USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=8 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= -4.34! C(o=-4.5!,f=-7.7!) USER MOD Set 1.2: A 103 HEM CMA :methyl 150:sc= -0.197 (180deg=-0.152) USER MOD Single : A 1 ALA N :NH3+ -126:sc= 0.145 (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= -7.88! C(o=-7.9!,f=-14!) 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+ 173:sc= -0.519 (180deg=-0.875) 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+ 180:sc= 0 (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= -0.216 (180deg=-0.304) USER MOD Single : A 101 HEM CMB :methyl -30:sc= -1.4 (180deg=-4.34!) USER MOD Single : A 101 HEM CMC :methyl -30:sc= -1.68 (180deg=-3.75!) USER MOD Single : A 101 HEM CMD :methyl 150:sc= -4.34! (180deg=-4.34!) USER MOD Single : A 102 HEM CMA :methyl 150:sc= -0.152 (180deg=-0.152) USER MOD Single : A 102 HEM CMB :methyl 150:sc= -6.28! (180deg=-6.28!) USER MOD Single : A 102 HEM CMC :methyl 150:sc= -11! (180deg=-11!) USER MOD Single : A 102 HEM CMD :methyl 150:sc= -1.44 (180deg=-1.44) USER MOD Single : A 103 HEM CMB :methyl -30:sc= -0.266 (180deg=-1.69) USER MOD Single : A 103 HEM CMC :methyl -30:sc= -4.71! (180deg=-6.35!) USER MOD Single : A 103 HEM CMD :methyl 150:sc= -1.98 (180deg=-1.98) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.270 11.137 -1.631 1.00 1.00 N ATOM 2 CA ALA A 1 -10.831 10.905 -2.997 1.00 1.00 C ATOM 3 C ALA A 1 -10.156 9.535 -3.086 1.00 1.00 C ATOM 4 O ALA A 1 -10.267 8.723 -2.168 1.00 1.00 O ATOM 5 CB ALA A 1 -9.904 12.040 -3.435 1.00 1.00 C ATOM 0 H1 ALA A 1 -12.283 11.373 -1.627 1.00 1.00 H new ATOM 0 H2 ALA A 1 -11.112 10.279 -1.065 1.00 1.00 H new ATOM 0 H3 ALA A 1 -10.729 11.925 -1.222 1.00 1.00 H new ATOM 0 HA ALA A 1 -11.683 10.898 -3.677 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -9.575 11.866 -4.459 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -10.439 12.988 -3.382 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -9.036 12.076 -2.776 1.00 1.00 H new ATOM 11 N ASP A 2 -9.472 9.319 -4.199 1.00 1.00 N ATOM 12 CA ASP A 2 -8.779 8.060 -4.420 1.00 1.00 C ATOM 13 C ASP A 2 -8.123 7.609 -3.114 1.00 1.00 C ATOM 14 O ASP A 2 -8.129 6.422 -2.790 1.00 1.00 O ATOM 15 CB ASP A 2 -7.680 8.214 -5.473 1.00 1.00 C ATOM 16 CG ASP A 2 -7.848 7.337 -6.716 1.00 1.00 C ATOM 17 OD1 ASP A 2 -7.795 6.101 -6.637 1.00 1.00 O ATOM 18 OD2 ASP A 2 -8.043 7.982 -7.816 1.00 1.00 O ATOM 0 H ASP A 2 -9.382 9.994 -4.958 1.00 1.00 H new ATOM 0 HA ASP A 2 -9.509 7.329 -4.766 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -7.641 9.257 -5.786 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -6.720 7.983 -5.011 1.00 1.00 H new ATOM 24 N ASP A 3 -7.572 8.579 -2.399 1.00 1.00 N ATOM 25 CA ASP A 3 -6.912 8.296 -1.136 1.00 1.00 C ATOM 26 C ASP A 3 -7.709 7.234 -0.376 1.00 1.00 C ATOM 27 O ASP A 3 -8.855 7.468 0.005 1.00 1.00 O ATOM 28 CB ASP A 3 -6.839 9.549 -0.260 1.00 1.00 C ATOM 29 CG ASP A 3 -6.577 9.286 1.224 1.00 1.00 C ATOM 30 OD1 ASP A 3 -6.118 8.200 1.609 1.00 1.00 O ATOM 31 OD2 ASP A 3 -6.869 10.265 2.011 1.00 1.00 O ATOM 0 H ASP A 3 -7.569 9.562 -2.671 1.00 1.00 H new ATOM 0 HA ASP A 3 -5.902 7.948 -1.354 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -6.051 10.197 -0.643 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -7.776 10.097 -0.357 1.00 1.00 H new ATOM 37 N ILE A 4 -7.071 6.090 -0.178 1.00 1.00 N ATOM 38 CA ILE A 4 -7.706 4.991 0.529 1.00 1.00 C ATOM 39 C ILE A 4 -7.047 4.824 1.900 1.00 1.00 C ATOM 40 O ILE A 4 -6.155 3.994 2.066 1.00 1.00 O ATOM 41 CB ILE A 4 -7.684 3.721 -0.323 1.00 1.00 C ATOM 42 CG1 ILE A 4 -8.887 3.673 -1.267 1.00 1.00 C ATOM 43 CG2 ILE A 4 -7.596 2.472 0.556 1.00 1.00 C ATOM 44 CD1 ILE A 4 -8.841 2.425 -2.151 1.00 1.00 C ATOM 0 H ILE A 4 -6.120 5.900 -0.495 1.00 1.00 H new ATOM 0 HA ILE A 4 -8.759 5.210 0.705 1.00 1.00 H new ATOM 0 HB ILE A 4 -6.788 3.742 -0.943 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -9.810 3.678 -0.687 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -8.899 4.566 -1.892 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -7.582 1.583 -0.075 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -6.683 2.509 1.151 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -8.460 2.432 1.219 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -9.707 2.415 -2.812 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -7.929 2.435 -2.748 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -8.854 1.534 -1.523 1.00 1.00 H new ATOM 56 N VAL A 5 -7.512 5.625 2.847 1.00 1.00 N ATOM 57 CA VAL A 5 -6.979 5.576 4.197 1.00 1.00 C ATOM 58 C VAL A 5 -7.319 4.224 4.826 1.00 1.00 C ATOM 59 O VAL A 5 -8.483 3.830 4.869 1.00 1.00 O ATOM 60 CB VAL A 5 -7.503 6.762 5.010 1.00 1.00 C ATOM 61 CG1 VAL A 5 -6.869 6.796 6.402 1.00 1.00 C ATOM 62 CG2 VAL A 5 -7.270 8.080 4.269 1.00 1.00 C ATOM 0 H VAL A 5 -8.253 6.312 2.706 1.00 1.00 H new ATOM 0 HA VAL A 5 -5.893 5.664 4.182 1.00 1.00 H new ATOM 0 HB VAL A 5 -8.578 6.633 5.135 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -7.259 7.648 6.959 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -7.109 5.875 6.934 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -5.787 6.889 6.307 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -7.651 8.907 4.868 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -6.202 8.218 4.099 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -7.790 8.056 3.311 1.00 1.00 H new ATOM 72 N LEU A 6 -6.281 3.550 5.300 1.00 1.00 N ATOM 73 CA LEU A 6 -6.455 2.250 5.925 1.00 1.00 C ATOM 74 C LEU A 6 -6.732 2.439 7.417 1.00 1.00 C ATOM 75 O LEU A 6 -6.678 3.558 7.925 1.00 1.00 O ATOM 76 CB LEU A 6 -5.253 1.349 5.631 1.00 1.00 C ATOM 77 CG LEU A 6 -5.118 0.859 4.188 1.00 1.00 C ATOM 78 CD1 LEU A 6 -3.717 0.304 3.927 1.00 1.00 C ATOM 79 CD2 LEU A 6 -6.210 -0.158 3.851 1.00 1.00 C ATOM 0 H LEU A 6 -5.317 3.880 5.264 1.00 1.00 H new ATOM 0 HA LEU A 6 -7.319 1.737 5.503 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -4.345 1.891 5.896 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -5.308 0.479 6.285 1.00 1.00 H new ATOM 0 HG LEU A 6 -5.255 1.711 3.523 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -3.648 -0.038 2.894 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -2.978 1.086 4.101 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -3.526 -0.532 4.599 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.092 -0.491 2.820 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -6.129 -1.015 4.520 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.189 0.306 3.973 1.00 1.00 H new ATOM 91 N LYS A 7 -7.023 1.328 8.078 1.00 1.00 N ATOM 92 CA LYS A 7 -7.308 1.358 9.503 1.00 1.00 C ATOM 93 C LYS A 7 -6.060 0.930 10.278 1.00 1.00 C ATOM 94 O LYS A 7 -5.639 -0.222 10.196 1.00 1.00 O ATOM 95 CB LYS A 7 -8.546 0.516 9.818 1.00 1.00 C ATOM 96 CG LYS A 7 -8.411 -0.895 9.242 1.00 1.00 C ATOM 97 CD LYS A 7 -9.119 -1.920 10.131 1.00 1.00 C ATOM 98 CE LYS A 7 -10.583 -2.084 9.721 1.00 1.00 C ATOM 99 NZ LYS A 7 -10.818 -3.435 9.165 1.00 1.00 N ATOM 0 H LYS A 7 -7.068 0.402 7.653 1.00 1.00 H new ATOM 0 HA LYS A 7 -7.549 2.372 9.822 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -8.687 0.460 10.897 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -9.432 0.998 9.405 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -8.835 -0.924 8.238 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -7.356 -1.155 9.150 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -8.609 -2.881 10.062 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -9.063 -1.604 11.173 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -11.229 -1.922 10.584 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -10.846 -1.329 8.980 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -11.817 -3.529 8.892 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -10.216 -3.576 8.329 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -10.587 -4.151 9.883 1.00 1.00 H new ATOM 112 N ALA A 8 -5.503 1.883 11.012 1.00 1.00 N ATOM 113 CA ALA A 8 -4.312 1.620 11.800 1.00 1.00 C ATOM 114 C ALA A 8 -4.223 2.639 12.938 1.00 1.00 C ATOM 115 O ALA A 8 -3.969 3.819 12.700 1.00 1.00 O ATOM 116 CB ALA A 8 -3.081 1.651 10.892 1.00 1.00 C ATOM 0 H ALA A 8 -5.855 2.838 11.077 1.00 1.00 H new ATOM 0 HA ALA A 8 -4.361 0.628 12.249 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -2.187 1.454 11.484 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -3.180 0.889 10.119 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -2.998 2.633 10.425 1.00 1.00 H new ATOM 122 N LYS A 9 -4.437 2.147 14.149 1.00 1.00 N ATOM 123 CA LYS A 9 -4.384 3.000 15.324 1.00 1.00 C ATOM 124 C LYS A 9 -2.940 3.448 15.559 1.00 1.00 C ATOM 125 O LYS A 9 -2.683 4.310 16.398 1.00 1.00 O ATOM 126 CB LYS A 9 -5.014 2.296 16.527 1.00 1.00 C ATOM 127 CG LYS A 9 -4.117 1.162 17.029 1.00 1.00 C ATOM 128 CD LYS A 9 -3.397 1.563 18.319 1.00 1.00 C ATOM 129 CE LYS A 9 -2.470 0.446 18.799 1.00 1.00 C ATOM 130 NZ LYS A 9 -1.503 0.965 19.792 1.00 1.00 N ATOM 0 H LYS A 9 -4.648 1.168 14.342 1.00 1.00 H new ATOM 0 HA LYS A 9 -4.976 3.902 15.167 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -5.180 3.016 17.329 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -5.990 1.897 16.250 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -4.717 0.270 17.206 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -3.384 0.907 16.263 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -2.820 2.472 18.150 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -4.130 1.790 19.093 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -3.058 -0.358 19.241 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -1.935 0.020 17.950 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -0.881 0.193 20.107 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -0.930 1.716 19.358 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -2.018 1.351 20.609 1.00 1.00 H new ATOM 143 N ASN A 10 -2.036 2.841 14.805 1.00 1.00 N ATOM 144 CA ASN A 10 -0.624 3.166 14.921 1.00 1.00 C ATOM 145 C ASN A 10 -0.299 4.343 13.999 1.00 1.00 C ATOM 146 O ASN A 10 0.847 4.785 13.932 1.00 1.00 O ATOM 147 CB ASN A 10 0.250 1.982 14.503 1.00 1.00 C ATOM 148 CG ASN A 10 0.041 0.789 15.438 1.00 1.00 C ATOM 149 OD1 ASN A 10 -0.962 0.096 15.387 1.00 1.00 O ATOM 150 ND2 ASN A 10 1.041 0.590 16.292 1.00 1.00 N ATOM 0 H ASN A 10 -2.253 2.126 14.111 1.00 1.00 H new ATOM 0 HA ASN A 10 -0.419 3.415 15.962 1.00 1.00 H new ATOM 0 HB2 ASN A 10 0.011 1.693 13.480 1.00 1.00 H new ATOM 0 HB3 ASN A 10 1.299 2.278 14.514 1.00 1.00 H new ATOM 0 HD21 ASN A 10 0.997 -0.181 16.958 1.00 1.00 H new ATOM 0 HD22 ASN A 10 1.852 1.208 16.281 1.00 1.00 H new ATOM 157 N GLY A 11 -1.327 4.816 13.311 1.00 1.00 N ATOM 158 CA GLY A 11 -1.165 5.933 12.396 1.00 1.00 C ATOM 159 C GLY A 11 -1.651 5.567 10.992 1.00 1.00 C ATOM 160 O GLY A 11 -1.038 4.744 10.314 1.00 1.00 O ATOM 0 H GLY A 11 -2.276 4.446 13.369 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -1.723 6.794 12.765 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -0.116 6.226 12.357 1.00 1.00 H new ATOM 164 N ASP A 12 -2.748 6.196 10.597 1.00 1.00 N ATOM 165 CA ASP A 12 -3.323 5.947 9.286 1.00 1.00 C ATOM 166 C ASP A 12 -2.204 5.895 8.244 1.00 1.00 C ATOM 167 O ASP A 12 -1.194 6.584 8.379 1.00 1.00 O ATOM 168 CB ASP A 12 -4.289 7.064 8.887 1.00 1.00 C ATOM 169 CG ASP A 12 -5.773 6.707 8.998 1.00 1.00 C ATOM 170 OD1 ASP A 12 -6.649 7.578 8.894 1.00 1.00 O ATOM 171 OD2 ASP A 12 -6.018 5.457 9.205 1.00 1.00 O ATOM 0 H ASP A 12 -3.254 6.878 11.162 1.00 1.00 H new ATOM 0 HA ASP A 12 -3.863 5.001 9.329 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -4.092 7.934 9.513 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -4.077 7.357 7.859 1.00 1.00 H new ATOM 177 N VAL A 13 -2.421 5.072 7.229 1.00 1.00 N ATOM 178 CA VAL A 13 -1.444 4.921 6.165 1.00 1.00 C ATOM 179 C VAL A 13 -2.062 5.377 4.842 1.00 1.00 C ATOM 180 O VAL A 13 -2.563 4.558 4.072 1.00 1.00 O ATOM 181 CB VAL A 13 -0.935 3.479 6.122 1.00 1.00 C ATOM 182 CG1 VAL A 13 0.139 3.308 5.046 1.00 1.00 C ATOM 183 CG2 VAL A 13 -0.414 3.040 7.492 1.00 1.00 C ATOM 0 H VAL A 13 -3.260 4.502 7.121 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.575 5.552 6.352 1.00 1.00 H new ATOM 0 HB VAL A 13 -1.775 2.835 5.861 1.00 1.00 H new ATOM 0 HG11 VAL A 13 0.483 2.274 5.037 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.279 3.560 4.071 1.00 1.00 H new ATOM 0 HG13 VAL A 13 0.979 3.968 5.262 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -0.058 2.011 7.433 1.00 1.00 H new ATOM 0 HG22 VAL A 13 0.406 3.691 7.795 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -1.218 3.105 8.225 1.00 1.00 H new ATOM 193 N LYS A 14 -2.007 6.681 4.618 1.00 1.00 N ATOM 194 CA LYS A 14 -2.555 7.255 3.401 1.00 1.00 C ATOM 195 C LYS A 14 -1.881 6.610 2.188 1.00 1.00 C ATOM 196 O LYS A 14 -0.683 6.786 1.973 1.00 1.00 O ATOM 197 CB LYS A 14 -2.440 8.781 3.429 1.00 1.00 C ATOM 198 CG LYS A 14 -2.725 9.378 2.049 1.00 1.00 C ATOM 199 CD LYS A 14 -1.732 10.495 1.719 1.00 1.00 C ATOM 200 CE LYS A 14 -1.154 10.317 0.314 1.00 1.00 C ATOM 201 NZ LYS A 14 -0.854 11.633 -0.293 1.00 1.00 N ATOM 0 H LYS A 14 -1.591 7.357 5.259 1.00 1.00 H new ATOM 0 HA LYS A 14 -3.621 7.040 3.325 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -3.141 9.189 4.157 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -1.440 9.068 3.754 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -2.664 8.597 1.291 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -3.742 9.770 2.021 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -2.230 11.462 1.792 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -0.924 10.496 2.451 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -0.246 9.716 0.361 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -1.863 9.774 -0.311 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -0.462 11.494 -1.246 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -1.728 12.194 -0.356 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -0.161 12.137 0.296 1.00 1.00 H new ATOM 214 N LEU A 15 -2.680 5.876 1.428 1.00 1.00 N ATOM 215 CA LEU A 15 -2.176 5.203 0.243 1.00 1.00 C ATOM 216 C LEU A 15 -2.700 5.916 -1.005 1.00 1.00 C ATOM 217 O LEU A 15 -3.858 5.785 -1.393 1.00 1.00 O ATOM 218 CB LEU A 15 -2.516 3.712 0.288 1.00 1.00 C ATOM 219 CG LEU A 15 -2.495 2.979 -1.055 1.00 1.00 C ATOM 220 CD1 LEU A 15 -1.104 2.415 -1.350 1.00 1.00 C ATOM 221 CD2 LEU A 15 -3.575 1.897 -1.105 1.00 1.00 C ATOM 0 H LEU A 15 -3.673 5.732 1.610 1.00 1.00 H new ATOM 0 HA LEU A 15 -1.088 5.257 0.208 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -1.813 3.219 0.959 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -3.508 3.599 0.726 1.00 1.00 H new ATOM 0 HG LEU A 15 -2.723 3.699 -1.841 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -1.117 1.899 -2.310 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -0.381 3.230 -1.386 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -0.822 1.714 -0.565 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -3.539 1.391 -2.070 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -3.402 1.173 -0.309 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -4.555 2.355 -0.972 1.00 1.00 H new ATOM 233 N PRO A 16 -1.807 6.685 -1.632 1.00 1.00 N ATOM 234 CA PRO A 16 -2.085 7.448 -2.830 1.00 1.00 C ATOM 235 C PRO A 16 -2.535 6.508 -3.940 1.00 1.00 C ATOM 236 O PRO A 16 -1.833 6.395 -4.944 1.00 1.00 O ATOM 237 CB PRO A 16 -0.760 8.118 -3.185 1.00 1.00 C ATOM 238 CG PRO A 16 0.056 8.096 -1.956 1.00 1.00 C ATOM 239 CD PRO A 16 -0.436 6.862 -1.203 1.00 1.00 C ATOM 0 HA PRO A 16 -2.879 8.181 -2.691 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -0.259 7.586 -3.994 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -0.920 9.140 -3.527 1.00 1.00 H new ATOM 0 HG2 PRO A 16 1.119 8.025 -2.185 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -0.084 9.003 -1.368 1.00 1.00 H new ATOM 0 HD2 PRO A 16 0.168 5.987 -1.441 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -0.375 7.007 -0.124 1.00 1.00 H new ATOM 247 N HIS A 17 -3.675 5.861 -3.745 1.00 1.00 N ATOM 248 CA HIS A 17 -4.192 4.939 -4.742 1.00 1.00 C ATOM 249 C HIS A 17 -3.984 5.525 -6.140 1.00 1.00 C ATOM 250 O HIS A 17 -3.392 4.881 -7.005 1.00 1.00 O ATOM 251 CB HIS A 17 -5.655 4.595 -4.456 1.00 1.00 C ATOM 252 CG HIS A 17 -6.172 3.411 -5.239 1.00 1.00 C ATOM 253 ND1 HIS A 17 -7.081 3.537 -6.275 1.00 1.00 N ATOM 254 CD2 HIS A 17 -5.897 2.080 -5.127 1.00 1.00 C ATOM 255 CE1 HIS A 17 -7.335 2.329 -6.757 1.00 1.00 C ATOM 256 NE2 HIS A 17 -6.601 1.428 -6.043 1.00 1.00 N ATOM 0 H HIS A 17 -4.255 5.957 -2.911 1.00 1.00 H new ATOM 0 HA HIS A 17 -3.641 4.000 -4.694 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -5.768 4.391 -3.391 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -6.273 5.464 -4.681 1.00 1.00 H new ATOM 0 HD1 HIS A 17 -7.486 4.411 -6.610 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -5.221 1.633 -4.414 1.00 1.00 H new ATOM 0 HE1 HIS A 17 -8.005 2.098 -7.572 1.00 1.00 H new ATOM 264 N LYS A 18 -4.482 6.740 -6.318 1.00 1.00 N ATOM 265 CA LYS A 18 -4.358 7.420 -7.596 1.00 1.00 C ATOM 266 C LYS A 18 -2.893 7.400 -8.039 1.00 1.00 C ATOM 267 O LYS A 18 -2.575 6.911 -9.122 1.00 1.00 O ATOM 268 CB LYS A 18 -4.957 8.825 -7.516 1.00 1.00 C ATOM 269 CG LYS A 18 -4.930 9.512 -8.883 1.00 1.00 C ATOM 270 CD LYS A 18 -5.714 8.703 -9.918 1.00 1.00 C ATOM 271 CE LYS A 18 -6.671 9.601 -10.704 1.00 1.00 C ATOM 272 NZ LYS A 18 -5.944 10.328 -11.769 1.00 1.00 N ATOM 0 H LYS A 18 -4.972 7.271 -5.598 1.00 1.00 H new ATOM 0 HA LYS A 18 -4.931 6.898 -8.362 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -5.984 8.766 -7.155 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -4.399 9.421 -6.794 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -5.355 10.512 -8.800 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -3.898 9.631 -9.214 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -5.022 8.215 -10.604 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -6.277 7.915 -9.418 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -7.465 8.998 -11.144 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -7.147 10.313 -10.030 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -6.609 10.933 -12.292 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -5.202 10.918 -11.342 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -5.510 9.645 -12.422 1.00 1.00 H new ATOM 285 N ALA A 19 -2.041 7.938 -7.179 1.00 1.00 N ATOM 286 CA ALA A 19 -0.618 7.989 -7.468 1.00 1.00 C ATOM 287 C ALA A 19 -0.116 6.579 -7.786 1.00 1.00 C ATOM 288 O ALA A 19 0.554 6.369 -8.796 1.00 1.00 O ATOM 289 CB ALA A 19 0.122 8.618 -6.285 1.00 1.00 C ATOM 0 H ALA A 19 -2.309 8.342 -6.282 1.00 1.00 H new ATOM 0 HA ALA A 19 -0.426 8.613 -8.341 1.00 1.00 H new ATOM 0 HB1 ALA A 19 1.189 8.656 -6.502 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -0.251 9.629 -6.119 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -0.045 8.018 -5.391 1.00 1.00 H new ATOM 295 N HIS A 20 -0.460 5.650 -6.906 1.00 1.00 N ATOM 296 CA HIS A 20 -0.053 4.266 -7.081 1.00 1.00 C ATOM 297 C HIS A 20 -0.671 3.708 -8.364 1.00 1.00 C