USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 534 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 NoAdj-H: A 17 HIS HE2 : A 17 HIS NE2 : A 101 HEMFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 102 HEMFE :(H bumps) USER MOD NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 101 HEMFE :(H bumps) USER MOD NoAdj-H: A 47 HIS HE2 : A 47 HIS NE2 : A 103 HEMFE :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 102 HEMFE :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 103 HEMFE :(H bumps) USER MOD Set 1.1: A 10 ASN : amide:sc= -3.97! C(o=-4.7!,f=-7.2!) USER MOD Set 1.2: A 103 HEM CMA :methyl 150:sc= -0.748 (180deg=-0.0738) USER MOD Single : A 1 ALA N :NH3+ -128:sc= 0.105 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -5.73! C(o=-5.7!,f=-8.3!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -159:sc= 0.0174 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 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 101 HEM CMA :methyl -30:sc= -0.0502 (180deg=-0.212) USER MOD Single : A 101 HEM CMB :methyl -30:sc= -0.554 (180deg=-2.78!) USER MOD Single : A 101 HEM CMC :methyl -30:sc= -3.41! (180deg=-3.41!) USER MOD Single : A 101 HEM CMD :methyl 150:sc= -2.22 (180deg=-2.22) USER MOD Single : A 102 HEM CMA :methyl 150:sc= -0.125 (180deg=-0.125) USER MOD Single : A 102 HEM CMB :methyl 150:sc= -5.59! (180deg=-5.59!) USER MOD Single : A 102 HEM CMC :methyl 150:sc= -10.1! (180deg=-10.1!) USER MOD Single : A 102 HEM CMD :methyl -30:sc= -6.78! (180deg=-10.8!) USER MOD Single : A 103 HEM CMB :methyl -30:sc= -0.296 (180deg=-1.79) USER MOD Single : A 103 HEM CMC :methyl -30:sc= -4.58! (180deg=-5.89!) USER MOD Single : A 103 HEM CMD :methyl 150:sc= -8.03! (180deg=-8.03!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.428 10.915 -1.811 1.00 1.00 N ATOM 2 CA ALA A 1 -11.095 10.615 -3.194 1.00 1.00 C ATOM 3 C ALA A 1 -10.301 9.309 -3.251 1.00 1.00 C ATOM 4 O ALA A 1 -10.393 8.482 -2.345 1.00 1.00 O ATOM 5 CB ALA A 1 -10.328 11.791 -3.801 1.00 1.00 C ATOM 0 H1 ALA A 1 -12.450 11.092 -1.730 1.00 1.00 H new ATOM 0 H2 ALA A 1 -11.168 10.108 -1.208 1.00 1.00 H new ATOM 0 H3 ALA A 1 -10.905 11.760 -1.503 1.00 1.00 H new ATOM 0 HA ALA A 1 -12.000 10.476 -3.785 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -10.078 11.566 -4.838 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -10.947 12.687 -3.763 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -9.412 11.959 -3.235 1.00 1.00 H new ATOM 11 N ASP A 2 -9.540 9.163 -4.326 1.00 1.00 N ATOM 12 CA ASP A 2 -8.730 7.971 -4.513 1.00 1.00 C ATOM 13 C ASP A 2 -8.075 7.591 -3.184 1.00 1.00 C ATOM 14 O ASP A 2 -8.059 6.419 -2.809 1.00 1.00 O ATOM 15 CB ASP A 2 -7.618 8.216 -5.535 1.00 1.00 C ATOM 16 CG ASP A 2 -7.757 7.433 -6.842 1.00 1.00 C ATOM 17 OD1 ASP A 2 -7.710 8.008 -7.940 1.00 1.00 O ATOM 18 OD2 ASP A 2 -7.923 6.161 -6.700 1.00 1.00 O ATOM 0 H ASP A 2 -9.467 9.850 -5.076 1.00 1.00 H new ATOM 0 HA ASP A 2 -9.381 7.174 -4.872 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -7.587 9.280 -5.768 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -6.662 7.962 -5.077 1.00 1.00 H new ATOM 24 N ASP A 3 -7.550 8.602 -2.508 1.00 1.00 N ATOM 25 CA ASP A 3 -6.895 8.389 -1.229 1.00 1.00 C ATOM 26 C ASP A 3 -7.676 7.344 -0.430 1.00 1.00 C ATOM 27 O ASP A 3 -8.862 7.525 -0.157 1.00 1.00 O ATOM 28 CB ASP A 3 -6.855 9.679 -0.408 1.00 1.00 C ATOM 29 CG ASP A 3 -6.576 9.488 1.084 1.00 1.00 C ATOM 30 OD1 ASP A 3 -5.762 8.639 1.478 1.00 1.00 O ATOM 31 OD2 ASP A 3 -7.242 10.267 1.867 1.00 1.00 O ATOM 0 H ASP A 3 -7.565 9.572 -2.823 1.00 1.00 H new ATOM 0 HA ASP A 3 -5.876 8.055 -1.424 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -6.089 10.333 -0.825 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -7.809 10.193 -0.521 1.00 1.00 H new ATOM 37 N ILE A 4 -6.980 6.273 -0.076 1.00 1.00 N ATOM 38 CA ILE A 4 -7.594 5.200 0.687 1.00 1.00 C ATOM 39 C ILE A 4 -6.905 5.089 2.048 1.00 1.00 C ATOM 40 O ILE A 4 -5.779 4.602 2.140 1.00 1.00 O ATOM 41 CB ILE A 4 -7.583 3.898 -0.116 1.00 1.00 C ATOM 42 CG1 ILE A 4 -8.824 3.790 -1.004 1.00 1.00 C ATOM 43 CG2 ILE A 4 -7.430 2.686 0.805 1.00 1.00 C ATOM 44 CD1 ILE A 4 -8.904 2.416 -1.672 1.00 1.00 C ATOM 0 H ILE A 4 -5.997 6.126 -0.304 1.00 1.00 H new ATOM 0 HA ILE A 4 -8.644 5.421 0.878 1.00 1.00 H new ATOM 0 HB ILE A 4 -6.716 3.912 -0.776 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -9.719 3.960 -0.406 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -8.798 4.568 -1.767 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -7.425 1.774 0.208 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -6.493 2.764 1.356 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -8.263 2.656 1.508 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -9.796 2.367 -2.297 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -8.019 2.259 -2.289 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -8.954 1.642 -0.907 1.00 1.00 H new ATOM 56 N VAL A 5 -7.609 5.548 3.072 1.00 1.00 N ATOM 57 CA VAL A 5 -7.079 5.506 4.424 1.00 1.00 C ATOM 58 C VAL A 5 -7.326 4.120 5.021 1.00 1.00 C ATOM 59 O VAL A 5 -8.445 3.612 4.980 1.00 1.00 O ATOM 60 CB VAL A 5 -7.688 6.634 5.260 1.00 1.00 C ATOM 61 CG1 VAL A 5 -6.863 6.887 6.523 1.00 1.00 C ATOM 62 CG2 VAL A 5 -7.831 7.914 4.433 1.00 1.00 C ATOM 0 H VAL A 5 -8.543 5.951 2.992 1.00 1.00 H new ATOM 0 HA VAL A 5 -6.001 5.670 4.417 1.00 1.00 H new ATOM 0 HB VAL A 5 -8.686 6.321 5.568 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -7.317 7.693 7.099 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -6.835 5.980 7.127 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -5.848 7.168 6.244 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -8.266 8.700 5.051 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -6.849 8.231 4.081 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -8.479 7.724 3.578 1.00 1.00 H new ATOM 72 N LEU A 6 -6.261 3.546 5.562 1.00 1.00 N ATOM 73 CA LEU A 6 -6.348 2.228 6.167 1.00 1.00 C ATOM 74 C LEU A 6 -6.400 2.372 7.689 1.00 1.00 C ATOM 75 O LEU A 6 -5.902 3.352 8.241 1.00 1.00 O ATOM 76 CB LEU A 6 -5.207 1.335 5.673 1.00 1.00 C ATOM 77 CG LEU A 6 -5.171 1.066 4.167 1.00 1.00 C ATOM 78 CD1 LEU A 6 -3.789 0.575 3.731 1.00 1.00 C ATOM 79 CD2 LEU A 6 -6.280 0.096 3.756 1.00 1.00 C ATOM 0 H LEU A 6 -5.334 3.970 5.594 1.00 1.00 H new ATOM 0 HA LEU A 6 -7.268 1.729 5.862 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -4.262 1.793 5.963 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -5.270 0.378 6.192 1.00 1.00 H new ATOM 0 HG LEU A 6 -5.358 2.006 3.648 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -3.790 0.391 2.657 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -3.042 1.332 3.969 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -3.549 -0.349 4.257 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.232 -0.078 2.681 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -6.150 -0.849 4.283 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.250 0.523 4.011 1.00 1.00 H new ATOM 91 N LYS A 7 -7.007 1.381 8.326 1.00 1.00 N ATOM 92 CA LYS A 7 -7.131 1.386 9.773 1.00 1.00 C ATOM 93 C LYS A 7 -5.784 1.015 10.397 1.00 1.00 C ATOM 94 O LYS A 7 -5.165 0.027 10.005 1.00 1.00 O ATOM 95 CB LYS A 7 -8.283 0.481 10.215 1.00 1.00 C ATOM 96 CG LYS A 7 -8.090 -0.946 9.698 1.00 1.00 C ATOM 97 CD LYS A 7 -8.630 -1.969 10.698 1.00 1.00 C ATOM 98 CE LYS A 7 -7.658 -3.139 10.864 1.00 1.00 C ATOM 99 NZ LYS A 7 -8.189 -4.352 10.202 1.00 1.00 N ATOM 0 H LYS A 7 -7.418 0.569 7.866 1.00 1.00 H new ATOM 0 HA LYS A 7 -7.385 2.384 10.130 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -8.346 0.472 11.303 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -9.227 0.881 9.845 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -8.600 -1.062 8.742 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -7.031 -1.131 9.519 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -8.794 -1.488 11.662 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -9.597 -2.340 10.358 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -6.690 -2.879 10.436 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -7.496 -3.337 11.923 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -7.517 -5.136 10.324 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -9.102 -4.609 10.628 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -8.321 -4.164 9.188 1.00 1.00 H new ATOM 112 N ALA A 8 -5.369 1.827 11.358 1.00 1.00 N ATOM 113 CA ALA A 8 -4.107 1.596 12.040 1.00 1.00 C ATOM 114 C ALA A 8 -3.961 2.598 13.187 1.00 1.00 C ATOM 115 O ALA A 8 -3.664 3.770 12.959 1.00 1.00 O ATOM 116 CB ALA A 8 -2.958 1.691 11.034 1.00 1.00 C ATOM 0 H ALA A 8 -5.884 2.646 11.681 1.00 1.00 H new ATOM 0 HA ALA A 8 -4.082 0.595 12.471 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -2.011 1.518 11.546 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -3.093 0.940 10.256 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -2.950 2.683 10.583 1.00 1.00 H new ATOM 122 N LYS A 9 -4.178 2.101 14.396 1.00 1.00 N ATOM 123 CA LYS A 9 -4.075 2.938 15.579 1.00 1.00 C ATOM 124 C LYS A 9 -2.618 3.362 15.773 1.00 1.00 C ATOM 125 O LYS A 9 -2.326 4.238 16.586 1.00 1.00 O ATOM 126 CB LYS A 9 -4.675 2.226 16.793 1.00 1.00 C ATOM 127 CG LYS A 9 -3.761 1.095 17.272 1.00 1.00 C ATOM 128 CD LYS A 9 -3.664 1.079 18.799 1.00 1.00 C ATOM 129 CE LYS A 9 -3.714 -0.353 19.336 1.00 1.00 C ATOM 130 NZ LYS A 9 -2.840 -0.493 20.522 1.00 1.00 N ATOM 0 H LYS A 9 -4.425 1.129 14.582 1.00 1.00 H new ATOM 0 HA LYS A 9 -4.659 3.850 15.453 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -4.827 2.942 17.601 