USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=12 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 161:sc= 0.303 USER MOD Set 1.2: A 102 GLN : amide:sc= -5.47! K(o=-5.2!,f=-2.9) USER MOD Set 2.1: A 50 GLN : amide:sc= 0.982 K(o=1.4,f=0.47) USER MOD Set 2.2: A 56 THR OG1 : rot 150:sc= 0.42 USER MOD Set 3.1: A 49 GLN : amide:sc= -0.293 X(o=-9.7,f=-9.5) USER MOD Set 3.2: A 59 THR OG1 : rot 180:sc= 0.0424 USER MOD Set 3.3: A 97 GLN : amide:sc= -9.4! C(o=-9.7!,f=-9.6!) USER MOD Set 4.1: A 45 HIS : no HE2:sc= -6.63! C(o=-15!,f=-16!) USER MOD Set 4.2: A 124 HIS : no HE2:sc= -7.92! C(o=-15!,f=-18!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0553 X(o=-0.055,f=-0.028) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 67:sc= 0.715 USER MOD Single : A 61 GLN : amide:sc= -5.94! C(o=-5.9!,f=-6!) USER MOD Single : A 67 TYR OH : rot -136:sc= 1.08 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+ -110:sc= -0.0744 (180deg=-1.21) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.345 X(o=-0.34,f=-0.046) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 89 HIS : no HD1:sc= -2.52 K(o=-2.5,f=-4.8!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 107 CYS SG : rot 3:sc= -0.408 USER MOD Single : A 108 GLN : amide:sc= -0.693 K(o=-0.69,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -3.64 K(o=-3.6,f=-3.1!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 606 N ASP A 42 1.420 -12.505 -12.698 1.00 0.00 N ATOM 607 CA ASP A 42 0.720 -12.106 -11.481 1.00 0.00 C ATOM 608 C ASP A 42 1.017 -10.650 -11.140 1.00 0.00 C ATOM 609 O ASP A 42 1.577 -10.349 -10.086 1.00 0.00 O ATOM 610 CB ASP A 42 1.121 -13.011 -10.315 1.00 0.00 C ATOM 611 CG ASP A 42 0.197 -14.203 -10.165 1.00 0.00 C ATOM 612 OD1 ASP A 42 -1.034 -13.997 -10.106 1.00 0.00 O ATOM 613 OD2 ASP A 42 0.703 -15.343 -10.108 1.00 0.00 O ATOM 0 HA ASP A 42 -0.351 -12.209 -11.655 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.142 -13.363 -10.466 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.116 -12.432 -9.391 1.00 0.00 H new ATOM 618 N TYR A 43 0.640 -9.752 -12.041 1.00 0.00 N ATOM 619 CA TYR A 43 0.869 -8.327 -11.841 1.00 0.00 C ATOM 620 C TYR A 43 0.242 -7.844 -10.538 1.00 0.00 C ATOM 621 O TYR A 43 -0.623 -8.508 -9.966 1.00 0.00 O ATOM 622 CB TYR A 43 0.302 -7.525 -13.015 1.00 0.00 C ATOM 623 CG TYR A 43 1.001 -7.770 -14.338 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.221 -8.439 -14.403 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.435 -7.326 -15.527 1.00 0.00 C ATOM 626 CE1 TYR A 43 2.850 -8.655 -15.614 1.00 0.00 C ATOM 627 CE2 TYR A 43 1.059 -7.540 -16.740 1.00 0.00 C ATOM 628 CZ TYR A 43 2.266 -8.204 -16.778 1.00 0.00 C ATOM 629 OH TYR A 43 2.892 -8.419 -17.985 1.00 0.00 O ATOM 0 H TYR A 43 0.174 -9.985 -12.918 1.00 0.00 H new ATOM 0 HA TYR A 43 1.946 -8.170 -11.784 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.755 -7.766 -13.127 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.363 -6.463 -12.777 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.682 -8.794 -13.493 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.510 -6.804 -15.502 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.796 -9.175 -15.648 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.604 -7.189 -17.654 1.00 0.00 H new ATOM 0 HH TYR A 43 2.349 -8.040 -18.707 1.00 0.00 H new ATOM 639 N ILE A 44 0.680 -6.676 -10.081 1.00 0.00 N ATOM 640 CA ILE A 44 0.164 -6.089 -8.852 1.00 0.00 C ATOM 641 C ILE A 44 -0.575 -4.788 -9.154 1.00 0.00 C ATOM 642 O ILE A 44 0.041 -3.751 -9.398 1.00 0.00 O ATOM 643 CB ILE A 44 1.292 -5.827 -7.833 1.00 0.00 C ATOM 644 CG1 ILE A 44 1.982 -7.140 -7.459 1.00 0.00 C ATOM 645 CG2 ILE A 44 0.742 -5.145 -6.588 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.034 -8.185 -6.917 1.00 0.00 C ATOM 0 H ILE A 44 1.394 -6.116 -10.546 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.531 -6.804 -8.412 1.00 0.00 H new ATOM 0 HB ILE A 44 2.025 -5.164 -8.292 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.487 -7.540 -8.339 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.752 -6.938 -6.714 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.553 -4.969 -5.881 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.289 -4.193 -6.865 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.010 -5.784 -6.125 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.591 -9.090 -6.673 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.548 -7.804 -6.019 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.279 -8.416 -7.668 1.00 0.00 H new ATOM 658 N HIS A 45 -1.900 -4.864 -9.153 1.00 0.00 N ATOM 659 CA HIS A 45 -2.744 -3.711 -9.445 1.00 0.00 C ATOM 660 C HIS A 45 -2.763 -2.707 -8.295 1.00 0.00 C ATOM 661 O HIS A 45 -3.013 -3.063 -7.145 1.00 0.00 O ATOM 662 CB HIS A 45 -4.170 -4.178 -9.744 1.00 0.00 C ATOM 663 CG HIS A 45 -4.640 -3.855 -11.128 1.00 0.00 C ATOM 664 ND1 HIS A 45 -4.343 -4.636 -12.225 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.403 -2.836 -11.589 1.00 0.00 C ATOM 666 CE1 HIS A 45 -4.902 -4.112 -13.301 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.551 -3.020 -12.941 1.00 0.00 N ATOM 0 H HIS A 45 -2.417 -5.720 -8.951 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.324 -3.208 -10.316 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.227 -5.256 -9.595 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.849 -3.720 -9.025 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.779 -5.486 -12.208 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.818 -2.029 -11.003 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.839 -4.509 -14.303 1.00 0.00 H new ATOM 676 N ILE A 46 -2.518 -1.447 -8.627 1.00 0.00 N ATOM 677 CA ILE A 46 -2.533 -0.371 -7.635 1.00 0.00 C ATOM 678 C ILE A 46 -3.937 0.251 -7.557 1.00 0.00 C ATOM 679 O ILE A 46 -4.816 -0.305 -6.897 1.00 0.00 O ATOM 680 CB ILE A 46 -1.477 0.709 -7.957 1.00 0.00 C ATOM 681 CG1 ILE A 46 -0.083 0.077 -8.045 1.00 0.00 C ATOM 682 CG2 ILE A 46 -1.504 1.817 -6.913 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.475 -0.377 -6.710 1.00 0.00 C ATOM 0 H ILE A 46 -2.306 -1.140 -9.576 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.279 -0.799 -6.665 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.717 1.152 -8.923 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.125 -0.779 -8.719 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.604 0.798 -8.488 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.752 2.567 -7.159 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.490 2.282 -6.901 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.289 1.397 -5.931 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.463 -0.813 -6.858 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.552 0.478 -6.038 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.189 -1.123 -6.273 1.00 0.00 H new ATOM 695 N ARG A 47 -4.160 1.384 -8.244 1.00 0.00 N ATOM 696 CA ARG A 47 -5.469 2.043 -8.266 1.00 0.00 C ATOM 697 C ARG A 47 -5.662 2.992 -7.089 1.00 0.00 C ATOM 698 O ARG A 47 -5.364 2.658 -5.943 1.00 0.00 O ATOM 699 CB ARG A 47 -6.604 1.012 -8.288 1.00 0.00 C ATOM 700 CG ARG A 47 -7.902 1.548 -8.872 1.00 0.00 C ATOM 701 CD ARG A 47 -8.569 0.529 -9.780 1.00 0.00 C ATOM 702 NE ARG A 47 -9.845 1.013 -10.302 1.00 0.00 N ATOM 703 CZ ARG A 47 -9.954 1.968 -11.223 1.00 0.00 C ATOM 704 NH1 ARG A 47 -8.869 2.545 -11.723 1.00 0.00 N ATOM 705 NH2 ARG A 47 -11.153 2.348 -11.643 1.00 0.00 N ATOM 0 H ARG A 47 -3.445 1.861 -8.793 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.500 2.634 -9.181 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.285 0.145 -8.867 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.789 0.665 -7.271 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.582 1.816 -8.064 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.700 2.460 -9.434 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.904 0.293 -10.611 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.731 -0.397 -9.228 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.702 0.595 -9.940 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.945 2.257 -11.402 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.959 3.276 -12.428 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.990 1.909 -11.260 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.238 3.080 -12.349 1.00 0.00 H new ATOM 719 N ILE A 48 -6.180 4.176 -7.398 1.00 0.00 N ATOM 720 CA ILE A 48 -6.447 5.196 -6.390 1.00 0.00 C ATOM 721 C ILE A 48 -7.949 5.459 -6.282 1.00 0.00 C ATOM 722 O ILE A 48 -8.698 5.229 -7.232 1.00 0.00 O ATOM 723 CB ILE A 48 -5.715 6.520 -6.725 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.237 6.426 -6.343 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.367 7.706 -6.023 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.461 7.691 -6.636 1.00 0.00 C ATOM 0 H ILE A 48 -6.425 4.455 -8.348 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.074 4.823 -5.436 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.792 6.680 -7.800 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.158 6.197 -5.280 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.782 5.596 -6.883 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.830 8.620 -6.278 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.405 7.793 -6.344 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.332 7.554 -4.944 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.420 7.556 -6.341 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.511 7.909 -7.703 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.892 8.520 -6.075 1.00 0.00 H new ATOM 738 N GLN A 49 -8.381 5.950 -5.126 1.00 0.00 N ATOM 739 CA GLN A 49 -9.790 6.254 -4.901 1.00 0.00 C ATOM 740 C GLN A 49 -9.938 7.570 -4.144 1.00 0.00 C ATOM 741 O GLN A 49 -9.880 7.600 -2.915 1.00 0.00 O ATOM 742 CB GLN A 49 -10.482 5.122 -4.131 1.00 0.00 C ATOM 743 CG GLN A 49 -9.551 4.331 -3.224 1.00 0.00 C ATOM 744 CD GLN A 49 -10.233 3.132 -2.593 1.00 0.00 C ATOM 745 OE1 GLN A 49 -9.840 1.988 -2.822 1.00 0.00 O ATOM 746 NE2 GLN A 49 -11.259 3.389 -1.791 1.00 0.00 N ATOM 0 H GLN A 49 -7.775 6.146 -4.329 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.272 6.350 -5.874 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.286 5.545 -3.529 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.943 4.440 -4.845 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.689 3.993 -3.800 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.173 4.985 -2.438 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.551 4.353 -1.629 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.755 2.623 -1.336 1.00 0.00 H new ATOM 755 N GLN A 50 -10.120 8.655 -4.889 1.00 0.00 N ATOM 756 CA GLN A 50 -10.267 9.979 -4.291 1.00 0.00 C ATOM 757 C GLN A 50 -11.735 10.328 -4.076 1.00 0.00 C ATOM 758 O GLN A 50 -12.504 10.442 -5.029 1.00 0.00 O ATOM 759 CB GLN A 50 -9.603 11.036 -5.177 1.00 0.00 C ATOM 760 CG GLN A 50 -8.769 12.042 -4.402 1.00 0.00 C ATOM 761 CD GLN A 50 -8.049 13.026 -5.301 1.00 0.00 C ATOM 762 OE1 GLN A 50 -8.616 