ATOM 298 O HIS A 20 -0.148 2.761 -8.949 1.00 1.00 O ATOM 299 CB HIS A 20 -0.402 3.437 -5.844 1.00 1.00 C ATOM 300 CG HIS A 20 0.599 3.558 -4.721 1.00 1.00 C ATOM 301 ND1 HIS A 20 0.564 4.584 -3.792 1.00 1.00 N ATOM 302 CD2 HIS A 20 1.662 2.772 -4.385 1.00 1.00 C ATOM 303 CE1 HIS A 20 1.565 4.413 -2.942 1.00 1.00 C ATOM 304 NE2 HIS A 20 2.245 3.290 -3.312 1.00 1.00 N ATOM 0 H HIS A 20 -1.016 5.829 -6.070 1.00 1.00 H new ATOM 0 HA HIS A 20 1.030 4.212 -7.188 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -1.382 3.744 -5.478 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -0.484 2.389 -6.133 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -0.117 5.343 -3.767 1.00 1.00 H new ATOM 0 HD2 HIS A 20 1.976 1.879 -4.905 1.00 1.00 H new ATOM 0 HE1 HIS A 20 1.801 5.051 -2.103 1.00 1.00 H new ATOM 312 N GLN A 21 -1.777 4.318 -8.764 1.00 1.00 N ATOM 313 CA GLN A 21 -2.473 3.893 -9.967 1.00 1.00 C ATOM 314 C GLN A 21 -1.756 4.424 -11.210 1.00 1.00 C ATOM 315 O GLN A 21 -2.077 4.032 -12.331 1.00 1.00 O ATOM 316 CB GLN A 21 -3.935 4.344 -9.943 1.00 1.00 C ATOM 317 CG GLN A 21 -4.792 3.380 -9.121 1.00 1.00 C ATOM 318 CD GLN A 21 -6.159 3.993 -8.809 1.00 1.00 C ATOM 319 OE1 GLN A 21 -6.276 5.001 -8.132 1.00 1.00 O ATOM 320 NE2 GLN A 21 -7.183 3.329 -9.338 1.00 1.00 N ATOM 0 H GLN A 21 -2.208 5.103 -8.276 1.00 1.00 H new ATOM 0 HA GLN A 21 -2.464 2.804 -10.003 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -4.003 5.347 -9.521 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -4.319 4.400 -10.962 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -4.924 2.447 -9.669 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -4.279 3.134 -8.191 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -7.015 2.491 -9.895 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -8.137 3.657 -9.186 1.00 1.00 H new ATOM 329 N LYS A 22 -0.798 5.307 -10.970 1.00 1.00 N ATOM 330 CA LYS A 22 -0.033 5.895 -12.056 1.00 1.00 C ATOM 331 C LYS A 22 1.386 5.323 -12.043 1.00 1.00 C ATOM 332 O LYS A 22 1.960 5.052 -13.097 1.00 1.00 O ATOM 333 CB LYS A 22 -0.080 7.423 -11.979 1.00 1.00 C ATOM 334 CG LYS A 22 0.694 8.054 -13.138 1.00 1.00 C ATOM 335 CD LYS A 22 2.110 8.439 -12.705 1.00 1.00 C ATOM 336 CE LYS A 22 2.448 9.866 -13.141 1.00 1.00 C ATOM 337 NZ LYS A 22 3.881 9.975 -13.494 1.00 1.00 N ATOM 0 H LYS A 22 -0.534 5.630 -10.039 1.00 1.00 H new ATOM 0 HA LYS A 22 -0.474 5.633 -13.018 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -1.116 7.760 -12.003 1.00 1.00 H new ATOM 0 HB3 LYS A 22 0.342 7.756 -11.031 1.00 1.00 H new ATOM 0 HG2 LYS A 22 0.742 7.354 -13.972 1.00 1.00 H new ATOM 0 HG3 LYS A 22 0.166 8.938 -13.495 1.00 1.00 H new ATOM 0 HD2 LYS A 22 2.198 8.355 -11.622 1.00 1.00 H new ATOM 0 HD3 LYS A 22 2.828 7.743 -13.138 1.00 1.00 H new ATOM 0 HE2 LYS A 22 1.834 10.146 -13.997 1.00 1.00 H new ATOM 0 HE3 LYS A 22 2.211 10.564 -12.338 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 4.093 10.950 -13.788 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 4.462 9.728 -12.667 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 4.097 9.324 -14.275 1.00 1.00 H new ATOM 350 N ALA A 23 1.911 5.156 -10.838 1.00 1.00 N ATOM 351 CA ALA A 23 3.252 4.621 -10.674 1.00 1.00 C ATOM 352 C ALA A 23 3.245 3.127 -11.005 1.00 1.00 C ATOM 353 O ALA A 23 4.267 2.570 -11.403 1.00 1.00 O ATOM 354 CB ALA A 23 3.743 4.900 -9.252 1.00 1.00 C ATOM 0 H ALA A 23 1.432 5.382 -9.966 1.00 1.00 H new ATOM 0 HA ALA A 23 3.945 5.108 -11.360 1.00 1.00 H new ATOM 0 HB1 ALA A 23 4.749 4.499 -9.129 1.00 1.00 H new ATOM 0 HB2 ALA A 23 3.758 5.976 -9.077 1.00 1.00 H new ATOM 0 HB3 ALA A 23 3.073 4.425 -8.536 1.00 1.00 H new ATOM 360 N VAL A 24 2.080 2.520 -10.829 1.00 1.00 N ATOM 361 CA VAL A 24 1.926 1.102 -11.104 1.00 1.00 C ATOM 362 C VAL A 24 0.736 0.895 -12.043 1.00 1.00 C ATOM 363 O VAL A 24 -0.313 0.380 -11.664 1.00 1.00 O ATOM 364 CB VAL A 24 1.794 0.325 -9.792 1.00 1.00 C ATOM 365 CG1 VAL A 24 1.381 -1.125 -10.053 1.00 1.00 C ATOM 366 CG2 VAL A 24 3.092 0.389 -8.985 1.00 1.00 C ATOM 0 H VAL A 24 1.234 2.985 -10.499 1.00 1.00 H new ATOM 0 HA VAL A 24 2.810 0.713 -11.609 1.00 1.00 H new ATOM 0 HB VAL A 24 1.008 0.796 -9.201 1.00 1.00 H new ATOM 0 HG11 VAL A 24 1.294 -1.655 -9.104 1.00 1.00 H new ATOM 0 HG12 VAL A 24 0.420 -1.143 -10.568 1.00 1.00 H new ATOM 0 HG13 VAL A 24 2.134 -1.612 -10.673 1.00 1.00 H new ATOM 0 HG21 VAL A 24 2.972 -0.171 -8.058 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.905 -0.045 -9.568 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.326 1.428 -8.754 1.00 1.00 H new ATOM 376 N PRO A 25 0.926 1.316 -13.296 1.00 1.00 N ATOM 377 CA PRO A 25 -0.062 1.217 -14.349 1.00 1.00 C ATOM 378 C PRO A 25 -0.668 -0.179 -14.351 1.00 1.00 C ATOM 379 O PRO A 25 -1.780 -0.343 -14.852 1.00 1.00 O ATOM 380 CB PRO A 25 0.711 1.481 -15.638 1.00 1.00 C ATOM 381 CG PRO A 25 1.853 2.309 -15.225 1.00 1.00 C ATOM 382 CD PRO A 25 2.147 1.926 -13.776 1.00 1.00 C ATOM 0 HA PRO A 25 -0.885 1.921 -14.226 1.00 1.00 H new ATOM 0 HB2 PRO A 25 1.043 0.550 -16.099 1.00 1.00 H new ATOM 0 HB3 PRO A 25 0.092 1.997 -16.372 1.00 1.00 H new ATOM 0 HG2 PRO A 25 2.719 2.125 -15.861 1.00 1.00 H new ATOM 0 HG3 PRO A 25 1.616 3.370 -15.308 1.00 1.00 H new ATOM 0 HD2 PRO A 25 2.986 1.233 -13.713 1.00 1.00 H new ATOM 0 HD3 PRO A 25 2.411 2.801 -13.182 1.00 1.00 H new ATOM 390 N ASP A 26 0.058 -1.142 -13.804 1.00 1.00 N ATOM 391 CA ASP A 26 -0.428 -2.511 -13.756 1.00 1.00 C ATOM 392 C ASP A 26 -1.236 -2.716 -12.473 1.00 1.00 C ATOM 393 O ASP A 26 -0.665 -2.887 -11.397 1.00 1.00 O ATOM 394 CB ASP A 26 0.732 -3.508 -13.749 1.00 1.00 C ATOM 395 CG ASP A 26 2.093 -2.919 -14.127 1.00 1.00 C ATOM 396 OD1 ASP A 26 2.520 -2.993 -15.289 1.00 1.00 O ATOM 397 OD2 ASP A 26 2.732 -2.357 -13.158 1.00 1.00 O ATOM 0 H ASP A 26 0.980 -1.002 -13.390 1.00 1.00 H new ATOM 0 HA ASP A 26 -1.044 -2.681 -14.639 1.00 1.00 H new ATOM 0 HB2 ASP A 26 0.807 -3.948 -12.755 1.00 1.00 H new ATOM 0 HB3 ASP A 26 0.499 -4.318 -14.440 1.00 1.00 H new ATOM 403 N CYS A 27 -2.551 -2.694 -12.630 1.00 1.00 N ATOM 404 CA CYS A 27 -3.443 -2.876 -11.497 1.00 1.00 C ATOM 405 C CYS A 27 -3.617 -4.377 -11.259 1.00 1.00 C ATOM 406 O CYS A 27 -4.741 -4.871 -11.179 1.00 1.00 O ATOM 407 CB CYS A 27 -4.785 -2.173 -11.715 1.00 1.00 C ATOM 408 SG CYS A 27 -4.700 -0.658 -12.736 1.00 1.00 S ATOM 0 H CYS A 27 -3.021 -2.553 -13.524 1.00 1.00 H new ATOM 0 HA CYS A 27 -3.007 -2.417 -10.610 1.00 1.00 H new ATOM 0 HB2 CYS A 27 -5.474 -2.874 -12.186 1.00 1.00 H new ATOM 0 HB3 CYS A 27 -5.207 -1.916 -10.743 1.00 1.00 H new ATOM 413 N LYS A 28 -2.488 -5.062 -11.151 1.00 1.00 N ATOM 414 CA LYS A 28 -2.501 -6.497 -10.924 1.00 1.00 C ATOM 415 C LYS A 28 -1.588 -6.830 -9.742 1.00 1.00 C ATOM 416 O LYS A 28 -2.026 -7.439 -8.767 1.00 1.00 O ATOM 417 CB LYS A 28 -2.142 -7.246 -12.208 1.00 1.00 C ATOM 418 CG LYS A 28 -2.681 -6.514 -13.439 1.00 1.00 C ATOM 419 CD LYS A 28 -3.162 -7.506 -14.500 1.00 1.00 C ATOM 420 CE LYS A 28 -2.560 -7.180 -15.868 1.00 1.00 C ATOM 421 NZ LYS A 28 -3.194 -8.002 -16.923 1.00 1.00 N ATOM 0 H LYS A 28 -1.558 -4.649 -11.217 1.00 1.00 H new ATOM 0 HA LYS A 28 -3.504 -6.831 -10.657 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -1.059 -7.345 -12.285 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -2.553 -8.255 -12.172 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -3.504 -5.861 -13.147 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -1.902 -5.877 -13.858 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -2.884 -8.519 -14.208 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -4.250 -7.479 -14.562 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -2.699 -6.122 -16.090 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -1.486 -7.364 -15.852 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -2.774 -7.768 -17.845 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -3.039 -9.010 -16.718 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -4.215 -7.807 -16.949 1.00 1.00 H new ATOM 434 N LYS A 29 -0.336 -6.416 -9.868 1.00 1.00 N ATOM 435 CA LYS A 29 0.642 -6.663 -8.822 1.00 1.00 C ATOM 436 C LYS A 29 0.051 -6.258 -7.470 1.00 1.00 C ATOM 437 O LYS A 29 0.483 -6.748 -6.428 1.00 1.00 O ATOM 438 CB LYS A 29 1.964 -5.965 -9.149 1.00 1.00 C ATOM 439 CG LYS A 29 2.957 -6.101 -7.993 1.00 1.00 C ATOM 440 CD LYS A 29 3.644 -7.468 -8.018 1.00 1.00 C ATOM 441 CE LYS A 29 5.117 -7.348 -7.622 1.00 1.00 C ATOM 442 NZ LYS A 29 5.965 -7.181 -8.823 1.00 1.00 N ATOM 0 H LYS A 29 0.024 -5.911 -10.678 1.00 1.00 H new ATOM 0 HA LYS A 29 0.875 -7.726 -8.762 1.00 1.00 H new ATOM 0 HB2 LYS A 29 2.393 -6.396 -10.054 1.00 1.00 H new ATOM 0 HB3 LYS A 29 1.781 -4.910 -9.354 1.00 1.00 H new ATOM 0 HG2 LYS A 29 3.706 -5.312 -8.058 1.00 1.00 H new ATOM 0 HG3 LYS A 29 2.437 -5.969 -7.044 1.00 1.00 H new ATOM 0 HD2 LYS A 29 3.134 -8.148 -7.335 1.00 1.00 H new ATOM 0 HD3 LYS A 29 3.566 -7.900 -9.016 1.00 1.00 H new ATOM 0 HE2 LYS A 29 5.252 -6.498 -6.953 1.00 1.00 H new ATOM 0 HE3 LYS A 29 5.426 -8.237 -7.073 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 6.961 -7.101 -8.536 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 5.849 -8.005 -9.447 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 5.681 -6.319 -9.331 1.00 1.00 H new ATOM 455 N CYS A 30 -0.928 -5.367 -7.532 1.00 1.00 N ATOM 456 CA CYS A 30 -1.583 -4.891 -6.326 1.00 1.00 C ATOM 457 C CYS A 30 -2.940 -5.587 -6.209 1.00 1.00 C ATOM 458 O CYS A 30 -3.397 -5.884 -5.106 1.00 1.00 O ATOM 459 CB CYS A 30 -1.721 -3.367 -6.321 1.00 1.00 C ATOM 460 SG CYS A 30 -0.431 -2.625 -5.256 1.00 1.00 S