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -5.654 1.823 16.535 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -4.144 0.138 16.918 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -2.767 1.219 16.842 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -2.736 1.557 19.113 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -4.482 1.660 19.225 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -4.739 -0.613 19.600 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -3.398 -1.050 18.560 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -2.886 -1.471 20.874 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -1.860 -0.265 20.260 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -3.159 0.158 21.267 1.00 1.00 H new ATOM 143 N ASN A 10 -1.742 2.722 15.012 1.00 1.00 N ATOM 144 CA ASN A 10 -0.323 3.023 15.089 1.00 1.00 C ATOM 145 C ASN A 10 0.006 4.163 14.123 1.00 1.00 C ATOM 146 O ASN A 10 1.164 4.558 13.996 1.00 1.00 O ATOM 147 CB ASN A 10 0.519 1.809 14.693 1.00 1.00 C ATOM 148 CG ASN A 10 0.274 0.636 15.645 1.00 1.00 C ATOM 149 OD1 ASN A 10 -0.770 0.005 15.638 1.00 1.00 O ATOM 150 ND2 ASN A 10 1.292 0.381 16.462 1.00 1.00 N ATOM 0 H ASN A 10 -1.988 1.996 14.339 1.00 1.00 H new ATOM 0 HA ASN A 10 -0.093 3.302 16.117 1.00 1.00 H new ATOM 0 HB2 ASN A 10 0.276 1.511 13.673 1.00 1.00 H new ATOM 0 HB3 ASN A 10 1.576 2.076 14.704 1.00 1.00 H new ATOM 0 HD21 ASN A 10 1.227 -0.382 17.135 1.00 1.00 H new ATOM 0 HD22 ASN A 10 2.138 0.949 16.415 1.00 1.00 H new ATOM 157 N GLY A 11 -1.033 4.659 13.468 1.00 1.00 N ATOM 158 CA GLY A 11 -0.868 5.746 12.518 1.00 1.00 C ATOM 159 C GLY A 11 -1.410 5.356 11.141 1.00 1.00 C ATOM 160 O GLY A 11 -0.839 4.502 10.464 1.00 1.00 O ATOM 0 H GLY A 11 -1.992 4.329 13.576 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -1.388 6.633 12.880 1.00 1.00 H new ATOM 0 HA3 GLY A 11 0.187 6.006 12.437 1.00 1.00 H new ATOM 164 N ASP A 12 -2.505 6.001 10.767 1.00 1.00 N ATOM 165 CA ASP A 12 -3.130 5.733 9.483 1.00 1.00 C ATOM 166 C ASP A 12 -2.057 5.711 8.393 1.00 1.00 C ATOM 167 O ASP A 12 -0.991 6.304 8.554 1.00 1.00 O ATOM 168 CB ASP A 12 -4.144 6.821 9.126 1.00 1.00 C ATOM 169 CG ASP A 12 -5.609 6.440 9.353 1.00 1.00 C ATOM 170 OD1 ASP A 12 -5.928 5.279 9.648 1.00 1.00 O ATOM 171 OD2 ASP A 12 -6.451 7.406 9.214 1.00 1.00 O ATOM 0 H ASP A 12 -2.976 6.709 11.331 1.00 1.00 H new ATOM 0 HA ASP A 12 -3.641 4.772 9.551 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -3.921 7.712 9.714 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -4.012 7.089 8.078 1.00 1.00 H new ATOM 177 N VAL A 13 -2.375 5.021 7.307 1.00 1.00 N ATOM 178 CA VAL A 13 -1.451 4.915 6.191 1.00 1.00 C ATOM 179 C VAL A 13 -2.133 5.423 4.919 1.00 1.00 C ATOM 180 O VAL A 13 -2.699 4.640 4.159 1.00 1.00 O ATOM 181 CB VAL A 13 -0.947 3.475 6.064 1.00 1.00 C ATOM 182 CG1 VAL A 13 0.152 3.370 5.005 1.00 1.00 C ATOM 183 CG2 VAL A 13 -0.460 2.944 7.414 1.00 1.00 C ATOM 0 H VAL A 13 -3.260 4.530 7.177 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.574 5.539 6.361 1.00 1.00 H new ATOM 0 HB VAL A 13 -1.783 2.855 5.741 1.00 1.00 H new ATOM 0 HG11 VAL A 13 0.492 2.337 4.935 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.241 3.689 4.040 1.00 1.00 H new ATOM 0 HG13 VAL A 13 0.989 4.010 5.285 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -0.107 1.919 7.296 1.00 1.00 H new ATOM 0 HG22 VAL A 13 0.356 3.569 7.778 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -1.281 2.965 8.131 1.00 1.00 H new ATOM 193 N LYS A 14 -2.057 6.732 4.728 1.00 1.00 N ATOM 194 CA LYS A 14 -2.660 7.354 3.562 1.00 1.00 C ATOM 195 C LYS A 14 -1.965 6.843 2.299 1.00 1.00 C ATOM 196 O LYS A 14 -0.827 7.217 2.018 1.00 1.00 O ATOM 197 CB LYS A 14 -2.644 8.878 3.699 1.00 1.00 C ATOM 198 CG LYS A 14 -2.994 9.552 2.370 1.00 1.00 C ATOM 199 CD LYS A 14 -2.022 10.692 2.061 1.00 1.00 C ATOM 200 CE LYS A 14 -2.327 11.318 0.699 1.00 1.00 C ATOM 201 NZ LYS A 14 -1.130 11.278 -0.170 1.00 1.00 N ATOM 0 H LYS A 14 -1.587 7.379 5.361 1.00 1.00 H new ATOM 0 HA LYS A 14 -3.711 7.075 3.483 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -3.356 9.185 4.465 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -1.659 9.207 4.029 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -2.965 8.816 1.566 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -4.012 9.939 2.411 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -2.089 11.453 2.838 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -0.999 10.316 2.071 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -3.148 10.783 0.222 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -2.653 12.350 0.831 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -1.355 11.707 -1.090 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -0.357 11.808 0.280 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -0.836 10.290 -0.311 1.00 1.00 H new ATOM 214 N LEU A 15 -2.677 5.995 1.571 1.00 1.00 N ATOM 215 CA LEU A 15 -2.142 5.428 0.345 1.00 1.00 C ATOM 216 C LEU A 15 -2.717 6.184 -0.854 1.00 1.00 C ATOM 217 O LEU A 15 -3.925 6.236 -1.075 1.00 1.00 O ATOM 218 CB LEU A 15 -2.393 3.919 0.298 1.00 1.00 C ATOM 219 CG LEU A 15 -2.367 3.278 -1.091 1.00 1.00 C ATOM 220 CD1 LEU A 15 -1.003 2.649 -1.379 1.00 1.00 C ATOM 221 CD2 LEU A 15 -3.508 2.271 -1.251 1.00 1.00 C ATOM 0 H LEU A 15 -3.620 5.687 1.807 1.00 1.00 H new ATOM 0 HA LEU A 15 -1.059 5.549 0.310 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -1.644 3.427 0.918 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -3.364 3.718 0.751 1.00 1.00 H new ATOM 0 HG LEU A 15 -2.523 4.062 -1.832 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -1.012 2.200 -2.372 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -0.231 3.417 -1.335 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -0.793 1.880 -0.636 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -3.467 1.830 -2.247 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -3.408 1.486 -0.502 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -4.463 2.779 -1.119 1.00 1.00 H new ATOM 233 N PRO A 16 -1.810 6.778 -1.634 1.00 1.00 N ATOM 234 CA PRO A 16 -2.130 7.543 -2.820 1.00 1.00 C ATOM 235 C PRO A 16 -2.540 6.599 -3.942 1.00 1.00 C ATOM 236 O PRO A 16 -1.828 6.520 -4.941 1.00 1.00 O ATOM 237 CB PRO A 16 -0.839 8.281 -3.170 1.00 1.00 C ATOM 238 CG PRO A 16 0.236 7.361 -2.652 1.00 1.00 C ATOM 239 CD PRO A 16 -0.382 6.736 -1.404 1.00 1.00 C ATOM 0 HA PRO A 16 -2.958 8.235 -2.668 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -0.747 8.443 -4.244 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -0.794 9.261 -2.694 1.00 1.00 H new ATOM 0 HG2 PRO A 16 0.501 6.603 -3.389 1.00 1.00 H new ATOM 0 HG3 PRO A 16 1.149 7.908 -2.414 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -0.035 5.713 -1.262 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -0.110 7.293 -0.507 1.00 1.00 H new ATOM 247 N HIS A 17 -3.658 5.912 -3.760 1.00 1.00 N ATOM 248 CA HIS A 17 -4.137 4.983 -4.769 1.00 1.00 C ATOM 249 C HIS A 17 -3.892 5.566 -6.162 1.00 1.00 C ATOM 250 O HIS A 17 -3.266 4.927 -7.006 1.00 1.00 O ATOM 251 CB HIS A 17 -5.605 4.626 -4.526 1.00 1.00 C ATOM 252 CG HIS A 17 -6.106 3.479 -5.371 1.00 1.00 C ATOM 253 ND1 HIS A 17 -6.938 3.659 -6.462 1.00 1.00 N ATOM 254 CD2 HIS A 17 -5.884 2.136 -5.274 1.00 1.00 C ATOM 255 CE1 HIS A 17 -7.199 2.472 -6.989 1.00 1.00 C ATOM 256 NE2 HIS A 17 -6.545 1.530 -6.251 1.00 1.00 N ATOM 0 H HIS A 17 -4.246 5.980 -2.929 1.00 1.00 H new ATOM 0 HA HIS A 17 -3.580 4.049 -4.701 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -5.738 4.374 -3.474 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -6.219 5.505 -4.723 1.00 1.00 H new ATOM 0 HD1 HIS A 17 -7.290 4.554 -6.803 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -5.273 1.649 -4.528 1.00 1.00 H new ATOM 0 HE1 HIS A 17 -7.821 2.283 -7.852 1.00 1.00 H new ATOM 264 N LYS A 18 -4.399 6.775 -6.360 1.00 1.00 N ATOM 265 CA LYS A 18 -4.243 7.452 -7.636 1.00 1.00 C ATOM 266 C LYS A 18 -2.787 7.343 -8.092 1.00 1.00 C ATOM 267 O LYS A 18 -2.502 6.759 -9.137 1.00 1.00 O ATOM 268 CB LYS A 18 -4.752 8.892 -7.544 1.00 1.00 C ATOM 269 CG LYS A 18 -4.556 9.628 -8.871 1.00 1.00 C ATOM 270 CD LYS A 18 -4.419 11.136 -8.646 1.00 1.00 C ATOM 271 CE LYS A 18 -3.062 11.477 -8.027 1.00 1.00 C ATOM 272 NZ LYS A 18 -2.100 11.878 -9.077 1.00 1.00 N ATOM 0 H LYS A 18 -4.918 7.302 -5.658 1.00 1.00 H new ATOM 0 HA LYS A 18 -4.854 6.970 -8.400 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -5.809 8.892 -7.277 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -4.223 9.419 -6.750 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -3.666 9.249 -9.373 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -5.402 9.430 -9.529 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -4.532 11.661 -9.595 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -5.219 11.484 -7.992 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -3.178 12.285 -7.304 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -2.677 10.615 -7.483 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -1.184 12.106 -8.640 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -1.977 11.096 -9.752 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -2.462 12.714 -9.579 1.00 1.00 H new ATOM 285 N ALA A 19 -1.903 7.913 -7.286 1.00 1.00 N ATOM 286 CA ALA A 19 -0.484 7.887 -7.593 1.00 1.00 C ATOM 287 C ALA A 19 -0.061 6.451 -7.911 1.00 1.00 C ATOM 288 O ALA A 19 0.566 6.197 -8.938 1.00 1.00 O ATOM 289 CB ALA A 19 0.303 8.481 -6.424 1.00 1.00 C ATOM 0 H ALA A 19 -2.143 8.396 -6.420 1.00 1.00 H new ATOM 0 HA ALA A 19 -0.271 8.496 -8.472 1.00 1.00 H new ATOM 0 HB1 ALA A 19 1.368 8.461 -6.655 