USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ -96:sc= 0.0348 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.604 USER MOD Single : A 9 LYS NZ :NH3+ -105:sc= -0.0187 (180deg=-2.07!) USER MOD Single : A 12 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.66) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -155:sc=-6.99e-05 (180deg=-0.665) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 15:sc= -0.843 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -1.02 K(o=-1,f=0.04) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.409 X(o=-0.41,f=-0.41) USER MOD Single : A 45 SER OG : rot 180:sc= -0.298 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : A 54 THR OG1 : rot 144:sc= 0.0382 USER MOD Single : A 56 GLN : amide:sc= -1.88! K(o=-1.9!,f=-0.15) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 161:sc= -0.0166 (180deg=-0.204) USER MOD Single : A 64 ASN : amide:sc= -3.1 X(o=-3.1,f=-3.4!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.233 0.562 0.008 1.00 0.00 N ATOM 2 CA LEU A 1 2.086 0.526 -1.175 1.00 0.00 C ATOM 3 C LEU A 1 1.560 -0.479 -2.195 1.00 0.00 C ATOM 4 O LEU A 1 0.939 -1.480 -1.835 1.00 0.00 O ATOM 5 CB LEU A 1 3.520 0.167 -0.782 1.00 0.00 C ATOM 6 CG LEU A 1 4.570 0.291 -1.888 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.526 1.677 -2.512 1.00 0.00 C ATOM 8 CD2 LEU A 1 5.958 -0.006 -1.341 1.00 0.00 C ATOM 0 H1 LEU A 1 0.550 1.342 -0.080 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.721 -0.339 0.094 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.819 0.709 0.854 1.00 0.00 H new ATOM 0 HA LEU A 1 2.077 1.516 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.819 0.806 0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.529 -0.859 -0.414 1.00 0.00 H new ATOM 0 HG LEU A 1 4.343 -0.441 -2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 1 5.280 1.747 -3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.539 1.852 -2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.728 2.427 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 1 6.692 0.087 -2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 1 6.195 0.702 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 1 5.983 -1.020 -0.942 1.00 0.00 H new ATOM 20 N THR A 2 1.813 -0.206 -3.472 1.00 0.00 N ATOM 21 CA THR A 2 1.367 -1.085 -4.544 1.00 0.00 C ATOM 22 C THR A 2 2.530 -1.884 -5.121 1.00 0.00 C ATOM 23 O THR A 2 3.582 -1.328 -5.438 1.00 0.00 O ATOM 24 CB THR A 2 0.693 -0.290 -5.679 1.00 0.00 C ATOM 25 OG1 THR A 2 -0.231 0.657 -5.131 1.00 0.00 O ATOM 26 CG2 THR A 2 -0.035 -1.223 -6.635 1.00 0.00 C ATOM 0 H THR A 2 2.325 0.618 -3.788 1.00 0.00 H new ATOM 0 HA THR A 2 0.640 -1.770 -4.108 1.00 0.00 H new ATOM 0 HB THR A 2 1.468 0.239 -6.233 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.654 1.160 -5.858 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.503 -0.639 -7.428 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.677 -1.924 -7.072 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.801 -1.776 -6.091 1.00 0.00 H new ATOM 34 N CYS A 3 2.335 -3.192 -5.254 1.00 0.00 N ATOM 35 CA CYS A 3 3.367 -4.069 -5.793 1.00 0.00 C ATOM 36 C CYS A 3 2.747 -5.225 -6.572 1.00 0.00 C ATOM 37 O CYS A 3 1.723 -5.780 -6.171 1.00 0.00 O ATOM 38 CB CYS A 3 4.244 -4.612 -4.663 1.00 0.00 C ATOM 39 SG CYS A 3 3.353 -4.892 -3.099 1.00 0.00 S ATOM 0 H CYS A 3 1.471 -3.668 -4.995 1.00 0.00 H new ATOM 0 HA CYS A 3 3.985 -3.486 -6.476 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.694 -5.551 -4.986 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.061 -3.913 -4.483 1.00 0.00 H new ATOM 44 N LEU A 4 3.375 -5.584 -7.686 1.00 0.00 N ATOM 45 CA LEU A 4 2.885 -6.675 -8.522 1.00 0.00 C ATOM 46 C LEU A 4 3.101 -8.022 -7.841 1.00 0.00 C ATOM 47 O LEU A 4 3.804 -8.114 -6.834 1.00 0.00 O ATOM 48 CB LEU A 4 3.590 -6.658 -9.880 1.00 0.00 C ATOM 49 CG LEU A 4 3.276 -5.466 -10.785 1.00 0.00 C ATOM 50 CD1 LEU A 4 4.344 -4.393 -10.643 1.00 0.00 C ATOM 51 CD2 LEU A 4 3.155 -5.913 -12.234 1.00 0.00 C ATOM 0 H LEU A 4 4.224 -5.136 -8.031 1.00 0.00 H new ATOM 0 HA LEU A 4 1.815 -6.533 -8.673 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.666 -6.685 -9.708 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.329 -7.572 -10.414 1.00 0.00 H new ATOM 0 HG LEU A 4 2.320 -5.042 -10.477 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.104 -3.552 -11.294 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.381 -4.051 -9.609 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.313 -4.805 -10.924 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.931 -5.051 -12.863 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.094 -6.363 -12.556 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.353 -6.645 -12.323 1.00 0.00 H new ATOM 63 N ILE A 5 2.495 -9.065 -8.398 1.00 0.00 N ATOM 64 CA ILE A 5 2.625 -10.408 -7.846 1.00 0.00 C ATOM 65 C ILE A 5 1.907 -11.432 -8.719 1.00 0.00 C ATOM 66 O ILE A 5 0.816 -11.175 -9.228 1.00 0.00 O ATOM 67 CB ILE A 5 2.061 -10.485 -6.415 1.00 0.00 C ATOM 68 CG1 ILE A 5 2.083 -11.930 -5.912 1.00 0.00 C ATOM 69 CG2 ILE A 5 0.647 -9.924 -6.372 1.00 0.00 C ATOM 70 CD1 ILE A 5 1.376 -12.119 -4.588 1.00 0.00 C ATOM 0 H ILE A 5 1.909 -9.006 -9.231 1.00 0.00 H new ATOM 0 HA ILE A 5 3.690 -10.638 -7.821 1.00 0.00 H new ATOM 0 HB ILE A 5 2.690 -9.883 -5.759 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.617 -12.573 -6.659 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.118 -12.256 -5.812 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.262 -9.985 -5.354 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.659 -8.883 -6.693 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.006 -10.502 -7.038 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.431 -13.167 -4.292 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.856 -11.502 -3.828 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.331 -11.825 -4.688 1.00 0.00 H new ATOM 82 N CYS A 6 2.527 -12.596 -8.886 1.00 0.00 N ATOM 83 CA CYS A 6 1.948 -13.661 -9.695 1.00 0.00 C ATOM 84 C CYS A 6 2.931 -14.818 -9.856 1.00 0.00 C ATOM 85 O CYS A 6 3.782 -14.823 -10.746 1.00 0.00 O ATOM 86 CB CYS A 6 1.546 -13.125 -11.071 1.00 0.00 C ATOM 87 SG CYS A 6 1.135 -14.420 -12.284 1.00 0.00 S ATOM 0 H CYS A 6 3.430 -12.825 -8.471 1.00 0.00 H new ATOM 0 HA CYS A 6 1.060 -14.030 -9.182 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.686 -12.465 -10.955 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.362 -12.519 -11.465 1.00 0.00 H new ATOM 92 N PRO A 7 2.813 -15.822 -8.975 1.00 0.00 N ATOM 93 CA PRO A 7 3.681 -17.002 -8.998 1.00 0.00 C ATOM 94 C PRO A 7 3.411 -17.897 -10.203 1.00 0.00 C ATOM 95 O PRO A 7 2.842 -18.980 -10.067 1.00 0.00 O ATOM 96 CB PRO A 7 3.325 -17.731 -7.700 1.00 0.00 C ATOM 97 CG PRO A 7 1.934 -17.297 -7.392 1.00 0.00 C ATOM 98 CD PRO A 7 1.821 -15.882 -7.888 1.00 0.00 C ATOM 0 HA PRO A 7 4.734 -16.731 -9.075 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.384 -18.812 -7.824 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.010 -17.465 -6.895 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.206 -17.942 -7.884 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.736 -17.352 -6.321 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.816 -15.661 -8.248 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.043 -15.161 -7.101 1.00 0.00 H new ATOM 106 N GLU A 8 3.822 -17.438 -11.380 1.00 0.00 N ATOM 107 CA GLU A 8 3.622 -18.198 -12.608 1.00 0.00 C ATOM 108 C GLU A 8 4.735 -17.911 -13.613 1.00 0.00 C ATOM 109 O GLU A 8 5.523 -16.982 -13.435 1.00 0.00 O ATOM 110 CB GLU A 8 2.263 -17.863 -13.227 1.00 0.00 C ATOM 111 CG GLU A 8 1.089 -18.155 -12.308 1.00 0.00 C ATOM 112 CD GLU A 8 0.937 -19.633 -12.006 1.00 0.00 C ATOM 113 OE1 GLU A 8 1.397 -20.457 -12.824 1.00 0.00 O ATOM 114 OE2 GLU A 8 0.358 -19.966 -10.951 1.00 0.00 O ATOM 0 H GLU A 8 4.295 -16.544 -11.509 1.00 0.00 H new ATOM 0 HA GLU A 8 3.647 -19.258 -12.356 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.247 -16.808 -13.499 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.143 -18.432 -14.149 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.219 -17.609 -11.374 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.172 -17.786 -12.768 1.00 0.00 H new ATOM 121 N LYS A 9 4.793 -18.716 -14.668 1.00 0.00 N ATOM 122 CA LYS A 9 5.807 -18.551 -15.702 1.00 0.00 C ATOM 123 C LYS A 9 5.820 -17.119 -16.228 1.00 0.00 C ATOM 124 O LYS A 9 6.695 -16.327 -15.878 1.00 0.00 O ATOM 125 CB LYS A 9 5.555 -19.526 -16.854 1.00 0.00 C ATOM 126 CG LYS A 9 6.234 -20.872 -16.671 1.00 0.00 C ATOM 127 CD LYS A 9 7.748 -20.736 -16.660 1.00 0.00 C ATOM 128 CE LYS A 9 8.328 -21.088 -15.299 1.00 0.00 C ATOM 129 NZ LYS A 9 8.661 -22.536 -15.194 1.00 0.00 N ATOM 0 H LYS A 9 4.149 -19.490 -14.830 1.00 0.00 H new ATOM 0 HA LYS A 9 6.779 -18.766 -15.259 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.481 -19.681 -16.959 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.904 -19.076 -17.783 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.902 -21.324 -15.737 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.934 -21.544 -17.475 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.179 -21.388 -17.420 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.025 -19.715 -16.922 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.226 -20.495 -15.123 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.613 -20.823 -14.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.949 -23.014 -14.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.668 -22.960 -16.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.599 -22.646 -14.759 1.00 0.00 H new ATOM 143 N ASP A 10 4.844 -16.794 -17.069 1.00 0.00 N ATOM 144 CA ASP A 10 4.741 -15.456 -17.641 1.00 0.00 C ATOM 145 C ASP A 10 3.438 -14.784 -17.220 1.00 0.00 C ATOM 146 O ASP A 10 2.403 -14.953 -17.866 1.00 0.00 O ATOM 147 CB ASP A 10 4.825 -15.523 -19.166 1.00 0.00 C ATOM 148 CG ASP A 10 6.233 -15.288 -19.679 1.00 0.00 C ATOM 149 OD1 ASP A 10 6.732 -14.152 -19.543 1.00 0.00 O ATOM 150 OD2 ASP A 10 6.835 -16.241 -20.216 1.00 0.00 O ATOM 0 H ASP A 10 4.113 -17.439 -17.370 1.00 0.00 H new ATOM 0 HA ASP A 10 5.573 -14.861 -17.265 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.476 -16.499 -19.504 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.155 -14.779 -19.597 1.00 0.00 H new ATOM 155 N CYS A 11 3.496 -14.022 -16.133 1.00 0.00 N ATOM 156 CA CYS A 11 2.321 -13.325 -15.624 1.00 0.00 C ATOM 157 C CYS A 11 2.685 -12.441 -14.434 1.00 0.00 C ATOM 158 O CYS A 11 3.467 -12.838 -13.571 1.00 0.00 O ATOM 159 CB CYS A 11 1.243 -14.331 -15.215 1.00 0.00 C ATOM 160 SG CYS A 11 0.150 -13.747 -13.879 1.00 0.00 S ATOM 0 H CYS A 11 4.345 -13.871 -15.587 1.00 0.00 H new ATOM 0 HA CYS A 11 1.933 -12.690 -16.420 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.636 -14.572 -16.088 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.725 -15.255 -14.897 1.00 0.00 H new ATOM 165 N GLN A 12 2.112 -11.243 -14.397 1.00 0.00 N ATOM 166 CA GLN A 12 2.378 -10.303 -13.314 1.00 0.00 C ATOM 167 C GLN A 12 1.116 -9.530 -12.943 1.00 0.00 C ATOM 168 O GLN A 12 0.681 -8.642 -13.677 1.00 0.00 O ATOM 169 CB GLN A 12 3.487 -9.329 -13.716 1.00 0.00 C ATOM 170 CG GLN A 12 4.887 -9.857 -13.445 1.00 0.00 C ATOM 171 CD GLN A 12 5.454 -10.634 -14.616 1.00 0.00 C ATOM 172 OE1 GLN A 12 5.817 -11.804 -14.482 1.00 0.00 O ATOM 173 NE2 GLN A 12 5.534 -9.988 -15.773 1.00 0.00 N ATOM 0 H GLN A 12 1.461 -10.900 -15.103 1.00 0.00 H new ATOM 0 HA GLN A 12 2.703 -10.873 -12.443 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.392 -9.102 -14.778 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.350 -8.392 -13.176 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.548 -9.022 -13.214 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.865 -10.499 -12.564 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.222 -9.019 -15.839 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.908 -10.460 -16.596 1.00 0.00 H new ATOM 182 N LYS A 13 0.533 -9.874 -11.800 1.00 0.00 N ATOM 183 CA LYS A 13 -0.679 -9.212 -11.330 1.00 0.00 C ATOM 184 C LYS A 13 -0.338 -8.019 -10.443 1.00 0.00 C ATOM 185 O LYS A 13 0.823 -7.622 -10.338 1.00 0.00 O ATOM 186 CB LYS A 13 -1.557 -10.200 -10.558 1.00 0.00 C ATOM 187 CG LYS A 13 -3.022 -10.151 -10.957 1.00 0.00 C ATOM 188 CD LYS A 13 -3.349 -11.197 -12.009 1.00 0.00 C ATOM 189 CE LYS A 13 -4.801 -11.108 -12.451 1.00 0.00 C ATOM 190 NZ LYS A 13 -5.210 -12.293 -13.255 1.00 0.00 N ATOM 0 H LYS A 13 0.880 -10.607 -11.182 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.227 -8.851 -12.200 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.179 -11.210 -10.717 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.472 -9.992 -9.491 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.645 -10.311 -10.077 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.262 -9.160 -11.341 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.696 -11.063 -12.872 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.150 -12.191 -11.609 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.443 -11.025 -11.574 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.947 -10.202 -13.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.206 -12.194 -13.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.614 -12.358 -14.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.096 -13.155 -12.685 1.00 0.00 H new ATOM 204 N VAL A 14 -1.356 -7.451 -9.805 1.00 0.00 N ATOM 205 CA VAL A 14 -1.164 -6.305 -8.925 1.00 0.00 C ATOM 206 C VAL A 14 -1.688 -6.594 -7.523 1.00 0.00 C ATOM 207 O VAL A 14 -2.745 -7.204 -7.357 1.00 0.00 O ATOM 208 CB VAL A 14 -1.868 -5.050 -9.476 1.00 0.00 C ATOM 209 CG1 VAL A 14 -1.391 -4.746 -10.887 1.00 0.00 C ATOM 210 CG2 VAL A 14 -3.378 -5.229 -9.442 1.00 0.00 C ATOM 0 H VAL A 14 -2.323 -7.766 -9.881 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.091 -6.119 -8.877 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.611 -4.202 -8.841 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.899 -3.857 -11.259 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.315 -4.572 -10.878 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.616 -5.591 -11.537 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.859 -4.333 -9.835 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.656 -6.088 -10.053 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.702 -5.394 -8.414 1.00 0.00 H new ATOM 220 N HIS A 15 -0.942 -6.151 -6.515 1.00 0.00 N ATOM 221 CA HIS A 15 -1.332 -6.362 -5.126 1.00 0.00 C ATOM 222 C HIS A 15 -0.871 -5.201 -4.250 1.00 0.00 C ATOM 223 O HIS A 15 0.321 -4.895 -4.182 1.00 0.00 O ATOM 224 CB HIS A 15 -0.747 -7.674 -4.603 1.00 0.00 C ATOM 225 CG HIS A 15 -1.036 -7.924 -3.155 1.00 0.00 C ATOM 226 ND1 HIS A 15 -0.050 -8.006 -2.194 1.00 0.00 N ATOM 227 CD2 HIS A 15 -2.209 -8.107 -2.504 1.00 0.00 C ATOM 228 CE1 HIS A 15 -0.604 -8.232 -1.016 1.00 0.00 C ATOM 229 NE2 HIS A 15 -1.913 -8.297 -1.177 1.00 0.00 N ATOM 0 H HIS A 15 -0.065 -5.644 -6.635 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.420 -6.416 -5.084 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.145 -8.500 -5.192 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.333 -7.666 -4.753 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.194 -8.104 -2.946 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.076 -8.344 -0.081 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.594 -8.462 -0.436 1.00 0.00 H new ATOM 237 N THR A 16 -1.821 -4.556 -3.581 