13.533 -6.269 1.00 0.00 O ATOM 763 NE2 GLN A 50 -6.790 13.302 -4.983 1.00 0.00 N ATOM 0 H GLN A 50 -10.169 8.645 -5.908 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.775 9.964 -3.318 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.968 10.537 -5.909 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.374 11.568 -5.734 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.415 12.590 -3.715 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.037 11.509 -3.795 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.360 12.858 -4.171 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.253 13.958 -5.550 1.00 0.00 H new ATOM 772 N ARG A 51 -12.113 10.504 -2.814 1.00 0.00 N ATOM 773 CA ARG A 51 -13.487 10.850 -2.469 1.00 0.00 C ATOM 774 C ARG A 51 -13.630 12.359 -2.305 1.00 0.00 C ATOM 775 O ARG A 51 -12.901 12.981 -1.533 1.00 0.00 O ATOM 776 CB ARG A 51 -13.910 10.141 -1.181 1.00 0.00 C ATOM 777 CG ARG A 51 -13.478 8.685 -1.118 1.00 0.00 C ATOM 778 CD ARG A 51 -14.058 7.880 -2.268 1.00 0.00 C ATOM 779 NE ARG A 51 -15.228 7.105 -1.860 1.00 0.00 N ATOM 780 CZ ARG A 51 -15.160 5.942 -1.218 1.00 0.00 C ATOM 781 NH1 ARG A 51 -13.982 5.413 -0.909 1.00 0.00 N ATOM 782 NH2 ARG A 51 -16.274 5.304 -0.883 1.00 0.00 N ATOM 0 H ARG A 51 -11.487 10.413 -2.014 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.137 10.521 -3.280 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.489 10.673 -0.328 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.995 10.194 -1.086 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.390 8.626 -1.144 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.798 8.250 -0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.335 8.554 -3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.296 7.206 -2.659 1.00 0.00 H new ATOM 0 HE ARG A 51 -16.151 7.478 -2.081 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.122 5.899 -1.164 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.937 4.521 -0.417 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.182 5.705 -1.118 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.223 4.412 -0.391 1.00 0.00 H new ATOM 796 N ASN A 52 -14.568 12.943 -3.043 1.00 0.00 N ATOM 797 CA ASN A 52 -14.799 14.383 -2.986 1.00 0.00 C ATOM 798 C ASN A 52 -13.601 15.148 -3.540 1.00 0.00 C ATOM 799 O ASN A 52 -13.406 16.324 -3.234 1.00 0.00 O ATOM 800 CB ASN A 52 -15.084 14.823 -1.547 1.00 0.00 C ATOM 801 CG ASN A 52 -16.115 13.943 -0.867 1.00 0.00 C ATOM 802 OD1 ASN A 52 -17.306 14.014 -1.170 1.00 0.00 O ATOM 803 ND2 ASN A 52 -15.661 13.107 0.060 1.00 0.00 N ATOM 0 H ASN A 52 -15.180 12.443 -3.687 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.668 14.610 -3.603 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -14.157 14.802 -0.973 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.435 15.855 -1.548 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.308 12.491 0.552 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.665 13.081 0.280 1.00 0.00 H new ATOM 810 N GLY A 53 -12.800 14.470 -4.359 1.00 0.00 N ATOM 811 CA GLY A 53 -11.632 15.097 -4.948 1.00 0.00 C ATOM 812 C GLY A 53 -10.600 15.500 -3.914 1.00 0.00 C ATOM 813 O GLY A 53 -10.045 16.597 -3.979 1.00 0.00 O ATOM 0 H GLY A 53 -12.941 13.495 -4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.177 14.410 -5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.942 15.979 -5.509 1.00 0.00 H new ATOM 817 N ARG A 54 -10.337 14.613 -2.960 1.00 0.00 N ATOM 818 CA ARG A 54 -9.359 14.892 -1.916 1.00 0.00 C ATOM 819 C ARG A 54 -9.014 13.632 -1.128 1.00 0.00 C ATOM 820 O ARG A 54 -7.843 13.353 -0.871 1.00 0.00 O ATOM 821 CB ARG A 54 -9.888 15.976 -0.974 1.00 0.00 C ATOM 822 CG ARG A 54 -11.053 15.521 -0.109 1.00 0.00 C ATOM 823 CD ARG A 54 -11.714 16.695 0.596 1.00 0.00 C ATOM 824 NE ARG A 54 -10.734 17.600 1.193 1.00 0.00 N ATOM 825 CZ ARG A 54 -10.996 18.861 1.529 1.00 0.00 C ATOM 826 NH1 ARG A 54 -12.206 19.370 1.334 1.00 0.00 N ATOM 827 NH2 ARG A 54 -10.045 19.615 2.064 1.00 0.00 N ATOM 0 H ARG A 54 -10.785 13.699 -2.888 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.447 15.248 -2.395 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.076 16.311 -0.328 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.201 16.837 -1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.788 15.006 -0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.700 14.803 0.631 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.329 17.246 -0.116 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.382 16.322 1.372 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.793 17.244 1.362 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.942 18.794 0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.400 20.337 1.594 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.114 19.228 2.218 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.245 20.581 2.322 1.00 0.00 H new ATOM 841 N LYS A 55 -10.037 12.874 -0.746 1.00 0.00 N ATOM 842 CA LYS A 55 -9.832 11.645 0.011 1.00 0.00 C ATOM 843 C LYS A 55 -9.197 10.570 -0.868 1.00 0.00 C ATOM 844 O LYS A 55 -9.810 9.543 -1.156 1.00 0.00 O ATOM 845 CB LYS A 55 -11.161 11.144 0.581 1.00 0.00 C ATOM 846 CG LYS A 55 -11.046 10.590 1.993 1.00 0.00 C ATOM 847 CD LYS A 55 -10.754 11.690 3.000 1.00 0.00 C ATOM 848 CE LYS A 55 -9.896 11.183 4.148 1.00 0.00 C ATOM 849 NZ LYS A 55 -10.048 12.020 5.369 1.00 0.00 N ATOM 0 H LYS A 55 -11.014 13.089 -0.948 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.154 11.860 0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.880 11.963 0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.559 10.368 -0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.973 10.084 2.263 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.253 9.843 2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.245 12.515 2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.692 12.084 3.392 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.170 10.153 4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.850 11.174 3.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.446 11.640 6.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.763 12.997 5.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.041 12.008 5.677 1.00 0.00 H new ATOM 863 N THR A 56 -7.962 10.820 -1.295 1.00 0.00 N ATOM 864 CA THR A 56 -7.241 9.882 -2.145 1.00 0.00 C ATOM 865 C THR A 56 -6.770 8.672 -1.349 1.00 0.00 C ATOM 866 O THR A 56 -6.247 8.807 -0.242 1.00 0.00 O ATOM 867 CB THR A 56 -6.049 10.577 -2.804 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.164 11.985 -2.697 1.00 0.00 O ATOM 869 CG2 THR A 56 -5.898 10.241 -4.271 1.00 0.00 C ATOM 0 H THR A 56 -7.441 11.666 -1.065 1.00 0.00 H new ATOM 0 HA THR A 56 -7.923 9.533 -2.920 1.00 0.00 H new ATOM 0 HB THR A 56 -5.172 10.211 -2.270 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.270 12.385 -2.662 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.034 10.767 -4.678 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.756 9.166 -4.385 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.795 10.548 -4.809 1.00 0.00 H new ATOM 877 N LEU A 57 -6.958 7.489 -1.920 1.00 0.00 N ATOM 878 CA LEU A 57 -6.554 6.250 -1.270 1.00 0.00 C ATOM 879 C LEU A 57 -6.010 5.258 -2.295 1.00 0.00 C ATOM 880 O LEU A 57 -6.758 4.731 -3.118 1.00 0.00 O ATOM 881 CB LEU A 57 -7.739 5.636 -0.523 1.00 0.00 C ATOM 882 CG LEU A 57 -7.738 5.859 0.990 1.00 0.00 C ATOM 883 CD1 LEU A 57 -9.157 5.784 1.536 1.00 0.00 C ATOM 884 CD2 LEU A 57 -6.840 4.842 1.679 1.00 0.00 C ATOM 0 H LEU A 57 -7.389 7.362 -2.835 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.763 6.478 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.661 6.047 -0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.754 4.563 -0.717 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.343 6.854 1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.141 5.945 2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.770 6.552 1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.578 4.802 1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.852 5.016 2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.203 3.836 1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.821 4.945 1.306 1.00 0.00 H new ATOM 896 N THR A 58 -4.706 5.009 -2.246 1.00 0.00 N ATOM 897 CA THR A 58 -4.068 4.083 -3.176 1.00 0.00 C ATOM 898 C THR A 58 -4.072 2.663 -2.621 1.00 0.00 C ATOM 899 O THR A 58 -3.493 2.397 -1.569 1.00 0.00 O ATOM 900 CB THR A 58 -2.632 4.524 -3.462 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.572 5.921 -3.687 1.00 0.00 O ATOM 902 CG2 THR A 58 -2.024 3.838 -4.667 1.00 0.00 C ATOM 0 H THR A 58 -4.070 5.435 -1.572 1.00 0.00 H new ATOM 0 HA THR A 58 -4.638 4.093 -4.105 1.00 0.00 H new ATOM 0 HB THR A 58 -2.061 4.242 -2.577 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.788 6.396 -2.857 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.005 4.196 -4.814 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.010 2.760 -4.504 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.619 4.063 -5.552 1.00 0.00 H new ATOM 910 N THR A 59 -4.729 1.752 -3.332 1.00 0.00 N ATOM 911 CA THR A 59 -4.804 0.360 -2.897 1.00 0.00 C ATOM 912 C THR A 59 -3.817 -0.514 -3.664 1.00 0.00 C ATOM 913 O THR A 59 -3.333 -0.136 -4.731 1.00 0.00 O ATOM 914 CB THR A 59 -6.225 -0.180 -3.073 1.00 0.00 C ATOM 915 OG1 THR A 59 -6.936 0.578 -4.035 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.031 -0.169 -1.792 1.00 0.00 C ATOM 0 H THR A 59 -5.215 1.950 -4.207 1.00 0.00 H new ATOM 0 HA THR A 59 -4.538 0.328 -1.840 1.00 0.00 H new ATOM 0 HB THR A 59 -6.103 -1.213 -3.398 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.841 0.215 -4.134 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.028 -0.564 -1.986 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.535 -0.788 -1.044 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.111 0.853 -1.422 1.00 0.00 H new ATOM 924 N VAL A 60 -3.528 -1.687 -3.110 1.00 0.00 N ATOM 925 CA VAL A 60 -2.603 -2.625 -3.735 1.00 0.00 C ATOM 926 C VAL A 60 -3.216 -4.018 -3.828 1.00 0.00 C ATOM 927 O VAL A 60 -3.519 -4.642 -2.810 1.00 0.00 O ATOM 928 CB VAL A 60 -1.277 -2.713 -2.957 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.287 -3.628 -3.667 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.686 -1.327 -2.766 1.00 0.00 C ATOM 0 H VAL A 60 -3.922 -2.011 -2.227 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.402 -2.249 -4.738 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.483 -3.141 -1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.641 -3.672 -3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.711 -4.629 -3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.082 -3.238 -4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.251 -1.404 -2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.498 -0.874 -3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.386 -0.707 -2.207 1.00 0.00 H new ATOM 940 N GLN A 61 -3.389 -4.499 -5.055 1.00 0.00 N ATOM 941 CA GLN A 61 -3.959 -5.823 -5.286 