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -0.013 9.511 -6.258 1.00 1.00 H new ATOM 0 HB3 ALA A 19 0.116 7.895 -5.524 1.00 1.00 H new ATOM 295 N HIS A 20 -0.421 5.549 -7.009 1.00 1.00 N ATOM 296 CA HIS A 20 -0.088 4.146 -7.180 1.00 1.00 C ATOM 297 C HIS A 20 -0.764 3.607 -8.442 1.00 1.00 C ATOM 298 O HIS A 20 -0.341 2.592 -8.993 1.00 1.00 O ATOM 299 CB HIS A 20 -0.448 3.345 -5.927 1.00 1.00 C ATOM 300 CG HIS A 20 0.546 3.490 -4.799 1.00 1.00 C ATOM 301 ND1 HIS A 20 0.472 4.504 -3.861 1.00 1.00 N ATOM 302 CD2 HIS A 20 1.635 2.738 -4.469 1.00 1.00 C ATOM 303 CE1 HIS A 20 1.477 4.360 -3.009 1.00 1.00 C ATOM 304 NE2 HIS A 20 2.197 3.265 -3.388 1.00 1.00 N ATOM 0 H HIS A 20 -0.940 5.763 -6.158 1.00 1.00 H new ATOM 0 HA HIS A 20 0.989 4.039 -7.313 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -1.430 3.662 -5.575 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -0.529 2.291 -6.193 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -0.236 5.238 -3.830 1.00 1.00 H new ATOM 0 HD2 HIS A 20 1.981 1.862 -4.998 1.00 1.00 H new ATOM 0 HE1 HIS A 20 1.689 4.998 -2.163 1.00 1.00 H new ATOM 312 N GLN A 21 -1.803 4.312 -8.865 1.00 1.00 N ATOM 313 CA GLN A 21 -2.542 3.917 -10.052 1.00 1.00 C ATOM 314 C GLN A 21 -1.830 4.416 -11.311 1.00 1.00 C ATOM 315 O GLN A 21 -2.105 3.944 -12.412 1.00 1.00 O ATOM 316 CB GLN A 21 -3.983 4.431 -9.997 1.00 1.00 C ATOM 317 CG GLN A 21 -4.934 3.343 -9.495 1.00 1.00 C ATOM 318 CD GLN A 21 -6.373 3.859 -9.434 1.00 1.00 C ATOM 319 OE1 GLN A 21 -6.708 4.754 -8.676 1.00 1.00 O ATOM 320 NE2 GLN A 21 -7.203 3.246 -10.274 1.00 1.00 N ATOM 0 H GLN A 21 -2.151 5.154 -8.407 1.00 1.00 H new ATOM 0 HA GLN A 21 -2.580 2.828 -10.087 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -4.038 5.299 -9.340 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -4.293 4.761 -10.988 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -4.882 2.477 -10.155 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -4.621 3.009 -8.506 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -6.857 2.504 -10.882 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -8.185 3.518 -10.310 1.00 1.00 H new ATOM 329 N LYS A 22 -0.927 5.364 -11.105 1.00 1.00 N ATOM 330 CA LYS A 22 -0.173 5.931 -12.210 1.00 1.00 C ATOM 331 C LYS A 22 1.270 5.428 -12.148 1.00 1.00 C ATOM 332 O LYS A 22 1.900 5.208 -13.181 1.00 1.00 O ATOM 333 CB LYS A 22 -0.293 7.457 -12.212 1.00 1.00 C ATOM 334 CG LYS A 22 0.232 8.045 -13.523 1.00 1.00 C ATOM 335 CD LYS A 22 -0.892 8.187 -14.551 1.00 1.00 C ATOM 336 CE LYS A 22 -0.471 9.100 -15.703 1.00 1.00 C ATOM 337 NZ LYS A 22 -1.183 8.729 -16.946 1.00 1.00 N ATOM 0 H LYS A 22 -0.701 5.753 -10.190 1.00 1.00 H new ATOM 0 HA LYS A 22 -0.586 5.600 -13.163 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -1.335 7.744 -12.072 1.00 1.00 H new ATOM 0 HB3 LYS A 22 0.267 7.871 -11.373 1.00 1.00 H new ATOM 0 HG2 LYS A 22 0.682 9.020 -13.334 1.00 1.00 H new ATOM 0 HG3 LYS A 22 1.017 7.404 -13.924 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -1.159 7.205 -14.940 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -1.782 8.592 -14.068 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -0.687 10.138 -15.450 1.00 1.00 H new ATOM 0 HE3 LYS A 22 0.605 9.027 -15.858 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -0.885 9.359 -17.718 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -0.957 7.745 -17.195 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -2.208 8.822 -16.800 1.00 1.00 H new ATOM 350 N ALA A 23 1.753 5.262 -10.925 1.00 1.00 N ATOM 351 CA ALA A 23 3.111 4.788 -10.715 1.00 1.00 C ATOM 352 C ALA A 23 3.200 3.314 -11.113 1.00 1.00 C ATOM 353 O ALA A 23 4.210 2.875 -11.661 1.00 1.00 O ATOM 354 CB ALA A 23 3.515 5.025 -9.258 1.00 1.00 C ATOM 0 H ALA A 23 1.229 5.447 -10.070 1.00 1.00 H new ATOM 0 HA ALA A 23 3.811 5.341 -11.341 1.00 1.00 H new ATOM 0 HB1 ALA A 23 4.533 4.670 -9.100 1.00 1.00 H new ATOM 0 HB2 ALA A 23 3.464 6.091 -9.035 1.00 1.00 H new ATOM 0 HB3 ALA A 23 2.836 4.484 -8.599 1.00 1.00 H new ATOM 360 N VAL A 24 2.130 2.590 -10.821 1.00 1.00 N ATOM 361 CA VAL A 24 2.074 1.173 -11.141 1.00 1.00 C ATOM 362 C VAL A 24 1.077 0.951 -12.280 1.00 1.00 C ATOM 363 O VAL A 24 -0.131 0.847 -12.079 1.00 1.00 O ATOM 364 CB VAL A 24 1.738 0.366 -9.885 1.00 1.00 C ATOM 365 CG1 VAL A 24 1.373 -1.077 -10.243 1.00 1.00 C ATOM 366 CG2 VAL A 24 2.892 0.407 -8.882 1.00 1.00 C ATOM 0 H VAL A 24 1.294 2.958 -10.366 1.00 1.00 H new ATOM 0 HA VAL A 24 3.046 0.820 -11.487 1.00 1.00 H new ATOM 0 HB VAL A 24 0.869 0.825 -9.414 1.00 1.00 H new ATOM 0 HG11 VAL A 24 1.138 -1.629 -9.333 1.00 1.00 H new ATOM 0 HG12 VAL A 24 0.506 -1.080 -10.903 1.00 1.00 H new ATOM 0 HG13 VAL A 24 2.215 -1.551 -10.748 1.00 1.00 H new ATOM 0 HG21 VAL A 24 2.627 -0.174 -7.999 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.787 -0.015 -9.339 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.086 1.440 -8.592 1.00 1.00 H new ATOM 376 N PRO A 25 1.619 0.879 -13.498 1.00 1.00 N ATOM 377 CA PRO A 25 0.864 0.672 -14.715 1.00 1.00 C ATOM 378 C PRO A 25 0.458 -0.791 -14.822 1.00 1.00 C ATOM 379 O PRO A 25 0.684 -1.395 -15.869 1.00 1.00 O ATOM 380 CB PRO A 25 1.822 1.058 -15.840 1.00 1.00 C ATOM 381 CG PRO A 25 3.162 0.818 -15.282 1.00 1.00 C ATOM 382 CD PRO A 25 3.035 0.997 -13.770 1.00 1.00 C ATOM 0 HA PRO A 25 -0.053 1.260 -14.750 1.00 1.00 H new ATOM 0 HB2 PRO A 25 1.650 0.456 -16.732 1.00 1.00 H new ATOM 0 HB3 PRO A 25 1.694 2.101 -16.130 1.00 1.00 H new ATOM 0 HG2 PRO A 25 3.511 -0.185 -15.527 1.00 1.00 H new ATOM 0 HG3 PRO A 25 3.887 1.518 -15.697 1.00 1.00 H new ATOM 0 HD2 PRO A 25 3.605 0.238 -13.233 1.00 1.00 H new ATOM 0 HD3 PRO A 25 3.418 1.967 -13.454 1.00 1.00 H new ATOM 390 N ASP A 26 -0.121 -1.325 -13.757 1.00 1.00 N ATOM 391 CA ASP A 26 -0.546 -2.715 -13.754 1.00 1.00 C ATOM 392 C ASP A 26 -1.421 -2.974 -12.526 1.00 1.00 C ATOM 393 O ASP A 26 -0.910 -3.269 -11.446 1.00 1.00 O ATOM 394 CB ASP A 26 0.657 -3.658 -13.685 1.00 1.00 C ATOM 395 CG ASP A 26 0.621 -4.826 -14.672 1.00 1.00 C ATOM 396 OD1 ASP A 26 -0.262 -4.901 -15.540 1.00 1.00 O ATOM 397 OD2 ASP A 26 1.562 -5.695 -14.523 1.00 1.00 O ATOM 0 H ASP A 26 -0.306 -0.821 -12.890 1.00 1.00 H new ATOM 0 HA ASP A 26 -1.098 -2.901 -14.675 1.00 1.00 H new ATOM 0 HB2 ASP A 26 1.564 -3.080 -13.863 1.00 1.00 H new ATOM 0 HB3 ASP A 26 0.728 -4.059 -12.674 1.00 1.00 H new ATOM 403 N CYS A 27 -2.724 -2.854 -12.732 1.00 1.00 N ATOM 404 CA CYS A 27 -3.675 -3.072 -11.655 1.00 1.00 C ATOM 405 C CYS A 27 -3.832 -4.580 -11.450 1.00 1.00 C ATOM 406 O CYS A 27 -4.940 -5.108 -11.522 1.00 1.00 O ATOM 407 CB CYS A 27 -5.016 -2.392 -11.938 1.00 1.00 C ATOM 408 SG CYS A 27 -4.912 -0.901 -12.995 1.00 1.00 S ATOM 0 H CYS A 27 -3.144 -2.609 -13.629 1.00 1.00 H new ATOM 0 HA CYS A 27 -3.299 -2.619 -10.738 1.00 1.00 H new ATOM 0 HB2 CYS A 27 -5.680 -3.113 -12.415 1.00 1.00 H new ATOM 0 HB3 CYS A 27 -5.475 -2.116 -10.989 1.00 1.00 H new ATOM 413 N LYS A 28 -2.706 -5.231 -11.198 1.00 1.00 N ATOM 414 CA LYS A 28 -2.704 -6.668 -10.982 1.00 1.00 C ATOM 415 C LYS A 28 -1.833 -6.996 -9.768 1.00 1.00 C ATOM 416 O LYS A 28 -2.328 -7.503 -8.763 1.00 1.00 O ATOM 417 CB LYS A 28 -2.283 -7.401 -12.258 1.00 1.00 C ATOM 418 CG LYS A 28 -2.614 -6.572 -13.501 1.00 1.00 C ATOM 419 CD LYS A 28 -2.792 -7.470 -14.727 1.00 1.00 C ATOM 420 CE LYS A 28 -3.060 -6.637 -15.982 1.00 1.00 C ATOM 421 NZ LYS A 28 -4.335 -7.046 -16.613 1.00 1.00 N ATOM 0 H LYS A 28 -1.788 -4.790 -11.139 1.00 1.00 H new ATOM 0 HA LYS A 28 -3.710 -7.021 -10.757 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -1.213 -7.606 -12.228 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -2.791 -8.364 -12.313 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -3.526 -6.000 -13.329 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -1.817 -5.852 -13.686 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -1.897 -8.075 -14.872 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -3.620 -8.160 -14.560 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -3.099 -5.579 -15.722 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -2.241 -6.761 -16.690 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -4.502 -6.471 -17.463 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -4.284 -8.050 -16.879 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -5.116 -6.905 -15.941 1.00 1.00 H new ATOM 434 N LYS A 29 -0.550 -6.693 -9.902 1.00 1.00 N ATOM 435 CA LYS A 29 0.395 -6.949 -8.828 1.00 1.00 C ATOM 436 C LYS A 29 -0.190 -6.445 -7.508 1.00 1.00 C ATOM 437 O LYS A 29 0.183 -6.922 -6.437 1.00 1.00 O ATOM 438 CB LYS A 29 1.763 -6.350 -9.164 1.00 1.00 C ATOM 439 CG LYS A 29 2.740 -6.529 -8.000 1.00 1.00 C ATOM 440 CD LYS A 29 3.379 -7.918 -8.030 1.00 1.00 C ATOM 441 CE LYS A 29 4.874 -7.841 -7.712 1.00 1.00 C ATOM 442 NZ LYS A 29 5.656 -7.614 -8.947 1.00 1.00 N ATOM 0 H LYS A 29 -0.143 -6.273 -10.738 1.00 1.00 H new ATOM 0 HA LYS A 29 0.561 -8.020 -8.714 1.00 1.00 H new ATOM 0 HB2 LYS A 29 2.164 -6.829 -10.057 1.00 1.00 H new ATOM 0 HB3 LYS A 29 1.654 -5.290 -9.392 1.00 1.00 H new ATOM 0 HG2 LYS A 29 3.517 -5.766 -8.052 1.00 1.00 H new ATOM 0 HG3 LYS A 29 2.216 -6.386 -7.055 1.00 1.00 H new ATOM 0 HD2 LYS A 29 2.883 -8.566 -7.308 1.00 1.00 H new ATOM 0 HD3 LYS A 29 3.235 -8.367 -9.013 1.00 1.00 H new ATOM 0 HE2 LYS A 29 5.060 -7.034 -7.003 1.00 1.00 H new ATOM 0 HE3 LYS A 29 5.198 -8.766 -7.234 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 6.668 -7.564 -8.713 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 5.492 -8.398 -9.611 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 5.358 -6.720 -9.387 1.00 1.00 H new ATOM 455 N CYS A 30 -1.097 -5.486 -7.627 1.00 1.00 N ATOM 456 CA CYS A 30 -1.738 -4.912 -6.456 1.00 1.00 C ATOM 457 C CYS A 30 -3.133 -5.527 -6.322 1.00 1.00 C ATOM 458 O CYS A 30 -3.644 -5.678 -5.213 1.00 1.00 O ATOM 459 CB CYS A 30 -1.793 -3.385 -6.533 1.00 1.00 C ATOM 460 SG CYS A 30 -0.464 -2.659 -5.505 1.00 1.00 S ATOM 0 H CYS A 30 -1.403 -5.092 -8.517 1.00 1.00 H new ATOM 0 HA CYS A 30 -1.152 -5.145 -5.567 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -1.682 -3.060 -7.568 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -2.765 -3.030 -6.190 1.00 1.00 H new ATOM 465 N HIS A 31 -3.708 -5.866 -7.466 1.00 1.00 N ATOM 466 CA HIS A 31 -5.034 -6.461 -7.490 1.00 1.00 C ATOM 467 C HIS A 31 -4.949 -7.879 -8.057 1.00 1.00 C ATOM 468 O HIS A 31 -4.810 -8.062 -9.265 1.00 1.00 O ATOM 469 CB HIS A 31 -6.014 -5.573 -8.259 1.00 1.00 C ATOM 470 CG HIS A 31 -6.419 -4.321 -7.518 1.00 1.00 C ATOM 471 ND1 HIS A 31 -7.213 -4.344 -6.385 1.00 1.00 N ATOM 472 CD2 HIS A 31 -6.131 -3.010 -7.760 1.00 1.00 C ATOM 473 CE1 HIS A 31 -7.389 -3.097 -5.972 1.00 1.00 C ATOM 474 NE2 HIS A 31 -6.718 -2.272 -6.826 1.00 1.00 N ATOM 0 H HIS A 31 -3.280 -5.740 -8.383 1.00 1.00 H new ATOM 0 HA HIS A 31 -5.422 -6.535 -6.474 1.00 1.00 H new ATOM 0 HB2 HIS A 31 -5.563 -5.290 -9.210 1.00 1.00 H new ATOM 0 HB3 HIS A 31 -6.908 -6.152 -8.490 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -7.598 -5.179 -5.943 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -5.528 -2.636 -8.574 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -7.963 -2.788 -5.111 1.00 1.00 H new ATOM 482 N GLU A 32 -5.037 -8.848 -7.157 1.00 1.00 N ATOM 483 CA GLU A 32 -4.972 -10.245 -7.551 1.00 1.00 C ATOM 484 C GLU A 32 -6.225 -10.632 -8.340 1.00 1.00 C ATOM 485 O GLU A 32 -6.331 -10.334 -9.528 1.00 1.00 O ATOM 486 CB GLU A 32 -4.789 -11.151 -6.333 1.00 1.00 C ATOM 487 CG GLU A 32 -3.313 -11.254 -5.943 1.00 1.00 C ATOM 488 CD GLU A 32 -2.913 -12.708 -5.687 1.00 1.00 C ATOM 489 OE1 GLU A 32 -2.214 -13.314 -6.514 1.00 1.00 O ATOM 490 OE2 GLU A 32 -3.354 -13.209 -4.583 1.00 1.00 O ATOM 0 H GLU A 32 -5.153 -8.693 -6.156 1.00 1.00 H new ATOM 0 HA GLU A 32 -4.104 -10.381 -8.196 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -5.364 -10.759 -5.494 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -5.181 -12.144 -6.552 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -2.694 -10.837 -6.737 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -3.127 -10.659 -5.049 1.00 1.00 H new ATOM 498 N LYS A 33 -7.141 -11.290 -7.646 1.00 1.00 N ATOM 499 CA LYS A 33 -8.383 -11.722 -8.266 1.00 1.00 C ATOM 500 C LYS A 33 -8.869 -10.639 -9.231 1.00 1.00 C ATOM 501 O LYS A 33 -9.512 -10.940 -10.236 1.00 1.00 O ATOM 502 CB LYS A 33 -9.411 -12.101 -7.199 1.00 1.00 C ATOM 503 CG LYS A 33 -9.175 -13.525 -6.692 1.00 1.00 C ATOM 504 CD LYS A 33 -10.441 -14.373 -6.829 1.00 1.00 C ATOM 505 CE LYS A 33 -10.467 -15.107 -8.171 1.00 1.00 C ATOM 506 NZ LYS A 33 -10.599 -16.566 -7.962 1.00 1.00 N ATOM 0 H LYS A 33 -7.049 -11.535 -6.660 1.00 1.00 H new ATOM 0 HA LYS A 33 -8.221 -12.625 -8.854 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -9.352 -11.400 -6.366 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -10.416 -12.020 -7.612 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -8.362 -13.985 -7.254 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -8.864 -13.496 -5.648 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -10.489 -15.096 -6.014 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -11.321 -13.736 -6.742 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -11.299 -14.744 -8.775 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -9.553 -14.894 -8.726 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -10.615 -17.049 -8.883 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -9.792 -16.911 -7.404 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -11.483 -16.765 -7.452 1.00 1.00 H new ATOM 519 N GLY A 34 -8.543 -9.400 -8.892 1.00 1.00 N ATOM 520 CA GLY A 34 -8.939 -8.270 -9.716 1.00 1.00 C ATOM 521 C GLY A 34 -9.089 -7.002 -8.873 1.00 1.00 C ATOM 522 O GLY A 34 -8.863 -6.992 -7.665 1.00 1.00 O ATOM 0 H GLY A 34 -8.009 -9.154 -8.058 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -8.196 -8.106 -10.496 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -9.882 -8.492 -10.216 1.00 1.00 H new ATOM 526 N PRO A 35 -9.481 -5.919 -9.547 1.00 1.00 N ATOM 527 CA PRO A 35 -9.689 -4.617 -8.950 1.00 1.00 C ATOM 528 C PRO A 35 -10.736 -4.720 -7.851 1.00 1.00 C ATOM 529 O PRO A 35 -11.859 -5.133 -8.137 1.00 1.00 O ATOM 530 CB PRO A 35 -10.182 -3.736 -10.096 1.00 1.00 C ATOM 531 CG PRO A 35 -9.637 -4.428 -11.368 1.00 1.00 C ATOM 532 CD PRO A 35 -9.755 -5.896 -10.968 1.00 1.00 C ATOM 0 HA PRO A 35 -8.787 -4.211 -8.492 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -11.270 -3.674 -10.111 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -9.806 -2.717 -10.005 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -10.229 -4.192 -12.253 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -8.608 -4.141 -11.586 1.00 1.00 H new ATOM 0 HD2 PRO A 35 -10.750 -6.286 -11.185 1.00 1.00 H new ATOM 0 HD3 PRO A 35 -9.044 -6.513 -11.517 1.00 1.00 H new ATOM 540 N GLY A 36 -10.359 -4.352 -6.635 1.00 1.00 N ATOM 541 CA GLY A 36 -11.282 -4.414 -5.515 1.00 1.00 C ATOM 542 C GLY A 36 -10.610 -5.024 -4.284 1.00 1.00 C ATOM 543 O GLY A 36 -9.394 -5.207 -4.262 1.00 1.00 O ATOM 0 H GLY A 36 -9.427 -4.010 -6.401 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -11.641 -3.412 -5.279 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -12.154 -5.008 -5.790 1.00 1.00 H new ATOM 547 N LYS A 37 -11.431 -5.323 -3.288 1.00 1.00 N ATOM 548 CA LYS A 37 -10.932 -5.909 -2.056 1.00 1.00 C ATOM 549 C LYS A 37 -9.865 -6.954 -2.389 1.00 1.00 C ATOM 550 O LYS A 37 -9.948 -7.625 -3.417 1.00 1.00 O ATOM 551 CB LYS A 37 -12.087 -6.457 -1.216 1.00 1.00 C ATOM 552 CG LYS A 37 -12.589 -5.407 -0.223 1.00 1.00 C ATOM 553 CD LYS A 37 -13.302 -6.067 0.960 1.00 1.00 C ATOM 554 CE LYS A 37 -12.335 -6.294 2.124 1.00 1.00 C ATOM 555 NZ LYS A 37 -12.270 -7.732 2.470 1.00 1.00 N ATOM 0 H LYS A 37 -12.439 -5.170 -3.309 1.00 1.00 H new ATOM 0 HA LYS A 37 -10.453 -5.148 -1.440 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -12.903 -6.764 -1.870 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -11.759 -7.346 -0.677 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -11.750 -4.813 0.139 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -13.271 -4.722 -0.727 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -14.130 -5.438 1.287 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -13.730 -7.019 0.646 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -11.342 -5.933 1.856 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -12.659 -5.719 2.992 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -11.610 -7.869 3.262 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -13.216 -8.066 2.746 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -11.939 -8.273 1.646 1.00 1.00 H new ATOM 568 N ILE A 38 -8.887 -7.059 -1.502 1.00 1.00 N ATOM 569 CA ILE A 38 -7.805 -8.010 -1.689 1.00 1.00 C ATOM 570 C ILE A 38 -7.879 -9.082 -0.599 1.00 1.00 C ATOM 571 O ILE A 38 -8.024 -8.764 0.580 1.00 1.00 O ATOM 572 CB ILE A 38 -6.458 -7.286 -1.747 1.00 1.00 C ATOM 573 CG1 ILE A 38 -6.508 -6.114 -2.730 1.00 1.00 C ATOM 574 CG2 ILE A 38 -5.325 -8.260 -2.075 1.00 1.00 C ATOM 575 CD1 ILE A 38 -5.323 -5.170 -2.519 1.00 1.00 C ATOM 0 H ILE A 38 -8.821 -6.501 -0.651 1.00 1.00 H new ATOM 0 HA ILE A 38 -7.909 -8.520 -2.647 1.00 1.00 H new ATOM 0 HB ILE A 38 -6.251 -6.871 -0.760 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -6.499 -6.492 -3.752 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -7.441 -5.566 -2.601 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -4.379 -7.719 -2.110 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.274 -9.031 -1.306 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.513 -8.725 -3.043 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -5.383 -4.346 -3.230 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.349 -4.775 -1.503 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.392 -5.715 -2.673 1.00 1.00 H new ATOM 587 N GLU A 39 -7.777 -10.330 -1.033 1.00 1.00 N ATOM 588 CA GLU A 39 -7.832 -11.450 -0.110 1.00 1.00 C ATOM 589 C GLU A 39 -6.424 -11.811 0.369 1.00 1.00 C ATOM 590 O GLU A 39 -5.558 -12.149 -0.436 1.00 1.00 O ATOM 591 CB GLU A 39 -8.519 -12.657 -0.751 1.00 1.00 C ATOM 592 CG GLU A 39 -9.095 -13.591 0.315 1.00 1.00 C ATOM 593 CD GLU A 39 -9.261 -15.010 -0.231 1.00 1.00 C ATOM 594 OE1 GLU A 39 -10.389 -15.434 -0.524 1.00 1.00 O ATOM 595 OE2 GLU A 39 -8.165 -15.680 -0.349 1.00 1.00 O ATOM 0 H GLU A 39 -7.657 -10.590 -2.012 1.00 1.00 H new ATOM 0 HA GLU A 39 -8.425 -11.154 0.755 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -9.317 -12.317 -1.411 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -7.804 -13.201 -1.368 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -8.437 -13.607 1.184 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -10.060 -13.212 0.653 1.00 1.00 H new ATOM 603 N GLY A 40 -6.240 -11.729 1.679 1.00 1.00 N ATOM 604 CA GLY A 40 -4.953 -12.043 2.275 1.00 1.00 C ATOM 605 C GLY A 40 -4.330 -10.803 2.920 1.00 1.00 C ATOM 606 O GLY A 40 -3.903 -10.847 4.073 1.00 1.00 O ATOM 0 H GLY A 40 -6.961 -11.450 2.344 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -5.077 -12.824 3.025 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -4.281 -12.437 1.512 1.00 1.00 H new ATOM 610 N PHE A 41 -4.297 -9.727 2.148 1.00 1.00 N ATOM 611 CA PHE A 41 -3.734 -8.477 2.630 