1.00 0.00 N ATOM 238 CA THR A 16 -1.513 -3.427 -2.712 1.00 0.00 C ATOM 239 C THR A 16 -1.415 -3.866 -1.255 1.00 0.00 C ATOM 240 O THR A 16 -2.396 -4.323 -0.667 1.00 0.00 O ATOM 241 CB THR A 16 -2.575 -2.319 -2.832 1.00 0.00 C ATOM 242 OG1 THR A 16 -3.401 -2.553 -3.978 1.00 0.00 O ATOM 243 CG2 THR A 16 -1.919 -0.951 -2.944 1.00 0.00 C ATOM 0 H THR A 16 -2.811 -4.796 -3.624 1.00 0.00 H new ATOM 0 HA THR A 16 -0.550 -3.033 -3.036 1.00 0.00 H new ATOM 0 HB THR A 16 -3.190 -2.337 -1.932 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.075 -1.845 -4.046 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.689 -0.184 -3.028 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.315 -0.763 -2.056 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.282 -0.924 -3.828 1.00 0.00 H new ATOM 251 N CYS A 17 -0.226 -3.725 -0.678 1.00 0.00 N ATOM 252 CA CYS A 17 0.000 -4.107 0.710 1.00 0.00 C ATOM 253 C CYS A 17 -0.573 -3.061 1.662 1.00 0.00 C ATOM 254 O CYS A 17 0.043 -2.023 1.904 1.00 0.00 O ATOM 255 CB CYS A 17 1.496 -4.287 0.974 1.00 0.00 C ATOM 256 SG CYS A 17 1.884 -5.560 2.218 1.00 0.00 S ATOM 0 H CYS A 17 0.596 -3.349 -1.151 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.510 -5.054 0.888 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.991 -4.546 0.038 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.913 -3.335 1.302 1.00 0.00 H new ATOM 261 N ARG A 18 -1.756 -3.343 2.199 1.00 0.00 N ATOM 262 CA ARG A 18 -2.413 -2.427 3.124 1.00 0.00 C ATOM 263 C ARG A 18 -2.324 -2.944 4.557 1.00 0.00 C ATOM 264 O ARG A 18 -3.083 -2.521 5.428 1.00 0.00 O ATOM 265 CB ARG A 18 -3.878 -2.235 2.730 1.00 0.00 C ATOM 266 CG ARG A 18 -4.076 -1.906 1.259 1.00 0.00 C ATOM 267 CD ARG A 18 -5.535 -1.616 0.944 1.00 0.00 C ATOM 268 NE ARG A 18 -5.846 -0.193 1.053 1.00 0.00 N ATOM 269 CZ ARG A 18 -7.083 0.290 1.063 1.00 0.00 C ATOM 270 NH1 ARG A 18 -8.120 -0.531 0.970 1.00 0.00 N ATOM 271 NH2 ARG A 18 -7.285 1.598 1.165 1.00 0.00 N ATOM 0 H ARG A 18 -2.279 -4.198 2.009 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.900 -1.467 3.070 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.431 -3.143 2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.306 -1.434 3.333 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.467 -1.042 0.993 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.730 -2.740 0.649 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.764 -1.961 -0.064 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.172 -2.180 1.626 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.071 0.466 1.125 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.969 -1.537 0.891 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.069 -0.157 0.978 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.490 2.233 1.236 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.235 1.968 1.173 1.00 0.00 H new ATOM 285 N ASN A 19 -1.391 -3.861 4.792 1.00 0.00 N ATOM 286 CA ASN A 19 -1.203 -4.437 6.119 1.00 0.00 C ATOM 287 C ASN A 19 -0.071 -3.734 6.862 1.00 0.00 C ATOM 288 O ASN A 19 0.477 -2.742 6.382 1.00 0.00 O ATOM 289 CB ASN A 19 -0.906 -5.934 6.011 1.00 0.00 C ATOM 290 CG ASN A 19 -1.812 -6.632 5.015 1.00 0.00 C ATOM 291 OD1 ASN A 19 -3.036 -6.598 5.141 1.00 0.00 O ATOM 292 ND2 ASN A 19 -1.211 -7.272 4.018 1.00 0.00 N ATOM 0 H ASN A 19 -0.754 -4.221 4.082 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.125 -4.297 6.683 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.133 -6.075 5.714 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.023 -6.397 6.991 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.767 -7.762 3.317 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.193 -7.274 3.953 1.00 0.00 H new ATOM 299 N GLU A 20 0.275 -4.257 8.034 1.00 0.00 N ATOM 300 CA GLU A 20 1.342 -3.679 8.842 1.00 0.00 C ATOM 301 C GLU A 20 2.642 -3.595 8.047 1.00 0.00 C ATOM 302 O GLU A 20 3.499 -2.757 8.326 1.00 0.00 O ATOM 303 CB GLU A 20 1.560 -4.510 10.109 1.00 0.00 C ATOM 304 CG GLU A 20 0.416 -4.413 11.104 1.00 0.00 C ATOM 305 CD GLU A 20 0.287 -5.653 11.967 1.00 0.00 C ATOM 306 OE1 GLU A 20 1.037 -5.765 12.959 1.00 0.00 O ATOM 307 OE2 GLU A 20 -0.564 -6.511 11.651 1.00 0.00 O ATOM 0 H GLU A 20 -0.168 -5.079 8.445 1.00 0.00 H new ATOM 0 HA GLU A 20 1.043 -2.670 9.124 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.700 -5.554 9.829 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.480 -4.184 10.593 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.569 -3.544 11.744 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.517 -4.252 10.564 1.00 0.00 H new ATOM 314 N GLU A 21 2.780 -4.470 7.056 1.00 0.00 N ATOM 315 CA GLU A 21 3.976 -4.495 6.221 1.00 0.00 C ATOM 316 C GLU A 21 4.036 -3.265 5.320 1.00 0.00 C ATOM 317 O GLU A 21 3.216 -2.354 5.437 1.00 0.00 O ATOM 318 CB GLU A 21 4.004 -5.766 5.370 1.00 0.00 C ATOM 319 CG GLU A 21 3.942 -7.046 6.185 1.00 0.00 C ATOM 320 CD GLU A 21 2.522 -7.528 6.409 1.00 0.00 C ATOM 321 OE1 GLU A 21 1.802 -7.733 5.410 1.00 0.00 O ATOM 322 OE2 GLU A 21 2.131 -7.699 7.582 1.00 0.00 O ATOM 0 H GLU A 21 2.080 -5.170 6.812 1.00 0.00 H new ATOM 0 HA GLU A 21 4.846 -4.486 6.877 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.164 -5.747 4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.914 -5.771 4.770 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.510 -7.824 5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.422 -6.881 7.150 1.00 0.00 H new ATOM 329 N LYS A 22 5.015 -3.245 4.421 1.00 0.00 N ATOM 330 CA LYS A 22 5.184 -2.128 3.499 1.00 0.00 C ATOM 331 C LYS A 22 5.881 -2.580 2.220 1.00 0.00 C ATOM 332 O LYS A 22 5.475 -2.212 1.117 1.00 0.00 O ATOM 333 CB LYS A 22 5.989 -1.009 4.163 1.00 0.00 C ATOM 334 CG LYS A 22 5.226 -0.275 5.252 1.00 0.00 C ATOM 335 CD LYS A 22 6.044 0.865 5.835 1.00 0.00 C ATOM 336 CE LYS A 22 5.778 2.173 5.104 1.00 0.00 C ATOM 337 NZ LYS A 22 6.681 2.347 3.932 1.00 0.00 N ATOM 0 H LYS A 22 5.703 -3.990 4.312 1.00 0.00 H new ATOM 0 HA LYS A 22 4.195 -1.750 3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.899 -1.431 4.590 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.297 -0.293 3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.294 0.116 4.844 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.958 -0.974 6.044 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.805 0.982 6.892 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.105 0.622 5.773 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.741 2.198 4.770 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.912 3.007 5.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.785 3.360 3.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.614 1.941 4.