1.00 0.00 C ATOM 942 C GLN A 61 -2.937 -6.731 -5.960 1.00 0.00 C ATOM 943 O GLN A 61 -2.158 -6.287 -6.802 1.00 0.00 O ATOM 944 CB GLN A 61 -5.228 -5.739 -6.146 1.00 0.00 C ATOM 945 CG GLN A 61 -5.691 -4.319 -6.441 1.00 0.00 C ATOM 946 CD GLN A 61 -7.055 -4.269 -7.109 1.00 0.00 C ATOM 947 OE1 GLN A 61 -7.832 -3.344 -6.880 1.00 0.00 O ATOM 948 NE2 GLN A 61 -7.350 -5.261 -7.943 1.00 0.00 N ATOM 0 H GLN A 61 -3.143 -3.992 -5.905 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.228 -6.243 -4.317 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.048 -6.254 -7.090 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.032 -6.273 -5.640 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.727 -3.753 -5.510 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.959 -3.830 -7.084 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.676 -6.009 -8.104 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.251 -5.274 -8.422 1.00 0.00 H new ATOM 957 N GLY A 62 -2.942 -8.002 -5.579 1.00 0.00 N ATOM 958 CA GLY A 62 -2.007 -8.951 -6.150 1.00 0.00 C ATOM 959 C GLY A 62 -1.005 -9.445 -5.128 1.00 0.00 C ATOM 960 O GLY A 62 -0.518 -10.572 -5.215 1.00 0.00 O ATOM 0 H GLY A 62 -3.578 -8.393 -4.884 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.556 -9.799 -6.559 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.478 -8.484 -6.980 1.00 0.00 H new ATOM 964 N ILE A 63 -0.700 -8.592 -4.157 1.00 0.00 N ATOM 965 CA ILE A 63 0.247 -8.931 -3.104 1.00 0.00 C ATOM 966 C ILE A 63 -0.198 -10.182 -2.351 1.00 0.00 C ATOM 967 O ILE A 63 -1.391 -10.415 -2.161 1.00 0.00 O ATOM 968 CB ILE A 63 0.422 -7.749 -2.122 1.00 0.00 C ATOM 969 CG1 ILE A 63 1.072 -6.553 -2.833 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.245 -8.160 -0.910 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.192 -6.933 -3.778 1.00 0.00 C ATOM 0 H ILE A 63 -1.098 -7.656 -4.078 1.00 0.00 H new ATOM 0 HA ILE A 63 1.209 -9.137 -3.574 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.567 -7.452 -1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.306 -6.015 -3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.461 -5.865 -2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.352 -7.309 -0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.743 -8.975 -0.388 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.231 -8.491 -1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.599 -6.034 -4.240 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.979 -7.443 -3.223 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.806 -7.596 -4.552 1.00 0.00 H new ATOM 983 N ALA A 64 0.775 -10.989 -1.938 1.00 0.00 N ATOM 984 CA ALA A 64 0.495 -12.225 -1.218 1.00 0.00 C ATOM 985 C ALA A 64 0.221 -11.964 0.257 1.00 0.00 C ATOM 986 O ALA A 64 0.914 -11.175 0.900 1.00 0.00 O ATOM 987 CB ALA A 64 1.656 -13.194 -1.376 1.00 0.00 C ATOM 0 H ALA A 64 1.767 -10.807 -2.091 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.404 -12.668 -1.648 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.438 -14.115 -0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.800 -13.420 -2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.563 -12.743 -0.974 1.00 0.00 H new ATOM 993 N ASP A 65 -0.789 -12.643 0.791 1.00 0.00 N ATOM 994 CA ASP A 65 -1.152 -12.497 2.195 1.00 0.00 C ATOM 995 C ASP A 65 -0.034 -13.009 3.100 1.00 0.00 C ATOM 996 O ASP A 65 0.007 -12.697 4.290 1.00 0.00 O ATOM 997 CB ASP A 65 -2.447 -13.258 2.492 1.00 0.00 C ATOM 998 CG ASP A 65 -3.542 -12.964 1.483 1.00 0.00 C ATOM 999 OD1 ASP A 65 -3.258 -13.004 0.268 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -4.684 -12.696 1.911 1.00 0.00 O ATOM 0 H ASP A 65 -1.371 -13.300 0.272 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.306 -11.437 2.396 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.242 -14.328 2.498 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.798 -12.995 3.490 1.00 0.00 H new ATOM 1005 N ASP A 66 0.876 -13.796 2.528 1.00 0.00 N ATOM 1006 CA ASP A 66 1.994 -14.348 3.282 1.00 0.00 C ATOM 1007 C ASP A 66 2.983 -13.254 3.670 1.00 0.00 C ATOM 1008 O ASP A 66 3.698 -13.375 4.665 1.00 0.00 O ATOM 1009 CB ASP A 66 2.704 -15.427 2.463 1.00 0.00 C ATOM 1010 CG ASP A 66 3.185 -16.582 3.319 1.00 0.00 C ATOM 1011 OD1 ASP A 66 4.325 -16.515 3.824 1.00 0.00 O ATOM 1012 OD2 ASP A 66 2.420 -17.557 3.484 1.00 0.00 O ATOM 0 H ASP A 66 0.859 -14.064 1.544 1.00 0.00 H new ATOM 0 HA ASP A 66 1.599 -14.795 4.195 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.025 -15.804 1.698 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.554 -14.984 1.944 1.00 0.00 H new ATOM 1017 N TYR A 67 3.019 -12.184 2.879 1.00 0.00 N ATOM 1018 CA TYR A 67 3.918 -11.066 3.137 1.00 0.00 C ATOM 1019 C TYR A 67 3.853 -10.635 4.598 1.00 0.00 C ATOM 1020 O TYR A 67 2.937 -11.013 5.327 1.00 0.00 O ATOM 1021 CB TYR A 67 3.550 -9.878 2.245 1.00 0.00 C ATOM 1022 CG TYR A 67 3.894 -10.055 0.781 1.00 0.00 C ATOM 1023 CD1 TYR A 67 4.165 -11.307 0.240 1.00 0.00 C ATOM 1024 CD2 TYR A 67 3.942 -8.957 -0.063 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.474 -11.454 -1.100 1.00 0.00 C ATOM 1026 CE2 TYR A 67 4.247 -9.092 -1.401 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.513 -10.343 -1.916 1.00 0.00 C ATOM 1028 OH TYR A 67 4.818 -10.484 -3.250 1.00 0.00 O ATOM 0 H TYR A 67 2.433 -12.069 2.052 1.00 0.00 H new ATOM 0 HA TYR A 67 4.933 -11.395 2.913 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.479 -9.693 2.333 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.059 -8.989 2.619 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.134 -12.179 0.877 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.736 -7.975 0.336 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.684 -12.433 -1.505 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.277 -8.223 -2.042 1.00 0.00 H new ATOM 0 HH TYR A 67 5.453 -9.786 -3.516 1.00 0.00 H new ATOM 1038 N ASP A 68 4.823 -9.829 5.015 1.00 0.00 N ATOM 1039 CA ASP A 68 4.865 -9.334 6.383 1.00 0.00 C ATOM 1040 C ASP A 68 3.943 -8.130 6.534 1.00 0.00 C ATOM 1041 O ASP A 68 4.405 -6.998 6.685 1.00 0.00 O ATOM 1042 CB ASP A 68 6.297 -8.956 6.771 1.00 0.00 C ATOM 1043 CG ASP A 68 7.237 -10.144 6.741 1.00 0.00 C ATOM 1044 OD1 ASP A 68 6.760 -11.284 6.928 1.00 0.00 O ATOM 1045 OD2 ASP A 68 8.451 -9.936 6.532 1.00 0.00 O ATOM 0 H ASP A 68 5.589 -9.506 4.425 1.00 0.00 H new ATOM 0 HA ASP A 68 4.523 -10.125 7.050 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.664 -8.188 6.090 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.297 -8.522 7.771 1.00 0.00 H new ATOM 1050 N LYS A 69 2.635 -8.385 6.479 1.00 0.00 N ATOM 1051 CA LYS A 69 1.621 -7.332 6.595 1.00 0.00 C ATOM 1052 C LYS A 69 2.044 -6.241 7.575 1.00 0.00 C ATOM 1053 O LYS A 69 1.929 -5.050 7.281 1.00 0.00 O ATOM 1054 CB LYS A 69 0.288 -7.937 7.039 1.00 0.00 C ATOM 1055 CG LYS A 69 -0.890 -6.986 6.895 1.00 0.00 C ATOM 1056 CD LYS A 69 -2.215 -7.730 6.941 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.385 -8.491 8.246 1.00 0.00 C ATOM 1058 NZ LYS A 69 -3.783 -8.966 8.437 1.00 0.00 N ATOM 0 H LYS A 69 2.249 -9.321 6.354 1.00 0.00 H new ATOM 0 HA LYS A 69 1.509 -6.873 5.613 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.093 -8.835 6.453 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.368 -8.247 8.081 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.860 -6.244 7.693 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.808 -6.444 5.953 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.035 -7.022 6.823 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.272 -8.425 6.104 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.707 -9.345 8.259 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.104 -7.848 9.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.855 -9.480 9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.428 -8.150 8.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.044 -9.600 7.655 1.00 0.00 H new ATOM 1072 N LYS A 70 2.538 -6.654 8.738 1.00 0.00 N ATOM 1073 CA LYS A 70 2.981 -5.710 9.757 1.00 0.00 C ATOM 1074 C LYS A 70 4.032 -4.758 9.196 1.00 0.00 C ATOM 1075 O LYS A 70 3.879 -3.539 9.266 1.00 0.00 O ATOM 1076 CB LYS A 70 3.547 -6.455 10.967 1.00 0.00 C ATOM 1077 CG LYS A 70 2.642 -7.560 11.487 1.00 0.00 C ATOM 1078 CD LYS A 70 1.239 -7.047 11.775 1.00 0.00 C ATOM 1079 CE LYS A 70 0.383 -8.107 12.450 1.00 0.00 C ATOM 1080 NZ LYS A 70 0.137 -7.792 13.884 1.00 0.00 N ATOM 0 H LYS A 70 2.641 -7.635 8.998 1.00 0.00 H new ATOM 0 HA LYS A 70 2.116 -5.126 10.073 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.512 -6.885 10.698 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.729 -5.740 11.769 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.592 -8.365 10.754 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.069 -7.983 12.396 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.297 -6.165 12.413 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.766 -6.736 10.843 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.570 -8.190 11.928 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.876 -9.076 12.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.450 -8.539 14.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.045 -7.738 14.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.356 -6.879 13.959 1.00 0.00 H new ATOM 1094 N LYS A 71 5.098 -5.322 8.637 1.00 0.00 N ATOM 1095 CA LYS A 71 6.176 -4.522 8.062 1.00 0.00 C ATOM 1096 C LYS A 71 5.840 -4.073 6.638 1.00 0.00 C ATOM 1097 O LYS A 71 6.599 -3.326 6.022 1.00 0.00 O ATOM 1098 CB LYS A 71 7.483 -5.318 8.066 1.00 0.00 C ATOM 1099 CG LYS A 71 8.666 -4.541 8.619 1.00 0.00 C ATOM 1100 CD LYS A 71 8.605 -4.440 10.135 1.00 0.00 C ATOM 1101 CE LYS A 71 9.480 -5.490 10.798 1.00 0.00 C ATOM 1102 NZ LYS A 71 8.999 -5.833 12.166 1.00 0.00 N ATOM 0 H LYS A 71 5.239 -6.330 8.570 1.00 0.00 H new ATOM 0 HA LYS A 71 6.295 -3.630 8.677 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.345 -6.224 8.657 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.710 -5.633 7.048 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.594 -5.029 8.323 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.680 -3.541 8.187 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.926 -3.447 10.448 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.574 -4.561 10.468 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.496 -6.390 10.183 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.505 -5.124 10.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.623 -6.553 12.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.008 -4.980 12.