1.00 1.00 C ATOM 612 C PHE A 41 -4.497 -7.968 3.854 1.00 1.00 C ATOM 613 O PHE A 41 -5.705 -8.170 3.966 1.00 1.00 O ATOM 614 CB PHE A 41 -3.872 -7.458 1.497 1.00 1.00 C ATOM 615 CG PHE A 41 -3.246 -6.097 1.805 1.00 1.00 C ATOM 616 CD1 PHE A 41 -3.881 -5.230 2.639 1.00 1.00 C ATOM 617 CD2 PHE A 41 -2.055 -5.753 1.245 1.00 1.00 C ATOM 618 CE1 PHE A 41 -3.300 -3.966 2.925 1.00 1.00 C ATOM 619 CE2 PHE A 41 -1.475 -4.489 1.531 1.00 1.00 C ATOM 620 CZ PHE A 41 -2.109 -3.622 2.365 1.00 1.00 C ATOM 0 H PHE A 41 -4.651 -9.695 1.192 1.00 1.00 H new ATOM 0 HA PHE A 41 -2.694 -8.625 2.920 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -3.409 -7.865 0.598 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -4.930 -7.318 1.275 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -4.827 -5.503 3.084 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -1.551 -6.441 0.583 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -3.804 -3.278 3.587 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -0.530 -4.216 1.086 1.00 1.00 H new ATOM 0 HZ PHE A 41 -1.667 -2.661 2.583 1.00 1.00 H new ATOM 630 N GLY A 42 -3.760 -7.317 4.742 1.00 1.00 N ATOM 631 CA GLY A 42 -4.352 -6.777 5.954 1.00 1.00 C ATOM 632 C GLY A 42 -3.301 -6.063 6.807 1.00 1.00 C ATOM 633 O GLY A 42 -3.597 -5.058 7.452 1.00 1.00 O ATOM 0 H GLY A 42 -2.758 -7.151 4.646 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -5.149 -6.080 5.694 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -4.807 -7.582 6.530 1.00 1.00 H new ATOM 637 N LYS A 43 -2.094 -6.609 6.782 1.00 1.00 N ATOM 638 CA LYS A 43 -0.997 -6.037 7.544 1.00 1.00 C ATOM 639 C LYS A 43 0.331 -6.549 6.982 1.00 1.00 C ATOM 640 O LYS A 43 0.973 -5.870 6.182 1.00 1.00 O ATOM 641 CB LYS A 43 -1.181 -6.316 9.038 1.00 1.00 C ATOM 642 CG LYS A 43 -0.144 -5.556 9.868 1.00 1.00 C ATOM 643 CD LYS A 43 0.865 -6.517 10.498 1.00 1.00 C ATOM 644 CE LYS A 43 0.363 -7.031 11.849 1.00 1.00 C ATOM 645 NZ LYS A 43 0.479 -8.505 11.918 1.00 1.00 N ATOM 0 H LYS A 43 -1.852 -7.442 6.246 1.00 1.00 H new ATOM 0 HA LYS A 43 -0.988 -4.952 7.444 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -2.185 -6.023 9.346 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -1.090 -7.386 9.226 1.00 1.00 H new ATOM 0 HG2 LYS A 43 0.378 -4.838 9.235 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -0.646 -4.986 10.650 1.00 1.00 H new ATOM 0 HD2 LYS A 43 1.039 -7.358 9.827 1.00 1.00 H new ATOM 0 HD3 LYS A 43 1.821 -6.011 10.630 1.00 1.00 H new ATOM 0 HE2 LYS A 43 0.940 -6.577 12.655 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -0.676 -6.735 11.994 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 0.134 -8.838 12.841 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -0.090 -8.934 11.161 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 1.475 -8.781 11.801 1.00 1.00 H new ATOM 658 N GLU A 44 0.703 -7.742 7.422 1.00 1.00 N ATOM 659 CA GLU A 44 1.943 -8.352 6.972 1.00 1.00 C ATOM 660 C GLU A 44 2.181 -8.041 5.493 1.00 1.00 C ATOM 661 O GLU A 44 3.251 -7.563 5.120 1.00 1.00 O ATOM 662 CB GLU A 44 1.933 -9.861 7.221 1.00 1.00 C ATOM 663 CG GLU A 44 2.259 -10.630 5.939 1.00 1.00 C ATOM 664 CD GLU A 44 2.496 -12.113 6.235 1.00 1.00 C ATOM 665 OE1 GLU A 44 2.959 -12.460 7.331 1.00 1.00 O ATOM 666 OE2 GLU A 44 2.180 -12.917 5.277 1.00 1.00 O ATOM 0 H GLU A 44 0.168 -8.303 8.085 1.00 1.00 H new ATOM 0 HA GLU A 44 2.765 -7.928 7.549 1.00 1.00 H new ATOM 0 HB2 GLU A 44 2.660 -10.111 7.994 1.00 1.00 H new ATOM 0 HB3 GLU A 44 0.955 -10.165 7.593 1.00 1.00 H new ATOM 0 HG2 GLU A 44 1.439 -10.524 5.228 1.00 1.00 H new ATOM 0 HG3 GLU A 44 3.145 -10.203 5.470 1.00 1.00 H new ATOM 674 N MET A 45 1.166 -8.326 4.690 1.00 1.00 N ATOM 675 CA MET A 45 1.252 -8.084 3.260 1.00 1.00 C ATOM 676 C MET A 45 1.847 -6.704 2.973 1.00 1.00 C ATOM 677 O MET A 45 2.707 -6.563 2.105 1.00 1.00 O ATOM 678 CB MET A 45 -0.144 -8.177 2.642 1.00 1.00 C ATOM 679 CG MET A 45 -0.504 -9.628 2.316 1.00 1.00 C ATOM 680 SD MET A 45 -1.065 -10.464 3.791 1.00 1.00 S ATOM 681 CE MET A 45 -0.495 -12.119 3.444 1.00 1.00 C ATOM 0 H MET A 45 0.280 -8.722 5.003 1.00 1.00 H new ATOM 0 HA MET A 45 1.904 -8.839 2.821 1.00 1.00 H new ATOM 0 HB2 MET A 45 -0.879 -7.762 3.332 1.00 1.00 H new ATOM 0 HB3 MET A 45 -0.184 -7.576 1.734 1.00 1.00 H new ATOM 0 HG2 MET A 45 -1.283 -9.656 1.554 1.00 1.00 H new ATOM 0 HG3 MET A 45 0.364 -10.143 1.904 1.00 1.00 H new ATOM 0 HE1 MET A 45 -0.764 -12.777 4.270 1.00 1.00 H new ATOM 0 HE2 MET A 45 -0.960 -12.479 2.526 1.00 1.00 H new ATOM 0 HE3 MET A 45 0.588 -12.113 3.323 1.00 1.00 H new ATOM 691 N ALA A 46 1.365 -5.720 3.719 1.00 1.00 N ATOM 692 CA ALA A 46 1.838 -4.356 3.555 1.00 1.00 C ATOM 693 C ALA A 46 3.313 -4.281 3.954 1.00 1.00 C ATOM 694 O ALA A 46 4.161 -3.909 3.143 1.00 1.00 O ATOM 695 CB ALA A 46 0.963 -3.410 4.379 1.00 1.00 C ATOM 0 H ALA A 46 0.652 -5.841 4.438 1.00 1.00 H new ATOM 0 HA ALA A 46 1.762 -4.046 2.513 1.00 1.00 H new ATOM 0 HB1 ALA A 46 1.318 -2.387 4.256 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -0.070 -3.480 4.038 1.00 1.00 H new ATOM 0 HB3 ALA A 46 1.017 -3.689 5.431 1.00 1.00 H new ATOM 701 N HIS A 47 3.575 -4.641 5.202 1.00 1.00 N ATOM 702 CA HIS A 47 4.933 -4.620 5.717 1.00 1.00 C ATOM 703 C HIS A 47 5.843 -5.440 4.801 1.00 1.00 C ATOM 704 O HIS A 47 7.062 -5.275 4.821 1.00 1.00 O ATOM 705 CB HIS A 47 4.970 -5.096 7.171 1.00 1.00 C ATOM 706 CG HIS A 47 4.152 -4.248 8.116 1.00 1.00 C ATOM 707 ND1 HIS A 47 3.344 -4.789 9.100 1.00 1.00 N ATOM 708 CD2 HIS A 47 4.028 -2.894 8.217 1.00 1.00 C ATOM 709 CE1 HIS A 47 2.763 -3.796 9.757 1.00 1.00 C ATOM 710 NE2 HIS A 47 3.188 -2.622 9.208 1.00 1.00 N ATOM 0 H HIS A 47 2.870 -4.949 5.871 1.00 1.00 H new ATOM 0 HA HIS A 47 5.308 -3.597 5.721 1.00 1.00 H new ATOM 0 HB2 HIS A 47 4.608 -6.123 7.216 1.00 1.00 H new ATOM 0 HB3 HIS A 47 6.005 -5.107 7.513 1.00 1.00 H new ATOM 0 HD1 HIS A 47 3.217 -5.783 9.288 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.529 -2.166 7.596 1.00 1.00 H new ATOM 0 HE1 HIS A 47 2.074 -3.898 10.582 1.00 1.00 H new ATOM 718 N GLY A 48 5.216 -6.307 4.020 1.00 1.00 N ATOM 719 CA GLY A 48 5.954 -7.154 3.098 1.00 1.00 C ATOM 720 C GLY A 48 5.342 -7.103 1.697 1.00 1.00 C ATOM 721 O GLY A 48 4.962 -6.034 1.220 1.00 1.00 O ATOM 0 H GLY A 48 4.205 -6.441 4.006 1.00 1.00 H new ATOM 0 HA2 GLY A 48 6.994 -6.832 3.056 1.00 1.00 H new ATOM 0 HA3 GLY A 48 5.953 -8.181 3.462 1.00 1.00 H new ATOM 725 N LYS A 49 5.266 -8.271 1.076 1.00 1.00 N ATOM 726 CA LYS A 49 4.706 -8.373 -0.261 1.00 1.00 C ATOM 727 C LYS A 49 3.282 -7.813 -0.257 1.00 1.00 C ATOM 728 O LYS A 49 2.318 -8.561 -0.106 1.00 1.00 O ATOM 729 CB LYS A 49 4.800 -9.811 -0.773 1.00 1.00 C ATOM 730 CG LYS A 49 3.959 -10.756 0.088 1.00 1.00 C ATOM 731 CD LYS A 49 4.462 -12.196 -0.026 1.00 1.00 C ATOM 732 CE LYS A 49 3.299 -13.189 0.034 1.00 1.00 C ATOM 733 NZ LYS A 49 3.806 -14.575 0.144 1.00 1.00 N ATOM 0 H LYS A 49 5.583 -9.155 1.474 1.00 1.00 H new ATOM 0 HA LYS A 49 5.283 -7.771 -0.963 1.00 1.00 H new ATOM 0 HB2 LYS A 49 4.459 -9.855 -1.807 1.00 1.00 H new ATOM 0 HB3 LYS A 49 5.840 -10.136 -0.766 1.00 1.00 H new ATOM 0 HG2 LYS A 49 3.997 -10.435 1.129 1.00 1.00 H new ATOM 0 HG3 LYS A 49 2.916 -10.706 -0.224 1.00 1.00 H new ATOM 0 HD2 LYS A 49 5.005 -12.322 -0.963 1.00 1.00 H new ATOM 0 HD3 LYS A 49 5.165 -12.404 0.781 1.00 1.00 H new ATOM 0 HE2 LYS A 49 2.661 -12.960 0.888 1.00 1.00 H new ATOM 0 HE3 LYS A 49 2.683 -13.091 -0.860 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 3.004 -15.236 0.184 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 4.396 -14.796 -0.684 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 4.375 -14.669 1.010 1.00 1.00 H new ATOM 746 N GLY A 50 3.196 -6.502 -0.426 1.00 1.00 N ATOM 747 CA GLY A 50 1.906 -5.833 -0.444 1.00 1.00 C ATOM 748 C GLY A 50 2.075 -4.318 -0.570 1.00 1.00 C ATOM 749 O GLY A 50 1.355 -3.669 -1.328 1.00 1.00 O ATOM 0 H GLY A 50 3.998 -5.885 -0.552 1.00 1.00 H new ATOM 0 HA2 GLY A 50 1.310 -6.206 -1.277 1.00 1.00 H new ATOM 0 HA3 GLY A 50 1.359 -6.067 0.469 1.00 1.00 H new ATOM 753 N CYS A 51 3.032 -3.797 0.185 1.00 1.00 N ATOM 754 CA CYS A 51 3.305 -2.370 0.168 1.00 1.00 C ATOM 755 C CYS A 51 4.817 -2.169 0.285 1.00 1.00 C ATOM 756 O CYS A 51 5.432 -1.541 -0.576 1.00 1.00 O ATOM 757 CB CYS A 51 2.545 -1.635 1.274 1.00 1.00 C ATOM 758 SG CYS A 51 0.750 -1.990 1.338 1.00 1.00 S ATOM 0 H CYS A 51 3.628 -4.338 0.812 1.00 1.00 H new ATOM 0 HA CYS A 51 2.953 -1.941 -0.771 1.00 1.00 H new ATOM 0 HB2 CYS A 51 2.987 -1.897 2.235 1.00 1.00 H new ATOM 0 HB3 CYS A 51 2.684 -0.562 1.140 1.00 1.00 H new ATOM 763 N LYS A 52 5.374 -2.715 1.356 1.00 1.00 N ATOM 764 CA LYS A 52 6.802 -2.603 1.596 1.00 1.00 C ATOM 765 C LYS A 52 7.556 -3.433 0.555 1.00 1.00 C ATOM 766 O LYS A 52 8.469 -2.932 -0.100 1.00 1.00 O ATOM 767 CB LYS A 52 7.134 -2.982 3.041 1.00 1.00 C ATOM 768 CG LYS A 52 7.719 -1.789 3.800 1.00 1.00 C ATOM 769 CD LYS A 52 8.875 -2.227 4.702 1.00 1.00 C ATOM 770 CE LYS A 52 10.158 -2.425 3.893 1.00 1.00 C ATOM 771 NZ LYS A 52 10.631 -3.823 4.005 1.00 1.00 N ATOM 0 H LYS A 52 4.862 -3.236 2.067 1.00 1.00 H new ATOM 0 HA LYS A 52 7.128 -1.570 1.478 1.00 1.00 H new ATOM 0 HB2 LYS A 52 6.233 -3.332 3.545 1.00 1.00 H new ATOM 0 HB3 LYS A 52 7.846 -3.808 3.050 1.00 1.00 H new ATOM 0 HG2 LYS A 52 8.070 -1.039 3.091 1.00 1.00 H new ATOM 0 HG3 LYS A 52 6.941 -1.319 4.402 1.00 1.00 H new ATOM 0 HD2 LYS A 52 9.041 -1.478 5.476 1.00 1.00 H new ATOM 0 HD3 LYS A 52 8.614 -3.156 5.209 1.00 1.00 H new ATOM 0 HE2 LYS A 52 9.977 -2.179 2.847 1.00 1.00 H new ATOM 0 HE3 LYS A 52 10.930 -1.744 4.252 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 11.643 -3.867 