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.276 1.861 3.106 1.00 0.00 H new ATOM 351 N ILE A 23 6.931 -3.379 2.375 1.00 0.00 N ATOM 352 CA ILE A 23 7.683 -3.883 1.232 1.00 0.00 C ATOM 353 C ILE A 23 7.136 -5.228 0.764 1.00 0.00 C ATOM 354 O ILE A 23 6.469 -5.936 1.519 1.00 0.00 O ATOM 355 CB ILE A 23 9.178 -4.038 1.565 1.00 0.00 C ATOM 356 CG1 ILE A 23 9.370 -5.059 2.688 1.00 0.00 C ATOM 357 CG2 ILE A 23 9.776 -2.694 1.956 1.00 0.00 C ATOM 358 CD1 ILE A 23 10.770 -5.627 2.755 1.00 0.00 C ATOM 0 H ILE A 23 7.281 -3.691 3.281 1.00 0.00 H new ATOM 0 HA ILE A 23 7.572 -3.150 0.433 1.00 0.00 H new ATOM 0 HB ILE A 23 9.697 -4.400 0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.132 -4.587 3.641 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.661 -5.876 2.551 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.833 -2.820 2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.668 -1.993 1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.256 -2.305 2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.833 -6.343 3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.005 -6.128 1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.483 -4.820 2.924 1.00 0.00 H new ATOM 370 N CYS A 24 7.424 -5.575 -0.486 1.00 0.00 N ATOM 371 CA CYS A 24 6.963 -6.835 -1.056 1.00 0.00 C ATOM 372 C CYS A 24 8.132 -7.635 -1.623 1.00 0.00 C ATOM 373 O CYS A 24 8.865 -7.156 -2.488 1.00 0.00 O ATOM 374 CB CYS A 24 5.929 -6.575 -2.153 1.00 0.00 C ATOM 375 SG CYS A 24 4.616 -5.406 -1.675 1.00 0.00 S ATOM 0 H CYS A 24 7.975 -5.001 -1.124 1.00 0.00 H new ATOM 0 HA CYS A 24 6.499 -7.417 -0.260 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.440 -6.190 -3.035 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.471 -7.522 -2.438 1.00 0.00 H new ATOM 380 N VAL A 25 8.299 -8.858 -1.130 1.00 0.00 N ATOM 381 CA VAL A 25 9.378 -9.726 -1.587 1.00 0.00 C ATOM 382 C VAL A 25 8.850 -11.107 -1.962 1.00 0.00 C ATOM 383 O VAL A 25 7.900 -11.606 -1.359 1.00 0.00 O ATOM 384 CB VAL A 25 10.469 -9.881 -0.511 1.00 0.00 C ATOM 385 CG1 VAL A 25 9.867 -10.387 0.791 1.00 0.00 C ATOM 386 CG2 VAL A 25 11.568 -10.813 -0.998 1.00 0.00 C ATOM 0 H VAL A 25 7.701 -9.270 -0.414 1.00 0.00 H new ATOM 0 HA VAL A 25 9.812 -9.254 -2.468 1.00 0.00 H new ATOM 0 HB VAL A 25 10.911 -8.903 -0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.653 -10.490 1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.119 -9.678 1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.397 -11.356 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.331 -10.911 -0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.144 -11.793 -1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.018 -10.403 -1.902 1.00 0.00 H new ATOM 396 N LYS A 26 9.474 -11.720 -2.962 1.00 0.00 N ATOM 397 CA LYS A 26 9.070 -13.045 -3.418 1.00 0.00 C ATOM 398 C LYS A 26 10.286 -13.937 -3.644 1.00 0.00 C ATOM 399 O LYS A 26 11.332 -13.474 -4.099 1.00 0.00 O ATOM 400 CB LYS A 26 8.257 -12.936 -4.711 1.00 0.00 C ATOM 401 CG LYS A 26 8.201 -14.230 -5.505 1.00 0.00 C ATOM 402 CD LYS A 26 7.265 -14.113 -6.696 1.00 0.00 C ATOM 403 CE LYS A 26 7.982 -13.551 -7.914 1.00 0.00 C ATOM 404 NZ LYS A 26 7.177 -13.718 -9.157 1.00 0.00 N ATOM 0 H LYS A 26 10.262 -11.320 -3.472 1.00 0.00 H new ATOM 0 HA LYS A 26 8.450 -13.495 -2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.241 -12.625 -4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.688 -12.154 -5.336 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.202 -14.489 -5.851 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.868 -15.041 -4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.854 -15.094 -6.935 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.424 -13.469 -6.438 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.191 -12.493 -7.756 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.943 -14.052 -8.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.699 -13.323 -9.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.998 -14.729 -9.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.271 -13.219 -9.053 1.00 0.00 H new ATOM 418 N ARG A 27 10.142 -15.219 -3.324 1.00 0.00 N ATOM 419 CA ARG A 27 11.229 -16.176 -3.492 1.00 0.00 C ATOM 420 C ARG A 27 10.756 -17.406 -4.262 1.00 0.00 C ATOM 421 O ARG A 27 9.702 -17.969 -3.966 1.00 0.00 O ATOM 422 CB ARG A 27 11.783 -16.595 -2.130 1.00 0.00 C ATOM 423 CG ARG A 27 11.931 -15.442 -1.151 1.00 0.00 C ATOM 424 CD ARG A 27 12.633 -15.880 0.125 1.00 0.00 C ATOM 425 NE ARG A 27 11.707 -16.480 1.081 1.00 0.00 N ATOM 426 CZ ARG A 27 10.852 -15.777 1.816 1.00 0.00 C ATOM 427 NH1 ARG A 27 10.806 -14.457 1.705 1.00 0.00 N ATOM 428 NH2 ARG A 27 10.041 -16.396 2.665 1.00 0.00 N ATOM 0 H ARG A 27 9.283 -15.619 -2.947 1.00 0.00 H new ATOM 0 HA ARG A 27 12.020 -15.692 -4.065 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.125 -17.347 -1.695 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.755 -17.067 -2.272 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.495 -14.636 -1.620 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.947 -15.042 -0.907 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.416 -16.597 -0.120 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.121 -15.020 0.584 1.00 0.00 H new ATOM 0 HE ARG A 27 11.717 -17.494 1.191 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.428 -13.978 1.054 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.148 -13.920 2.271 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.074 -17.412 2.753 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.385 -15.856 3.229 1.00 0.00 H new ATOM 442 N PHE A 28 11.543 -17.817 -5.250 1.00 0.00 N ATOM 443 CA PHE A 28 11.205 -18.980 -6.063 1.00 0.00 C ATOM 444 C PHE A 28 12.409 -19.904 -6.219 1.00 0.00 C ATOM 445 O PHE A 28 13.555 -19.476 -6.084 1.00 0.00 O ATOM 446 CB PHE A 28 10.706 -18.537 -7.441 1.00 0.00 C ATOM 447 CG PHE A 28 11.772 -17.905 -8.289 1.00 0.00 C ATOM 448 CD1 PHE A 28 12.568 -18.680 -9.118 1.00 0.00 C ATOM 449 CD2 PHE A 28 11.979 -16.535 -8.258 1.00 0.00 C ATOM 450 CE1 PHE A 28 13.549 -18.101 -9.900 1.00 0.00 C ATOM 451 CE2 PHE A 28 12.958 -15.950 -9.038 1.00 0.00 C ATOM 452 CZ PHE A 28 13.745 -16.734 -9.859 1.00 0.00 C ATOM 0 H PHE A 28 12.419 -17.363 -5.507 1.00 0.00 H new ATOM 0 HA PHE A 28 10.412 -19.529 -5.555 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.299 -19.401 -7.967 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.888 -17.828 -7.312 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.420 -19.749 -9.153 1.00 0.00 H new ATOM 0 HD2 PHE A 28 11.368 -15.917 -7.617 1.00 0.00 H new ATOM 0 HE1 PHE A 28 14.162 -18.716 -10.542 1.00 0.00 H new ATOM 0 HE2 PHE A 28 13.108 -14.881 -9.006 1.00 0.00 H new ATOM 0 HZ PHE A 28 14.512 -16.279 -10.468 1.00 0.00 H new ATOM 462 N TYR A 29 12.140 -21.174 -6.502 1.00 0.00 N ATOM 463 CA TYR A 29 13.200 -22.160 -6.672 1.00 0.00 C ATOM 464 C TYR A 29 13.044 -22.903 -7.996 1.00 0.00 C ATOM 465 O TYR A 29 11.939 -23.286 -8.380 1.00 0.00 O ATOM 466 CB TYR A 29 13.190 -23.155 -5.511 1.00 0.00 C ATOM 467 CG TYR A 29 14.561 -23.689 -5.160 1.00 0.00 C ATOM 468 CD1 TYR A 29 15.152 -24.694 -5.916 1.00 0.00 C ATOM 469 CD2 TYR A 29 15.265 -23.188 -4.073 1.00 0.00 C ATOM 470 CE1 TYR A 29 16.403 -25.185 -5.599 1.00 0.00 C ATOM 471 CE2 TYR A 29 16.518 -23.672 -3.748 1.00 0.00 C ATOM 472 CZ TYR A 29 17.082 -24.671 -4.514 1.00 0.00 C ATOM 473 OH TYR A 29 18.330 -25.156 -4.195 1.00 0.00 O ATOM 0 H TYR A 29 11.197 -21.544 -6.618 1.00 0.00 H new ATOM 0 HA TYR A 29 14.154 -21.634 -6.682 1.00 0.00 H new ATOM 0 HB2 TYR A 29 12.762 -22.672 -4.633 1.00 0.00 H new ATOM 0 HB3 TYR A 29 12.538 -23.991 -5.765 1.00 0.00 H new ATOM 0 HD1 TYR A 29 14.623 -25.098 -6.767 1.00 0.00 H new ATOM 0 HD2 TYR A 29 14.826 -22.406 -3.471 1.00 0.00 H new ATOM 0 HE1 TYR A 29 16.847 -25.967 -6.197 1.00 0.00 H new ATOM 0 HE2 TYR A 29 17.052 -23.271 -2.900 1.00 0.00 H new ATOM 0 HH TYR A 29 18.684 -25.671 -4.950 1.00 0.00 H new ATOM 483 N ASP A 30 14.160 -23.105 -8.688 1.00 0.00 N ATOM 484 CA ASP A 30 14.150 -23.804 -9.968 1.00 0.00 C ATOM 485 C ASP A 30 15.413 -24.643 -10.138 1.00 0.00 C ATOM 486 O ASP A 30 16.523 -24.112 -10.179 1.00 0.00 O ATOM 487 CB ASP A 30 14.028 -22.804 -11.118 1.00 0.00 C ATOM 488 CG ASP A 30 15.245 -21.909 -11.240 1.00 0.00 C ATOM 489 OD1 ASP A 30 15.567 -21.210 -10.257 1.00 0.00 O ATOM 490 OD2 ASP A 30 15.876 -21.907 -12.318 1.00 0.00 O ATOM 0 H ASP A 30 15.083 -22.795 -8.384 1.00 0.00 H new ATOM 0 HA ASP A 30 13.288 -24.471 -9.984 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.884 -23.346 -12.053 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.142 -22.188 -10.967 1.00 0.00 H new ATOM 495 N LYS A 31 15.236 -25.956 -10.237 1.00 0.00 N ATOM 496 CA LYS A 31 16.360 -26.869 -10.404 1.00 0.00 C ATOM 497 C LYS A 31 15.932 -28.128 -11.151 1.00 0.00 C ATOM 498 O LYS A 31 14.741 -28.400 -11.297 1.00 0.00 O ATOM 499 CB LYS A 31 16.944 -27.246 -9.040 1.00 0.00 C ATOM 500 CG LYS A 31 18.162 -26.426 -8.652 1.00 0.00 C ATOM 501 CD LYS A 31 18.995 -27.131 -7.595 1.00 0.00 C ATOM 502 CE LYS A 31 20.006 -28.079 -8.222 1.00 0.00 C ATOM 503 NZ LYS A 31 21.147 -28.357 -7.307 1.00 0.00 N ATOM 0 H LYS A 31 14.324 -26.412 -10.204 1.00 0.00 H new ATOM 0 HA LYS A 31 17.124 -26.361 -10.992 1.00 0.00 H new ATOM 0 HB2 LYS A 31 16.175 -27.121 -8.278 1.00 0.00 H new ATOM 0 HB3 LYS A 31 17.215 -28.302 -9.050 1.00 0.00 H new ATOM 0 HG2 LYS A 31 18.774 -26.241 -9.535 1.00 0.00 H new ATOM 0 HG3 LYS A 31 17.843 -25.454 -8.276 1.00 0.00 H new ATOM 0 HD2 LYS A 31 19.517 -26.391 -6.988 1.00 0.00 H new ATOM 0 HD3 LYS A 31 18.339 -27.688 -6.925 1.00 0.00 H new ATOM 0 HE2 LYS A 31 19.513 -29.016 -8.482 1.00 0.00 H new ATOM 0 HE3 LYS A 31 20.381 -27.648 -9.