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.030 -6.206 12.110 1.00 0.00 H new ATOM 1116 N LEU A 72 4.704 -4.531 6.120 1.00 0.00 N ATOM 1117 CA LEU A 72 4.279 -4.171 4.771 1.00 0.00 C ATOM 1118 C LEU A 72 3.828 -2.715 4.718 1.00 0.00 C ATOM 1119 O LEU A 72 4.438 -1.891 4.037 1.00 0.00 O ATOM 1120 CB LEU A 72 3.143 -5.093 4.313 1.00 0.00 C ATOM 1121 CG LEU A 72 2.943 -5.183 2.797 1.00 0.00 C ATOM 1122 CD1 LEU A 72 1.794 -6.125 2.465 1.00 0.00 C ATOM 1123 CD2 LEU A 72 2.688 -3.802 2.213 1.00 0.00 C ATOM 0 H LEU A 72 4.062 -5.151 6.613 1.00 0.00 H new ATOM 0 HA LEU A 72 5.128 -4.292 4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.333 -6.095 4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.213 -4.749 4.766 1.00 0.00 H new ATOM 0 HG LEU A 72 3.854 -5.583 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.667 -6.176 1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.015 -7.120 2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.876 -5.754 2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.548 -3.883 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.792 -3.376 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.541 -3.156 2.420 1.00 0.00 H new ATOM 1135 N VAL A 73 2.756 -2.404 5.437 1.00 0.00 N ATOM 1136 CA VAL A 73 2.222 -1.047 5.465 1.00 0.00 C ATOM 1137 C VAL A 73 2.972 -0.169 6.466 1.00 0.00 C ATOM 1138 O VAL A 73 3.174 1.022 6.228 1.00 0.00 O ATOM 1139 CB VAL A 73 0.720 -1.050 5.813 1.00 0.00 C ATOM 1140 CG1 VAL A 73 0.498 -1.465 7.261 1.00 0.00 C ATOM 1141 CG2 VAL A 73 0.103 0.312 5.537 1.00 0.00 C ATOM 0 H VAL A 73 2.239 -3.073 6.008 1.00 0.00 H new ATOM 0 HA VAL A 73 2.358 -0.632 4.466 1.00 0.00 H new ATOM 0 HB VAL A 73 0.225 -1.783 5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.569 -1.459 7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.895 -2.468 7.417 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.009 -0.765 7.922 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.957 0.289 5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.604 1.068 6.142 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.220 0.557 4.481 1.00 0.00 H new ATOM 1151 N LYS A 74 3.380 -0.760 7.585 1.00 0.00 N ATOM 1152 CA LYS A 74 4.107 -0.025 8.616 1.00 0.00 C ATOM 1153 C LYS A 74 5.314 0.694 8.023 1.00 0.00 C ATOM 1154 O LYS A 74 5.577 1.853 8.341 1.00 0.00 O ATOM 1155 CB LYS A 74 4.561 -0.973 9.726 1.00 0.00 C ATOM 1156 CG LYS A 74 5.276 -0.272 10.872 1.00 0.00 C ATOM 1157 CD LYS A 74 4.524 -0.433 12.183 1.00 0.00 C ATOM 1158 CE LYS A 74 5.206 0.324 13.311 1.00 0.00 C ATOM 1159 NZ LYS A 74 4.236 0.755 14.357 1.00 0.00 N ATOM 0 H LYS A 74 3.220 -1.744 7.801 1.00 0.00 H new ATOM 0 HA LYS A 74 3.432 0.720 9.038 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.692 -1.501 10.120 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.225 -1.725 9.301 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.282 -0.678 10.977 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.383 0.788 10.641 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.503 -0.071 12.065 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.459 -1.490 12.440 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.970 -0.309 13.763 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.715 1.198 12.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.740 1.268 15.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.521 1.379 13.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.768 -0.081 14.762 1.00 0.00 H new ATOM 1173 N ALA A 75 6.042 -0.004 7.159 1.00 0.00 N ATOM 1174 CA ALA A 75 7.219 0.567 6.520 1.00 0.00 C ATOM 1175 C ALA A 75 6.837 1.740 5.625 1.00 0.00 C ATOM 1176 O ALA A 75 7.606 2.688 5.467 1.00 0.00 O ATOM 1177 CB ALA A 75 7.953 -0.497 5.717 1.00 0.00 C ATOM 0 H ALA A 75 5.837 -0.965 6.886 1.00 0.00 H new ATOM 0 HA ALA A 75 7.884 0.938 7.300 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.831 -0.056 5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.265 -1.303 6.381 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.290 -0.895 4.949 1.00 0.00 H new ATOM 1183 N PHE A 76 5.641 1.673 5.044 1.00 0.00 N ATOM 1184 CA PHE A 76 5.161 2.736 4.170 1.00 0.00 C ATOM 1185 C PHE A 76 5.093 4.060 4.925 1.00 0.00 C ATOM 1186 O PHE A 76 5.482 5.106 4.405 1.00 0.00 O ATOM 1187 CB PHE A 76 3.784 2.388 3.602 1.00 0.00 C ATOM 1188 CG PHE A 76 3.502 3.064 2.291 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.860 2.462 1.095 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.889 4.306 2.255 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.612 3.085 -0.111 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.637 4.934 1.050 1.00 0.00 C ATOM 1193 CZ PHE A 76 3.001 4.323 -0.134 1.00 0.00 C ATOM 0 H PHE A 76 4.990 0.896 5.163 1.00 0.00 H new ATOM 0 HA PHE A 76 5.864 2.838 3.344 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.714 1.308 3.470 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.017 2.672 4.323 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.339 1.494 1.107 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.605 4.789 3.179 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.895 2.605 -1.036 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.156 5.901 1.034 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.808 4.813 -1.077 1.00 0.00 H new ATOM 1203 N LYS A 77 4.598 4.005 6.158 1.00 0.00 N ATOM 1204 CA LYS A 77 4.482 5.198 6.991 1.00 0.00 C ATOM 1205 C LYS A 77 5.851 5.662 7.488 1.00 0.00 C ATOM 1206 O LYS A 77 5.975 6.739 8.070 1.00 0.00 O ATOM 1207 CB LYS A 77 3.563 4.926 8.181 1.00 0.00 C ATOM 1208 CG LYS A 77 2.193 4.397 7.783 1.00 0.00 C ATOM 1209 CD LYS A 77 1.999 2.955 8.227 1.00 0.00 C ATOM 1210 CE LYS A 77 1.440 2.877 9.638 1.00 0.00 C ATOM 1211 NZ LYS A 77 2.505 2.611 10.644 1.00 0.00 N ATOM 0 H LYS A 77 4.271 3.147 6.603 1.00 0.00 H new ATOM 0 HA LYS A 77 4.053 5.992 6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.043 4.206 8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.437 5.847 8.750 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.418 5.022 8.226 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.077 4.464 6.701 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.323 2.449 7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.952 2.428 8.183 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.937 3.813 9.881 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.689 2.089 9.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.394 1.648 11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.438 2.701 10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.428 3.298 11.421 1.00 0.00 H new ATOM 1225 N LYS A 78 6.876 4.847 7.257 1.00 0.00 N ATOM 1226 CA LYS A 78 8.229 5.183 7.682 1.00 0.00 C ATOM 1227 C LYS A 78 9.077 5.644 6.499 1.00 0.00 C ATOM 1228 O LYS A 78 10.107 6.293 6.677 1.00 0.00 O ATOM 1229 CB LYS A 78 8.888 3.977 8.352 1.00 0.00 C ATOM 1230 CG LYS A 78 10.133 4.328 9.151 1.00 0.00 C ATOM 1231 CD LYS A 78 10.822 3.082 9.687 1.00 0.00 C ATOM 1232 CE LYS A 78 12.098 2.774 8.919 1.00 0.00 C ATOM 1233 NZ LYS A 78 11.829 1.968 7.697 1.00 0.00 N ATOM 0 H LYS A 78 6.795 3.950 6.778 1.00 0.00 H new ATOM 0 HA LYS A 78 8.163 6.002 8.399 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.165 3.500 9.013 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.152 3.246 7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.826 4.885 8.521 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.862 4.980 9.981 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.056 3.221 10.742 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.142 2.232 9.620 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.587 3.707 8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.789 2.234 9.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.724 1.779 7.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.385 1.067 7.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.189 2.494 7.068 1.00 0.00 H new ATOM 1247 N LYS A 79 8.641 5.298 5.290 1.00 0.00 N ATOM 1248 CA LYS A 79 9.365 5.669 4.080 1.00 0.00 C ATOM 1249 C LYS A 79 8.780 6.929 3.447 1.00 0.00 C ATOM 1250 O LYS A 79 9.517 7.811 3.006 1.00 0.00 O ATOM 1251 CB LYS A 79 9.331 4.519 3.072 1.00 0.00 C ATOM 1252 CG LYS A 79 10.513 4.512 2.116 1.00 0.00 C ATOM 1253 CD LYS A 79 10.060 4.551 0.665 1.00 0.00 C ATOM 1254 CE LYS A 79 11.242 4.627 -0.286 1.00 0.00 C ATOM 1255 NZ LYS A 79 11.639 6.035 -0.567 1.00 0.00 N ATOM 0 H LYS A 79 7.790 4.761 5.124 1.00 0.00 H new ATOM 0 HA LYS A 79 10.398 5.876 4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.307 3.573 3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.408 4.580 2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.153 5.370 2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.114 3.619 2.286 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.470 3.662 0.443 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.410 5.412 0.509 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.088 4.090 0.143 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.988 4.128 -1.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.449 6.044 -1.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.840 6.541 -1.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.906 6.504 0.322 1.00 0.00 H new ATOM 1269 N PHE A 80 7.454 7.005 3.396 1.00 0.00 N ATOM 1270 CA PHE A 80 6.777 8.155 2.804 1.00 0.00 C ATOM 1271 C PHE A 80 6.039 8.978 3.859 1.00 0.00 C ATOM 1272 O PHE A 80 5.653 10.119 3.605 1.00 0.00 O ATOM 1273 CB PHE A 80 5.791 7.696 1.727 1.00 0.00 C ATOM 1274 CG PHE A 80 6.306 6.569 0.878 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.148 5.253 1.281 1.00 0.00 C ATOM 1276 CD2 PHE A 80 6.946 6.827 -0.323 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.618 4.213 0.503 1.00 0.00 C ATOM 1278 CE2 PHE A 80 7.420 5.792 -1.107 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.255 4.484 -0.694 1.00 0.00 C ATOM 0 H PHE A 80 6.827 6.286 3.757 1.00 0.00 H new ATOM 0 HA PHE A 80 7.541 8.787 2.352 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.863 7.384 2.206 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.549 8.542 1.084 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.651 5.038 2.215 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.076 7.848 -0.650 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.488 3.191 0.829 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.919 6.005 -2.041 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.623 3.674 -1.306 1.00 0.00 H new ATOM 1289 N ALA A 81 5.839 8.396 5.038 1.00 0.00 N ATOM 1290 CA ALA A 81 5.138 9.084 6.118 1.00 0.00 C ATOM 1291 C ALA A 81 3.667 9.277 5.772 1.00 0.00 C ATOM 1292 O ALA A 81 3.072 10.308 6.089 1.00 0.00 O ATOM 1293 CB ALA A 81 5.796 10.426 6.412 1.00 0.00 C ATOM 0 H ALA A 81 6.151 7.453 5.270 1.00 0.00 H new ATOM 0 HA ALA A 81 5.200 8.464 7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.260 10.925 7.220 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.832 10.266 6.709 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.767 11.049 5.518 1.00 0.00 H new ATOM 1299 N CYS A 82 3.085 8.278 5.116 1.00 0.00 N ATOM 1300 CA CYS A 82 1.682 8.333 4.724 1.00 0.00 C ATOM 1301 C CYS A 82 0.844 7.374 5.562 1.00 0.00 C ATOM 1302 O CYS A 82 1.381 6.541 6.293 1.00 0.00 O ATOM 1303 CB CYS A 82 1.533 7.994 3.240 1.00 0.00 C ATOM 1304 SG CYS A 82 1.708 9.416 2.137 1.00 0.00 S ATOM 0 H CYS A 82 3.565 7.420 4.845 1.00 0.00 H new ATOM 0 HA CYS A 82 