3.770 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 10.486 -4.162 4.978 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 10.096 -4.424 3.346 1.00 1.00 H new ATOM 784 N GLY A 53 7.146 -4.687 0.434 1.00 1.00 N ATOM 785 CA GLY A 53 7.772 -5.591 -0.516 1.00 1.00 C ATOM 786 C GLY A 53 8.134 -4.860 -1.810 1.00 1.00 C ATOM 787 O GLY A 53 9.245 -5.006 -2.320 1.00 1.00 O ATOM 0 H GLY A 53 6.388 -5.098 0.978 1.00 1.00 H new ATOM 0 HA2 GLY A 53 8.670 -6.023 -0.075 1.00 1.00 H new ATOM 0 HA3 GLY A 53 7.096 -6.417 -0.737 1.00 1.00 H new ATOM 791 N CYS A 54 7.177 -4.090 -2.306 1.00 1.00 N ATOM 792 CA CYS A 54 7.381 -3.336 -3.531 1.00 1.00 C ATOM 793 C CYS A 54 8.282 -2.140 -3.215 1.00 1.00 C ATOM 794 O CYS A 54 9.178 -1.811 -3.991 1.00 1.00 O ATOM 795 CB CYS A 54 6.054 -2.901 -4.156 1.00 1.00 C ATOM 796 SG CYS A 54 6.344 -2.214 -5.827 1.00 1.00 S ATOM 0 H CYS A 54 6.257 -3.972 -1.881 1.00 1.00 H new ATOM 0 HA CYS A 54 7.866 -3.969 -4.274 1.00 1.00 H new ATOM 0 HB2 CYS A 54 5.375 -3.752 -4.216 1.00 1.00 H new ATOM 0 HB3 CYS A 54 5.573 -2.154 -3.525 1.00 1.00 H new ATOM 801 N HIS A 55 8.013 -1.523 -2.073 1.00 1.00 N ATOM 802 CA HIS A 55 8.788 -0.371 -1.645 1.00 1.00 C ATOM 803 C HIS A 55 10.261 -0.764 -1.513 1.00 1.00 C ATOM 804 O HIS A 55 11.143 -0.045 -1.979 1.00 1.00 O ATOM 805 CB HIS A 55 8.215 0.221 -0.356 1.00 1.00 C ATOM 806 CG HIS A 55 6.836 0.815 -0.514 1.00 1.00 C ATOM 807 ND1 HIS A 55 5.978 1.013 0.554 1.00 1.00 N ATOM 808 CD2 HIS A 55 6.175 1.253 -1.624 1.00 1.00 C ATOM 809 CE1 HIS A 55 4.855 1.545 0.096 1.00 1.00 C ATOM 810 NE2 HIS A 55 4.979 1.693 -1.254 1.00 1.00 N ATOM 0 H HIS A 55 7.270 -1.799 -1.432 1.00 1.00 H new ATOM 0 HA HIS A 55 8.723 0.415 -2.397 1.00 1.00 H new ATOM 0 HB2 HIS A 55 8.179 -0.558 0.405 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.892 0.993 0.010 1.00 1.00 H new ATOM 0 HD1 HIS A 55 6.177 0.787 1.529 1.00 1.00 H new ATOM 0 HD2 HIS A 55 6.560 1.243 -2.633 1.00 1.00 H new ATOM 0 HE1 HIS A 55 3.993 1.814 0.688 1.00 1.00 H new ATOM 818 N GLU A 56 10.482 -1.904 -0.876 1.00 1.00 N ATOM 819 CA GLU A 56 11.832 -2.401 -0.676 1.00 1.00 C ATOM 820 C GLU A 56 12.351 -3.056 -1.958 1.00 1.00 C ATOM 821 O GLU A 56 13.556 -3.071 -2.208 1.00 1.00 O ATOM 822 CB GLU A 56 11.889 -3.378 0.500 1.00 1.00 C ATOM 823 CG GLU A 56 10.685 -4.322 0.488 1.00 1.00 C ATOM 824 CD GLU A 56 11.095 -5.739 0.895 1.00 1.00 C ATOM 825 OE1 GLU A 56 11.982 -6.333 0.265 1.00 1.00 O ATOM 826 OE2 GLU A 56 10.457 -6.221 1.907 1.00 1.00 O ATOM 0 H GLU A 56 9.748 -2.498 -0.491 1.00 1.00 H new ATOM 0 HA GLU A 56 12.477 -1.556 -0.435 1.00 1.00 H new ATOM 0 HB2 GLU A 56 12.811 -3.958 0.451 1.00 1.00 H new ATOM 0 HB3 GLU A 56 11.911 -2.823 1.438 1.00 1.00 H new ATOM 0 HG2 GLU A 56 9.920 -3.951 1.170 1.00 1.00 H new ATOM 0 HG3 GLU A 56 10.242 -4.340 -0.508 1.00 1.00 H new ATOM 834 N GLU A 57 11.417 -3.582 -2.737 1.00 1.00 N ATOM 835 CA GLU A 57 11.765 -4.236 -3.986 1.00 1.00 C ATOM 836 C GLU A 57 12.106 -3.194 -5.054 1.00 1.00 C ATOM 837 O GLU A 57 12.960 -3.431 -5.907 1.00 1.00 O ATOM 838 CB GLU A 57 10.636 -5.155 -4.457 1.00 1.00 C ATOM 839 CG GLU A 57 10.899 -5.665 -5.876 1.00 1.00 C ATOM 840 CD GLU A 57 12.097 -6.616 -5.902 1.00 1.00 C ATOM 841 OE1 GLU A 57 11.938 -7.820 -5.652 1.00 1.00 O ATOM 842 OE2 GLU A 57 13.225 -6.065 -6.197 1.00 1.00 O ATOM 0 H GLU A 57 10.419 -3.568 -2.527 1.00 1.00 H new ATOM 0 HA GLU A 57 12.646 -4.855 -3.816 1.00 1.00 H new ATOM 0 HB2 GLU A 57 10.542 -6.000 -3.775 1.00 1.00 H new ATOM 0 HB3 GLU A 57 9.689 -4.616 -4.430 1.00 1.00 H new ATOM 0 HG2 GLU A 57 10.014 -6.178 -6.252 1.00 1.00 H new ATOM 0 HG3 GLU A 57 11.085 -4.822 -6.541 1.00 1.00 H new ATOM 850 N MET A 58 11.420 -2.064 -4.972 1.00 1.00 N ATOM 851 CA MET A 58 11.640 -0.985 -5.921 1.00 1.00 C ATOM 852 C MET A 58 12.599 0.061 -5.349 1.00 1.00 C ATOM 853 O MET A 58 13.497 0.531 -6.046 1.00 1.00 O ATOM 854 CB MET A 58 10.303 -0.322 -6.259 1.00 1.00 C ATOM 855 CG MET A 58 9.364 -1.307 -6.958 1.00 1.00 C ATOM 856 SD MET A 58 8.162 -0.417 -7.932 1.00 1.00 S ATOM 857 CE MET A 58 8.560 -1.038 -9.558 1.00 1.00 C ATOM 0 H MET A 58 10.712 -1.872 -4.264 1.00 1.00 H new ATOM 0 HA MET A 58 12.086 -1.404 -6.823 1.00 1.00 H new ATOM 0 HB2 MET A 58 9.835 0.047 -5.346 1.00 1.00 H new ATOM 0 HB3 MET A 58 10.473 0.542 -6.901 1.00 1.00 H new ATOM 0 HG2 MET A 58 9.938 -1.978 -7.597 1.00 1.00 H new ATOM 0 HG3 MET A 58 8.858 -1.927 -6.218 1.00 1.00 H new ATOM 0 HE1 MET A 58 7.898 -0.581 -10.294 1.00 1.00 H new ATOM 0 HE2 MET A 58 9.594 -0.792 -9.798 1.00 1.00 H new ATOM 0 HE3 MET A 58 8.431 -2.120 -9.576 1.00 1.00 H new ATOM 867 N LYS A 59 12.375 0.395 -4.087 1.00 1.00 N ATOM 868 CA LYS A 59 13.208 1.378 -3.414 1.00 1.00 C ATOM 869 C LYS A 59 12.766 2.783 -3.826 1.00 1.00 C ATOM 870 O LYS A 59 13.593 3.614 -4.198 1.00 1.00 O ATOM 871 CB LYS A 59 14.688 1.096 -3.679 1.00 1.00 C ATOM 872 CG LYS A 59 15.453 0.903 -2.368 1.00 1.00 C ATOM 873 CD LYS A 59 15.142 2.030 -1.381 1.00 1.00 C ATOM 874 CE LYS A 59 16.420 2.763 -0.965 1.00 1.00 C ATOM 875 NZ LYS A 59 17.259 1.896 -0.108 1.00 1.00 N ATOM 0 H LYS A 59 11.629 0.003 -3.512 1.00 1.00 H new ATOM 0 HA LYS A 59 13.082 1.309 -2.334 1.00 1.00 H new ATOM 0 HB2 LYS A 59 14.787 0.203 -4.297 1.00 1.00 H new ATOM 0 HB3 LYS A 59 15.124 1.922 -4.241 1.00 1.00 H new ATOM 0 HG2 LYS A 59 15.187 -0.057 -1.925 1.00 1.00 H new ATOM 0 HG3 LYS A 59 16.524 0.875 -2.568 1.00 1.00 H new ATOM 0 HD2 LYS A 59 14.446 2.735 -1.836 1.00 1.00 H new ATOM 0 HD3 LYS A 59 14.650 1.620 -0.499 1.00 1.00 H new ATOM 0 HE2 LYS A 59 16.981 3.060 -1.851 1.00 1.00 H new ATOM 0 HE3 LYS A 59 16.164 3.677 -0.428 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 18.122 2.408 0.165 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 16.727 1.633 0.746 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 17.518 1.036 -0.632 1.00 1.00 H new ATOM 888 N LYS A 60 11.462 3.006 -3.744 1.00 1.00 N ATOM 889 CA LYS A 60 10.900 4.297 -4.104 1.00 1.00 C ATOM 890 C LYS A 60 9.901 4.731 -3.030 1.00 1.00 C ATOM 891 O LYS A 60 9.917 5.879 -2.589 1.00 1.00 O ATOM 892 CB LYS A 60 10.305 4.248 -5.513 1.00 1.00 C ATOM 893 CG LYS A 60 11.332 4.692 -6.557 1.00 1.00 C ATOM 894 CD LYS A 60 11.550 6.205 -6.504 1.00 1.00 C ATOM 895 CE LYS A 60 12.926 6.581 -7.057 1.00 1.00 C ATOM 896 NZ LYS A 60 13.635 7.479 -6.118 1.00 1.00 N ATOM 0 H LYS A 60 10.779 2.315 -3.434 1.00 1.00 H new ATOM 0 HA LYS A 60 11.681 5.056 -4.139 1.00 1.00 H new ATOM 0 HB2 LYS A 60 9.970 3.235 -5.735 1.00 1.00 H new ATOM 0 HB3 LYS A 60 9.427 4.892 -5.564 1.00 1.00 H new ATOM 0 HG2 LYS A 60 12.278 4.179 -6.383 1.00 1.00 H new ATOM 0 HG3 LYS A 60 10.992 4.405 -7.552 1.00 1.00 H new ATOM 0 HD2 LYS A 60 10.773 6.708 -7.080 1.00 1.00 H new ATOM 0 HD3 LYS A 60 11.460 6.553 -5.475 1.00 1.00 H new ATOM 0 HE2 LYS A 60 13.516 5.680 -7.223 1.00 1.00 H new ATOM 0 HE3 LYS A 60 12.814 7.072 -8.024 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 14.567 7.724 -6.509 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 13.078 8.347 -5.980 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 13.759 6.998 -5.204 1.00 1.00 H new ATOM 909 N GLY A 61 9.056 3.788 -2.638 1.00 1.00 N ATOM 910 CA GLY A 61 8.052 4.059 -1.623 1.00 1.00 C ATOM 911 C GLY A 61 8.680 4.103 -0.228 1.00 1.00 C ATOM 912 O GLY A 61 9.893 4.016 -0.056 1.00 1.00 O ATOM 0 H GLY A 61 9.046 2.836 -3.005 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.562 5.009 -1.835 1.00 1.00 H new ATOM 0 HA3 GLY A 61 7.281 3.289 -1.654 1.00 1.00 H new ATOM 916 N PRO A 62 7.812 4.244 0.777 1.00 1.00 N ATOM 917 CA PRO A 62 8.185 4.308 2.173 1.00 1.00 C ATOM 918 C PRO A 62 8.556 2.916 2.667 1.00 1.00 C ATOM 919 O PRO A 62 7.887 1.955 2.291 1.00 1.00 O ATOM 920 CB PRO A 62 6.940 4.829 2.888 1.00 1.00 C ATOM 921 CG PRO A 62 5.804 4.159 2.011 1.00 1.00 C ATOM 922 CD PRO A 62 6.379 4.350 0.610 1.00 1.00 C ATOM 0 HA PRO A 62 9.048 4.950 2.353 1.00 1.00 H new ATOM 0 HB2 PRO A 62 6.899 4.515 3.931 1.00 1.00 H new ATOM 0 HB3 PRO A 62 6.882 5.917 2.880 1.00 1.00 H new ATOM 0 HG2 PRO A 62 5.656 3.108 2.258 1.00 1.00 H new ATOM 0 HG3 PRO A 62 4.840 4.654 2.134 1.00 1.00 H new ATOM 0 HD2 PRO A 62 6.004 3.592 -0.077 1.00 1.00 H new ATOM 0 HD3 PRO A 62 6.100 5.320 0.198 1.00 1.00 H new ATOM 930 N THR A 63 9.596 2.833 3.484 1.00 1.00 N ATOM 931 CA THR A 63 10.033 1.552 4.010 1.00 1.00 C ATOM 932 C THR A 63 10.450 1.692 5.476 1.00 1.00 C ATOM 933 O THR A 63 11.336 0.979 5.944 1.00 1.00 O ATOM 934 CB THR A 63 11.152 1.027 3.108 1.00 1.00 C ATOM 935 OG1 THR A 63 11.838 2.202 2.686 1.00 1.00 O ATOM 936 CG2 THR A 63 10.619 0.419 1.809 1.00 1.00 C ATOM 0 H THR A 63 10.148 3.632 3.794 1.00 1.00 H new ATOM 0 HA THR A 63 9.222 0.824 4.003 1.00 1.00 H new ATOM 0 HB THR A 63 11.733 0.279 3.648 1.00 1.00 H new ATOM 0 HG1 THR A 63 12.581 1.953 2.098 1.00 1.00 H new ATOM 0 HG21 THR A 63 11.453 0.062 1.205 1.00 1.00 H new ATOM 0 HG22 THR A 63 9.957 -0.415 2.042 1.00 1.00 H new ATOM 0 HG23 THR A 63 10.067 1.176 1.253 1.00 1.00 H new ATOM 944 N LYS A 64 9.791 2.616 6.160 1.00 1.00 N ATOM 945 CA LYS A 64 10.081 2.859 7.562 1.00 1.00 C ATOM 946 C LYS A 64 8.769 3.051 8.325 1.00 1.00 C ATOM 947 O LYS A 64 7.770 3.480 7.750 1.00 1.00 O ATOM 948 CB LYS A 64 11.057 4.028 7.713 1.00 1.00 C ATOM 949 CG LYS A 64 12.419 3.544 8.214 1.00 1.00 C ATOM 950 CD LYS A 64 12.328 3.053 9.661 1.00 1.00 C ATOM 951 CE LYS A 64 12.045 4.214 10.616 1.00 1.00 C ATOM 952 NZ LYS A 64 11.984 3.731 12.014 1.00 1.00 N ATOM 0 H LYS A 64 9.057 3.206 5.768 1.00 1.00 H new ATOM 0 HA LYS A 64 10.582 1.997 8.002 1.00 1.00 H new ATOM 0 HB2 LYS A 64 11.177 4.533 6.754 1.00 1.00 H new ATOM 0 HB3 LYS A 64 10.648 4.760 8.410 1.00 