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 21.814 -29.007 -7.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 21.634 -27.467 -7.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 20.792 -28.792 -6.432 1.00 0.00 H new ATOM 517 N ASN A 32 16.912 -28.894 -11.621 1.00 0.00 N ATOM 518 CA ASN A 32 16.636 -30.125 -12.352 1.00 0.00 C ATOM 519 C ASN A 32 15.804 -31.085 -11.507 1.00 0.00 C ATOM 520 O ASN A 32 16.162 -31.397 -10.371 1.00 0.00 O ATOM 521 CB ASN A 32 17.944 -30.799 -12.770 1.00 0.00 C ATOM 522 CG ASN A 32 18.981 -30.786 -11.664 1.00 0.00 C ATOM 523 OD1 ASN A 32 19.057 -31.713 -10.858 1.00 0.00 O ATOM 524 ND2 ASN A 32 19.785 -29.730 -11.619 1.00 0.00 N ATOM 0 H ASN A 32 17.904 -28.684 -11.508 1.00 0.00 H new ATOM 0 HA ASN A 32 16.066 -29.867 -13.245 1.00 0.00 H new ATOM 0 HB2 ASN A 32 17.741 -31.829 -13.062 1.00 0.00 H new ATOM 0 HB3 ASN A 32 18.346 -30.292 -13.647 1.00 0.00 H new ATOM 0 HD21 ASN A 32 20.501 -29.665 -10.896 1.00 0.00 H new ATOM 0 HD22 ASN A 32 19.686 -28.984 -12.308 1.00 0.00 H new ATOM 531 N GLN A 33 14.693 -31.550 -12.069 1.00 0.00 N ATOM 532 CA GLN A 33 13.811 -32.474 -11.367 1.00 0.00 C ATOM 533 C GLN A 33 13.278 -31.848 -10.083 1.00 0.00 C ATOM 534 O GLN A 33 12.804 -32.550 -9.188 1.00 0.00 O ATOM 535 CB GLN A 33 14.551 -33.774 -11.046 1.00 0.00 C ATOM 536 CG GLN A 33 15.052 -34.509 -12.279 1.00 0.00 C ATOM 537 CD GLN A 33 13.979 -35.365 -12.924 1.00 0.00 C ATOM 538 OE1 GLN A 33 13.568 -36.386 -12.372 1.00 0.00 O ATOM 539 NE2 GLN A 33 13.520 -34.952 -14.100 1.00 0.00 N ATOM 0 H GLN A 33 14.383 -31.302 -13.008 1.00 0.00 H new ATOM 0 HA GLN A 33 12.966 -32.697 -12.019 1.00 0.00 H new ATOM 0 HB2 GLN A 33 15.398 -33.550 -10.398 1.00 0.00 H new ATOM 0 HB3 GLN A 33 13.886 -34.432 -10.486 1.00 0.00 H new ATOM 0 HG2 GLN A 33 15.419 -33.784 -13.006 1.00 0.00 H new ATOM 0 HG3 GLN A 33 15.897 -35.139 -12.003 1.00 0.00 H new ATOM 0 HE21 GLN A 33 13.889 -34.099 -14.521 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.798 -35.487 -14.582 1.00 0.00 H new ATOM 548 N LEU A 34 13.359 -30.525 -9.998 1.00 0.00 N ATOM 549 CA LEU A 34 12.885 -29.804 -8.822 1.00 0.00 C ATOM 550 C LEU A 34 11.629 -29.000 -9.145 1.00 0.00 C ATOM 551 O LEU A 34 10.785 -28.773 -8.280 1.00 0.00 O ATOM 552 CB LEU A 34 13.978 -28.873 -8.295 1.00 0.00 C ATOM 553 CG LEU A 34 13.731 -28.260 -6.916 1.00 0.00 C ATOM 554 CD1 LEU A 34 12.742 -27.109 -7.012 1.00 0.00 C ATOM 555 CD2 LEU A 34 13.228 -29.318 -5.945 1.00 0.00 C ATOM 0 H LEU A 34 13.748 -29.930 -10.729 1.00 0.00 H new ATOM 0 HA LEU A 34 12.638 -30.536 -8.053 1.00 0.00 H new ATOM 0 HB2 LEU A 34 14.915 -29.429 -8.261 1.00 0.00 H new ATOM 0 HB3 LEU A 34 14.114 -28.063 -9.011 1.00 0.00 H new ATOM 0 HG LEU A 34 14.676 -27.869 -6.539 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.579 -26.686 -6.021 1.00 0.00 H new ATOM 0 HD12 LEU A 34 13.141 -26.340 -7.674 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.796 -27.475 -7.410 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.058 -28.864 -4.969 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.294 -29.739 -6.317 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.972 -30.110 -5.852 1.00 0.00 H new ATOM 567 N GLY A 35 11.513 -28.573 -10.399 1.00 0.00 N ATOM 568 CA GLY A 35 10.356 -27.802 -10.816 1.00 0.00 C ATOM 569 C GLY A 35 10.503 -26.325 -10.506 1.00 0.00 C ATOM 570 O GLY A 35 11.412 -25.924 -9.780 1.00 0.00 O ATOM 0 H GLY A 35 12.199 -28.747 -11.133 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.203 -27.932 -11.887 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.467 -28.188 -10.318 1.00 0.00 H new ATOM 574 N TRP A 36 9.608 -25.515 -11.060 1.00 0.00 N ATOM 575 CA TRP A 36 9.643 -24.073 -10.840 1.00 0.00 C ATOM 576 C TRP A 36 8.524 -23.639 -9.899 1.00 0.00 C ATOM 577 O TRP A 36 7.348 -23.671 -10.262 1.00 0.00 O ATOM 578 CB TRP A 36 9.523 -23.331 -12.172 1.00 0.00 C ATOM 579 CG TRP A 36 9.540 -21.839 -12.024 1.00 0.00 C ATOM 580 CD1 TRP A 36 8.533 -21.052 -11.541 1.00 0.00 C ATOM 581 CD2 TRP A 36 10.615 -20.956 -12.363 1.00 0.00 C ATOM 582 NE1 TRP A 36 8.918 -19.733 -11.559 1.00 0.00 N ATOM 583 CE2 TRP A 36 10.191 -19.648 -12.058 1.00 0.00 C ATOM 584 CE3 TRP A 36 11.895 -21.144 -12.891 1.00 0.00 C ATOM 585 CZ2 TRP A 36 11.002 -18.536 -12.267 1.00 0.00 C ATOM 586 CZ3 TRP A 36 12.698 -20.039 -13.098 1.00 0.00 C ATOM 587 CH2 TRP A 36 12.250 -18.748 -12.786 1.00 0.00 C ATOM 0 H TRP A 36 8.850 -25.831 -11.664 1.00 0.00 H new ATOM 0 HA TRP A 36 10.598 -23.823 -10.378 1.00 0.00 H new ATOM 0 HB2 TRP A 36 10.343 -23.634 -12.824 1.00 0.00 H new ATOM 0 HB3 TRP A 36 8.597 -23.630 -12.664 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.576 -21.413 -11.196 1.00 0.00 H new ATOM 0 HE1 TRP A 36 8.348 -18.945 -11.251 1.00 0.00 H new ATOM 0 HE3 TRP A 36 12.250 -22.135 -13.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 10.658 -17.541 -12.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 13.688 -20.172 -13.507 1.00 0.00 H new ATOM 0 HH2 TRP A 36 12.902 -17.905 -12.959 1.00 0.00 H new ATOM 598 N ARG A 37 8.898 -23.233 -8.690 1.00 0.00 N ATOM 599 CA ARG A 37 7.925 -22.793 -7.697 1.00 0.00 C ATOM 600 C ARG A 37 8.284 -21.411 -7.160 1.00 0.00 C ATOM 601 O ARG A 37 9.435 -21.149 -6.812 1.00 0.00 O ATOM 602 CB ARG A 37 7.852 -23.797 -6.545 1.00 0.00 C ATOM 603 CG ARG A 37 9.212 -24.194 -5.995 1.00 0.00 C ATOM 604 CD ARG A 37 9.156 -24.444 -4.496 1.00 0.00 C ATOM 605 NE ARG A 37 8.399 -25.651 -4.171 1.00 0.00 N ATOM 606 CZ ARG A 37 8.033 -25.977 -2.937 1.00 0.00 C ATOM 607 NH1 ARG A 37 8.351 -25.192 -1.917 1.00 0.00 N ATOM 608 NH2 ARG A 37 7.346 -27.092 -2.721 1.00 0.00 N ATOM 0 H ARG A 37 9.867 -23.200 -8.375 1.00 0.00 H new ATOM 0 HA ARG A 37 6.950 -22.734 -8.181 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.255 -23.370 -5.740 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.333 -24.692 -6.887 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.562 -25.093 -6.502 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.935 -23.406 -6.207 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.170 -24.535 -4.105 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.700 -23.586 -4.002 1.00 0.00 H new ATOM 0 HE ARG A 37 8.138 -26.277 -4.933 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.879 -24.334 -2.079 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.068 -25.446 -0.971 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.099 -27.699 -3.503 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.065 -27.342 -1.773 1.00 0.00 H new ATOM 622 N ALA A 38 7.290 -20.530 -7.097 1.00 0.00 N ATOM 623 CA ALA A 38 7.501 -19.176 -6.601 1.00 0.00 C ATOM 624 C ALA A 38 6.507 -18.835 -5.496 1.00 0.00 C ATOM 625 O ALA A 38 5.391 -19.354 -5.472 1.00 0.00 O ATOM 626 CB ALA A 38 7.389 -18.174 -7.741 1.00 0.00 C ATOM 0 H ALA A 38 6.332 -20.730 -7.383 1.00 0.00 H new ATOM 0 HA ALA A 