1.322 9.347 4.897 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.279 7.246 2.972 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.555 7.540 3.078 1.00 0.00 H new ATOM 0 HG CYS A 82 1.974 9.002 0.934 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.474 7.496 5.452 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.385 6.639 6.199 1.00 0.00 C ATOM 1312 C ASN A 83 -1.759 5.408 5.384 1.00 0.00 C ATOM 1313 O ASN A 83 -2.471 5.504 4.385 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.646 7.415 6.586 1.00 0.00 C ATOM 1315 CG ASN A 83 -2.472 8.181 7.881 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -2.740 9.381 7.947 1.00 0.00 O ATOM 1317 ND2 ASN A 83 -2.020 7.489 8.920 1.00 0.00 N ATOM 0 H ASN A 83 -0.935 8.180 4.852 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.878 6.311 7.107 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.902 8.110 5.786 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.481 6.722 6.686 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -1.882 7.951 9.819 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.811 6.496 8.819 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.271 4.250 5.816 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.562 3.015 5.114 1.00 0.00 C ATOM 1326 C GLY A 84 -2.352 2.035 5.956 1.00 0.00 C ATOM 1327 O GLY A 84 -2.097 1.887 7.152 1.00 0.00 O ATOM 0 H GLY A 84 -0.679 4.145 6.640 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -2.122 3.241 4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.627 2.549 4.804 1.00 0.00 H new ATOM 1331 N THR A 85 -3.313 1.363 5.330 1.00 0.00 N ATOM 1332 CA THR A 85 -4.146 0.390 6.030 1.00 0.00 C ATOM 1333 C THR A 85 -4.307 -0.883 5.204 1.00 0.00 C ATOM 1334 O THR A 85 -3.949 -0.920 4.029 1.00 0.00 O ATOM 1335 CB THR A 85 -5.519 0.988 6.335 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.265 1.167 5.144 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.447 2.329 7.035 1.00 0.00 C ATOM 0 H THR A 85 -3.534 1.474 4.341 1.00 0.00 H new ATOM 0 HA THR A 85 -3.652 0.135 6.967 1.00 0.00 H new ATOM 0 HB THR A 85 -6.002 0.273 7.001 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.141 1.549 5.361 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.456 2.697 7.222 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.921 2.217 7.983 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.913 3.040 6.405 1.00 0.00 H new ATOM 1345 N VAL A 86 -4.846 -1.926 5.828 1.00 0.00 N ATOM 1346 CA VAL A 86 -5.054 -3.200 5.148 1.00 0.00 C ATOM 1347 C VAL A 86 -6.539 -3.555 5.094 1.00 0.00 C ATOM 1348 O VAL A 86 -7.182 -3.726 6.130 1.00 0.00 O ATOM 1349 CB VAL A 86 -4.285 -4.338 5.846 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -4.801 -4.550 7.262 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -4.379 -5.623 5.037 1.00 0.00 C ATOM 0 H VAL A 86 -5.146 -1.914 6.803 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.674 -3.088 4.132 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.235 -4.052 5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.243 -5.358 7.735 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.671 -3.634 7.838 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.859 -4.810 7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.830 -6.415 5.546 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.425 -5.914 4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.950 -5.462 4.048 1.00 0.00 H new ATOM 1361 N ILE A 87 -7.077 -3.662 3.883 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.487 -3.995 3.701 1.00 0.00 C ATOM 1363 C ILE A 87 -8.656 -5.222 2.813 1.00 0.00 C ATOM 1364 O ILE A 87 -7.858 -5.461 1.908 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.267 -2.822 3.076 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.568 -2.334 1.806 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -9.417 -1.687 4.077 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -9.277 -1.179 1.132 1.00 0.00 C ATOM 0 H ILE A 87 -6.560 -3.523 3.015 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.887 -4.206 4.693 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.263 -3.173 2.807 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.551 -2.030 2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.490 -3.163 1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.970 -0.868 3.618 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.958 -2.044 4.953 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.430 -1.335 4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.726 -0.885 0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.285 -1.484 0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.331 -0.335 1.819 1.00 0.00 H new ATOM 1380 N GLU A 88 -9.706 -5.994 3.073 1.00 0.00 N ATOM 1381 CA GLU A 88 -9.986 -7.189 2.292 1.00 0.00 C ATOM 1382 C GLU A 88 -11.118 -6.933 1.303 1.00 0.00 C ATOM 1383 O GLU A 88 -12.245 -7.389 1.498 1.00 0.00 O ATOM 1384 CB GLU A 88 -10.349 -8.356 3.209 1.00 0.00 C ATOM 1385 CG GLU A 88 -10.126 -9.715 2.569 1.00 0.00 C ATOM 1386 CD GLU A 88 -10.682 -10.852 3.403 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -10.369 -10.909 4.611 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -11.431 -11.685 2.850 1.00 0.00 O ATOM 0 H GLU A 88 -10.376 -5.811 3.820 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.086 -7.447 1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.756 -8.290 4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.395 -8.267 3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.593 -9.730 1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.058 -9.870 2.417 1.00 0.00 H new ATOM 1395 N HIS A 89 -10.809 -6.195 0.245 1.00 0.00 N ATOM 1396 CA HIS A 89 -11.795 -5.869 -0.777 1.00 0.00 C ATOM 1397 C HIS A 89 -12.356 -7.136 -1.421 1.00 0.00 C ATOM 1398 O HIS A 89 -11.614 -8.073 -1.711 1.00 0.00 O ATOM 1399 CB HIS A 89 -11.165 -4.977 -1.845 1.00 0.00 C ATOM 1400 CG HIS A 89 -12.124 -4.004 -2.455 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.662 -4.167 -3.714 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -12.645 -2.851 -1.972 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -13.471 -3.158 -3.981 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -13.479 -2.346 -2.938 1.00 0.00 N ATOM 0 H HIS A 89 -9.881 -5.810 0.072 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.617 -5.335 -0.300 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.334 -4.427 -1.403 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.748 -5.606 -2.632 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.442 -2.411 -1.007 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -14.030 -3.020 -4.895 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -14.018 -1.483 -2.863 1.00 0.00 H new ATOM 1413 N PRO A 90 -13.680 -7.182 -1.658 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.331 -8.339 -2.273 1.00 0.00 C ATOM 1415 C PRO A 90 -14.158 -8.362 -3.790 1.00 0.00 C ATOM 1416 O PRO A 90 -14.305 -9.406 -4.425 1.00 0.00 O ATOM 1417 CB PRO A 90 -15.799 -8.138 -1.906 1.00 0.00 C ATOM 1418 CG PRO A 90 -15.965 -6.660 -1.830 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.646 -6.108 -1.347 1.00 0.00 C ATOM 0 HA PRO A 90 -13.911 -9.283 -1.927 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -16.459 -8.574 -2.656 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.039 -8.614 -0.955 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.225 -6.248 -2.805 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.771 -6.394 -1.146 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.390 -5.179 -1.857 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.671 -5.889 -0.280 1.00 0.00 H new ATOM 1427 N GLU A 91 -13.845 -7.204 -4.361 1.00 0.00 N ATOM 1428 CA GLU A 91 -13.652 -7.084 -5.801 1.00 0.00 C ATOM 1429 C GLU A 91 -12.266 -7.577 -6.211 1.00 0.00 C ATOM 1430 O GLU A 91 -12.049 -7.961 -7.361 1.00 0.00 O ATOM 1431 CB GLU A 91 -13.841 -5.630 -6.237 1.00 0.00 C ATOM 1432 CG GLU A 91 -14.802 -5.460 -7.400 1.00 0.00 C ATOM 1433 CD GLU A 91 -14.129 -5.651 -8.745 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -13.538 -6.730 -8.965 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -14.192 -4.723 -9.578 1.00 0.00 O ATOM 0 H GLU A 91 -13.719 -6.332 -3.846 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.396 -7.707 -6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.205 -5.050 -5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.872 -5.215 -6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.617 -6.177 -7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.245 -4.465 -7.358 1.00 0.00 H new ATOM 1442 N TYR A 92 -11.329 -7.557 -5.266 1.00 0.00 N ATOM 1443 CA TYR A 92 -9.963 -7.996 -5.534 1.00 0.00 C ATOM 1444 C TYR A 92 -9.543 -9.095 -4.564 1.00 0.00 C ATOM 1445 O TYR A 92 -9.049 -10.146 -4.975 1.00 0.00 O ATOM 1446 CB TYR A 92 -8.995 -6.813 -5.436 1.00 0.00 C ATOM 1447 CG TYR A 92 -9.614 -5.489 -5.830 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -10.298 -5.352 -7.030 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.517 -4.380 -4.998 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -10.868 -4.147 -7.393 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -10.086 -3.172 -5.353 1.00 0.00 C ATOM 1452 CZ TYR A 92 -10.760 -3.060 -6.551 1.00 0.00 C ATOM 1453 OH TYR A 92 -11.328 -1.859 -6.908 1.00 0.00 O ATOM 0 H TYR A 92 -11.491 -7.242 -4.309 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.930 -8.400 -6.546 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.624 -6.741 -4.413 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.133 -7.006 -6.075 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.386 -6.202 -7.691 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.989 -4.464 -4.060 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.395 -4.057 -8.331 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.003 -2.319 -4.695 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.162 -1.197 -6.205 1.00 0.00 H new ATOM 1463 N GLY A 93 -9.745 -8.847 -3.274 1.00 0.00 N ATOM 1464 CA GLY A 93 -9.384 -9.827 -2.265 1.00 0.00 C ATOM 1465 C GLY A 93 -8.083 -9.492 -1.564 1.00 0.00 C ATOM 1466 O GLY A 93 -7.004 -9.633 -2.140 1.00 0.00 O ATOM 0 H GLY A 93 -10.152 -7.986 -2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.183 -9.894 -1.527 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.298 -10.808 -2.732 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.185 -9.047 -0.315 1.00 0.00 N ATOM 1471 CA GLU A 94 -7.008 -8.692 0.473 1.00 0.00 C ATOM 1472 C GLU A 94 -6.150 -7.659 -0.251 1.00 0.00 C ATOM 1473 O GLU A 94 -5.178 -8.006 -0.920 1.00 0.00 O ATOM 1474 CB GLU A 94 -6.176 -9.938 0.775 1.00 0.00 C ATOM 1475 CG GLU A 94 -5.506 -9.904 2.140 1.00 0.00 C ATOM 1476 CD GLU A 94 -4.008 -9.685 2.048 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -3.396 -10.166 1.072 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -3.447 -9.032 2.954 1.00 0.00 O ATOM 0 H GLU A 94 -9.072 -8.923 0.174 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.353 -8.255 