ATOM 0 H CYS A 30 -1.283 -4.963 -8.398 1.00 1.00 H new ATOM 0 HA CYS A 30 -0.973 -5.138 -5.457 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -1.631 -2.982 -7.337 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -2.710 -3.084 -5.959 1.00 1.00 H new ATOM 465 N HIS A 31 -3.547 -5.828 -7.362 1.00 1.00 N ATOM 466 CA HIS A 31 -4.843 -6.484 -7.402 1.00 1.00 C ATOM 467 C HIS A 31 -4.690 -7.886 -7.996 1.00 1.00 C ATOM 468 O HIS A 31 -4.480 -8.035 -9.198 1.00 1.00 O ATOM 469 CB HIS A 31 -5.861 -5.628 -8.158 1.00 1.00 C ATOM 470 CG HIS A 31 -6.317 -4.403 -7.402 1.00 1.00 C ATOM 471 ND1 HIS A 31 -7.152 -4.470 -6.300 1.00 1.00 N ATOM 472 CD2 HIS A 31 -6.043 -3.081 -7.598 1.00 1.00 C ATOM 473 CE1 HIS A 31 -7.366 -3.237 -5.863 1.00 1.00 C ATOM 474 NE2 HIS A 31 -6.678 -2.378 -6.669 1.00 1.00 N ATOM 0 H HIS A 31 -3.165 -5.581 -8.275 1.00 1.00 H new ATOM 0 HA HIS A 31 -5.230 -6.596 -6.389 1.00 1.00 H new ATOM 0 HB2 HIS A 31 -5.424 -5.315 -9.106 1.00 1.00 H new ATOM 0 HB3 HIS A 31 -6.731 -6.241 -8.395 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -7.537 -5.323 -5.894 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -5.415 -2.675 -8.378 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -7.978 -2.961 -5.017 1.00 1.00 H new ATOM 482 N GLU A 32 -4.802 -8.877 -7.124 1.00 1.00 N ATOM 483 CA GLU A 32 -4.679 -10.262 -7.547 1.00 1.00 C ATOM 484 C GLU A 32 -5.894 -10.673 -8.380 1.00 1.00 C ATOM 485 O GLU A 32 -5.948 -10.405 -9.579 1.00 1.00 O ATOM 486 CB GLU A 32 -4.501 -11.189 -6.342 1.00 1.00 C ATOM 487 CG GLU A 32 -4.203 -12.621 -6.792 1.00 1.00 C ATOM 488 CD GLU A 32 -5.481 -13.462 -6.825 1.00 1.00 C ATOM 489 OE1 GLU A 32 -6.273 -13.423 -5.872 1.00 1.00 O ATOM 490 OE2 GLU A 32 -5.637 -14.175 -7.889 1.00 1.00 O ATOM 0 H GLU A 32 -4.976 -8.749 -6.127 1.00 1.00 H new ATOM 0 HA GLU A 32 -3.789 -10.354 -8.170 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -3.688 -10.824 -5.715 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -5.404 -11.176 -5.732 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -3.746 -12.608 -7.782 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -3.481 -13.076 -6.114 1.00 1.00 H new ATOM 498 N LYS A 33 -6.840 -11.317 -7.711 1.00 1.00 N ATOM 499 CA LYS A 33 -8.051 -11.767 -8.375 1.00 1.00 C ATOM 500 C LYS A 33 -8.511 -10.698 -9.369 1.00 1.00 C ATOM 501 O LYS A 33 -9.123 -11.015 -10.387 1.00 1.00 O ATOM 502 CB LYS A 33 -9.116 -12.149 -7.345 1.00 1.00 C ATOM 503 CG LYS A 33 -8.913 -13.582 -6.851 1.00 1.00 C ATOM 504 CD LYS A 33 -8.794 -13.625 -5.326 1.00 1.00 C ATOM 505 CE LYS A 33 -10.176 -13.653 -4.669 1.00 1.00 C ATOM 506 NZ LYS A 33 -10.073 -13.314 -3.232 1.00 1.00 N ATOM 0 H LYS A 33 -6.792 -11.537 -6.716 1.00 1.00 H new ATOM 0 HA LYS A 33 -7.856 -12.673 -8.949 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -9.074 -11.460 -6.501 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -10.107 -12.050 -7.788 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -9.750 -14.203 -7.172 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -8.014 -14.002 -7.301 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -8.227 -14.506 -5.027 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -8.239 -12.755 -4.976 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -10.837 -12.946 -5.169 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -10.620 -14.642 -4.785 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -11.027 -13.221 -2.828 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -9.558 -14.068 -2.734 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -9.562 -12.415 -3.123 1.00 1.00 H new ATOM 519 N GLY A 34 -8.198 -9.454 -9.037 1.00 1.00 N ATOM 520 CA GLY A 34 -8.571 -8.337 -9.887 1.00 1.00 C ATOM 521 C GLY A 34 -8.864 -7.088 -9.054 1.00 1.00 C ATOM 522 O GLY A 34 -8.871 -7.110 -7.825 1.00 1.00 O ATOM 0 H GLY A 34 -7.690 -9.195 -8.191 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -7.767 -8.128 -10.592 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -9.450 -8.601 -10.475 1.00 1.00 H new ATOM 526 N PRO A 35 -9.108 -5.982 -9.761 1.00 1.00 N ATOM 527 CA PRO A 35 -9.410 -4.692 -9.180 1.00 1.00 C ATOM 528 C PRO A 35 -10.547 -4.836 -8.179 1.00 1.00 C ATOM 529 O PRO A 35 -11.650 -5.201 -8.583 1.00 1.00 O ATOM 530 CB PRO A 35 -9.826 -3.818 -10.361 1.00 1.00 C ATOM 531 CG PRO A 35 -10.117 -4.829 -11.555 1.00 1.00 C ATOM 532 CD PRO A 35 -9.108 -5.920 -11.207 1.00 1.00 C ATOM 0 HA PRO A 35 -8.566 -4.261 -8.642 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -10.711 -3.229 -10.121 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -9.037 -3.114 -10.626 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -11.145 -5.193 -11.556 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -9.935 -4.386 -12.534 1.00 1.00 H new ATOM 0 HD2 PRO A 35 -9.395 -6.877 -11.643 1.00 1.00 H new ATOM 0 HD3 PRO A 35 -8.117 -5.679 -11.592 1.00 1.00 H new ATOM 540 N GLY A 36 -10.267 -4.553 -6.916 1.00 1.00 N ATOM 541 CA GLY A 36 -11.281 -4.660 -5.881 1.00 1.00 C ATOM 542 C GLY A 36 -10.656 -5.031 -4.536 1.00 1.00 C ATOM 543 O GLY A 36 -9.481 -4.756 -4.297 1.00 1.00 O ATOM 0 H GLY A 36 -9.351 -4.249 -6.585 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -11.813 -3.713 -5.790 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -12.016 -5.413 -6.164 1.00 1.00 H new ATOM 547 N LYS A 37 -11.469 -5.649 -3.691 1.00 1.00 N ATOM 548 CA LYS A 37 -11.009 -6.061 -2.376 1.00 1.00 C ATOM 549 C LYS A 37 -9.908 -7.111 -2.530 1.00 1.00 C ATOM 550 O LYS A 37 -9.881 -7.847 -3.515 1.00 1.00 O ATOM 551 CB LYS A 37 -12.188 -6.527 -1.518 1.00 1.00 C ATOM 552 CG LYS A 37 -12.556 -7.978 -1.834 1.00 1.00 C ATOM 553 CD LYS A 37 -13.620 -8.497 -0.865 1.00 1.00 C ATOM 554 CE LYS A 37 -15.027 -8.186 -1.380 1.00 1.00 C ATOM 555 NZ LYS A 37 -15.625 -9.384 -2.011 1.00 1.00 N ATOM 0 H LYS A 37 -12.443 -5.874 -3.892 1.00 1.00 H new ATOM 0 HA LYS A 37 -10.571 -5.216 -1.844 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -11.933 -6.434 -0.462 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -13.049 -5.883 -1.696 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -12.925 -8.049 -2.857 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -11.666 -8.604 -1.772 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -13.506 -9.573 -0.736 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -13.478 -8.041 0.115 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -15.656 -7.850 -0.556 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -14.984 -7.371 -2.102 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -16.579 -9.155 -2.355 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -15.033 -9.688 -2.810 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -15.684 -10.152 -1.312 1.00 1.00 H new ATOM 568 N ILE A 38 -9.026 -7.148 -1.542 1.00 1.00 N ATOM 569 CA ILE A 38 -7.925 -8.096 -1.556 1.00 1.00 C ATOM 570 C ILE A 38 -8.085 -9.073 -0.389 1.00 1.00 C ATOM 571 O ILE A 38 -8.337 -8.660 0.742 1.00 1.00 O ATOM 572 CB ILE A 38 -6.584 -7.360 -1.562 1.00 1.00 C ATOM 573 CG1 ILE A 38 -6.576 -6.244 -2.609 1.00 1.00 C ATOM 574 CG2 ILE A 38 -5.423 -8.337 -1.757 1.00 1.00 C ATOM 575 CD1 ILE A 38 -5.393 -5.298 -2.392 1.00 1.00 C ATOM 0 H ILE A 38 -9.052 -6.536 -0.726 1.00 1.00 H new ATOM 0 HA ILE A 38 -7.942 -8.686 -2.472 1.00 1.00 H new ATOM 0 HB ILE A 38 -6.448 -6.889 -0.588 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -6.521 -6.678 -3.608 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -7.509 -5.683 -2.556 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -4.481 -7.788 -1.757 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.419 -9.064 -0.945 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.540 -8.856 -2.708 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -5.410 -4.514 -3.149 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.464 -4.848 -1.402 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.461 -5.857 -2.470 1.00 1.00 H new ATOM 587 N GLU A 39 -7.932 -10.351 -0.704 1.00 1.00 N ATOM 588 CA GLU A 39 -8.056 -11.390 0.304 1.00 1.00 C ATOM 589 C GLU A 39 -6.672 -11.879 0.735 1.00 1.00 C ATOM 590 O GLU A 39 -5.965 -12.518 -0.043 1.00 1.00 O ATOM 591 CB GLU A 39 -8.913 -12.550 -0.207 1.00 1.00 C ATOM 592 CG GLU A 39 -10.301 -12.531 0.435 1.00 1.00 C ATOM 593 CD GLU A 39 -11.305 -13.325 -0.403 1.00 1.00 C ATOM 594 OE1 GLU A 39 -11.603 -14.484 -0.079 1.00 1.00 O ATOM 595 OE2 GLU A 39 -11.781 -12.697 -1.424 1.00 1.00 O ATOM 0 H GLU A 39 -7.723 -10.690 -1.643 1.00 1.00 H new ATOM 0 HA GLU A 39 -8.558 -10.967 1.174 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -9.009 -12.486 -1.291 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -8.419 -13.496 0.014 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -10.247 -12.952 1.439 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -10.643 -11.501 0.539 1.00 1.00 H new ATOM 603 N GLY A 40 -6.326 -11.561 1.974 1.00 1.00 N ATOM 604 CA GLY A 40 -5.040 -11.960 2.518 1.00 1.00 C ATOM 605 C GLY A 40 -4.312 -10.766 3.138 1.00 1.00 C ATOM 606 O GLY A 40 -3.741 -10.877 4.222 1.00 1.00 O ATOM 0 H GLY A 40 -6.915 -11.031 2.617 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -5.185 -12.734 3.272 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -4.426 -12.395 1.729 1.00 1.00 H new ATOM 610 N PHE A 41 -4.357 -9.650 2.425 1.00 1.00 N ATOM 611 CA PHE A 41 -3.710 -8.436 2.892 1.00 1.00 C ATOM 612 C PHE A 41 -4.426 -7.870 4.119 1.00 1.00 C ATOM 613 O PHE A 41 -5.653 -7.911 4.200 1.00 1.00 O ATOM 614 CB PHE A 41 -3.793 -7.418 1.753 1.00 1.00 C ATOM 615 CG PHE A 41 -3.084 -6.095 2.047 1.00 1.00 C ATOM 616 