38 8.505 -19.122 -6.180 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.549 -17.166 -7.357 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.142 -18.398 -8.497 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.396 -18.239 -8.187 1.00 0.00 H new ATOM 632 N GLN A 39 6.920 -17.962 -4.583 1.00 0.00 N ATOM 633 CA GLN A 39 6.065 -17.554 -3.475 1.00 0.00 C ATOM 634 C GLN A 39 6.333 -16.104 -3.085 1.00 0.00 C ATOM 635 O GLN A 39 7.452 -15.748 -2.714 1.00 0.00 O ATOM 636 CB GLN A 39 6.288 -18.468 -2.269 1.00 0.00 C ATOM 637 CG GLN A 39 5.079 -18.572 -1.352 1.00 0.00 C ATOM 638 CD GLN A 39 3.823 -18.995 -2.088 1.00 0.00 C ATOM 639 OE1 GLN A 39 3.727 -20.121 -2.578 1.00 0.00 O ATOM 640 NE2 GLN A 39 2.852 -18.094 -2.169 1.00 0.00 N ATOM 0 H GLN A 39 7.841 -17.524 -4.589 1.00 0.00 H new ATOM 0 HA GLN A 39 5.028 -17.638 -3.800 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.552 -19.465 -2.623 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.138 -18.098 -1.695 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.290 -19.289 -0.559 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.907 -17.608 -0.873 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.975 -17.173 -1.748 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.983 -18.323 -2.652 1.00 0.00 H new ATOM 649 N ARG A 40 5.301 -15.273 -3.173 1.00 0.00 N ATOM 650 CA ARG A 40 5.426 -13.861 -2.831 1.00 0.00 C ATOM 651 C ARG A 40 4.875 -13.589 -1.434 1.00 0.00 C ATOM 652 O ARG A 40 4.100 -14.378 -0.897 1.00 0.00 O ATOM 653 CB ARG A 40 4.689 -12.999 -3.858 1.00 0.00 C ATOM 654 CG ARG A 40 5.040 -11.522 -3.777 1.00 0.00 C ATOM 655 CD ARG A 40 5.251 -10.923 -5.159 1.00 0.00 C ATOM 656 NE ARG A 40 6.628 -10.478 -5.358 1.00 0.00 N ATOM 657 CZ ARG A 40 7.186 -10.328 -6.554 1.00 0.00 C ATOM 658 NH1 ARG A 40 6.489 -10.586 -7.652 1.00 0.00 N ATOM 659 NH2 ARG A 40 8.444 -9.919 -6.654 1.00 0.00 N ATOM 0 H ARG A 40 4.369 -15.552 -3.478 1.00 0.00 H new ATOM 0 HA ARG A 40 6.485 -13.602 -2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.919 -13.364 -4.859 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.615 -13.117 -3.715 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.242 -10.985 -3.264 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.944 -11.394 -3.182 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.996 -11.663 -5.918 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.574 -10.080 -5.296 1.00 0.00 H new ATOM 0 HE ARG A 40 7.192 -10.271 -4.534 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.521 -10.901 -7.580 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.920 -10.470 -8.569 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.984 -9.719 -5.812 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.871 -9.804 -7.573 1.00 0.00 H new ATOM 673 N GLY A 41 5.284 -12.466 -0.851 1.00 0.00 N ATOM 674 CA GLY A 41 4.823 -12.110 0.478 1.00 0.00 C ATOM 675 C GLY A 41 5.145 -10.673 0.839 1.00 0.00 C ATOM 676 O GLY A 41 5.945 -10.021 0.167 1.00 0.00 O ATOM 0 H GLY A 41 5.926 -11.797 -1.275 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.746 -12.264 0.539 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.282 -12.776 1.209 1.00 0.00 H new ATOM 680 N CYS A 42 4.520 -10.177 1.901 1.00 0.00 N ATOM 681 CA CYS A 42 4.742 -8.808 2.349 1.00 0.00 C ATOM 682 C CYS A 42 5.598 -8.781 3.612 1.00 0.00 C ATOM 683 O CYS A 42 5.694 -9.775 4.331 1.00 0.00 O ATOM 684 CB CYS A 42 3.405 -8.111 2.611 1.00 0.00 C ATOM 685 SG CYS A 42 2.815 -7.090 1.223 1.00 0.00 S ATOM 0 H CYS A 42 3.855 -10.703 2.468 1.00 0.00 H new ATOM 0 HA CYS A 42 5.273 -8.276 1.560 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.652 -8.866 2.839 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.503 -7.481 3.495 1.00 0.00 H new ATOM 690 N ALA A 43 6.218 -7.635 3.876 1.00 0.00 N ATOM 691 CA ALA A 43 7.063 -7.477 5.053 1.00 0.00 C ATOM 692 C ALA A 43 7.572 -6.045 5.175 1.00 0.00 C ATOM 693 O ALA A 43 7.101 -5.146 4.478 1.00 0.00 O ATOM 694 CB ALA A 43 8.231 -8.451 4.998 1.00 0.00 C ATOM 0 H ALA A 43 6.151 -6.803 3.290 1.00 0.00 H new ATOM 0 HA ALA A 43 6.461 -7.697 5.935 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.854 -8.322 5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.852 -9.472 4.967 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.825 -8.257 4.105 1.00 0.00 H new ATOM 700 N VAL A 44 8.537 -5.839 6.066 1.00 0.00 N ATOM 701 CA VAL A 44 9.110 -4.515 6.279 1.00 0.00 C ATOM 702 C VAL A 44 10.627 -4.541 6.125 1.00 0.00 C ATOM 703 O VAL A 44 11.298 -3.527 6.313 1.00 0.00 O ATOM 704 CB VAL A 44 8.757 -3.969 7.675 1.00 0.00 C ATOM 705 CG1 VAL A 44 7.349 -3.393 7.683 1.00 0.00 C ATOM 706 CG2 VAL A 44 8.901 -5.060 8.726 1.00 0.00 C ATOM 0 H VAL A 44 8.938 -6.572 6.652 1.00 0.00 H new ATOM 0 HA VAL A 44 8.682 -3.859 5.521 1.00 0.00 H new ATOM 0 HB VAL A 44 9.454 -3.167 7.919 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.117 -3.012 8.678 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.284 -2.581 6.959 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.635 -4.173 7.418 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.648 -4.657 9.706 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.229 -5.885 8.488 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.929 -5.421 8.737 1.00 0.00 H new ATOM 716 N SER A 45 11.161 -5.709 5.781 1.00 0.00 N ATOM 717 CA SER A 45 12.599 -5.869 5.604 1.00 0.00 C ATOM 718 C SER A 45 12.904 -7.007 4.635 1.00 0.00 C ATOM 719 O SER A 45 12.161 -7.985 4.553 1.00 0.00 O ATOM 720 CB SER A 45 13.273 -6.137 6.951 1.00 0.00 C ATOM 721 OG SER A 45 12.636 -5.418 7.993 1.00 0.00 O ATOM 0 H SER A 45 10.619 -6.558 5.619 1.00 0.00 H new ATOM 0 HA SER A 45 12.994 -4.943 5.186 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.243 -7.204 7.170 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.324 -5.852 6.898 1.00 0.00 H new ATOM 0 HG SER A 45 13.085 -5.608 8.843 1.00 0.00 H new ATOM 727 N CYS A 46 14.004 -6.872 3.901 1.00 0.00 N ATOM 728 CA CYS A 46 14.409 -7.886 2.936 1.00 0.00 C ATOM 729 C CYS A 46 14.943 -9.128 3.644 1.00 0.00 C ATOM 730 O CYS A 46 15.980 -9.097 4.308 1.00 0.00 O ATOM 731 CB CYS A 46 15.475 -7.326 1.993 1.00 0.00 C ATOM 732 SG CYS A 46 15.639 -8.242 0.427 1.00 0.00 S ATOM 0 H CYS A 46 14.631 -6.069 3.957 1.00 0.00 H new ATOM 0 HA CYS A 46 13.532 -8.169 2.355 1.00 0.00 H new ATOM 0 HB2 CYS A 46 15.237 -6.286 1.770 1.00 0.00 H new ATOM 0 HB3 CYS A 46 16.437 -7.330 2.506 1.00 0.00 H new ATOM 737 N PRO A 47 14.220 -10.248 3.500 1.00 0.00 N ATOM 738 CA PRO A 47 14.601 -11.522 4.118 1.00 0.00 C ATOM 739 C PRO A 47 15.846 -12.127 3.477 1.00 0.00 C ATOM 740 O PRO A 47 16.330 -11.640 2.455 1.00 0.00 O ATOM 741 CB PRO A 47 13.383 -12.415 3.869 1.00 0.00 C ATOM 742 CG PRO A 47 12.733 -11.841 2.658 1.00 0.00 C ATOM 743 CD PRO A 47 12.974 -10.358 2.723 1.00 0.00 C ATOM 0 HA PRO A 47 14.852 -11.405 5.172 1.00 0.00 H new ATOM 0 HB2 PRO A 47 13.679 -13.451 3.706 1.00 0.00 H new ATOM 0 HB3 PRO A 47 12.706 -12.408 4.723 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.158 -12.266 1.749 1.00 0.00 H new ATOM 0 HG3 PRO A 47 11.666 -12.063 2.645 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.081 -9.924 1.729 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.149 -9.838 3.210 1.00 0.00 H new ATOM 751 N LYS A 48 16.360 -13.191 4.084 1.00 0.00 N ATOM 752 CA LYS A 48 17.548 -13.865 3.573 1.00 0.00 C ATOM 753 C LYS A 48 17.185 -15.211 2.953 1.00 0.00 C ATOM 754 O LYS A 48 16.156 -15.800 3.283 1.00 0.00 O ATOM 755 CB LYS A 48 18.568 -14.066 4.695 1.00 0.00 C ATOM 756 CG LYS A 48 18.569 -12.948 5.724 1.00 0.00 C ATOM 757 CD LYS A 48 18.760 -11.590 5.071 1.00 0.00 C ATOM 758 CE LYS A 48 19.313 -10.571 6.055 1.00 0.00 C ATOM 759 NZ LYS A 48 20.781 -10.379 5.889 1.00 0.00 N ATOM 0 H LYS A 48 15.972 -13.606 4.931 1.00 0.00 H new ATOM 0 HA LYS A 48 17.988 -13.236 2.800 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.361 -15.011 5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.564 -14.148 4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.629 -12.959 6.275 1.00 0.00 H new ATOM 0 HG3 LYS A 48 19.365 -13.120 6.448 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.439 -11.685 4.224 1.00 0.00 H new ATOM 0 HD3 LYS A 48 17.807 -11.237 4.677 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.804 -9.617 5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.102 -10.898 7.