 -12.713 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.769 -1.039 -11.821 1.00 0.00 H new ATOM 0 HG LEU A 121 6.542 -3.098 -10.487 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.320 -1.390 -10.523 1.00 0.00 H new ATOM 0 HD12 LEU A 121 7.860 -1.900 -12.165 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.286 -0.342 -11.523 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.658 -1.407 -8.697 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.557 -0.359 -9.623 1.00 0.00 H new ATOM 0 HD23 LEU A 121 4.984 -1.927 -9.007 1.00 0.00 H new ATOM 1923 N LYS A 122 1.592 -2.860 -11.721 1.00 0.00 N ATOM 1924 CA LYS A 122 0.352 -2.532 -12.413 1.00 0.00 C ATOM 1925 C LYS A 122 -0.265 -1.253 -11.855 1.00 0.00 C ATOM 1926 O LYS A 122 -1.311 -1.286 -11.206 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.642 -3.690 -12.302 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.621 -4.623 -13.500 1.00 0.00 C ATOM 1929 CD LYS A 122 -1.193 -3.952 -14.738 1.00 0.00 C ATOM 1930 CE LYS A 122 -0.464 -4.391 -15.997 1.00 0.00 C ATOM 1931 NZ LYS A 122 -1.012 -3.733 -17.215 1.00 0.00 N ATOM 0 H LYS A 122 1.464 -3.293 -10.806 1.00 0.00 H new ATOM 0 HA LYS A 122 0.586 -2.367 -13.465 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.421 -4.263 -11.401 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.647 -3.286 -12.184 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.403 -4.941 -13.697 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.195 -5.521 -13.273 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -2.252 -4.193 -14.827 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.120 -2.870 -14.633 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.596 -4.156 -15.903 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.542 -5.473 -16.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.487 -4.059 -18.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -2.017 -3.978 -17.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.914 -2.701 -17.126 1.00 0.00 H new ATOM 1945 N VAL A 123 0.387 -0.124 -12.117 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.100 1.168 -11.645 1.00 0.00 C ATOM 1947 C VAL A 123 -1.242 1.670 -12.522 1.00 0.00 C ATOM 1948 O VAL A 123 -1.048 1.960 -13.702 1.00 0.00 O ATOM 1949 CB VAL A 123 1.025 2.221 -11.625 1.00 0.00 C ATOM 1950 CG1 VAL A 123 1.590 2.432 -13.022 1.00 0.00 C ATOM 1951 CG2 VAL A 123 0.521 3.533 -11.042 1.00 0.00 C ATOM 0 H VAL A 123 1.253 -0.078 -12.653 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.462 1.022 -10.627 1.00 0.00 H new ATOM 0 HB VAL A 123 1.828 1.851 -10.987 1.00 0.00 H new ATOM 0 HG11 VAL A 123 2.383 3.179 -12.985 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.995 1.492 -13.397 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.798 2.776 -13.687 1.00 0.00 H new ATOM 0 HG21 VAL A 123 1.330 4.263 -11.037 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.303 3.908 -11.649 1.00 0.00 H new ATOM 0 HG23 VAL A 123 0.174 3.368 -10.022 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.434 1.766 -11.941 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.602 2.230 -12.682 1.00 0.00 C ATOM 1963 C HIS A 124 -4.073 3.590 -12.181 1.00 0.00 C ATOM 1964 O HIS A 124 -4.553 4.415 -12.958 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.740 1.215 -12.570 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.431 -0.100 -13.214 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.715 -0.379 -14.534 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.853 -1.218 -12.712 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -4.327 -1.610 -14.816 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -3.799 -2.141 -13.727 1.00 0.00 N ATOM 0 H HIS A 124 -2.616 1.530 -10.965 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.312 2.333 -13.728 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -4.967 1.050 -11.517 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.636 1.633 -13.028 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.500 -1.357 -11.701 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -4.425 -2.099 -15.774 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -3.414 -3.083 -13.653 1.00 0.00 H new ATOM 1979 N GLY A 125 -3.940 3.818 -10.879 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.366 5.079 -10.304 1.00 0.00 C ATOM 1981 C GLY A 125 -5.834 5.356 -10.560 1.00 0.00 C ATOM 1982 O GLY A 125 -6.703 4.648 -10.053 1.00 0.00 O ATOM 0 H GLY A 125 -3.546 3.153 -10.213 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.182 5.068 -9.230 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.767 5.888 -10.722 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.111 6.386 -11.351 1.00 0.00 N ATOM 1987 CA PHE A 126 -7.486 6.751 -11.676 1.00 0.00 C ATOM 1988 C PHE A 126 -7.523 7.921 -12.656 1.00 0.00 C ATOM 1989 O PHE A 126 -8.616 8.497 -12.848 1.00 0.00 O ATOM 1990 CB PHE A 126 -8.265 7.096 -10.398 1.00 0.00 C ATOM 1991 CG PHE A 126 -7.974 8.463 -9.836 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -6.741 9.070 -10.030 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -8.940 9.141 -9.109 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -6.480 10.323 -9.512 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -8.684 10.395 -8.589 1.00 0.00 C ATOM 1996 CZ PHE A 126 -7.453 10.987 -8.790 1.00 0.00 C ATOM 1997 OXT PHE A 126 -6.461 8.252 -13.223 1.00 0.00 O ATOM 0 H PHE A 126 -5.403 6.983 -11.779 1.00 0.00 H new ATOM 0 HA PHE A 126 -7.961 5.894 -12.154 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -9.332 7.024 -10.608 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -8.038 6.349 -9.637 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -5.976 8.556 -10.593 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -9.905 8.683 -8.947 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -5.516 10.784 -9.671 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -9.447 10.912 -8.025 1.00 0.00 H new ATOM 0 HZ PHE A 126 -7.251 11.967 -8.384 1.00 0.00 H new