1.410 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.818 -10.817 0.716 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.411 -10.050 0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.950 -9.109 2.739 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.701 -10.842 2.660 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.515 -6.389 -0.109 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.774 -5.308 -0.747 1.00 0.00 C ATOM 1487 C VAL A 95 -5.477 -4.188 0.245 1.00 0.00 C ATOM 1488 O VAL A 95 -6.365 -3.727 0.960 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.544 -4.726 -1.949 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.813 -5.807 -2.985 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.845 -4.079 -1.496 1.00 0.00 C ATOM 0 H VAL A 95 -7.318 -6.084 0.441 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.836 -5.735 -1.103 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.926 -3.956 -2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.357 -5.378 -3.826 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.866 -6.217 -3.337 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.408 -6.602 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.371 -3.675 -2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.471 -4.825 -1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.626 -3.273 -0.796 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.224 -3.749 0.279 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.819 -2.677 1.178 1.00 0.00 C ATOM 1503 C ILE A 96 -4.418 -1.353 0.717 1.00 0.00 C ATOM 1504 O ILE A 96 -4.783 -1.204 -0.447 1.00 0.00 O ATOM 1505 CB ILE A 96 -2.275 -2.577 1.264 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.743 -3.645 2.233 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.821 -1.180 1.684 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.371 -3.117 3.603 1.00 0.00 C ATOM 0 H ILE A 96 -3.473 -4.118 -0.304 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.195 -2.904 2.176 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.863 -2.758 0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.499 -4.422 2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.867 -4.117 1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.732 -1.151 1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.171 -0.449 0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.235 -0.942 2.664 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.006 -3.937 4.222 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.591 -2.362 3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.248 -2.672 4.072 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.531 -0.399 1.636 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.101 0.902 1.311 1.00 0.00 C ATOM 1522 C GLN A 97 -4.236 2.038 1.849 1.00 0.00 C ATOM 1523 O GLN A 97 -4.228 2.311 3.050 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.518 1.017 1.875 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.515 1.626 0.902 1.00 0.00 C ATOM 1526 CD GLN A 97 -8.637 2.364 1.606 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -8.649 2.476 2.832 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -9.588 2.872 0.830 1.00 0.00 N ATOM 0 H GLN A 97 -4.237 -0.502 2.607 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.137 0.986 0.225 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.866 0.025 2.165 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.491 1.623 2.781 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -6.994 2.314 0.236 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.938 0.838 0.279 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.537 2.755 -0.182 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.369 3.379 1.246 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.523 2.704 0.951 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.668 3.821 1.325 1.00 0.00 C ATOM 1539 C LEU A 98 -3.436 5.129 1.214 1.00 0.00 C ATOM 1540 O LEU A 98 -4.421 5.216 0.483 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.432 3.871 0.432 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.576 2.606 0.444 1.00 0.00 C ATOM 1543 CD1 LEU A 98 0.166 2.452 -0.875 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.399 2.641 1.612 1.00 0.00 C ATOM 0 H LEU A 98 -3.520 2.488 -0.046 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.350 3.679 2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.750 4.067 -0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.813 4.714 0.741 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.230 1.743 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.771 1.546 -0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.553 2.385 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.813 3.315 -1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.003 1.734 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.050 3.510 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.156 2.704 2.548 1.00 0.00 H new ATOM 1556 N GLN A 99 -2.986 6.143 1.940 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.642 7.445 1.913 1.00 0.00 C ATOM 1558 C GLN A 99 -2.946 8.382 0.931 1.00 0.00 C ATOM 1559 O GLN A 99 -1.721 8.373 0.812 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.655 8.064 3.312 1.00 0.00 C ATOM 1561 CG GLN A 99 -4.921 7.763 4.098 1.00 0.00 C ATOM 1562 CD GLN A 99 -5.838 8.965 4.209 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -6.067 9.487 5.299 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -6.370 9.409 3.076 1.00 0.00 N ATOM 0 H GLN A 99 -2.172 6.091 2.553 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.670 7.301 1.582 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.794 7.697 3.871 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.540 9.144 3.223 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.457 6.945 3.617 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.651 7.423 5.098 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.152 8.945 2.194 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.996 10.214 3.088 1.00 0.00 H new ATOM 1573 N GLY A 100 -3.738 9.183 0.227 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.180 10.109 -0.740 1.00 0.00 C ATOM 1575 C GLY A 100 -2.839 9.428 -2.051 1.00 0.00 C ATOM 1576 O GLY A 100 -2.962 8.210 -2.171 1.00 0.00 O ATOM 0 H GLY A 100 -4.754 9.208 0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.893 10.913 -0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.282 10.568 -0.326 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.409 10.210 -3.033 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.048 9.661 -4.335 1.00 0.00 C ATOM 1582 C ASP A 101 -0.670 9.011 -4.284 1.00 0.00 C ATOM 1583 O ASP A 101 0.343 9.649 -4.573 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.077 10.753 -5.406 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.255 11.966 -5.017 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -1.774 12.821 -4.269 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -0.092 12.063 -5.463 1.00 0.00 O ATOM 0 H ASP A 101 -2.302 11.221 -2.954 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.781 8.897 -4.595 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.700 10.348 -6.345 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.109 11.058 -5.582 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.641 7.736 -3.911 1.00 0.00 N ATOM 1593 CA GLN A 102 0.605 6.988 -3.815 1.00 0.00 C ATOM 1594 C GLN A 102 0.788 6.070 -5.021 1.00 0.00 C ATOM 1595 O GLN A 102 1.645 5.189 -5.012 1.00 0.00 O ATOM 1596 CB GLN A 102 0.621 6.160 -2.527 1.00 0.00 C ATOM 1597 CG GLN A 102 1.354 6.827 -1.373 1.00 0.00 C ATOM 1598 CD GLN A 102 1.048 8.309 -1.255 1.00 0.00 C ATOM 1599 OE1 GLN A 102 1.943 9.122 -1.021 1.00 0.00 O ATOM 1600 NE2 GLN A 102 -0.219 8.665 -1.416 1.00 0.00 N ATOM 0 H GLN A 102 -1.473 7.197 -3.669 1.00 0.00 H new ATOM 0 HA GLN A 102 1.429 7.702 -3.798 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.406 5.959 -2.224 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.088 5.196 -2.732 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.083 6.330 -0.442 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.428 6.692 -1.505 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.927 7.957 -1.609 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.485 9.647 -1.347 1.00 0.00 H new ATOM 1609 N ARG A 103 -0.021 6.280 -6.056 1.00 0.00 N ATOM 1610 CA ARG A 103 0.058 5.468 -7.265 1.00 0.00 C ATOM 1611 C ARG A 103 1.487 5.420 -7.801 1.00 0.00 C ATOM 1612 O ARG A 103 1.872 4.474 -8.487 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.884 6.021 -8.335 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.560 7.445 -8.755 1.00 0.00 C ATOM 1615 CD ARG A 103 -1.253 7.813 -10.057 1.00 0.00 C ATOM 1616 NE ARG A 103 -1.679 9.209 -10.076 1.00 0.00 N ATOM 1617 CZ ARG A 103 -0.855 10.233 -10.285 1.00 0.00 C ATOM 1618 NH1 ARG A 103 0.439 10.021 -10.490 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -1.325 11.473 -10.290 1.00 0.00 N ATOM 0 H ARG A 103 -0.738 7.005 -6.081 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.246 4.453 -7.011 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.844 5.375 -9.212 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.907 5.986 -7.960 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.868 8.136 -7.970 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.518 7.555 -8.872 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -0.577 7.629 -10.892 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.120 7.168 -10.201 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.666 9.412 -9.920 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.807 9.070 -10.488 1.00 0.00 H new ATOM 0 HH12 ARG A 103 1.066 10.810 -10.650 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -2.319 11.642 -10.134 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -0.693 12.257 -10.450 1.00 0.00 H new ATOM 1633 N LYS A 104 2.268 6.447 -7.478 1.00 0.00 N ATOM 1634 CA LYS A 104 3.655 6.522 -7.922 1.00 0.00 C ATOM 1635 C LYS A 104 4.614 6.176 -6.785 1.00 0.00 C ATOM 1636 O LYS A 104 5.767 5.818 -7.024 1.00 0.00 O ATOM 1637 CB LYS A 104 3.963 7.925 -8.451 1.00 0.00 C ATOM 1638 CG LYS A 104 5.379 8.079 -8.983 1.00 0.00 C ATOM 1639 CD LYS A 104 6.183 9.071 -8.159 1.00 0.00 C ATOM 1640 CE LYS A 104 5.652 10.488 -8.316 1.00 0.00 C ATOM 1641 NZ LYS A 104 6.536 11.321 -9.178 1.00 0.00 N ATOM 0 H LYS A 104 1.963 7.238 -6.911 1.00 0.00 H new ATOM 0 HA LYS A 104 3.794 5.795 -8.722 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.257 8.167 -9.245 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.804 8.649 -7.651 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.878 7.110 -8.975 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.344 8.411 -10.021 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.150 8.784 -7.108 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.228 9.037 -8.466 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.651 10.455 -8.747 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.561 10.952 -7.