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 21.119 -9.677 6.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 21.270 -11.283 6.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.980 -10.042 4.925 1.00 0.00 H new ATOM 773 N ALA A 49 18.038 -15.692 2.055 1.00 0.00 N ATOM 774 CA ALA A 49 17.809 -16.970 1.392 1.00 0.00 C ATOM 775 C ALA A 49 19.114 -17.556 0.864 1.00 0.00 C ATOM 776 O ALA A 49 20.080 -16.832 0.625 1.00 0.00 O ATOM 777 CB ALA A 49 16.806 -16.806 0.261 1.00 0.00 C ATOM 0 H ALA A 49 18.894 -15.216 1.770 1.00 0.00 H new ATOM 0 HA ALA A 49 17.401 -17.664 2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.645 -17.768 -0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.861 -16.440 0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 49 17.192 -16.092 -0.467 1.00 0.00 H new ATOM 783 N LYS A 50 19.136 -18.872 0.684 1.00 0.00 N ATOM 784 CA LYS A 50 20.322 -19.557 0.183 1.00 0.00 C ATOM 785 C LYS A 50 20.672 -19.081 -1.223 1.00 0.00 C ATOM 786 O LYS A 50 19.824 -18.586 -1.966 1.00 0.00 O ATOM 787 CB LYS A 50 20.099 -21.071 0.180 1.00 0.00 C ATOM 788 CG LYS A 50 18.777 -21.489 -0.441 1.00 0.00 C ATOM 789 CD LYS A 50 18.676 -23.000 -0.571 1.00 0.00 C ATOM 790 CE LYS A 50 18.765 -23.684 0.785 1.00 0.00 C ATOM 791 NZ LYS A 50 18.237 -25.076 0.739 1.00 0.00 N ATOM 0 H LYS A 50 18.345 -19.486 0.878 1.00 0.00 H new ATOM 0 HA LYS A 50 21.155 -19.320 0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 50 20.914 -21.549 -0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.142 -21.438 1.205 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.954 -21.119 0.170 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.675 -21.030 -1.425 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.733 -23.263 -1.051 1.00 0.00 H new ATOM 0 HD3 LYS A 50 19.475 -23.365 -1.217 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.803 -23.700 1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 50 18.205 -23.107 1.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.315 -25.508 1.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.239 -25.059 0.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.788 -25.634 0.056 1.00 0.00 H new ATOM 805 N PRO A 51 21.950 -19.234 -1.600 1.00 0.00 N ATOM 806 CA PRO A 51 22.440 -18.827 -2.920 1.00 0.00 C ATOM 807 C PRO A 51 21.903 -19.715 -4.037 1.00 0.00 C ATOM 808 O PRO A 51 22.040 -19.396 -5.217 1.00 0.00 O ATOM 809 CB PRO A 51 23.958 -18.982 -2.798 1.00 0.00 C ATOM 810 CG PRO A 51 24.150 -20.007 -1.734 1.00 0.00 C ATOM 811 CD PRO A 51 23.015 -19.816 -0.766 1.00 0.00 C ATOM 0 HA PRO A 51 22.120 -17.818 -3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 51 24.400 -19.303 -3.741 1.00 0.00 H new ATOM 0 HB3 PRO A 51 24.432 -18.038 -2.529 1.00 0.00 H new ATOM 0 HG2 PRO A 51 24.139 -21.013 -2.154 1.00 0.00 H new ATOM 0 HG3 PRO A 51 25.112 -19.879 -1.238 1.00 0.00 H new ATOM 0 HD2 PRO A 51 22.705 -20.761 -0.319 1.00 0.00 H new ATOM 0 HD3 PRO A 51 23.292 -19.152 0.053 1.00 0.00 H new ATOM 819 N ASN A 52 21.289 -20.831 -3.656 1.00 0.00 N ATOM 820 CA ASN A 52 20.730 -21.765 -4.626 1.00 0.00 C ATOM 821 C ASN A 52 19.374 -21.281 -5.130 1.00 0.00 C ATOM 822 O ASN A 52 19.052 -21.424 -6.309 1.00 0.00 O ATOM 823 CB ASN A 52 20.588 -23.156 -4.003 1.00 0.00 C ATOM 824 CG ASN A 52 21.927 -23.762 -3.629 1.00 0.00 C ATOM 825 OD1 ASN A 52 22.498 -24.547 -4.386 1.00 0.00 O ATOM 826 ND2 ASN A 52 22.433 -23.399 -2.456 1.00 0.00 N ATOM 0 H ASN A 52 21.166 -21.110 -2.683 1.00 0.00 H new ATOM 0 HA ASN A 52 21.413 -21.821 -5.473 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.961 -23.090 -3.114 1.00 0.00 H new ATOM 0 HB3 ASN A 52 20.077 -23.815 -4.705 1.00 0.00 H new ATOM 0 HD21 ASN A 52 23.331 -23.774 -2.150 1.00 0.00 H new ATOM 0 HD22 ASN A 52 21.924 -22.745 -1.861 1.00 0.00 H new ATOM 833 N GLU A 53 18.585 -20.705 -4.228 1.00 0.00 N ATOM 834 CA GLU A 53 17.264 -20.199 -4.582 1.00 0.00 C ATOM 835 C GLU A 53 17.349 -18.762 -5.086 1.00 0.00 C ATOM 836 O GLU A 53 18.436 -18.193 -5.197 1.00 0.00 O ATOM 837 CB GLU A 53 16.325 -20.274 -3.376 1.00 0.00 C ATOM 838 CG GLU A 53 16.557 -19.173 -2.355 1.00 0.00 C ATOM 839 CD GLU A 53 15.618 -19.271 -1.168 1.00 0.00 C ATOM 840 OE1 GLU A 53 14.470 -18.791 -1.279 1.00 0.00 O ATOM 841 OE2 GLU A 53 16.031 -19.827 -0.129 1.00 0.00 O ATOM 0 H GLU A 53 18.837 -20.577 -3.248 1.00 0.00 H new ATOM 0 HA GLU A 53 16.866 -20.823 -5.382 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.294 -20.223 -3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.449 -21.241 -2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.588 -19.220 -2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.428 -18.203 -2.836 1.00 0.00 H new ATOM 848 N THR A 54 16.194 -18.178 -5.391 1.00 0.00 N ATOM 849 CA THR A 54 16.136 -16.808 -5.885 1.00 0.00 C ATOM 850 C THR A 54 15.152 -15.972 -5.074 1.00 0.00 C ATOM 851 O THR A 54 14.053 -16.425 -4.756 1.00 0.00 O ATOM 852 CB THR A 54 15.730 -16.762 -7.370 1.00 0.00 C ATOM 853 OG1 THR A 54 16.521 -17.688 -8.123 1.00 0.00 O ATOM 854 CG2 THR A 54 15.904 -15.361 -7.936 1.00 0.00 C ATOM 0 H THR A 54 15.285 -18.633 -5.304 1.00 0.00 H new ATOM 0 HA THR A 54 17.137 -16.391 -5.777 1.00 0.00 H new ATOM 0 HB THR A 54 14.678 -17.038 -7.445 1.00 0.00 H new ATOM 0 HG1 THR A 54 15.973 -18.087 -8.830 1.00 0.00 H new ATOM 0 HG21 THR A 54 15.611 -15.354 -8.986 1.00 0.00 H new ATOM 0 HG22 THR A 54 15.278 -14.663 -7.380 1.00 0.00 H new ATOM 0 HG23 THR A 54 16.948 -15.060 -7.849 1.00 0.00 H new ATOM 862 N VAL A 55 15.553 -14.749 -4.744 1.00 0.00 N ATOM 863 CA VAL A 55 14.705 -13.849 -3.972 1.00 0.00 C ATOM 864 C VAL A 55 14.721 -12.441 -4.558 1.00 0.00 C ATOM 865 O VAL A 55 15.751 -11.971 -5.039 1.00 0.00 O ATOM 866 CB VAL A 55 15.150 -13.784 -2.498 1.00 0.00 C ATOM 867 CG1 VAL A 55 14.306 -12.779 -1.729 1.00 0.00 C ATOM 868 CG2 VAL A 55 15.070 -15.162 -1.858 1.00 0.00 C ATOM 0 H VAL A 55 16.460 -14.358 -4.999 1.00 0.00 H new ATOM 0 HA VAL A 55 13.692 -14.249 -4.021 1.00 0.00 H new ATOM 0 HB VAL A 55 16.187 -13.452 -2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.635 -12.747 -0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.419 -11.791 -2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.258 -13.078 -1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 55 15.388 -15.099 -0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 55 14.043 -15.525 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 55 15.722 -15.851 -2.395 1.00 0.00 H new ATOM 878 N GLN A 56 13.572 -11.775 -4.513 1.00 0.00 N ATOM 879 CA GLN A 56 13.454 -10.421 -5.040 1.00 0.00 C ATOM 880 C GLN A 56 12.569 -9.562 -4.142 1.00 0.00 C ATOM 881 O GLN A 56 11.349 -9.729 -4.112 1.00 0.00 O ATOM 882 CB GLN A 56 12.883 -10.451 -6.459 1.00 0.00 C ATOM 883 CG GLN A 56 11.633 -11.305 -6.594 1.00 0.00 C ATOM 884 CD GLN A 56 11.898 -12.621 -7.298 1.00 0.00 C ATOM 885 OE1 GLN A 56 11.565 -12.789 -8.471 1.00 0.00 O ATOM 886 NE2 GLN A 56 12.500 -13.564 -6.582 1.00 0.00 N ATOM 0 H GLN A 56 12.710 -12.151 -4.117 1.00 0.00 H new ATOM 0 HA GLN A 56 14.451 -9.981 -5.066 1.00 0.00 H new ATOM 0 HB2 GLN A 56 12.652 -9.432 -6.770 1.00 0.00 