1.00 H new ATOM 0 HG2 LYS A 64 12.780 2.738 7.575 1.00 1.00 H new ATOM 0 HG3 LYS A 64 13.145 4.355 8.146 1.00 1.00 H new ATOM 0 HD2 LYS A 64 11.539 2.306 9.747 1.00 1.00 H new ATOM 0 HD3 LYS A 64 13.261 2.565 9.943 1.00 1.00 H new ATOM 0 HE2 LYS A 64 12.824 4.970 10.520 1.00 1.00 H new ATOM 0 HE3 LYS A 64 11.102 4.692 10.348 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 11.791 4.531 12.650 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 11.225 3.026 12.105 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 12.893 3.296 12.271 1.00 1.00 H new ATOM 965 N CYS A 65 8.814 2.724 9.608 1.00 1.00 N ATOM 966 CA CYS A 65 7.641 2.855 10.455 1.00 1.00 C ATOM 967 C CYS A 65 7.194 4.318 10.433 1.00 1.00 C ATOM 968 O CYS A 65 5.998 4.606 10.460 1.00 1.00 O ATOM 969 CB CYS A 65 7.912 2.363 11.878 1.00 1.00 C ATOM 970 SG CYS A 65 9.001 0.896 11.988 1.00 1.00 S ATOM 0 H CYS A 65 9.645 2.369 10.082 1.00 1.00 H new ATOM 0 HA CYS A 65 6.839 2.225 10.070 1.00 1.00 H new ATOM 0 HB2 CYS A 65 8.362 3.175 12.449 1.00 1.00 H new ATOM 0 HB3 CYS A 65 6.960 2.128 12.354 1.00 1.00 H new ATOM 975 N GLY A 66 8.178 5.204 10.385 1.00 1.00 N ATOM 976 CA GLY A 66 7.901 6.630 10.359 1.00 1.00 C ATOM 977 C GLY A 66 7.808 7.144 8.921 1.00 1.00 C ATOM 978 O GLY A 66 7.922 8.345 8.679 1.00 1.00 O ATOM 0 H GLY A 66 9.169 4.962 10.363 1.00 1.00 H new ATOM 0 HA2 GLY A 66 6.967 6.832 10.882 1.00 1.00 H new ATOM 0 HA3 GLY A 66 8.687 7.167 10.891 1.00 1.00 H new ATOM 982 N GLU A 67 7.602 6.210 8.004 1.00 1.00 N ATOM 983 CA GLU A 67 7.493 6.554 6.597 1.00 1.00 C ATOM 984 C GLU A 67 6.133 6.117 6.048 1.00 1.00 C ATOM 985 O GLU A 67 5.859 6.278 4.859 1.00 1.00 O ATOM 986 CB GLU A 67 8.635 5.933 5.790 1.00 1.00 C ATOM 987 CG GLU A 67 9.782 6.929 5.608 1.00 1.00 C ATOM 988 CD GLU A 67 10.899 6.329 4.752 1.00 1.00 C ATOM 989 OE1 GLU A 67 10.625 5.517 3.856 1.00 1.00 O ATOM 990 OE2 GLU A 67 12.088 6.735 5.045 1.00 1.00 O ATOM 0 H GLU A 67 7.508 5.215 8.208 1.00 1.00 H new ATOM 0 HA GLU A 67 7.571 7.637 6.501 1.00 1.00 H new ATOM 0 HB2 GLU A 67 9.001 5.041 6.298 1.00 1.00 H new ATOM 0 HB3 GLU A 67 8.266 5.616 4.815 1.00 1.00 H new ATOM 0 HG2 GLU A 67 9.407 7.838 5.138 1.00 1.00 H new ATOM 0 HG3 GLU A 67 10.179 7.214 6.582 1.00 1.00 H new ATOM 998 N CYS A 68 5.318 5.572 6.939 1.00 1.00 N ATOM 999 CA CYS A 68 3.994 5.111 6.558 1.00 1.00 C ATOM 1000 C CYS A 68 2.998 5.579 7.621 1.00 1.00 C ATOM 1001 O CYS A 68 2.100 6.368 7.331 1.00 1.00 O ATOM 1002 CB CYS A 68 3.956 3.593 6.371 1.00 1.00 C ATOM 1003 SG CYS A 68 3.880 3.184 4.589 1.00 1.00 S ATOM 0 H CYS A 68 5.549 5.439 7.924 1.00 1.00 H new ATOM 0 HA CYS A 68 3.722 5.538 5.593 1.00 1.00 H new ATOM 0 HB2 CYS A 68 4.841 3.141 6.819 1.00 1.00 H new ATOM 0 HB3 CYS A 68 3.090 3.176 6.885 1.00 1.00 H new ATOM 1008 N HIS A 69 3.191 5.073 8.830 1.00 1.00 N ATOM 1009 CA HIS A 69 2.320 5.430 9.938 1.00 1.00 C ATOM 1010 C HIS A 69 2.578 6.882 10.346 1.00 1.00 C ATOM 1011 O HIS A 69 3.615 7.192 10.931 1.00 1.00 O ATOM 1012 CB HIS A 69 2.489 4.449 11.099 1.00 1.00 C ATOM 1013 CG HIS A 69 2.133 3.023 10.755 1.00 1.00 C ATOM 1014 ND1 HIS A 69 0.829 2.603 10.556 1.00 1.00 N ATOM 1015 CD2 HIS A 69 2.923 1.925 10.576 1.00 1.00 C ATOM 1016 CE1 HIS A 69 0.846 1.309 10.271 1.00 1.00 C ATOM 1017 NE2 HIS A 69 2.144 0.891 10.285 1.00 1.00 N ATOM 0 H HIS A 69 3.937 4.419 9.067 1.00 1.00 H new ATOM 0 HA HIS A 69 1.278 5.357 9.625 1.00 1.00 H new ATOM 0 HB2 HIS A 69 3.523 4.482 11.441 1.00 1.00 H new ATOM 0 HB3 HIS A 69 1.867 4.777 11.932 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -0.003 3.190 10.618 1.00 1.00 H new ATOM 0 HD2 HIS A 69 4.000 1.901 10.657 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -0.017 0.693 10.064 1.00 1.00 H new ATOM 1025 N LYS A 70 1.617 7.734 10.021 1.00 1.00 N ATOM 1026 CA LYS A 70 1.727 9.146 10.347 1.00 1.00 C ATOM 1027 C LYS A 70 0.326 9.729 10.547 1.00 1.00 C ATOM 1028 O LYS A 70 -0.439 9.858 9.593 1.00 1.00 O ATOM 1029 CB LYS A 70 2.551 9.878 9.286 1.00 1.00 C ATOM 1030 CG LYS A 70 2.519 11.390 9.514 1.00 1.00 C ATOM 1031 CD LYS A 70 2.731 12.147 8.201 1.00 1.00 C ATOM 1032 CE LYS A 70 4.218 12.403 7.950 1.00 1.00 C ATOM 1033 NZ LYS A 70 4.679 13.578 8.723 1.00 1.00 N ATOM 0 H LYS A 70 0.759 7.474 9.535 1.00 1.00 H new ATOM 0 HA LYS A 70 2.266 9.280 11.285 1.00 1.00 H new ATOM 0 HB2 LYS A 70 3.582 9.524 9.313 1.00 1.00 H new ATOM 0 HB3 LYS A 70 2.161 9.648 8.295 1.00 1.00 H new ATOM 0 HG2 LYS A 70 1.562 11.675 9.952 1.00 1.00 H new ATOM 0 HG3 LYS A 70 3.293 11.670 10.229 1.00 1.00 H new ATOM 0 HD2 LYS A 70 2.313 11.573 7.374 1.00 1.00 H new ATOM 0 HD3 LYS A 70 2.195 13.096 8.233 1.00 1.00 H new ATOM 0 HE2 LYS A 70 4.797 11.524 8.233 1.00 1.00 H new ATOM 0 HE3 LYS A 70 4.390 12.569 6.887 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 5.690 13.738 8.541 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 4.138 14.418 8.434 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 4.533 13.405 9.738 1.00 1.00 H new ATOM 1046 N LYS A 71 0.034 10.066 11.795 1.00 1.00 N ATOM 1047 CA LYS A 71 -1.261 10.633 12.133 1.00 1.00 C ATOM 1048 C LYS A 71 -1.464 11.932 11.350 1.00 1.00 C ATOM 1049 O LYS A 71 -2.181 11.953 10.351 1.00 1.00 O ATOM 1050 CB LYS A 71 -1.393 10.801 13.648 1.00 1.00 C ATOM 1051 CG LYS A 71 -2.457 11.846 13.993 1.00 1.00 C ATOM 1052 CD LYS A 71 -3.331 11.375 15.156 1.00 1.00 C ATOM 1053 CE LYS A 71 -3.149 12.275 16.379 1.00 1.00 C ATOM 1054 NZ LYS A 71 -2.965 11.459 17.601 1.00 1.00 N ATOM 0 H LYS A 71 0.671 9.957 12.584 1.00 1.00 H new ATOM 0 HA LYS A 71 -2.062 9.955 11.840 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -1.656 9.846 14.102 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -0.433 11.101 14.069 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -1.975 12.788 14.254 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -3.080 12.038 13.120 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -4.378 11.376 14.852 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -3.075 10.348 15.415 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -2.285 12.924 16.235 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -4.019 12.922 16.494 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -2.843 12.086 18.422 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -3.801 10.858 17.746 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -2.122 10.860 17.495 1.00 1.00 H new TER 1067 LYS A 71 HETATM 1068 CHA HEM A 101 -8.990 -0.695 -4.051 1.00 1.00 C HETATM 1069 CHB HEM A 101 -9.191 -0.027 -8.871 1.00 1.00 C HETATM 1070 CHC HEM A 101 -4.326 0.061 -9.078 1.00 1.00 C HETATM 1071 CHD HEM A 101 -4.128 -0.896 -4.241 1.00 1.00 C HETATM 1072 C1A HEM A 101 -9.452 -0.580 -5.358 1.00 1.00 C HETATM 1073 C2A HEM A 101 -10.832 -0.743 -5.748 1.00 1.00 C HETATM 1074 C3A HEM A 101 -10.892 -0.559 -7.084 1.00 1.00 C HETATM 1075 C4A HEM A 101 -9.548 -0.279 -7.534 1.00 1.00 C HETATM 1076 CMA HEM A 101 -12.099 -0.623 -7.973 1.00 1.00 C HETATM 1077 CAA HEM A 101 -11.959 -1.060 -4.808 1.00 1.00 C HETATM 1078 CBA HEM A 101 -12.540 0.161 -4.102 1.00 1.00 C HETATM 1079 CGA HEM A 101 -12.602 -0.054 -2.597 1.00 1.00 C HETATM 1080 O1A HEM A 101 -13.547 -0.747 -2.161 1.00 1.00 O HETATM 1081 O2A HEM A 101 -11.704 0.478 -1.910 1.00 1.00 O HETATM 1082 C1B HEM A 101 -7.883 0.070 -9.333 1.00 1.00 C HETATM 1083 C2B HEM A 101 -7.524 0.322 -10.709 1.00 1.00 C HETATM 1084 C3B HEM A 101 -6.176 0.347 -10.769 1.00 1.00 C HETATM 1085 C4B HEM A 101 -5.686 0.111 -9.432 1.00 1.00 C HETATM 1086 CMB HEM A 101 -8.503 0.513 -11.830 1.00 1.00 C HETATM 1087 CAB HEM A 101 -5.309 0.573 -11.974 1.00 1.00 C HETATM 1088 CBB HEM A 101 -5.732 1.765 -12.828 1.00 1.00 C HETATM 1089 C1C HEM A 101 -3.822 -0.224 -7.730 1.00 1.00 C HETATM 1090 C2C HEM A 101 -2.437 -0.448 -7.388 1.00 1.00 C HETATM 1091 C3C HEM A 101 -2.394 -0.720 -6.066 1.00 1.00 C HETATM 1092 C4C HEM A 101 -3.752 -0.667 -5.577 1.00 1.00 C HETATM 1093 CMC HEM A 101 -1.291 -0.380 -8.355 1.00 1.00 C HETATM 1094 CAC HEM A 101 -1.189 -1.024 -5.224 1.00 1.00 C HETATM 1095 CBC HEM A 101 -0.026 -0.059 -5.433 1.00 1.00 C HETATM 1096 C1D HEM A 101 -5.441 -0.912 -3.783 1.00 1.00 C HETATM 1097 C2D HEM A 101 -5.818 -1.133 -2.407 1.00 1.00 C HETATM 1098 C3D HEM A 101 -7.165 -1.079 -2.351 1.00 1.00 C HETATM 1099 C4D HEM A 101 -7.636 -0.823 -3.692 1.00 1.00 C HETATM 1100 CMD HEM A 101 -4.855 -1.375 -1.281 1.00 1.00 C HETATM 1101 CAD HEM A 101 -8.048 -1.245 -1.148 1.00 1.00 C HETATM 1102 CBD HEM A 101 -7.743 -2.492 -0.323 1.00 1.00 C HETATM 1103 CGD HEM A 101 -7.070 -2.128 0.993 1.00 1.00 C HETATM 1104 O1D HEM A 101 -7.722 -1.414 1.785 1.00 1.00 O HETATM 1105 O2D HEM A 101 -5.916 -2.570 1.181 1.00 1.00 O HETATM 1106 NA HEM A 101 -8.671 -0.294 -6.464 1.00 1.00 N HETATM 1107 NB HEM A 101 -6.744 -0.058 -8.556 1.00 1.00 N HETATM 1108 NC HEM A 101 -4.622 -0.361 -6.609 1.00 1.00 N HETATM 1109 ND HEM A 101 -6.567 -0.722 -4.565 1.00 1.00 N HETATM 1110 FE HEM A 101 -6.486 -0.415 -6.652 1.00 1.00 FE HETATM 0 HMA1 HEM A 101 -11.962 0.047 -8.821 1.00 1.00 H new HETATM 0 HMA2 HEM A 101 -12.982 -0.320 -7.410 1.00 1.00 H new HETATM 0 HMA3 HEM A 101 -12.231 -1.643 -8.334 1.00 1.00 H new HETATM 0 HMB1 HEM A 101 -9.409 -0.057 -11.623 1.00 1.00 H new HETATM 0 HMB2 HEM A 101 -8.060 0.164 -12.763 1.00 1.00 H new HETATM 0 HMB3 HEM A 101 -8.752 1.570 -11.920 1.00 1.00 H new HETATM 0 HMC1 HEM A 101 -1.636 -0.667 -9.348 1.00 1.00 H new HETATM 0 HMC2 HEM A 101 -0.503 -1.061 -8.033 1.00 1.00 H new HETATM 0 HMC3 HEM A 101 -0.901 0.637 -8.386 1.00 1.00 H new HETATM 0 HMD1 HEM A 101 -5.279 -0.994 -0.352 1.00 1.00 H new HETATM 0 HMD2 HEM A 101 -3.916 -0.862 -1.489 1.00 1.00 H new HETATM 0 HMD3 HEM A 101 -4.670 -2.445 -1.184 1.00 1.00 H new HETATM 0 HBB1 HEM A 101 -5.170 2.018 -13.727 1.00 1.00 H new HETATM 0 HBB2 HEM A 101 -6.596 2.363 -12.539 1.00 1.00 H new HETATM 0 HBC1 HEM A 101 0.898 -0.190 -4.870 1.00 1.00 H new HETATM 0 HBC2 HEM A 101 -0.119 0.761 -6.145 1.00 1.00 H new HETATM 0 HBA1 HEM A 101 -13.540 0.365 -4.485 1.00 1.00 H new HETATM 0 HBA2 HEM A 101 -11.930 1.037 -4.322 1.00 1.00 H new HETATM 0 HAA1 HEM A 101 -11.605 -1.767 -4.057 1.00 1.00 H new HETATM 0 HAA2 HEM A 101 -12.753 -1.558 -5.364 1.00 1.00 H new HETATM 0 HBD1 HEM A 101 -7.097 -3.160 -0.893 1.00 1.00 H new HETATM 0 HBD2 HEM A 101 -8.667 -3.035 -0.124 1.00 1.00 H new HETATM 0 HAD1 HEM A 101 -9.087 -1.283 -1.475 1.00 1.00 H new HETATM 0 HAD2 HEM A 101 -7.946 -0.366 -0.511 1.00 1.00 H new HETATM 0 HHA HEM A 101 -9.722 -0.685 -3.257 1.00 1.00 H new HETATM 0 HHB HEM A 101 -9.988 0.100 -9.589 1.00 1.00 H new HETATM 0 HHC HEM A 101 -3.599 0.246 -9.855 1.00 1.00 H new HETATM 0 HHD HEM A 101 -3.342 -1.072 -3.521 1.00 1.00 H new HETATM 0 HAB HEM A 101 -4.454 -0.058 -12.217 1.00 1.00 H new HETATM 0 HAC HEM A 101 -1.149 -1.860 -4.525 1.00 1.00 H new HETATM 1111 CHA HEM A 102 5.262 5.497 -2.689 1.00 1.00 C HETATM 1112 CHB HEM A 102 2.106 3.637 0.520 1.00 1.00 C HETATM 1113 CHC HEM A 102 1.814 -0.445 -2.122 1.00 1.00 C HETATM 1114 CHD HEM A 102 5.190 1.334 -5.216 1.00 1.00 C HETATM 1115 C1A HEM A 102 4.399 5.348 -1.609 1.00 1.00 C HETATM 1116 C2A HEM A 102 4.119 6.385 -0.644 1.00 1.00 C HETATM 1117 C3A HEM A 102 3.244 5.872 0.247 1.00 1.00 C HETATM 1118 C4A HEM A 102 2.974 4.513 -0.157 1.00 1.00 C HETATM 1119 CMA HEM A 102 2.641 6.549 1.444 1.00 1.00 C HETATM 1120 CAA HEM A 102 4.713 7.763 -0.668 1.00 1.00 C HETATM 1121 CBA HEM A 102 4.721 8.413 -2.049 1.00 1.00 C HETATM 1122 CGA HEM A 102 3.935 9.716 -2.045 1.00 1.00 C HETATM 1123 O1A HEM A 102 2.809 9.701 -2.588 1.00 1.00 O HETATM 1124 O2A HEM A 102 4.474 10.703 -1.500 1.00 1.00 O HETATM 1125 C1B HEM A 102 1.749 2.372 0.064 1.00 1.00 C HETATM 1126 C2B HEM A 102 0.795 1.511 0.723 1.00 1.00 C HETATM 1127 C3B HEM A 102 0.712 0.379 -0.007 1.00 1.00 C HETATM 1128 C4B HEM A 102 1.614 0.527 -1.125 1.00 1.00 C HETATM 1129 CMB HEM A 102 0.057 1.854 1.984 1.00 1.00 C HETATM 1130 CAB HEM A 102 -0.140 -0.829 0.255 1.00 1.00 C HETATM 1131 CBB HEM A 102 -1.574 -0.500 0.663 1.00 1.00 C HETATM 1132 C1C HEM A 102 2.789 -0.361 -3.196 1.00 1.00 C HETATM 1133 C2C HEM A 102 3.109 -1.401 -4.145 1.00 1.00 C HETATM 1134 C3C HEM A 102 4.028 -0.895 -4.994 1.00 1.00 C HETATM 1135 C4C HEM A 102 4.286 0.464 -4.580 1.00 1.00 C HETATM 1136 CMC HEM A 102 2.507 -2.776 -4.147 1.00 1.00 C HETATM 1137 CAC HEM A 102 4.683 -1.576 -6.160 1.00 1.00 C HETATM 1138 CBC HEM A 102 3.916 -2.787 -6.683 1.00 1.00 C HETATM 1139 C1D HEM A 102 5.421 2.651 -4.832 1.00 1.00 C HETATM 1140 C2D HEM A 102 6.134 3.617 -5.633 1.00 1.00 C HETATM 1141 C3D HEM A 102 6.156 4.773 -4.935 1.00 1.00 C HETATM 1142 C4D HEM A 102 5.457 4.533 -3.695 1.00 1.00 C HETATM 1143 CMD HEM A 102 6.725 3.343 -6.985 1.00 1.00 C HETATM 1144 CAD HEM A 102 6.777 6.080 -5.332 1.00 1.00 C HETATM 1145 CBD HEM A 102 6.418 6.534 -6.744 1.00 1.00 C HETATM 1146 CGD HEM A 102 7.413 5.996 -7.762 1.00 1.00 C HETATM 1147 O1D HEM A 102 8.609 5.927 -7.406 1.00 1.00 O HETATM 1148 O2D HEM A 102 6.959 5.662 -8.878 1.00 1.00 O HETATM 1149 NA HEM A 102 3.690 4.200 -1.300 1.00 1.00 N HETATM 1150 NB HEM A 102 2.247 1.757 -1.071 1.00 1.00 N HETATM 1151 NC HEM A 102 3.518 0.783 -3.473 1.00 1.00 N HETATM 1152 ND HEM A 102 5.008 3.225 -3.642 1.00 1.00 N HETATM 1153 FE HEM A 102 3.750 2.509 -2.409 1.00 1.00 FE HETATM 0 HMA1 HEM A 102 3.339 7.291 1.832 1.00 1.00 H new HETATM 0 HMA2 HEM A 102 2.434 5.807 2.215 1.00 1.00 H new HETATM 0 HMA3 HEM A 102 1.712 7.041 1.154 1.00 1.00 H new HETATM 0 HMB1 HEM A 102 -0.912 1.356 1.985 1.00 1.00 H new HETATM 0 HMB2 HEM A 102 -0.090 2.933 2.038 1.00 1.00 H new HETATM 0 HMB3 HEM A 102 0.636 1.523 2.846 1.00 1.00 H new HETATM 0 HMC1 HEM A 102 2.474 -3.157 -5.168 1.00 1.00 H new HETATM 0 HMC2 HEM A 102 1.495 -2.731 -3.743 1.00 1.00 H new HETATM 0 HMC3 HEM A 102 3.114 -3.440 -3.531 1.00 1.00 H new HETATM 0 HMD1 HEM A 102 7.018 2.295 -7.048 1.00 1.00 H new HETATM 0 HMD2 HEM A 102 7.601 3.974 -7.134 1.00 1.00 H new HETATM 0 HMD3 HEM A 102 5.986 3.560 -7.756 1.00 1.00 H new HETATM 0 HBB1 HEM A 102 -2.278 -1.304 0.877 1.00 1.00 H new HETATM 0 HBB2 HEM A 102 -1.894 0.539 0.740 1.00 1.00 H new HETATM 0 HBC1 HEM A 102 4.305 -3.355 -7.529 1.00 1.00 H new HETATM 0 HBC2 HEM A 102 2.980 -3.084 -6.211 1.00 1.00 H new HETATM 0 HBA1 HEM A 102 4.291 7.728 -2.780 1.00 1.00 H new HETATM 0 HBA2 HEM A 102 5.748 8.605 -2.358 1.00 1.00 H new HETATM 0 HAA1 HEM A 102 5.736 7.713 -0.296 1.00 1.00 H new HETATM 0 HAA2 HEM A 102 4.155 8.400 0.018 1.00 1.00 H new HETATM 0 HBD1 HEM A 102 6.403 7.623 -6.786 1.00 1.00 H new HETATM 0 HBD2 HEM A 102 5.414 6.191 -6.995 1.00 1.00 H new HETATM 0 HAD1 HEM A 102 7.861 5.994 -5.253 1.00 1.00 H new HETATM 0 HAD2 HEM A 102 6.466 6.848 -4.624 1.00 1.00 H new HETATM 0 HHA HEM A 102 5.822 6.418 -2.761 1.00 1.00 H new HETATM 0 HHB HEM A 102 1.688 3.969 1.459 1.00 1.00 H new HETATM 0 HHC HEM A 102 1.191 -1.327 -2.086 1.00 1.00 H new HETATM 0 HHD HEM A 102 5.743 0.953 -6.062 1.00 1.00 H new HETATM 0 HAB HEM A 102 0.232 -1.849 0.162 1.00 1.00 H new HETATM 0 HAC HEM A 102 5.623 -1.236 -6.595 1.00 1.00 H new HETATM 1154 CHA HEM A 103 -0.506 -2.014 10.454 1.00 1.00 C HETATM 1155 CHB HEM A 103 3.580 -1.542 13.063 1.00 1.00 C HETATM 1156 CHC HEM A 103 5.957 0.043 9.118 1.00 1.00 C HETATM 1157 CHD HEM A 103 1.689 0.014 6.609 1.00 1.00 C HETATM 1158 C1A HEM A 103 0.403 -1.994 11.507 1.00 1.00 C HETATM 1159 C2A HEM A 103 0.069 -2.316 12.874 1.00 1.00 C HETATM 1160 C3A HEM A 103 1.200 -2.186 13.600 1.00 1.00 C HETATM 1161 C4A HEM A 103 2.245 -1.782 12.689 1.00 1.00 C HETATM 1162 CMA HEM A 103 1.383 -2.409 15.073 1.00 1.00 C HETATM 1163 CAA HEM A 103 -1.296 -2.717 13.354 1.00 1.00 C HETATM 1164 CBA HEM A 103 -2.231 -1.540 13.618 1.00 1.00 C HETATM 1165 CGA HEM A 103 -2.805 -1.602 15.026 1.00 1.00 C HETATM 1166 O1A HEM A 103 -2.050 -2.023 15.929 1.00 1.00 O HETATM 1167 O2A HEM A 103 -3.989 -1.228 15.173 1.00 1.00 O HETATM 1168 C1B HEM A 103 4.587 -1.156 12.185 1.00 1.00 C HETATM 1169 C2B HEM A 103 5.995 -1.173 12.506 1.00 1.00 C HETATM 1170 C3B HEM A 103 6.657 -0.734 11.415 1.00 1.00 C HETATM 1171 C4B HEM A 103 5.666 -0.441 10.407 1.00 1.00 C HETATM 1172 CMB HEM A 103 6.569 -1.606 13.823 1.00 1.00 C HETATM 1173 CAB HEM A 103 8.138 -0.567 11.238 1.00 1.00 C HETATM 1174 CBB HEM A 103 8.950 -1.806 11.600 1.00 1.00 C HETATM 1175 C1C HEM A 103 4.961 0.176 8.018 1.00 1.00 C HETATM 1176 C2C HEM A 103 5.196 0.817 6.746 1.00 1.00 C HETATM 1177 C3C HEM A 103 4.019 0.830 6.085 1.00 1.00 C HETATM 1178 C4C HEM A 103 3.044 0.196 6.941 1.00 1.00 C HETATM 1179 CMC HEM A 103 6.520 1.355 6.286 1.00 1.00 C HETATM 1180 CAC HEM A 103 3.732 1.385 4.720 1.00 1.00 C HETATM 1181 CBC HEM A 103 4.654 0.853 3.627 1.00 1.00 C HETATM 1182 C1D HEM A 103 0.752 -0.602 7.431 1.00 1.00 C HETATM 1183 C2D HEM A 103 -0.572 -0.990 7.004 1.00 1.00 C HETATM 1184 C3D HEM A 103 -1.183 -1.552 8.068 1.00 1.00 C HETATM 1185 C4D HEM A 103 -0.244 -1.519 9.164 1.00 1.00 C HETATM 1186 CMD HEM A 103 -1.123 -0.785 5.623 1.00 1.00 C HETATM 1187 CAD HEM A 103 -2.572 -2.118 8.143 1.00 1.00 C HETATM 1188 CBD HEM A 103 -3.647 -1.202 7.566 1.00 1.00 C HETATM 1189 CGD HEM A 103 -4.191 -1.753 6.255 1.00 1.00 C HETATM 1190 O1D HEM A 103 -3.353 -2.108 5.398 1.00 1.00 O HETATM 1191 O2D HEM A 103 -5.434 -1.810 6.136 1.00 1.00 O HETATM 1192 NA HEM A 103 1.744 -1.667 11.404 1.00 1.00 N HETATM 1193 NB HEM A 103 4.396 -0.704 10.891 1.00 1.00 N HETATM 1194 NC HEM A 103 3.635 -0.202 8.128 1.00 1.00 N HETATM 1195 ND HEM A 103 0.943 -0.932 8.761 1.00 1.00 N HETATM 1196 FE HEM A 103 2.727 -0.806 9.867 1.00 1.00 FE HETATM 0 HMA1 HEM A 103 0.453 -2.181 15.594 1.00 1.00 H new HETATM 0 HMA2 HEM A 103 2.175 -1.759 15.444 1.00 1.00 H new HETATM 0 HMA3 HEM A 103 1.654 -3.449 15.253 1.00 1.00 H new HETATM 0 HMB1 HEM A 103 5.854 -1.395 14.618 1.00 1.00 H new HETATM 0 HMB2 HEM A 103 7.495 -1.062 14.013 1.00 1.00 H new HETATM 0 HMB3 HEM A 103 6.776 -2.676 13.796 1.00 1.00 H new HETATM 0 HMC1 HEM A 103 7.100 1.682 7.149 1.00 1.00 H new HETATM 0 HMC2 HEM A 103 6.357 2.200 5.618 1.00 1.00 H new HETATM 0 HMC3 HEM A 103 7.066 0.574 5.757 1.00 1.00 H new HETATM 0 HMD1 HEM A 103 -1.843 -1.572 5.398 1.00 1.00 H new HETATM 0 HMD2 HEM A 103 -0.310 -0.819 4.898 1.00 1.00 H new HETATM 0 HMD3 HEM A 103 -1.617 0.185 5.569 1.00 1.00 H new HETATM 0 HBB1 HEM A 103 10.036 -1.792 11.508 1.00 1.00 H new HETATM 0 HBB2 HEM A 103 8.444 -2.706 11.951 1.00 1.00 H new HETATM 0 HBC1 HEM A 103 4.532 1.192 2.598 1.00 1.00 H new HETATM 0 HBC2 HEM A 103 5.435 0.134 3.875 1.00 1.00 H new HETATM 0 HBA1 HEM A 103 -3.043 -1.546 12.890 1.00 1.00 H new HETATM 0 HBA2 HEM A 103 -1.689 -0.604 13.484 1.00 1.00 H new HETATM 0 HAA1 HEM A 103 -1.192 -3.298 14.270 1.00 1.00 H new HETATM 0 HAA2 HEM A 103 -1.753 -3.372 12.612 1.00 1.00 H new HETATM 0 HBD1 HEM A 103 -3.232 -0.208 7.402 1.00 1.00 H new HETATM 0 HBD2 HEM A 103 -4.460 -1.093 8.284 1.00 1.00 H new HETATM 0 HAD1 HEM A 103 -2.811 -2.330 9.185 1.00 1.00 H new HETATM 0 HAD2 HEM A 103 -2.595 -3.069 7.610 1.00 1.00 H new HETATM 0 HHA HEM A 103 -1.481 -2.439 10.640 1.00 1.00 H new HETATM 0 HHB HEM A 103 3.841 -1.666 14.104 1.00 1.00 H new HETATM 0 HHC HEM A 103 6.975 0.339 8.911 1.00 1.00 H new HETATM 0 HHD HEM A 103 1.353 0.378 5.649 1.00 1.00 H new HETATM 0 HAB HEM A 103 8.593 0.358 10.882 1.00 1.00 H new HETATM 0 HAC HEM A 103 2.936 2.104 4.527 1.00 1.00 H new