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.139 12.279 -9.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.484 11.374 -8.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.603 10.892 -10.123 1.00 0.00 H new ATOM 1655 N ASN A 105 4.134 6.287 -5.548 1.00 0.00 N ATOM 1656 CA ASN A 105 4.958 5.987 -4.380 1.00 0.00 C ATOM 1657 C ASN A 105 4.878 4.508 -4.012 1.00 0.00 C ATOM 1658 O ASN A 105 5.856 3.923 -3.545 1.00 0.00 O ATOM 1659 CB ASN A 105 4.519 6.840 -3.187 1.00 0.00 C ATOM 1660 CG ASN A 105 5.144 8.221 -3.202 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.348 8.374 -2.997 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.324 9.239 -3.444 1.00 0.00 N ATOM 0 H ASN A 105 3.182 6.581 -5.329 1.00 0.00 H new ATOM 0 HA ASN A 105 5.992 6.223 -4.633 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.433 6.936 -3.192 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.790 6.332 -2.261 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.687 10.192 -3.465 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.332 9.067 -3.609 1.00 0.00 H new ATOM 1669 N ILE A 106 3.710 3.912 -4.216 1.00 0.00 N ATOM 1670 CA ILE A 106 3.510 2.505 -3.896 1.00 0.00 C ATOM 1671 C ILE A 106 4.379 1.607 -4.772 1.00 0.00 C ATOM 1672 O ILE A 106 5.094 0.744 -4.266 1.00 0.00 O ATOM 1673 CB ILE A 106 2.033 2.097 -4.035 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.828 0.670 -3.527 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.573 2.227 -5.479 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.290 0.465 -2.098 1.00 0.00 C ATOM 0 H ILE A 106 2.889 4.380 -4.601 1.00 0.00 H new ATOM 0 HA ILE A 106 3.808 2.373 -2.856 1.00 0.00 H new ATOM 0 HB ILE A 106 1.429 2.770 -3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.771 0.416 -3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.366 -0.020 -4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.526 1.934 -5.555 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.685 3.261 -5.805 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.178 1.579 -6.113 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.114 -0.570 -1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.354 0.688 -2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.734 1.130 -1.437 1.00 0.00 H new ATOM 1688 N CYS A 107 4.335 1.824 -6.086 1.00 0.00 N ATOM 1689 CA CYS A 107 5.146 1.035 -7.008 1.00 0.00 C ATOM 1690 C CYS A 107 6.605 1.087 -6.571 1.00 0.00 C ATOM 1691 O CYS A 107 7.353 0.119 -6.713 1.00 0.00 O ATOM 1692 CB CYS A 107 5.006 1.569 -8.435 1.00 0.00 C ATOM 1693 SG CYS A 107 5.160 3.365 -8.570 1.00 0.00 S ATOM 0 H CYS A 107 3.752 2.533 -6.531 1.00 0.00 H new ATOM 0 HA CYS A 107 4.799 0.002 -6.992 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.765 1.102 -9.062 1.00 0.00 H new ATOM 0 HB3 CYS A 107 4.036 1.268 -8.831 1.00 0.00 H new ATOM 0 HG CYS A 107 5.433 3.866 -7.402 1.00 0.00 H new ATOM 1699 N GLN A 108 6.983 2.230 -6.010 1.00 0.00 N ATOM 1700 CA GLN A 108 8.338 2.435 -5.514 1.00 0.00 C ATOM 1701 C GLN A 108 8.577 1.574 -4.285 1.00 0.00 C ATOM 1702 O GLN A 108 9.595 0.894 -4.172 1.00 0.00 O ATOM 1703 CB GLN A 108 8.550 3.906 -5.150 1.00 0.00 C ATOM 1704 CG GLN A 108 9.048 4.759 -6.301 1.00 0.00 C ATOM 1705 CD GLN A 108 10.560 4.895 -6.314 1.00 0.00 C ATOM 1706 OE1 GLN A 108 11.096 5.954 -6.637 1.00 0.00 O ATOM 1707 NE2 GLN A 108 11.255 3.818 -5.961 1.00 0.00 N ATOM 0 H GLN A 108 6.366 3.033 -5.887 1.00 0.00 H new ATOM 0 HA GLN A 108 9.041 2.153 -6.298 1.00 0.00 H new ATOM 0 HB2 GLN A 108 7.609 4.319 -4.785 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.265 3.968 -4.329 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.718 4.321 -7.243 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.598 5.750 -6.236 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.769 2.960 -5.700 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.274 3.850 -5.951 1.00 0.00 H new ATOM 1716 N PHE A 109 7.620 1.618 -3.367 1.00 0.00 N ATOM 1717 CA PHE A 109 7.696 0.855 -2.132 1.00 0.00 C ATOM 1718 C PHE A 109 7.805 -0.638 -2.413 1.00 0.00 C ATOM 1719 O PHE A 109 8.687 -1.315 -1.886 1.00 0.00 O ATOM 1720 CB PHE A 109 6.458 1.135 -1.282 1.00 0.00 C ATOM 1721 CG PHE A 109 6.509 0.516 0.082 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.412 0.969 1.029 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.647 -0.513 0.419 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.456 0.405 2.288 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.685 -1.080 1.676 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.590 -0.620 2.612 1.00 0.00 C ATOM 0 H PHE A 109 6.774 2.181 -3.458 1.00 0.00 H new ATOM 0 HA PHE A 109 8.591 1.163 -1.592 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.337 2.213 -1.177 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.577 0.765 -1.806 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.089 1.772 0.780 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.937 -0.876 -0.310 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.166 0.765 3.018 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.008 -1.883 1.928 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.620 -1.062 3.597 1.00 0.00 H new ATOM 1736 N LEU A 110 6.902 -1.143 -3.244 1.00 0.00 N ATOM 1737 CA LEU A 110 6.889 -2.557 -3.596 1.00 0.00 C ATOM 1738 C LEU A 110 8.236 -2.990 -4.162 1.00 0.00 C ATOM 1739 O LEU A 110 8.636 -4.146 -4.026 1.00 0.00 O ATOM 1740 CB LEU A 110 5.781 -2.835 -4.614 1.00 0.00 C ATOM 1741 CG LEU A 110 4.407 -3.152 -4.015 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.087 -2.207 -2.865 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.330 -3.069 -5.087 1.00 0.00 C ATOM 0 H LEU A 110 6.167 -0.592 -3.688 1.00 0.00 H new ATOM 0 HA LEU A 110 6.697 -3.132 -2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.683 -1.967 -5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.088 -3.672 -5.241 1.00 0.00 H new ATOM 0 HG LEU A 110 4.431 -4.169 -3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.107 -2.451 -2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.842 -2.313 -2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.083 -1.180 -3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.360 -3.297 -4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.311 -2.063 -5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.547 -3.788 -5.877 1.00 0.00 H new ATOM 1755 N VAL A 111 8.931 -2.053 -4.796 1.00 0.00 N ATOM 1756 CA VAL A 111 10.234 -2.336 -5.383 1.00 0.00 C ATOM 1757 C VAL A 111 11.365 -1.984 -4.418 1.00 0.00 C ATOM 1758 O VAL A 111 12.462 -2.534 -4.508 1.00 0.00 O ATOM 1759 CB VAL A 111 10.430 -1.554 -6.696 1.00 0.00 C ATOM 1760 CG1 VAL A 111 11.789 -1.856 -7.310 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.312 -1.872 -7.678 1.00 0.00 C ATOM 0 H VAL A 111 8.614 -1.091 -4.916 1.00 0.00 H new ATOM 0 HA VAL A 111 10.265 -3.405 -5.592 1.00 0.00 H new ATOM 0 HB VAL A 111 10.394 -0.489 -6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.903 -1.292 -8.236 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.575 -1.570 -6.611 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.863 -2.922 -7.523 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.467 -1.311 -8.600 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.314 -2.939 -7.898 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.353 -1.594 -7.240 1.00 0.00 H new ATOM 1771 N GLU A 112 11.092 -1.061 -3.500 1.00 0.00 N ATOM 1772 CA GLU A 112 12.090 -0.634 -2.526 1.00 0.00 C ATOM 1773 C GLU A 112 12.225 -1.650 -1.396 1.00 0.00 C ATOM 1774 O GLU A 112 13.334 -1.957 -0.957 1.00 0.00 O ATOM 1775 CB GLU A 112 11.720 0.736 -1.956 1.00 0.00 C ATOM 1776 CG GLU A 112 11.859 1.871 -2.961 1.00 0.00 C ATOM 1777 CD GLU A 112 12.905 2.890 -2.551 1.00 0.00 C ATOM 1778 OE1 GLU A 112 13.901 2.493 -1.910 1.00 0.00 O ATOM 1779 OE2 GLU A 112 12.728 4.084 -2.871 1.00 0.00 O ATOM 0 H GLU A 112 10.189 -0.595 -3.411 1.00 0.00 H new ATOM 0 HA GLU A 112 13.050 -0.562 -3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.692 0.705 -1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.354 0.945 -1.094 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.122 1.458 -3.935 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.897 2.370 -3.075 1.00 0.00 H new ATOM 1786 N ILE A 113 11.095 -2.167 -0.924 1.00 0.00 N ATOM 1787 CA ILE A 113 11.100 -3.145 0.158 1.00 0.00 C ATOM 1788 C ILE A 113 11.217 -4.569 -0.381 1.00 0.00 C ATOM 1789 O ILE A 113 11.625 -5.482 0.337 1.00 0.00 O ATOM 1790 CB ILE A 113 9.826 -3.033 1.028 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.610 -3.612 0.295 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.575 -1.582 1.410 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.326 -3.532 1.093 1.00 0.00 C ATOM 0 H ILE A 113 10.167 -1.926 -1.272 1.00 0.00 H new ATOM 0 HA ILE A 113 11.971 -2.925 0.776 1.00 0.00 H new ATOM 0 HB ILE A 113 9.981 -3.613 1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.476 -3.079 -0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.809 -4.654 0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.675 -1.517 2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.426 -1.202 1.975 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.443 -0.986 0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.509 -3.960 0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.440 -4.089 2.023 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.103 -2.489 1.320 1.00 0.00 H new ATOM 1805 N GLY A 114 10.846 -4.753 -1.644 1.00 0.00 N ATOM 1806 CA GLY A 114 10.906 -6.070 -2.248 1.00 0.00 C ATOM 1807 C GLY A 114 9.586 -6.803 -2.127 1.00 0.00 C ATOM 1808 O GLY A 114 9.555 -8.020 -1.947 1.00 0.00 O ATOM 0 H GLY A 114 10.505 -4.014 -2.259 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.175 -5.976 -3.300 1.00 0.00 H new ATOM 0 HA3 GLY A 114 11.692 -6.654 -1.769 1.00 0.00 H new ATOM 1812 N LEU A 115 8.494 -6.053 -2.221 1.00 0.00 N ATOM 1813 CA LEU A 115 7.156 -6.624 -2.116 1.00 0.00 C ATOM 1814 C LEU A 115 6.692 -7.168 -3.463 1.00 0.00 C ATOM 1815 O LEU A 115 6.612 -8.381 -3.659 1.00 0.00 O ATOM 1816 CB LEU A 115 6.174 -5.566 -1.603 1.00 0.00 C ATOM 1817 CG LEU A 115 5.184 -6.048 -0.541 1.00 0.00 C ATOM 1818 CD1 LEU A 115 5.901 -6.810 0.565 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.411 -4.873 0.035 1.00 0.00 C ATOM 0 H LEU A 115 8.509 -5.044 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 115 7.188 -7.452 -1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.745 -4.734 -1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.610 -5.177 -2.451 1.00 0.00 H new ATOM 0 HG LEU A 115 4.478 -6.729 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.175 -7.142 1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.408 -7.676 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.634 -6.158 1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.711 -5.233 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.106 -4.169 0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.861 -4.374 -0.762 1.00 0.00 H new ATOM 1831 N ALA A 116 6.395 -6.265 -4.392 1.00 0.00 N ATOM 1832 CA ALA A 116 5.949 -6.658 -5.722 1.00 0.00 C ATOM 1833 C ALA A 116 7.140 -6.809 -6.663 1.00 0.00 C ATOM 1834 O ALA A 116 8.286 -6.878 -6.220 1.00 0.00 O ATOM 1835 CB ALA A 116 4.962 -5.640 -6.274 1.00 0.00 C ATOM 0 H ALA A 116 6.455 -5.257 -4.248 1.00 0.00 H new ATOM 0 HA ALA A 116 5.446 -7.622 -5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.639 -5.949 -7.268 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.097 -5.577 -5.614 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.443 -4.664 -6.336 1.00 0.00 H new ATOM 1841 N LYS A 117 6.867 -6.848 -7.964 1.00 0.00 N ATOM 1842 CA LYS A 117 7.923 -6.978 -8.960 1.00 0.00 C ATOM 1843 C LYS A 117 7.822 -5.865 -9.996 1.00 0.00 C ATOM 1844 O LYS A 117 6.739 -5.337 -10.250 1.00 0.00 O ATOM 1845 CB LYS A 117 7.851 -8.342 -9.645 1.00 0.00 C ATOM 1846 CG LYS A 117 9.134 -9.148 -9.524 1.00 0.00 C ATOM 1847 CD LYS A 117 9.546 -9.333 -8.071 1.00 0.00 C ATOM 1848 CE LYS A 117 10.947 -8.797 -7.817 1.00 0.00 C ATOM 1849 NZ LYS A 117 11.513 -9.307 -6.536 1.00 0.00 N ATOM 0 H LYS A 117 5.925 -6.791 -8.351 1.00 0.00 H new ATOM 0 HA LYS A 117 8.883 -6.894 -8.451 1.00 0.00 H new ATOM 0 HB2 LYS A 117 7.030 -8.914 -9.213 1.00 0.00 H new ATOM 0 HB3 LYS A 117 7.619 -8.198 -10.700 1.00 0.00 H new ATOM 0 HG2 LYS A 117 8.997 -10.123 -9.991 1.00 0.00 H new ATOM 0 HG3 LYS A 117 9.933 -8.644 -10.068 1.00 0.00 H new ATOM 0 HD2 LYS A 117 8.836 -8.820 -7.422 1.00 0.00 H new ATOM 0 HD3 LYS A 117 9.508 -10.391 -7.813 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.600 -9.083 -8.642 1.00 0.00 H new ATOM 0 HE3 LYS A 117 10.920 -7.708 -7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 12.468 -8.919 -6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 10.904 -9.013 -5.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 11.562 -10.345 -6.567 1.00 0.00 H new ATOM 1863 N ASP A 118 8.954 -5.511 -10.592 1.00 0.00 N ATOM 1864 CA ASP A 118 8.984 -4.459 -11.600 1.00 0.00 C ATOM 1865 C ASP A 118 8.079 -4.814 -12.775 1.00 0.00 C ATOM 1866 O ASP A 118 7.534 -3.934 -13.441 1.00 0.00 O ATOM 1867 CB ASP A 118 10.413 -4.220 -12.089 1.00 0.00 C ATOM 1868 CG ASP A 118 10.996 -5.431 -12.792 1.00 0.00 C ATOM 1869 OD1 ASP A 118 11.310 -6.424 -12.103 1.00 0.00 O ATOM 1870 OD2 ASP A 118 11.141 -5.385 -14.032 1.00 0.00 O ATOM 0 H ASP A 118 9.860 -5.935 -10.396 1.00 0.00 H new ATOM 0 HA ASP A 118 8.616 -3.541 -11.142 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.423 -3.369 -12.770 1.00 0.00 H new ATOM 0 HB3 ASP A 118 11.045 -3.957 -11.241 1.00 0.00 H new ATOM 1875 N ASP A 119 7.918 -6.111 -13.017 1.00 0.00 N ATOM 1876 CA ASP A 119 7.072 -6.585 -14.104 1.00 0.00 C ATOM 1877 C ASP A 119 5.608 -6.577 -13.679 1.00 0.00 C ATOM 1878 O ASP A 119 4.711 -6.424 -14.508 1.00 0.00 O ATOM 1879 CB ASP A 119 7.486 -7.995 -14.528 1.00 0.00 C ATOM 1880 CG ASP A 119 8.964 -8.091 -14.855 1.00 0.00 C ATOM 1881 OD1 ASP A 119 9.789 -7.865 -13.945 1.00 0.00 O ATOM 1882 OD2 ASP A 119 9.296 -8.390 -16.021 1.00 0.00 O ATOM 0 H ASP A 119 8.363 -6.852 -12.475 1.00 0.00 H new ATOM 0 HA ASP A 119 7.196 -5.913 -14.953 1.00 0.00 H new ATOM 0 HB2 ASP A 119 7.247 -8.696 -13.728 1.00 0.00 H new ATOM 0 HB3 ASP A 119 6.904 -8.295 -15.399 1.00 0.00 H new ATOM 1887 N GLN A 120 5.377 -6.737 -12.380 1.00 0.00 N ATOM 1888 CA GLN A 120 4.023 -6.743 -11.838 1.00 0.00 C ATOM 1889 C GLN A 120 3.519 -5.323 -11.594 1.00 0.00 C ATOM 1890 O GLN A 120 2.357 -5.120 -11.245 1.00 0.00 O ATOM 1891 CB GLN A 120 3.980 -7.535 -10.532 1.00 0.00 C ATOM 1892 CG GLN A 120 4.568 -8.933 -10.642 1.00 0.00 C ATOM 1893 CD GLN A 120 4.176 -9.822 -9.477 1.00 0.00 C ATOM 1894 OE1 GLN A 120 3.938 -11.017 -9.646 1.00 0.00 O ATOM 1895 NE2 GLN A 120 4.105 -9.240 -8.284 1.00 0.00 N ATOM 0 H GLN A 120 6.110 -6.864 -11.683 1.00 0.00 H new ATOM 0 HA GLN A 120 3.372 -7.218 -12.572 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.522 -6.982 -9.765 1.00 0.00 H new ATOM 0 HB3 GLN A 120 2.945 -7.611 -10.198 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.235 -9.392 -11.573 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.655 -8.864 -10.692 1.00 0.00 H new ATOM 0 HE21 GLN A 120 4.311 -8.246 -8.189 1.00 0.00 H new ATOM 0 HE22 GLN A 120 3.845 -9.788 -7.464 1.00 0.00 H new ATOM 1904 N LEU A 121 4.399 -4.343 -11.775 1.00 0.00 N ATOM 1905 CA LEU A 121 4.046 -2.942 -11.571 1.00 0.00 C ATOM 1906 C LEU A 121 2.802 -2.569 -12.370 1.00 0.00 C ATOM 1907 O LEU A 121 2.893 -2.177 -13.533 1.00 0.00 O ATOM 1908 CB LEU A 121 5.212 -2.036 -11.970 1.00 0.00 C ATOM 1909 CG LEU A 121 6.378 -2.007 -10.982 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.597 -1.350 -11.614 1.00 0.00 C ATOM 1911 CD2 LEU A 121 5.979 -1.277 -9.707 1.00 0.00 C ATOM 0 H LEU A 121 5.366 -4.494 -12.064 1.00 0.00 H new ATOM 0 HA LEU A 121 3.830 -2.801 -10.512 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.587 -2.359 -12.941 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.836 -1.020 -12.095 1.00 0.00 H new ATOM 0 HG LEU A 121 6.636 -3.034 -10.724 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.417 -1.338 -10.896 1.00 0.00 H new ATOM 0 HD12 LEU A 121 7.897 -1.913 -12.498 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.351 -0.328 -11.901 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.821 -1.266 -9.015 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.694 -0.253 -9.948 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.135 -1.789 -9.244 1.00 0.00 H new ATOM 1923 N LYS A 122 1.640 -2.694 -11.736 1.00 0.00 N ATOM 1924 CA LYS A 122 0.378 -2.371 -12.385 1.00 0.00 C ATOM 1925 C LYS A 122 -0.298 -1.189 -11.697 1.00 0.00 C ATOM 1926 O LYS A 122 -1.162 -1.367 -10.839 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.548 -3.588 -12.371 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.544 -4.364 -13.679 1.00 0.00 C ATOM 1929 CD LYS A 122 -1.151 -3.552 -14.811 1.00 0.00 C ATOM 1930 CE LYS A 122 -0.409 -3.776 -16.120 1.00 0.00 C ATOM 1931 NZ LYS A 122 -1.341 -3.906 -17.273 1.00 0.00 N ATOM 0 H LYS A 122 1.548 -3.017 -10.773 1.00 0.00 H new ATOM 0 HA LYS A 122 0.585 -2.094 -13.419 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.249 -4.254 -11.561 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.565 -3.260 -12.155 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.479 -4.640 -13.936 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.103 -5.291 -13.555 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -2.199 -3.825 -14.935 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.126 -2.493 -14.554 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.273 -2.945 -16.297 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.200 -4.677 -16.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.795 -4.057 -18.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.976 -4.715 -17.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -1.904 -3.037 -17.364 1.00 0.00 H new ATOM 1945 N VAL A 123 0.107 0.019 -12.077 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.455 1.231 -11.492 1.00 0.00 C ATOM 1947 C VAL A 123 -1.561 1.809 -12.370 1.00 0.00 C ATOM 1948 O VAL A 123 -1.355 2.063 -13.557 1.00 0.00 O ATOM 1949 CB VAL A 123 0.629 2.303 -11.273 1.00 0.00 C ATOM 1950 CG1 VAL A 123 1.229 2.747 -12.599 1.00 0.00 C ATOM 1951 CG2 VAL A 123 0.058 3.492 -10.514 1.00 0.00 C ATOM 0 H VAL A 123 0.821 0.184 -12.786 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.876 0.949 -10.527 1.00 0.00 H new ATOM 0 HB VAL A 123 1.426 1.864 -10.673 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.992 3.504 -12.418 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.680 1.890 -13.099 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.446 3.165 -13.231 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.838 4.239 -10.368 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.761 3.929 -11.085 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.312 3.161 -9.544 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.737 2.013 -11.781 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.872 2.560 -12.517 1.00 0.00 C ATOM 1963 C HIS A 124 -4.479 3.755 -11.791 1.00 0.00 C ATOM 1964 O HIS A 124 -5.524 3.640 -11.151 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.932 1.480 -12.723 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.369 0.194 -13.239 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.587 -0.262 -14.520 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.579 -0.729 -12.641 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -3.957 -1.411 -14.689 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -3.336 -1.716 -13.565 1.00 0.00 N ATOM 0 H HIS A 124 -2.928 1.808 -10.800 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.511 2.902 -13.487 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.440 1.293 -11.777 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.684 1.846 -13.422 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -5.147 0.213 -15.228 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.209 -0.695 -11.627 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.951 -2.001 -15.594 1.00 0.00 H new ATOM 1979 N GLY A 125 -3.820 4.904 -11.901 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.316 6.104 -11.255 1.00 0.00 C ATOM 1981 C GLY A 125 -5.707 6.479 -11.724 1.00 0.00 C ATOM 1982 O GLY A 125 -5.928 6.705 -12.914 1.00 0.00 O ATOM 0 H GLY A 125 -2.953 5.025 -12.425 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.328 5.954 -10.175 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.633 6.930 -11.455 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.649 6.542 -10.786 1.00 0.00 N ATOM 1987 CA PHE A 126 -8.034 6.889 -11.101 1.00 0.00 C ATOM 1988 C PHE A 126 -8.108 8.087 -12.048 1.00 0.00 C ATOM 1989 O PHE A 126 -9.017 8.109 -12.903 1.00 0.00 O ATOM 1990 CB PHE A 126 -8.811 7.182 -9.812 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.562 8.553 -9.247 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -7.272 9.041 -9.115 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -9.621 9.354 -8.848 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -7.041 10.301 -8.597 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -9.396 10.615 -8.330 1.00 0.00 C ATOM 1996 CZ PHE A 126 -8.106 11.090 -8.205 1.00 0.00 C ATOM 1997 OXT PHE A 126 -7.256 8.992 -11.923 1.00 0.00 O ATOM 0 H PHE A 126 -6.478 6.357 -9.798 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.488 6.036 -11.606 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -9.877 7.069 -10.009 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -8.545 6.437 -9.062 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -6.436 8.429 -9.421 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -10.633 8.988 -8.943 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -6.030 10.669 -8.499 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -10.230 11.229 -8.023 1.00 0.00 H new ATOM 0 HZ PHE A 126 -7.929 12.076 -7.802 1.00 0.00 H new