H new ATOM 0 HB3 GLN A 56 13.646 -10.828 -7.141 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.224 -11.503 -5.603 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.875 -10.748 -7.146 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.759 -13.381 -5.612 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.704 -14.471 -7.002 1.00 0.00 H new ATOM 895 N CYS A 57 13.191 -8.643 -3.411 1.00 0.00 N ATOM 896 CA CYS A 57 12.461 -7.759 -2.511 1.00 0.00 C ATOM 897 C CYS A 57 12.458 -6.327 -3.040 1.00 0.00 C ATOM 898 O CYS A 57 13.456 -5.851 -3.582 1.00 0.00 O ATOM 899 CB CYS A 57 13.081 -7.796 -1.112 1.00 0.00 C ATOM 900 SG CYS A 57 14.712 -6.992 -1.000 1.00 0.00 S ATOM 0 H CYS A 57 14.200 -8.491 -3.425 1.00 0.00 H new ATOM 0 HA CYS A 57 11.430 -8.109 -2.454 1.00 0.00 H new ATOM 0 HB2 CYS A 57 12.400 -7.312 -0.412 1.00 0.00 H new ATOM 0 HB3 CYS A 57 13.177 -8.835 -0.796 1.00 0.00 H new ATOM 905 N CYS A 58 11.329 -5.646 -2.878 1.00 0.00 N ATOM 906 CA CYS A 58 11.193 -4.269 -3.338 1.00 0.00 C ATOM 907 C CYS A 58 10.533 -3.401 -2.271 1.00 0.00 C ATOM 908 O CYS A 58 9.644 -3.855 -1.550 1.00 0.00 O ATOM 909 CB CYS A 58 10.375 -4.219 -4.630 1.00 0.00 C ATOM 910 SG CYS A 58 11.349 -3.799 -6.111 1.00 0.00 S ATOM 0 H CYS A 58 10.494 -6.025 -2.431 1.00 0.00 H new ATOM 0 HA CYS A 58 12.191 -3.877 -3.533 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.899 -5.188 -4.784 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.576 -3.486 -4.514 1.00 0.00 H new ATOM 915 N SER A 59 10.973 -2.151 -2.177 1.00 0.00 N ATOM 916 CA SER A 59 10.428 -1.220 -1.196 1.00 0.00 C ATOM 917 C SER A 59 9.994 0.081 -1.865 1.00 0.00 C ATOM 918 O SER A 59 10.328 1.173 -1.403 1.00 0.00 O ATOM 919 CB SER A 59 11.464 -0.926 -0.109 1.00 0.00 C ATOM 920 OG SER A 59 12.673 -0.448 -0.673 1.00 0.00 O ATOM 0 H SER A 59 11.706 -1.759 -2.768 1.00 0.00 H new ATOM 0 HA SER A 59 9.554 -1.683 -0.739 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.066 -0.187 0.587 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.660 -1.831 0.466 1.00 0.00 H new ATOM 0 HG SER A 59 13.318 -0.266 0.042 1.00 0.00 H new ATOM 926 N THR A 60 9.245 -0.043 -2.956 1.00 0.00 N ATOM 927 CA THR A 60 8.765 1.121 -3.690 1.00 0.00 C ATOM 928 C THR A 60 7.539 0.776 -4.528 1.00 0.00 C ATOM 929 O THR A 60 7.307 -0.388 -4.855 1.00 0.00 O ATOM 930 CB THR A 60 9.858 1.694 -4.612 1.00 0.00 C ATOM 931 OG1 THR A 60 10.961 0.784 -4.688 1.00 0.00 O ATOM 932 CG2 THR A 60 10.341 3.044 -4.104 1.00 0.00 C ATOM 0 H THR A 60 8.958 -0.938 -3.351 1.00 0.00 H new ATOM 0 HA THR A 60 8.495 1.873 -2.948 1.00 0.00 H new ATOM 0 HB THR A 60 9.431 1.830 -5.606 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.651 1.155 -5.277 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.112 3.429 -4.771 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.505 3.742 -4.075 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.753 2.929 -3.101 1.00 0.00 H new ATOM 940 N ASP A 61 6.757 1.793 -4.872 1.00 0.00 N ATOM 941 CA ASP A 61 5.555 1.597 -5.674 1.00 0.00 C ATOM 942 C ASP A 61 5.914 1.231 -7.110 1.00 0.00 C ATOM 943 O ASP A 61 6.788 1.847 -7.720 1.00 0.00 O ATOM 944 CB ASP A 61 4.693 2.860 -5.656 1.00 0.00 C ATOM 945 CG ASP A 61 5.246 3.951 -6.553 1.00 0.00 C ATOM 946 OD1 ASP A 61 6.475 4.172 -6.531 1.00 0.00 O ATOM 947 OD2 ASP A 61 4.450 4.583 -7.278 1.00 0.00 O ATOM 0 H ASP A 61 6.934 2.762 -4.608 1.00 0.00 H new ATOM 0 HA ASP A 61 4.988 0.774 -5.240 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.681 2.610 -5.974 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.623 3.234 -4.635 1.00 0.00 H new ATOM 952 N LYS A 62 5.234 0.222 -7.646 1.00 0.00 N ATOM 953 CA LYS A 62 5.480 -0.227 -9.011 1.00 0.00 C ATOM 954 C LYS A 62 6.893 -0.784 -9.154 1.00 0.00 C ATOM 955 O LYS A 62 7.397 -0.949 -10.266 1.00 0.00 O ATOM 956 CB LYS A 62 5.273 0.926 -9.995 1.00 0.00 C ATOM 957 CG LYS A 62 3.986 0.819 -10.795 1.00 0.00 C ATOM 958 CD LYS A 62 3.263 2.153 -10.871 1.00 0.00 C ATOM 959 CE LYS A 62 3.824 3.029 -11.981 1.00 0.00 C ATOM 960 NZ LYS A 62 3.461 2.512 -13.330 1.00 0.00 N ATOM 0 H LYS A 62 4.508 -0.300 -7.155 1.00 0.00 H new ATOM 0 HA LYS A 62 4.770 -1.022 -9.239 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.272 1.867 -9.444 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.117 0.961 -10.684 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.211 0.468 -11.802 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.333 0.076 -10.337 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.200 1.983 -11.043 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.353 2.672 -9.916 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.447 4.045 -11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.909 3.080 -11.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.568 3.271 -14.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.087 1.719 -13.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.474 2.185 -13.322 1.00 0.00 H new ATOM 974 N CYS A 63 7.528 -1.073 -8.023 1.00 0.00 N ATOM 975 CA CYS A 63 8.883 -1.612 -8.022 1.00 0.00 C ATOM 976 C CYS A 63 8.862 -3.134 -8.126 1.00 0.00 C ATOM 977 O CYS A 63 9.544 -3.718 -8.967 1.00 0.00 O ATOM 978 CB CYS A 63 9.622 -1.186 -6.752 1.00 0.00 C ATOM 979 SG CYS A 63 11.283 -1.914 -6.580 1.00 0.00 S ATOM 0 H CYS A 63 7.126 -0.943 -7.095 1.00 0.00 H new ATOM 0 HA CYS A 63 9.408 -1.213 -8.890 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.710 -0.100 -6.743 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.023 -1.465 -5.885 1.00 0.00 H new ATOM 984 N ASN A 64 8.074 -3.770 -7.265 1.00 0.00 N ATOM 985 CA ASN A 64 7.965 -5.224 -7.260 1.00 0.00 C ATOM 986 C ASN A 64 7.684 -5.754 -8.663 1.00 0.00 C ATOM 987 O ASN A 64 6.600 -5.552 -9.210 1.00 0.00 O ATOM 988 CB ASN A 64 6.856 -5.670 -6.304 1.00 0.00 C ATOM 989 CG ASN A 64 7.228 -6.920 -5.530 1.00 0.00 C ATOM 990 OD1 ASN A 64 8.407 -7.217 -5.339 1.00 0.00 O ATOM 991 ND2 ASN A 64 6.220 -7.659 -5.081 1.00 0.00 N ATOM 0 H ASN A 64 7.502 -3.302 -6.562 1.00 0.00 H new ATOM 0 HA ASN A 64 8.916 -5.633 -6.920 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.638 -4.864 -5.604 1.00 0.00 H new ATOM 0 HB3 ASN A 64 5.944 -5.855 -6.871 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.408 -8.512 -4.554 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.258 -7.374 -5.263 1.00 0.00 H new ATOM 998 N LYS A 65 8.669 -6.434 -9.241 1.00 0.00 N ATOM 999 CA LYS A 65 8.529 -6.995 -10.579 1.00 0.00 C ATOM 1000 C LYS A 65 8.711 -8.509 -10.556 1.00 0.00 C ATOM 1001 O LYS A 65 9.318 -9.057 -9.635 1.00 0.00 O ATOM 1002 CB LYS A 65 9.549 -6.363 -11.529 1.00 0.00 C ATOM 1003 CG LYS A 65 10.992 -6.650 -11.150 1.00 0.00 C ATOM 1004 CD LYS A 65 11.565 -7.795 -11.968 1.00 0.00 C ATOM 1005 CE LYS A 65 13.002 -7.519 -12.383 1.00 0.00 C ATOM 1006 NZ LYS A 65 13.918 -7.466 -11.210 1.00 0.00 N ATOM 0 H LYS A 65 9.573 -6.610 -8.803 1.00 0.00 H new ATOM 0 HA LYS A 65 7.523 -6.773 -10.935 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.368 -6.729 -12.539 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.395 -5.284 -11.549 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.595 -5.755 -11.303 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.049 -6.895 -10.089 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.524 -8.716 -11.386 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.952 -7.951 -12.856 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.337 -8.296 -13.070 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.049 -6.573 -12.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.887 -7.276 -11.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.614 -6.708 -10.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.893 -8.377 -10.709 1.00 0.00 H new TER 1020 LYS A 65