CD1 PHE A 41 -3.643 -5.200 2.905 1.00 1.00 C ATOM 617 CD2 PHE A 41 -1.894 -5.814 1.452 1.00 1.00 C ATOM 618 CE1 PHE A 41 -2.985 -3.972 3.179 1.00 1.00 C ATOM 619 CE2 PHE A 41 -1.236 -4.586 1.725 1.00 1.00 C ATOM 620 CZ PHE A 41 -1.795 -3.691 2.583 1.00 1.00 C ATOM 0 H PHE A 41 -4.832 -9.561 1.527 1.00 1.00 H new ATOM 0 HA PHE A 41 -2.679 -8.649 3.173 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -3.361 -7.858 0.854 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -4.842 -7.216 1.536 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -4.588 -5.423 3.378 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -1.449 -6.525 0.772 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -3.429 -3.261 3.860 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -0.291 -4.363 1.251 1.00 1.00 H new ATOM 0 HZ PHE A 41 -1.294 -2.757 2.791 1.00 1.00 H new ATOM 630 N GLY A 42 -3.630 -7.356 5.045 1.00 1.00 N ATOM 631 CA GLY A 42 -4.173 -6.782 6.264 1.00 1.00 C ATOM 632 C GLY A 42 -3.074 -6.112 7.091 1.00 1.00 C ATOM 633 O GLY A 42 -3.301 -5.070 7.705 1.00 1.00 O ATOM 0 H GLY A 42 -2.613 -7.325 4.975 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -4.942 -6.051 6.015 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -4.654 -7.562 6.855 1.00 1.00 H new ATOM 637 N LYS A 43 -1.905 -6.736 7.081 1.00 1.00 N ATOM 638 CA LYS A 43 -0.770 -6.213 7.822 1.00 1.00 C ATOM 639 C LYS A 43 0.524 -6.761 7.219 1.00 1.00 C ATOM 640 O LYS A 43 1.193 -6.075 6.448 1.00 1.00 O ATOM 641 CB LYS A 43 -0.925 -6.507 9.316 1.00 1.00 C ATOM 642 CG LYS A 43 -0.212 -5.448 10.160 1.00 1.00 C ATOM 643 CD LYS A 43 0.621 -6.098 11.267 1.00 1.00 C ATOM 644 CE LYS A 43 0.159 -5.628 12.648 1.00 1.00 C ATOM 645 NZ LYS A 43 -0.575 -6.708 13.344 1.00 1.00 N ATOM 0 H LYS A 43 -1.720 -7.600 6.571 1.00 1.00 H new ATOM 0 HA LYS A 43 -0.727 -5.127 7.736 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -1.983 -6.534 9.577 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -0.516 -7.492 9.541 1.00 1.00 H new ATOM 0 HG2 LYS A 43 0.433 -4.843 9.522 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -0.947 -4.774 10.601 1.00 1.00 H new ATOM 0 HD2 LYS A 43 0.537 -7.183 11.201 1.00 1.00 H new ATOM 0 HD3 LYS A 43 1.673 -5.851 11.128 1.00 1.00 H new ATOM 0 HE2 LYS A 43 1.021 -5.324 13.242 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -0.482 -4.752 12.545 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -0.881 -6.373 14.279 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -1.408 -6.979 12.783 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 0.048 -7.533 13.459 1.00 1.00 H new ATOM 658 N GLU A 44 0.839 -7.993 7.592 1.00 1.00 N ATOM 659 CA GLU A 44 2.041 -8.641 7.097 1.00 1.00 C ATOM 660 C GLU A 44 2.318 -8.215 5.654 1.00 1.00 C ATOM 661 O GLU A 44 3.423 -7.780 5.333 1.00 1.00 O ATOM 662 CB GLU A 44 1.929 -10.163 7.207 1.00 1.00 C ATOM 663 CG GLU A 44 2.454 -10.655 8.558 1.00 1.00 C ATOM 664 CD GLU A 44 2.303 -9.575 9.631 1.00 1.00 C ATOM 665 OE1 GLU A 44 1.176 -9.161 9.939 1.00 1.00 O ATOM 666 OE2 GLU A 44 3.410 -9.166 10.153 1.00 1.00 O ATOM 0 H GLU A 44 0.282 -8.559 8.232 1.00 1.00 H new ATOM 0 HA GLU A 44 2.881 -8.326 7.716 1.00 1.00 H new ATOM 0 HB2 GLU A 44 0.889 -10.464 7.085 1.00 1.00 H new ATOM 0 HB3 GLU A 44 2.493 -10.632 6.401 1.00 1.00 H new ATOM 0 HG2 GLU A 44 1.910 -11.550 8.859 1.00 1.00 H new ATOM 0 HG3 GLU A 44 3.503 -10.935 8.464 1.00 1.00 H new ATOM 674 N MET A 45 1.296 -8.354 4.823 1.00 1.00 N ATOM 675 CA MET A 45 1.416 -7.989 3.422 1.00 1.00 C ATOM 676 C MET A 45 2.020 -6.592 3.269 1.00 1.00 C ATOM 677 O MET A 45 3.021 -6.417 2.575 1.00 1.00 O ATOM 678 CB MET A 45 0.034 -8.022 2.766 1.00 1.00 C ATOM 679 CG MET A 45 -0.344 -9.447 2.355 1.00 1.00 C ATOM 680 SD MET A 45 -1.027 -9.447 0.706 1.00 1.00 S ATOM 681 CE MET A 45 -0.552 -11.083 0.174 1.00 1.00 C ATOM 0 H MET A 45 0.381 -8.714 5.093 1.00 1.00 H new ATOM 0 HA MET A 45 2.077 -8.706 2.935 1.00 1.00 H new ATOM 0 HB2 MET A 45 -0.711 -7.630 3.459 1.00 1.00 H new ATOM 0 HB3 MET A 45 0.028 -7.373 1.890 1.00 1.00 H new ATOM 0 HG2 MET A 45 0.535 -10.090 2.393 1.00 1.00 H new ATOM 0 HG3 MET A 45 -1.070 -9.856 3.058 1.00 1.00 H new ATOM 0 HE1 MET A 45 -0.903 -11.251 -0.844 1.00 1.00 H new ATOM 0 HE2 MET A 45 0.534 -11.174 0.204 1.00 1.00 H new ATOM 0 HE3 MET A 45 -0.997 -11.825 0.837 1.00 1.00 H new ATOM 691 N ALA A 46 1.387 -5.633 3.928 1.00 1.00 N ATOM 692 CA ALA A 46 1.849 -4.256 3.874 1.00 1.00 C ATOM 693 C ALA A 46 3.291 -4.187 4.381 1.00 1.00 C ATOM 694 O ALA A 46 4.125 -3.493 3.801 1.00 1.00 O ATOM 695 CB ALA A 46 0.903 -3.368 4.684 1.00 1.00 C ATOM 0 H ALA A 46 0.558 -5.782 4.503 1.00 1.00 H new ATOM 0 HA ALA A 46 1.842 -3.888 2.848 1.00 1.00 H new ATOM 0 HB1 ALA A 46 1.249 -2.335 4.644 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -0.102 -3.430 4.266 1.00 1.00 H new ATOM 0 HB3 ALA A 46 0.886 -3.705 5.721 1.00 1.00 H new ATOM 701 N HIS A 47 3.541 -4.917 5.459 1.00 1.00 N ATOM 702 CA HIS A 47 4.868 -4.947 6.051 1.00 1.00 C ATOM 703 C HIS A 47 5.772 -5.876 5.238 1.00 1.00 C ATOM 704 O HIS A 47 6.912 -6.132 5.622 1.00 1.00 O ATOM 705 CB HIS A 47 4.795 -5.335 7.529 1.00 1.00 C ATOM 706 CG HIS A 47 3.973 -4.390 8.372 1.00 1.00 C ATOM 707 ND1 HIS A 47 3.078 -4.828 9.333 1.00 1.00 N ATOM 708 CD2 HIS A 47 3.920 -3.027 8.389 1.00 1.00 C ATOM 709 CE1 HIS A 47 2.517 -3.768 9.896 1.00 1.00 C ATOM 710 NE2 HIS A 47 3.039 -2.653 9.309 1.00 1.00 N ATOM 0 H HIS A 47 2.847 -5.492 5.937 1.00 1.00 H new ATOM 0 HA HIS A 47 5.307 -3.950 6.018 1.00 1.00 H new ATOM 0 HB2 HIS A 47 4.375 -6.337 7.611 1.00 1.00 H new ATOM 0 HB3 HIS A 47 5.806 -5.380 7.933 1.00 1.00 H new ATOM 0 HD1 HIS A 47 2.884 -5.801 9.568 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.497 -2.365 7.761 1.00 1.00 H new ATOM 0 HE1 HIS A 47 1.776 -3.784 10.682 1.00 1.00 H new ATOM 718 N GLY A 48 5.228 -6.356 4.129 1.00 1.00 N ATOM 719 CA GLY A 48 5.971 -7.251 3.258 1.00 1.00 C ATOM 720 C GLY A 48 5.442 -7.185 1.824 1.00 1.00 C ATOM 721 O GLY A 48 5.159 -6.103 1.312 1.00 1.00 O ATOM 0 H GLY A 48 4.282 -6.142 3.814 1.00 1.00 H new ATOM 0 HA2 GLY A 48 7.028 -6.984 3.272 1.00 1.00 H new ATOM 0 HA3 GLY A 48 5.895 -8.273 3.631 1.00 1.00 H new ATOM 725 N LYS A 49 5.326 -8.356 1.215 1.00 1.00 N ATOM 726 CA LYS A 49 4.836 -8.445 -0.150 1.00 1.00 C ATOM 727 C LYS A 49 3.413 -7.886 -0.214 1.00 1.00 C ATOM 728 O LYS A 49 2.444 -8.644 -0.200 1.00 1.00 O ATOM 729 CB LYS A 49 4.958 -9.878 -0.671 1.00 1.00 C ATOM 730 CG LYS A 49 5.396 -9.893 -2.137 1.00 1.00 C ATOM 731 CD LYS A 49 5.783 -11.306 -2.579 1.00 1.00 C ATOM 732 CE LYS A 49 6.166 -11.331 -4.060 1.00 1.00 C ATOM 733 NZ LYS A 49 5.115 -12.004 -4.856 1.00 1.00 N ATOM 0 H LYS A 49 5.563 -9.251 1.642 1.00 1.00 H new ATOM 0 HA LYS A 49 5.448 -7.836 -0.815 1.00 1.00 H new ATOM 0 HB2 LYS A 49 5.679 -10.428 -0.067 1.00 1.00 H new ATOM 0 HB3 LYS A 49 4.001 -10.389 -0.569 1.00 1.00 H new ATOM 0 HG2 LYS A 49 4.587 -9.520 -2.766 1.00 1.00 H new ATOM 0 HG3 LYS A 49 6.243 -9.220 -2.274 1.00 1.00 H new ATOM 0 HD2 LYS A 49 6.619 -11.663 -1.977 1.00 1.00 H new ATOM 0 HD3 LYS A 49 4.950 -11.987 -2.403 1.00 1.00 H new ATOM 0 HE2 LYS A 49 6.309 -10.313 -4.422 1.00 1.00 H new ATOM 0 HE3 LYS A 49 7.116 -11.851 -4.187 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 5.391 -12.012 -5.859 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 4.998 -12.982 -4.521 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 4.216 -11.492 -4.748 1.00 1.00 H new ATOM 746 N GLY A 50 3.332 -6.565 -0.283 1.00 1.00 N ATOM 747 CA GLY A 50 2.044 -5.897 -0.349 1.00 1.00 C ATOM 748 C GLY A 50 2.218 -4.385 -0.508 1.00 1.00 C ATOM 749 O GLY A 50 1.569 -3.767 -1.350 1.00 1.00 O ATOM 0 H GLY A 50 4.138 -5.940 -0.295 1.00 1.00 H new ATOM 0 HA2 GLY A 50 1.469 -6.291 -1.187 1.00 1.00 H new ATOM 0 HA3 GLY A 50 1.474 -6.108 0.556 1.00 1.00 H new ATOM 753 N CYS A 51 3.099 -3.834 0.315 1.00 1.00 N ATOM 754 CA CYS A 51 3.366 -2.406 0.276 1.00 1.00 C ATOM 755 C CYS A 51 4.877 -2.197 0.397 1.00 1.00 C ATOM 756 O CYS A 51 5.489 -1.557 -0.456 1.00 1.00 O ATOM 757 CB CYS A 51 2.598 -1.657 1.366 1.00 1.00 C ATOM 758 SG CYS A 51 0.805 -2.020 1.429 1.00 1.00 S ATOM 0 H CYS A 51 3.636 -4.350 1.012 1.00 1.00 H new ATOM 0 HA CYS A 51 3.017 -1.994 -0.671 1.00 1.00 H new ATOM 0 HB2 CYS A 51 3.038 -1.900 2.333 1.00 1.00 H new ATOM 0 HB3 CYS A 51 2.733 -0.586 1.215 1.00 1.00 H new ATOM 763 N LYS A 52 5.435 -2.750 1.464 1.00 1.00 N ATOM 764 CA LYS A 52 6.863 -2.633 1.707 1.00 1.00 C ATOM 765 C LYS A 52 7.624 -3.442 0.655 1.00 1.00 C ATOM 766 O LYS A 52 8.531 -2.924 0.005 1.00 1.00 O ATOM 767 CB LYS A 52 7.195 -3.030 3.147 1.00 1.00 C ATOM 768 CG LYS A 52 7.831 -1.863 3.905 1.00 1.00 C ATOM 769 CD LYS A 52 9.357 -1.973 3.902 1.00 1.00 C ATOM 770 CE LYS A 52 9.893 -2.201 5.317 1.00 1.00 C ATOM 771 NZ LYS A 52 11.324 -2.576 5.275 1.00 1.00 N ATOM 0 H LYS A 52 4.924 -3.280 2.170 1.00 1.00 H new ATOM 0 HA LYS A 52 7.183 -1.596 1.604 1.00 1.00 H new ATOM 0 HB2 LYS A 52 6.287 -3.349 3.659 1.00 1.00 H new ATOM 0 HB3 LYS A 52 7.876 -3.881 3.146 1.00 1.00 H new ATOM 0 HG2 LYS A 52 7.530 -0.921 3.448 1.00 1.00 H new ATOM 0 HG3 LYS A 52 7.466 -1.850 4.932 1.00 1.00 H new ATOM 0 HD2 LYS A 52 9.665 -2.795 3.256 1.00 1.00 H new ATOM 0 HD3 LYS A 52 9.790 -1.063 3.488 1.00 1.00 H new ATOM 0 HE2 LYS A 52 9.765 -1.296 5.911 1.00 1.00 H new ATOM 0 HE3 LYS A 52 9.319 -2.987 5.807 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 11.672 -2.727 6.243 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 11.437 -3.452 4.726 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 11.870 -1.813 4.826 1.00 1.00 H new ATOM 784 N GLY A 53 7.226 -4.699 0.520 1.00 1.00 N ATOM 785 CA GLY A 53 7.859 -5.584 -0.442 1.00 1.00 C ATOM 786 C GLY A 53 8.221 -4.832 -1.724 1.00 1.00 C ATOM 787 O GLY A 53 9.341 -4.947 -2.221 1.00 1.00 O ATOM 0 H GLY A 53 6.473 -5.125 1.061 1.00 1.00 H new ATOM 0 HA2 GLY A 53 8.758 -6.018 -0.005 1.00 1.00 H new ATOM 0 HA3 GLY A 53 7.188 -6.410 -0.678 1.00 1.00 H new ATOM 791 N CYS A 54 7.252 -4.080 -2.224 1.00 1.00 N ATOM 792 CA CYS A 54 7.455 -3.309 -3.439 1.00 1.00 C ATOM 793 C CYS A 54 8.344 -2.109 -3.105 1.00 1.00 C ATOM 794 O CYS A 54 9.239 -1.762 -3.874 1.00 1.00 O ATOM 795 CB CYS A 54 6.126 -2.878 -4.064 1.00 1.00 C ATOM 796 SG CYS A 54 6.416 -2.176 -5.729 1.00 1.00 S ATOM 0 H CYS A 54 6.324 -3.988 -1.810 1.00 1.00 H new ATOM 0 HA CYS A 54 7.950 -3.929 -4.187 1.00 1.00 H new ATOM 0 HB2 CYS A 54 5.453 -3.733 -4.133 1.00 1.00 H new ATOM 0 HB3 CYS A 54 5.639 -2.139 -3.428 1.00 1.00 H new ATOM 801 N HIS A 55 8.066 -1.510 -1.957 1.00 1.00 N ATOM 802 CA HIS A 55 8.830 -0.356 -1.511 1.00 1.00 C ATOM 803 C HIS A 55 10.302 -0.743 -1.360 1.00 1.00 C ATOM 804 O HIS A 55 11.187 -0.030 -1.832 1.00 1.00 O ATOM 805 CB HIS A 55 8.235 0.226 -0.227 1.00 1.00 C ATOM 806 CG HIS A 55 6.856 0.817 -0.402 1.00 1.00 C ATOM 807 ND1 HIS A 55 5.991 1.028 0.658 1.00 1.00 N ATOM 808 CD2 HIS A 55 6.203 1.238 -1.522 1.00 1.00 C ATOM 809 CE1 HIS A 55 4.871 1.554 0.184 1.00 1.00 C ATOM 810 NE2 HIS A 55 5.004 1.682 -1.167 1.00 1.00 N ATOM 0 H HIS A 55 7.323 -1.801 -1.322 1.00 1.00 H new ATOM 0 HA HIS A 55 8.773 0.434 -2.260 1.00 1.00 H new ATOM 0 HB2 HIS A 55 8.190 -0.558 0.528 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.904 0.997 0.154 1.00 1.00 H new ATOM 0 HD1 HIS A 55 6.183 0.815 1.637 1.00 1.00 H new ATOM 0 HD2 HIS A 55 6.595 1.214 -2.528 1.00 1.00 H new ATOM 0 HE1 HIS A 55 4.005 1.833 0.766 1.00 1.00 H new ATOM 818 N GLU A 56 10.520 -1.871 -0.700 1.00 1.00 N ATOM 819 CA GLU A 56 11.870 -2.361 -0.481 1.00 1.00 C ATOM 820 C GLU A 56 12.418 -2.997 -1.760 1.00 1.00 C ATOM 821 O GLU A 56 13.631 -3.095 -1.938 1.00 1.00 O ATOM 822 CB GLU A 56 11.911 -3.351 0.685 1.00 1.00 C ATOM 823 CG GLU A 56 10.706 -4.292 0.649 1.00 1.00 C ATOM 824 CD GLU A 56 11.110 -5.717 1.034 1.00 1.00 C ATOM 825 OE1 GLU A 56 12.033 -6.284 0.431 1.00 1.00 O ATOM 826 OE2 GLU A 56 10.428 -6.235 1.999 1.00 1.00 O ATOM 0 H GLU A 56 9.784 -2.460 -0.310 1.00 1.00 H new ATOM 0 HA GLU A 56 12.505 -1.515 -0.219 1.00 1.00 H new ATOM 0 HB2 GLU A 56 12.832 -3.932 0.641 1.00 1.00 H new ATOM 0 HB3 GLU A 56 11.923 -2.806 1.629 1.00 1.00 H new ATOM 0 HG2 GLU A 56 9.938 -3.931 1.333 1.00 1.00 H new ATOM 0 HG3 GLU A 56 10.270 -4.291 -0.350 1.00 1.00 H new ATOM 834 N GLU A 57 11.498 -3.414 -2.617 1.00 1.00 N ATOM 835 CA GLU A 57 11.873 -4.038 -3.874 1.00 1.00 C ATOM 836 C GLU A 57 12.225 -2.971 -4.912 1.00 1.00 C ATOM 837 O GLU A 57 13.190 -3.121 -5.660 1.00 1.00 O ATOM 838 CB GLU A 57 10.760 -4.955 -4.385 1.00 1.00 C ATOM 839 CG GLU A 57 11.048 -5.423 -5.813 1.00 1.00 C ATOM 840 CD GLU A 57 12.391 -6.152 -5.891 1.00 1.00 C ATOM 841 OE1 GLU A 57 13.438 -5.507 -6.054 1.00 1.00 O ATOM 842 OE2 GLU A 57 12.323 -7.435 -5.774 1.00 1.00 O ATOM 0 H GLU A 57 10.493 -3.332 -2.465 1.00 1.00 H new ATOM 0 HA GLU A 57 12.755 -4.654 -3.702 1.00 1.00 H new ATOM 0 HB2 GLU A 57 10.665 -5.819 -3.727 1.00 1.00 H new ATOM 0 HB3 GLU A 57 9.807 -4.427 -4.357 1.00 1.00 H new ATOM 0 HG2 GLU A 57 10.251 -6.085 -6.150 1.00 1.00 H new ATOM 0 HG3 GLU A 57 11.056 -4.565 -6.486 1.00 1.00 H new ATOM 850 N MET A 58 11.422 -1.916 -4.925 1.00 1.00 N ATOM 851 CA MET A 58 11.636 -0.825 -5.859 1.00 1.00 C ATOM 852 C MET A 58 12.536 0.252 -5.248 1.00 1.00 C ATOM 853 O MET A 58 13.431 0.770 -5.915 1.00 1.00 O ATOM 854 CB MET A 58 10.289 -0.207 -6.241 1.00 1.00 C ATOM 855 CG MET A 58 9.450 -1.188 -7.062 1.00 1.00 C ATOM 856 SD MET A 58 8.341 -0.292 -8.136 1.00 1.00 S ATOM 857 CE MET A 58 8.410 -1.328 -9.588 1.00 1.00 C ATOM 0 H MET A 58 10.623 -1.795 -4.303 1.00 1.00 H new ATOM 0 HA MET A 58 12.128 -1.223 -6.746 1.00 1.00 H new ATOM 0 HB2 MET A 58 9.746 0.076 -5.339 1.00 1.00 H new ATOM 0 HB3 MET A 58 10.453 0.706 -6.814 1.00 1.00 H new ATOM 0 HG2 MET A 58 10.102 -1.831 -7.653 1.00 1.00 H new ATOM 0 HG3 MET A 58 8.880 -1.837 -6.397 1.00 1.00 H new ATOM 0 HE1 MET A 58 7.769 -0.910 -10.364 1.00 1.00 H new ATOM 0 HE2 MET A 58 9.436 -1.376 -9.952 1.00 1.00 H new ATOM 0 HE3 MET A 58 8.067 -2.331 -9.336 1.00 1.00 H new ATOM 867 N LYS A 59 12.267 0.556 -3.987 1.00 1.00 N ATOM 868 CA LYS A 59 13.042 1.561 -3.279 1.00 1.00 C ATOM 869 C LYS A 59 12.556 2.953 -3.686 1.00 1.00 C ATOM 870 O LYS A 59 13.363 3.835 -3.977 1.00 1.00 O ATOM 871 CB LYS A 59 14.539 1.341 -3.504 1.00 1.00 C ATOM 872 CG LYS A 59 14.911 -0.132 -3.320 1.00 1.00 C ATOM 873 CD LYS A 59 15.261 -0.430 -1.861 1.00 1.00 C ATOM 874 CE LYS A 59 16.692 -0.957 -1.737 1.00 1.00 C ATOM 875 NZ LYS A 59 17.137 -0.925 -0.326 1.00 1.00 N ATOM 0 H LYS A 59 11.524 0.125 -3.437 1.00 1.00 H new ATOM 0 HA LYS A 59 12.890 1.472 -2.203 1.00 1.00 H new ATOM 0 HB2 LYS A 59 14.811 1.666 -4.508 1.00 1.00 H new ATOM 0 HB3 LYS A 59 15.109 1.954 -2.806 1.00 1.00 H new ATOM 0 HG2 LYS A 59 14.080 -0.763 -3.635 1.00 1.00 H new ATOM 0 HG3 LYS A 59 15.759 -0.379 -3.959 1.00 1.00 H new ATOM 0 HD2 LYS A 59 15.150 0.476 -1.264 1.00 1.00 H new ATOM 0 HD3 LYS A 59 14.563 -1.164 -1.459 1.00 1.00 H new ATOM 0 HE2 LYS A 59 16.744 -1.977 -2.118 1.00 1.00 H new ATOM 0 HE3 LYS A 59 17.362 -0.354 -2.349 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 18.110 -1.286 -0.261 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 17.106 0.053 0.026 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 16.508 -1.520 0.250 1.00 1.00 H new ATOM 888 N LYS A 60 11.240 3.108 -3.693 1.00 1.00 N ATOM 889 CA LYS A 60 10.638 4.378 -4.060 1.00 1.00 C ATOM 890 C LYS A 60 9.660 4.808 -2.966 1.00 1.00 C ATOM 891 O LYS A 60 9.635 5.974 -2.573 1.00 1.00 O ATOM 892 CB LYS A 60 10.005 4.289 -5.450 1.00 1.00 C ATOM 893 CG LYS A 60 10.239 5.576 -6.243 1.00 1.00 C ATOM 894 CD LYS A 60 9.528 5.524 -7.597 1.00 1.00 C ATOM 895 CE LYS A 60 10.202 6.456 -8.606 1.00 1.00 C ATOM 896 NZ LYS A 60 10.914 5.673 -9.640 1.00 1.00 N ATOM 0 H LYS A 60 10.574 2.375 -3.450 1.00 1.00 H new ATOM 0 HA LYS A 60 11.400 5.154 -4.131 1.00 1.00 H new ATOM 0 HB2 LYS A 60 10.426 3.442 -5.992 1.00 1.00 H new ATOM 0 HB3 LYS A 60 8.935 4.106 -5.355 1.00 1.00 H new ATOM 0 HG2 LYS A 60 9.877 6.430 -5.671 1.00 1.00 H new ATOM 0 HG3 LYS A 60 11.308 5.724 -6.395 1.00 1.00 H new ATOM 0 HD2 LYS A 60 9.537 4.503 -7.978 1.00 1.00 H new ATOM 0 HD3 LYS A 60 8.483 5.809 -7.474 1.00 1.00 H new ATOM 0 HE2 LYS A 60 9.454 7.095 -9.076 1.00 1.00 H new ATOM 0 HE3 LYS A 60 10.904 7.112 -8.091 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 11.366 6.321 -10.317 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 11.641 5.082 -9.189 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 10.237 5.065 -10.143 1.00 1.00 H new ATOM 909 N GLY A 61 8.877 3.845 -2.503 1.00 1.00 N ATOM 910 CA GLY A 61 7.899 4.110 -1.462 1.00 1.00 C ATOM 911 C GLY A 61 8.558 4.121 -0.081 1.00 1.00 C ATOM 912 O GLY A 61 9.773 4.005 0.063 1.00 1.00 O ATOM 0 H GLY A 61 8.900 2.879 -2.830 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.417 5.070 -1.647 1.00 1.00 H new ATOM 0 HA3 GLY A 61 7.118 3.350 -1.490 1.00 1.00 H new ATOM 916 N PRO A 62 7.716 4.265 0.945 1.00 1.00 N ATOM 917 CA PRO A 62 8.121 4.300 2.334 1.00 1.00 C ATOM 918 C PRO A 62 8.495 2.898 2.793 1.00 1.00 C ATOM 919 O PRO A 62 7.829 1.945 2.393 1.00 1.00 O ATOM 920 CB PRO A 62 6.895 4.814 3.086 1.00 1.00 C ATOM 921 CG PRO A 62 5.732 4.176 2.218 1.00 1.00 C ATOM 922 CD PRO A 62 6.282 4.403 0.812 1.00 1.00 C ATOM 0 HA PRO A 62 8.991 4.933 2.506 1.00 1.00 H new ATOM 0 HB2 PRO A 62 6.872 4.475 4.122 1.00 1.00 H new ATOM 0 HB3 PRO A 62 6.848 5.903 3.106 1.00 1.00 H new ATOM 0 HG2 PRO A 62 5.581 3.119 2.439 1.00 1.00 H new ATOM 0 HG3 PRO A 62 4.775 4.674 2.375 1.00 1.00 H new ATOM 0 HD2 PRO A 62 5.879 3.675 0.108 1.00 1.00 H new ATOM 0 HD3 PRO A 62 6.013 5.391 0.438 1.00 1.00 H new ATOM 930 N THR A 63 9.536 2.798 3.607 1.00 1.00 N ATOM 931 CA THR A 63 9.977 1.505 4.102 1.00 1.00 C ATOM 932 C THR A 63 10.373 1.605 5.576 1.00 1.00 C ATOM 933 O THR A 63 11.222 0.849 6.048 1.00 1.00 O ATOM 934 CB THR A 63 11.111 1.015 3.200 1.00 1.00 C ATOM 935 OG1 THR A 63 11.821 2.202 2.859 1.00 1.00 O ATOM 936 CG2 THR A 63 10.603 0.486 1.857 1.00 1.00 C ATOM 0 H THR A 63 10.087 3.591 3.936 1.00 1.00 H new ATOM 0 HA THR A 63 9.172 0.771 4.063 1.00 1.00 H new ATOM 0 HB THR A 63 11.669 0.231 3.712 1.00 1.00 H new ATOM 0 HG1 THR A 63 12.576 1.976 2.276 1.00 1.00 H new ATOM 0 HG21 THR A 63 11.448 0.151 1.255 1.00 1.00 H new ATOM 0 HG22 THR A 63 9.925 -0.350 2.028 1.00 1.00 H new ATOM 0 HG23 THR A 63 10.074 1.280 1.330 1.00 1.00 H new ATOM 944 N LYS A 64 9.741 2.545 6.264 1.00 1.00 N ATOM 945 CA LYS A 64 10.017 2.754 7.675 1.00 1.00 C ATOM 946 C LYS A 64 8.699 2.961 8.423 1.00 1.00 C ATOM 947 O LYS A 64 7.708 3.392 7.835 1.00 1.00 O ATOM 948 CB LYS A 64 11.017 3.897 7.862 1.00 1.00 C ATOM 949 CG LYS A 64 12.208 3.450 8.712 1.00 1.00 C ATOM 950 CD LYS A 64 13.087 4.643 9.094 1.00 1.00 C ATOM 951 CE LYS A 64 14.300 4.750 8.167 1.00 1.00 C ATOM 952 NZ LYS A 64 14.939 6.078 8.302 1.00 1.00 N ATOM 0 H LYS A 64 9.038 3.171 5.870 1.00 1.00 H new ATOM 0 HA LYS A 64 10.492 1.872 8.105 1.00 1.00 H new ATOM 0 HB2 LYS A 64 11.369 4.240 6.889 1.00 1.00 H new ATOM 0 HB3 LYS A 64 10.522 4.743 8.339 1.00 1.00 H new ATOM 0 HG2 LYS A 64 11.850 2.954 9.614 1.00 1.00 H new ATOM 0 HG3 LYS A 64 12.800 2.720 8.160 1.00 1.00 H new ATOM 0 HD2 LYS A 64 12.502 5.562 9.041 1.00 1.00 H new ATOM 0 HD3 LYS A 64 13.422 4.537 10.126 1.00 1.00 H new ATOM 0 HE2 LYS A 64 15.019 3.967 8.408 1.00 1.00 H new ATOM 0 HE3 LYS A 64 13.991 4.592 7.134 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 15.760 6.134 7.666 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 14.255 6.820 8.050 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 15.252 6.215 9.284 1.00 1.00 H new ATOM 965 N CYS A 65 8.729 2.645 9.710 1.00 1.00 N ATOM 966 CA CYS A 65 7.549 2.792 10.544 1.00 1.00 C ATOM 967 C CYS A 65 7.101 4.253 10.490 1.00 1.00 C ATOM 968 O CYS A 65 5.910 4.537 10.371 1.00 1.00 O ATOM 969 CB CYS A 65 7.810 2.328 11.979 1.00 1.00 C ATOM 970 SG CYS A 65 8.890 0.859 12.126 1.00 1.00 S ATOM 0 H CYS A 65 9.552 2.288 10.195 1.00 1.00 H new ATOM 0 HA CYS A 65 6.751 2.154 10.164 1.00 1.00 H new ATOM 0 HB2 CYS A 65 8.261 3.150 12.535 1.00 1.00 H new ATOM 0 HB3 CYS A 65 6.854 2.108 12.454 1.00 1.00 H new ATOM 975 N GLY A 66 8.078 5.143 10.579 1.00 1.00 N ATOM 976 CA GLY A 66 7.799 6.569 10.541 1.00 1.00 C ATOM 977 C GLY A 66 7.744 7.078 9.099 1.00 1.00 C ATOM 978 O GLY A 66 7.801 8.284 8.861 1.00 1.00 O ATOM 0 H GLY A 66 9.065 4.904 10.677 1.00 1.00 H new ATOM 0 HA2 GLY A 66 6.850 6.771 11.038 1.00 1.00 H new ATOM 0 HA3 GLY A 66 8.569 7.109 11.092 1.00 1.00 H new ATOM 982 N GLU A 67 7.635 6.135 8.176 1.00 1.00 N ATOM 983 CA GLU A 67 7.572 6.473 6.764 1.00 1.00 C ATOM 984 C GLU A 67 6.214 6.074 6.183 1.00 1.00 C ATOM 985 O GLU A 67 5.951 6.296 5.002 1.00 1.00 O ATOM 986 CB GLU A 67 8.715 5.813 5.990 1.00 1.00 C ATOM 987 CG GLU A 67 9.581 6.863 5.291 1.00 1.00 C ATOM 988 CD GLU A 67 10.241 6.283 4.039 1.00 1.00 C ATOM 989 OE1 GLU A 67 10.887 5.227 4.110 1.00 1.00 O ATOM 990 OE2 GLU A 67 10.064 6.970 2.961 1.00 1.00 O ATOM 0 H GLU A 67 7.589 5.136 8.378 1.00 1.00 H new ATOM 0 HA GLU A 67 7.685 7.552 6.664 1.00 1.00 H new ATOM 0 HB2 GLU A 67 9.329 5.225 6.672 1.00 1.00 H new ATOM 0 HB3 GLU A 67 8.308 5.122 5.252 1.00 1.00 H new ATOM 0 HG2 GLU A 67 8.968 7.722 5.019 1.00 1.00 H new ATOM 0 HG3 GLU A 67 10.348 7.223 5.977 1.00 1.00 H new ATOM 998 N CYS A 68 5.387 5.493 7.039 1.00 1.00 N ATOM 999 CA CYS A 68 4.063 5.061 6.625 1.00 1.00 C ATOM 1000 C CYS A 68 3.052 5.547 7.666 1.00 1.00 C ATOM 1001 O CYS A 68 2.157 6.328 7.349 1.00 1.00 O ATOM 1002 CB CYS A 68 3.998 3.544 6.431 1.00 1.00 C ATOM 1003 SG CYS A 68 3.909 3.145 4.647 1.00 1.00 S ATOM 0 H CYS A 68 5.608 5.311 8.018 1.00 1.00 H new ATOM 0 HA CYS A 68 3.822 5.496 5.655 1.00 1.00 H new ATOM 0 HB2 CYS A 68 4.876 3.074 6.874 1.00 1.00 H new ATOM 0 HB3 CYS A 68 3.127 3.140 6.946 1.00 1.00 H new ATOM 1008 N HIS A 69 3.229 5.063 8.887 1.00 1.00 N ATOM 1009 CA HIS A 69 2.344 5.439 9.976 1.00 1.00 C ATOM 1010 C HIS A 69 2.621 6.886 10.388 1.00 1.00 C ATOM 1011 O HIS A 69 3.637 7.171 11.021 1.00 1.00 O ATOM 1012 CB HIS A 69 2.470 4.456 11.142 1.00 1.00 C ATOM 1013 CG HIS A 69 2.100 3.035 10.790 1.00 1.00 C ATOM 1014 ND1 HIS A 69 0.792 2.624 10.606 1.00 1.00 N ATOM 1015 CD2 HIS A 69 2.881 1.935 10.589 1.00 1.00 C ATOM 1016 CE1 HIS A 69 0.797 1.332 10.309 1.00 1.00 C ATOM 1017 NE2 HIS A 69 2.093 0.907 10.300 1.00 1.00 N ATOM 0 H HIS A 69 3.972 4.414 9.146 1.00 1.00 H new ATOM 0 HA HIS A 69 1.308 5.386 9.642 1.00 1.00 H new ATOM 0 HB2 HIS A 69 3.496 4.473 11.509 1.00 1.00 H new ATOM 0 HB3 HIS A 69 1.833 4.794 11.960 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -0.036 3.215 10.685 1.00 1.00 H new ATOM 0 HD2 HIS A 69 3.959 1.906 10.654 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -0.072 0.723 10.109 1.00 1.00 H new ATOM 1025 N LYS A 70 1.701 7.761 10.011 1.00 1.00 N ATOM 1026 CA LYS A 70 1.834 9.172 10.334 1.00 1.00 C ATOM 1027 C LYS A 70 0.487 9.708 10.821 1.00 1.00 C ATOM 1028 O LYS A 70 -0.445 9.867 10.034 1.00 1.00 O ATOM 1029 CB LYS A 70 2.407 9.942 9.142 1.00 1.00 C ATOM 1030 CG LYS A 70 3.797 9.420 8.770 1.00 1.00 C ATOM 1031 CD LYS A 70 4.843 9.866 9.794 1.00 1.00 C ATOM 1032 CE LYS A 70 5.492 11.186 9.376 1.00 1.00 C ATOM 1033 NZ LYS A 70 6.241 11.776 10.507 1.00 1.00 N ATOM 0 H LYS A 70 0.861 7.521 9.485 1.00 1.00 H new ATOM 0 HA LYS A 70 2.546 9.311 11.147 1.00 1.00 H new ATOM 0 HB2 LYS A 70 1.738 9.847 8.287 1.00 1.00 H new ATOM 0 HB3 LYS A 70 2.466 11.003 9.384 1.00 1.00 H new ATOM 0 HG2 LYS A 70 3.778 8.332 8.715 1.00 1.00 H new ATOM 0 HG3 LYS A 70 4.073 9.784 7.781 1.00 1.00 H new ATOM 0 HD2 LYS A 70 4.374 9.981 10.771 1.00 1.00 H new ATOM 0 HD3 LYS A 70 5.608 9.097 9.896 1.00 1.00 H new ATOM 0 HE2 LYS A 70 6.165 11.017 8.535 1.00 1.00 H new ATOM 0 HE3 LYS A 70 4.726 11.883 9.036 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 6.675 12.672 10.206 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 5.590 11.955 11.298 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 6.985 11.116 10.813 1.00 1.00 H new ATOM 1046 N LYS A 71 0.426 9.973 12.118 1.00 1.00 N ATOM 1047 CA LYS A 71 -0.792 10.489 12.720 1.00 1.00 C ATOM 1048 C LYS A 71 -1.249 11.731 11.954 1.00 1.00 C ATOM 1049 O LYS A 71 -1.904 12.607 12.517 1.00 1.00 O ATOM 1050 CB LYS A 71 -0.589 10.730 14.217 1.00 1.00 C ATOM 1051 CG LYS A 71 -1.923 10.689 14.966 1.00 1.00 C ATOM 1052 CD LYS A 71 -2.151 11.981 15.752 1.00 1.00 C ATOM 1053 CE LYS A 71 -3.239 12.835 15.099 1.00 1.00 C ATOM 1054 NZ LYS A 71 -4.134 13.410 16.129 1.00 1.00 N ATOM 0 H LYS A 71 1.200 9.840 12.769 1.00 1.00 H new ATOM 0 HA LYS A 71 -1.594 9.755 12.644 1.00 1.00 H new ATOM 0 HB2 LYS A 71 0.083 9.974 14.623 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -0.111 11.697 14.372 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -2.738 10.542 14.257 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -1.936 9.838 15.647 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -2.437 11.742 16.776 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -1.221 12.548 15.805 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -2.781 13.636 14.518 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -3.818 12.228 14.403 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -4.867 13.987 15.669 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -4.584 12.641 16.666 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -3.580 14.006 16.777 1.00 1.00 H new TER 1067 LYS A 71 HETATM 1068 CHA HEM A 101 -8.995 -0.839 -3.872 1.00 1.00 C HETATM 1069 CHB HEM A 101 -9.182 -0.185 -8.694 1.00 1.00 C HETATM 1070 CHC HEM A 101 -4.323 0.098 -8.857 1.00 1.00 C HETATM 1071 CHD HEM A 101 -4.130 -1.002 -4.049 1.00 1.00 C HETATM 1072 C1A HEM A 101 -9.453 -0.722 -5.180 1.00 1.00 C HETATM 1073 C2A HEM A 101 -10.835 -0.872 -5.571 1.00 1.00 C HETATM 1074 C3A HEM A 101 -10.891 -0.691 -6.908 1.00 1.00 C HETATM 1075 C4A HEM A 101 -9.544 -0.428 -7.357 1.00 1.00 C HETATM 1076 CMA HEM A 101 -12.098 -0.745 -7.798 1.00 1.00 C HETATM 1077 CAA HEM A 101 -11.966 -1.173 -4.632 1.00 1.00 C HETATM 1078 CBA HEM A 101 -11.718 -2.376 -3.726 1.00 1.00 C HETATM 1079 CGA HEM A 101 -11.897 -2.005 -2.261 1.00 1.00 C HETATM 1080 O1A HEM A 101 -12.321 -2.899 -1.497 1.00 1.00 O HETATM 1081 O2A HEM A 101 -11.607 -0.835 -1.932 1.00 1.00 O HETATM 1082 C1B HEM A 101 -7.876 -0.009 -9.139 1.00 1.00 C HETATM 1083 C2B HEM A 101 -7.520 0.346 -10.493 1.00 1.00 C HETATM 1084 C3B HEM A 101 -6.173 0.425 -10.541 1.00 1.00 C HETATM 1085 C4B HEM A 101 -5.682 0.120 -9.218 1.00 1.00 C HETATM 1086 CMB HEM A 101 -8.500 0.575 -11.606 1.00 1.00 C HETATM 1087 CAB HEM A 101 -5.309 0.762 -11.721 1.00 1.00 C HETATM 1088 CBB HEM A 101 -5.849 1.902 -12.580 1.00 1.00 C HETATM 1089 C1C HEM A 101 -3.817 -0.250 -7.520 1.00 1.00 C HETATM 1090 C2C HEM A 101 -2.428 -0.426 -7.168 1.00 1.00 C HETATM 1091 C3C HEM A 101 -2.387 -0.722 -5.852 1.00 1.00 C HETATM 1092 C4C HEM A 101 -3.750 -0.733 -5.376 1.00 1.00 C HETATM 1093 CMC HEM A 101 -1.276 -0.294 -8.122 1.00 1.00 C HETATM 1094 CAC HEM A 101 -1.179 -0.996 -5.003 1.00 1.00 C HETATM 1095 CBC HEM A 101 -0.030 -0.018 -5.226 1.00 1.00 C HETATM 1096 C1D HEM A 101 -5.444 -1.030 -3.595 1.00 1.00 C HETATM 1097 C2D HEM A 101 -5.824 -1.260 -2.220 1.00 1.00 C HETATM 1098 C3D HEM A 101 -7.172 -1.216 -2.168 1.00 1.00 C HETATM 1099 C4D HEM A 101 -7.641 -0.958 -3.509 1.00 1.00 C HETATM 1100 CMD HEM A 101 -4.862 -1.500 -1.093 1.00 1.00 C HETATM 1101 CAD HEM A 101 -8.056 -1.394 -0.968 1.00 1.00 C HETATM 1102 CBD HEM A 101 -7.740 -2.639 -0.144 1.00 1.00 C HETATM 1103 CGD HEM A 101 -7.007 -2.274 1.139 1.00 1.00 C HETATM 1104 O1D HEM A 101 -5.795 -2.572 1.205 1.00 1.00 O HETATM 1105 O2D HEM A 101 -7.672 -1.704 2.031 1.00 1.00 O HETATM 1106 NA HEM A 101 -8.668 -0.449 -6.286 1.00 1.00 N HETATM 1107 NB HEM A 101 -6.738 -0.146 -8.363 1.00 1.00 N HETATM 1108 NC HEM A 101 -4.622 -0.440 -6.411 1.00 1.00 N HETATM 1109 ND HEM A 101 -6.570 -0.845 -4.379 1.00 1.00 N HETATM 1110 FE HEM A 101 -6.502 -0.523 -6.403 1.00 1.00 FE HETATM 0 HMA1 HEM A 101 -11.953 -0.080 -8.649 1.00 1.00 H new HETATM 0 HMA2 HEM A 101 -12.978 -0.430 -7.237 1.00 1.00 H new HETATM 0 HMA3 HEM A 101 -12.241 -1.765 -8.155 1.00 1.00 H new HETATM 0 HMB1 HEM A 101 -9.386 -0.039 -11.443 1.00 1.00 H new HETATM 0 HMB2 HEM A 101 -8.041 0.304 -12.557 1.00 1.00 H new HETATM 0 HMB3 HEM A 101 -8.787 1.626 -11.628 1.00 1.00 H new HETATM 0 HMC1 HEM A 101 -1.599 -0.575 -9.124 1.00 1.00 H new HETATM 0 HMC2 HEM A 101 -0.465 -0.949 -7.805 1.00 1.00 H new HETATM 0 HMC3 HEM A 101 -0.927 0.738 -8.130 1.00 1.00 H new HETATM 0 HMD1 HEM A 101 -5.291 -1.126 -0.163 1.00 1.00 H new HETATM 0 HMD2 HEM A 101 -3.926 -0.979 -1.296 1.00 1.00 H new HETATM 0 HMD3 HEM A 101 -4.670 -2.569 -1.000 1.00 1.00 H new HETATM 0 HBB1 HEM A 101 -5.298 2.227 -13.463 1.00 1.00 H new HETATM 0 HBB2 HEM A 101 -6.785 2.391 -12.311 1.00 1.00 H new HETATM 0 HBC1 HEM A 101 0.895 -0.126 -4.660 1.00 1.00 H new HETATM 0 HBC2 HEM A 101 -0.134 0.789 -5.951 1.00 1.00 H new HETATM 0 HBA1 HEM A 101 -10.709 -2.755 -3.888 1.00 1.00 H new HETATM 0 HBA2 HEM A 101 -12.406 -3.180 -3.987 1.00 1.00 H new HETATM 0 HAA1 HEM A 101 -12.870 -1.350 -5.214 1.00 1.00 H new HETATM 0 HAA2 HEM A 101 -12.153 -0.296 -4.012 1.00 1.00 H new HETATM 0 HBD1 HEM A 101 -7.130 -3.324 -0.733 1.00 1.00 H new HETATM 0 HBD2 HEM A 101 -8.664 -3.163 0.098 1.00 1.00 H new HETATM 0 HAD1 HEM A 101 -9.094 -1.443 -1.298 1.00 1.00 H new HETATM 0 HAD2 HEM A 101 -7.966 -0.515 -0.329 1.00 1.00 H new HETATM 0 HHA HEM A 101 -9.730 -0.838 -3.080 1.00 1.00 H new HETATM 0 HHB HEM A 101 -9.974 -0.131 -9.427 1.00 1.00 H new HETATM 0 HHC HEM A 101 -3.599 0.355 -9.616 1.00 1.00 H new HETATM 0 HHD HEM A 101 -3.347 -1.201 -3.333 1.00 1.00 H new HETATM 0 HAB HEM A 101 -4.379 0.239 -11.944 1.00 1.00 H new HETATM 0 HAC HEM A 101 -1.128 -1.820 -4.291 1.00 1.00 H new HETATM 1111 CHA HEM A 102 5.333 5.479 -2.554 1.00 1.00 C HETATM 1112 CHB HEM A 102 2.086 3.630 0.570 1.00 1.00 C HETATM 1113 CHC HEM A 102 1.901 -0.475 -2.045 1.00 1.00 C HETATM 1114 CHD HEM A 102 5.232 1.349 -5.134 1.00 1.00 C HETATM 1115 C1A HEM A 102 4.442 5.332 -1.496 1.00 1.00 C HETATM 1116 C2A HEM A 102 4.144 6.368 -0.535 1.00 1.00 C HETATM 1117 C3A HEM A 102 3.244 5.859 0.332 1.00 1.00 C HETATM 1118 C4A HEM A 102 2.976 4.502 -0.082 1.00 1.00 C HETATM 1119 CMA HEM A 102 2.616 6.536 1.515 1.00 1.00 C HETATM 1120 CAA HEM A 102 4.748 7.742 -0.540 1.00 1.00 C HETATM 1121 CBA HEM A 102 4.794 8.395 -1.919 1.00 1.00 C HETATM 1122 CGA HEM A 102 4.015 9.703 -1.932 1.00 1.00 C HETATM 1123 O1A HEM A 102 2.769 9.620 -1.969 1.00 1.00 O HETATM 1124 O2A HEM A 102 4.681 10.760 -1.905 1.00 1.00 O HETATM 1125 C1B HEM A 102 1.759 2.354 0.121 1.00 1.00 C HETATM 1126 C2B HEM A 102 0.820 1.478 0.780 1.00 1.00 C HETATM 1127 C3B HEM A 102 0.766 0.339 0.057 1.00 1.00 C HETATM 1128 C4B HEM A 102 1.672 0.499 -1.056 1.00 1.00 C HETATM 1129 CMB HEM A 102 0.066 1.813 2.033 1.00 1.00 C HETATM 1130 CAB HEM A 102 -0.061 -0.885 0.321 1.00 1.00 C HETATM 1131 CBB HEM A 102 -1.480 -0.585 0.795 1.00 1.00 C HETATM 1132 C1C HEM A 102 2.823 -0.349 -3.126 1.00 1.00 C HETATM 1133 C2C HEM A 102 3.155 -1.391 -4.069 1.00 1.00 C HETATM 1134 C3C HEM A 102 4.078 -0.884 -4.913 1.00 1.00 C HETATM 1135 C4C HEM A 102 4.327 0.477 -4.502 1.00 1.00 C HETATM 1136 CMC HEM A 102 2.559 -2.769 -4.070 1.00 1.00 C HETATM 1137 CAC HEM A 102 4.746 -1.567 -6.071 1.00 1.00 C HETATM 1138 CBC HEM A 102 3.997 -2.795 -6.582 1.00 1.00 C HETATM 1139 C1D HEM A 102 5.491 2.652 -4.722 1.00 1.00 C HETATM 1140 C2D HEM A 102 6.275 3.601 -5.477 1.00 1.00 C HETATM 1141 C3D HEM A 102 6.305 4.747 -4.765 1.00 1.00 C HETATM 1142 C4D HEM A 102 5.540 4.519 -3.561 1.00 1.00 C HETATM 1143 CMD HEM A 102 6.918 3.321 -6.804 1.00 1.00 C HETATM 1144 CAD HEM A 102 6.989 6.036 -5.116 1.00 1.00 C HETATM 1145 CBD HEM A 102 6.237 6.879 -6.142 1.00 1.00 C HETATM 1146 CGD HEM A 102 5.116 7.670 -5.484 1.00 1.00 C HETATM 1147 O1D HEM A 102 3.950 7.254 -5.657 1.00 1.00 O HETATM 1148 O2D HEM A 102 5.445 8.677 -4.820 1.00 1.00 O HETATM 1149 NA HEM A 102 3.718 4.188 -1.208 1.00 1.00 N HETATM 1150 NB HEM A 102 2.278 1.743 -1.007 1.00 1.00 N HETATM 1151 NC HEM A 102 3.550 0.797 -3.402 1.00 1.00 N HETATM 1152 ND HEM A 102 5.044 3.227 -3.546 1.00 1.00 N HETATM 1153 FE HEM A 102 3.774 2.490 -2.329 1.00 1.00 FE HETATM 0 HMA1 HEM A 102 3.308 7.273 1.922 1.00 1.00 H new HETATM 0 HMA2 HEM A 102 2.386 5.794 2.279 1.00 1.00 H new HETATM 0 HMA3 HEM A 102 1.697 7.034 1.204 1.00 1.00 H new HETATM 0 HMB1 HEM A 102 -0.892 1.293 2.031 1.00 1.00 H new HETATM 0 HMB2 HEM A 102 -0.105 2.889 2.078 1.00 1.00 H new HETATM 0 HMB3 HEM A 102 0.646 1.501 2.901 1.00 1.00 H new HETATM 0 HMC1 HEM A 102 2.535 -3.154 -5.089 1.00 1.00 H new HETATM 0 HMC2 HEM A 102 1.544 -2.727 -3.674 1.00 1.00 H new HETATM 0 HMC3 HEM A 102 3.164 -3.428 -3.447 1.00 1.00 H new HETATM 0 HMD1 HEM A 102 6.972 4.242 -7.384 1.00 1.00 H new HETATM 0 HMD2 HEM A 102 6.326 2.585 -7.347 1.00 1.00 H new HETATM 0 HMD3 HEM A 102 7.924 2.932 -6.646 1.00 1.00 H new HETATM 0 HBB1 HEM A 102 -2.165 -1.403 1.015 1.00 1.00 H new HETATM 0 HBB2 HEM A 102 -1.808 0.448 0.913 1.00 1.00 H new HETATM 0 HBC1 HEM A 102 4.395 -3.366 -7.421 1.00 1.00 H new HETATM 0 HBC2 HEM A 102 3.064 -3.101 -6.108 1.00 1.00 H new HETATM 0 HBA1 HEM A 102 4.379 7.714 -2.662 1.00 1.00 H new HETATM 0 HBA2 HEM A 102 5.830 8.582 -2.202 1.00 1.00 H new HETATM 0 HAA1 HEM A 102 5.761 7.684 -0.143 1.00 1.00 H new HETATM 0 HAA2 HEM A 102 4.178 8.381 0.134 1.00 1.00 H new HETATM 0 HBD1 HEM A 102 5.824 6.232 -6.916 1.00 1.00 H new HETATM 0 HBD2 HEM A 102 6.929 7.563 -6.633 1.00 1.00 H new HETATM 0 HAD1 HEM A 102 7.984 5.814 -5.502 1.00 1.00 H new HETATM 0 HAD2 HEM A 102 7.124 6.623 -4.207 1.00 1.00 H new HETATM 0 HHA HEM A 102 5.905 6.393 -2.606 1.00 1.00 H new HETATM 0 HHB HEM A 102 1.624 3.975 1.483 1.00 1.00 H new HETATM 0 HHC HEM A 102 1.333 -1.391 -1.981 1.00 1.00 H new HETATM 0 HHD HEM A 102 5.763 0.981 -6.000 1.00 1.00 H new HETATM 0 HAB HEM A 102 0.318 -1.898 0.186 1.00 1.00 H new HETATM 0 HAC HEM A 102 5.682 -1.218 -6.508 1.00 1.00 H new HETATM 1154 CHA HEM A 103 -0.621 -1.967 10.463 1.00 1.00 C HETATM 1155 CHB HEM A 103 3.428 -1.519 13.133 1.00 1.00 C HETATM 1156 CHC HEM A 103 5.893 -0.031 9.205 1.00 1.00 C HETATM 1157 CHD HEM A 103 1.658 0.016 6.642 1.00 1.00 C HETATM 1158 C1A HEM A 103 0.273 -1.957 11.528 1.00 1.00 C HETATM 1159 C2A HEM A 103 -0.079 -2.293 12.887 1.00 1.00 C HETATM 1160 C3A HEM A 103 1.041 -2.170 13.630 1.00 1.00 C HETATM 1161 C4A HEM A 103 2.098 -1.756 12.738 1.00 1.00 C HETATM 1162 CMA HEM A 103 1.203 -2.407 15.103 1.00 1.00 C HETATM 1163 CAA HEM A 103 -1.451 -2.699 13.344 1.00 1.00 C HETATM 1164 CBA HEM A 103 -2.400 -1.527 13.576 1.00 1.00 C HETATM 1165 CGA HEM A 103 -2.944 -1.536 14.997 1.00 1.00 C HETATM 1166 O1A HEM A 103 -2.182 -1.956 15.894 1.00 1.00 O HETATM 1167 O2A HEM A 103 -4.112 -1.121 15.160 1.00 1.00 O HETATM 1168 C1B HEM A 103 4.455 -1.157 12.267 1.00 1.00 C HETATM 1169 C2B HEM A 103 5.856 -1.175 12.618 1.00 1.00 C HETATM 1170 C3B HEM A 103 6.542 -0.763 11.531 1.00 1.00 C HETATM 1171 C4B HEM A 103 5.573 -0.486 10.497 1.00 1.00 C HETATM 1172 CMB HEM A 103 6.401 -1.584 13.955 1.00 1.00 C HETATM 1173 CAB HEM A 103 8.027 -0.608 11.380 1.00 1.00 C HETATM 1174 CBB HEM A 103 8.824 -1.845 11.783 1.00 1.00 C HETATM 1175 C1C HEM A 103 4.922 0.109 8.075 1.00 1.00 C HETATM 1176 C2C HEM A 103 5.178 0.747 6.806 1.00 1.00 C HETATM 1177 C3C HEM A 103 4.007 0.785 6.136 1.00 1.00 C HETATM 1178 C4C HEM A 103 3.013 0.170 6.984 1.00 1.00 C HETATM 1179 CMC HEM A 103 6.516 1.259 6.357 1.00 1.00 C HETATM 1180 CAC HEM A 103 3.741 1.347 4.770 1.00 1.00 C HETATM 1181 CBC HEM A 103 4.670 0.810 3.686 1.00 1.00 C HETATM 1182 C1D HEM A 103 0.705 -0.599 7.449 1.00 1.00 C HETATM 1183 C2D HEM A 103 -0.599 -1.016 6.991 1.00 1.00 C HETATM 1184 C3D HEM A 103 -1.233 -1.566 8.048 1.00 1.00 C HETATM 1185 C4D HEM A 103 -0.328 -1.495 9.170 1.00 1.00 C HETATM 1186 CMD HEM A 103 -1.111 -0.850 5.590 1.00 1.00 C HETATM 1187 CAD HEM A 103 -2.614 -2.153 8.094 1.00 1.00 C HETATM 1188 CBD HEM A 103 -3.719 -1.168 7.723 1.00 1.00 C HETATM 1189 CGD HEM A 103 -4.667 -1.771 6.696 1.00 1.00 C HETATM 1190 O1D HEM A 103 -4.153 -2.429 5.766 1.00 1.00 O HETATM 1191 O2D HEM A 103 -5.889 -1.562 6.860 1.00 1.00 O HETATM 1192 NA HEM A 103 1.615 -1.628 11.448 1.00 1.00 N HETATM 1193 NB HEM A 103 4.292 -0.731 10.961 1.00 1.00 N HETATM 1194 NC HEM A 103 3.587 -0.242 8.175 1.00 1.00 N HETATM 1195 ND HEM A 103 0.862 -0.898 8.791 1.00 1.00 N HETATM 1196 FE HEM A 103 2.645 -0.779 9.836 1.00 1.00 FE HETATM 0 HMA1 HEM A 103 0.265 -2.185 15.612 1.00 1.00 H new HETATM 0 HMA2 HEM A 103 1.989 -1.759 15.491 1.00 1.00 H new HETATM 0 HMA3 HEM A 103 1.473 -3.449 15.276 1.00 1.00 H new HETATM 0 HMB1 HEM A 103 5.672 -1.353 14.731 1.00 1.00 H new HETATM 0 HMB2 HEM A 103 7.325 -1.041 14.153 1.00 1.00 H new HETATM 0 HMB3 HEM A 103 6.602 -2.655 13.954 1.00 1.00 H new HETATM 0 HMC1 HEM A 103 7.096 1.573 7.225 1.00 1.00 H new HETATM 0 HMC2 HEM A 103 6.375 2.109 5.689 1.00 1.00 H new HETATM 0 HMC3 HEM A 103 7.050 0.468 5.830 1.00 1.00 H new HETATM 0 HMD1 HEM A 103 -1.813 -1.652 5.362 1.00 1.00 H new HETATM 0 HMD2 HEM A 103 -0.276 -0.888 4.891 1.00 1.00 H new HETATM 0 HMD3 HEM A 103 -1.617 0.111 5.499 1.00 1.00 H new HETATM 0 HBB1 HEM A 103 9.912 -1.840 11.712 1.00 1.00 H new HETATM 0 HBB2 HEM A 103 8.306 -2.734 12.142 1.00 1.00 H new HETATM 0 HBC1 HEM A 103 4.563 1.153 2.657 1.00 1.00 H new HETATM 0 HBC2 HEM A 103 5.441 0.083 3.940 1.00 1.00 H new HETATM 0 HBA1 HEM A 103 -3.226 -1.578 12.867 1.00 1.00 H new HETATM 0 HBA2 HEM A 103 -1.877 -0.589 13.389 1.00 1.00 H new HETATM 0 HAA1 HEM A 103 -1.361 -3.269 14.269 1.00 1.00 H new HETATM 0 HAA2 HEM A 103 -1.888 -3.365 12.600 1.00 1.00 H new HETATM 0 HBD1 HEM A 103 -3.278 -0.255 7.323 1.00 1.00 H new HETATM 0 HBD2 HEM A 103 -4.276 -0.888 8.617 1.00 1.00 H new HETATM 0 HAD1 HEM A 103 -2.803 -2.534 9.098 1.00 1.00 H new HETATM 0 HAD2 HEM A 103 -2.658 -3.005 7.416 1.00 1.00 H new HETATM 0 HHA HEM A 103 -1.609 -2.365 10.641 1.00 1.00 H new HETATM 0 HHB HEM A 103 3.668 -1.626 14.181 1.00 1.00 H new HETATM 0 HHC HEM A 103 6.921 0.239 9.013 1.00 1.00 H new HETATM 0 HHD HEM A 103 1.334 0.402 5.687 1.00 1.00 H new HETATM 0 HAB HEM A 103 8.494 0.307 11.015 1.00 1.00 H new HETATM 0 HAC HEM A 103 2.954 2.074 4.570 1.00 1.00 H new