USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=11 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= -5.86! C(o=-7.5!,f=-14!) USER MOD Set 1.2: A 103 HEM CMA :methyl 150:sc= -1.64 (180deg=-0.0696) USER MOD Single : A 1 ALA N :NH3+ -137:sc= 0.113 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 151:sc= -0.177 (180deg=-0.885) 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= -7.84! C(o=-7.8!,f=-16!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -119:sc= 0.0611 (180deg=-0.0898) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -158:sc= -0.0213 (180deg=-0.289) 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 150:sc= -0.174 (180deg=-0.174) USER MOD Single : A 101 HEM CMB :methyl -30:sc= -1.5 (180deg=-4.55!) USER MOD Single : A 101 HEM CMC :methyl -30:sc= -5.05! (180deg=-7.24!) USER MOD Single : A 101 HEM CMD :methyl -30:sc= -6.69! (180deg=-7.43!) USER MOD Single : A 102 HEM CMA :methyl 150:sc= -0.129 (180deg=-0.129) USER MOD Single : A 102 HEM CMB :methyl 150:sc= -5.87! (180deg=-5.87!) USER MOD Single : A 102 HEM CMC :methyl 150:sc= -12.2! (180deg=-12.2!) USER MOD Single : A 102 HEM CMD :methyl -30:sc= -1.36 (180deg=-3.34) USER MOD Single : A 103 HEM CMB :methyl -30:sc= -0.282 (180deg=-1.75) USER MOD Single : A 103 HEM CMC :methyl -30:sc= -4.7! (180deg=-6.17!) USER MOD Single : A 103 HEM CMD :methyl 150:sc= -0.461 (180deg=-0.461) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.065 11.105 -1.434 1.00 1.00 N ATOM 2 CA ALA A 1 -10.837 10.770 -2.830 1.00 1.00 C ATOM 3 C ALA A 1 -10.169 9.396 -2.918 1.00 1.00 C ATOM 4 O ALA A 1 -10.247 8.603 -1.981 1.00 1.00 O ATOM 5 CB ALA A 1 -10.000 11.869 -3.488 1.00 1.00 C ATOM 0 H1 ALA A 1 -12.013 11.519 -1.327 1.00 1.00 H new ATOM 0 H2 ALA A 1 -10.995 10.244 -0.855 1.00 1.00 H new ATOM 0 H3 ALA A 1 -10.350 11.792 -1.121 1.00 1.00 H new ATOM 0 HA ALA A 1 -11.782 10.712 -3.370 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -9.829 11.618 -4.535 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -10.532 12.818 -3.425 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -9.043 11.954 -2.974 1.00 1.00 H new ATOM 11 N ASP A 2 -9.526 9.158 -4.052 1.00 1.00 N ATOM 12 CA ASP A 2 -8.845 7.894 -4.274 1.00 1.00 C ATOM 13 C ASP A 2 -8.146 7.463 -2.983 1.00 1.00 C ATOM 14 O ASP A 2 -8.109 6.276 -2.660 1.00 1.00 O ATOM 15 CB ASP A 2 -7.782 8.026 -5.366 1.00 1.00 C ATOM 16 CG ASP A 2 -7.910 7.027 -6.518 1.00 1.00 C ATOM 17 OD1 ASP A 2 -8.034 5.813 -6.299 1.00 1.00 O ATOM 18 OD2 ASP A 2 -7.878 7.548 -7.698 1.00 1.00 O ATOM 0 H ASP A 2 -9.462 9.819 -4.826 1.00 1.00 H new ATOM 0 HA ASP A 2 -9.589 7.159 -4.582 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -7.826 9.036 -5.774 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -6.799 7.908 -4.911 1.00 1.00 H new ATOM 24 N ASP A 3 -7.609 8.449 -2.281 1.00 1.00 N ATOM 25 CA ASP A 3 -6.912 8.186 -1.033 1.00 1.00 C ATOM 26 C ASP A 3 -7.673 7.117 -0.245 1.00 1.00 C ATOM 27 O ASP A 3 -8.879 7.236 -0.035 1.00 1.00 O ATOM 28 CB ASP A 3 -6.837 9.446 -0.168 1.00 1.00 C ATOM 29 CG ASP A 3 -6.625 9.194 1.326 1.00 1.00 C ATOM 30 OD1 ASP A 3 -7.313 9.778 2.176 1.00 1.00 O ATOM 31 OD2 ASP A 3 -5.695 8.345 1.609 1.00 1.00 O ATOM 0 H ASP A 3 -7.642 9.432 -2.552 1.00 1.00 H new ATOM 0 HA ASP A 3 -5.902 7.853 -1.274 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -6.023 10.072 -0.534 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -7.759 10.013 -0.298 1.00 1.00 H new ATOM 37 N ILE A 4 -6.936 6.097 0.169 1.00 1.00 N ATOM 38 CA ILE A 4 -7.525 5.008 0.929 1.00 1.00 C ATOM 39 C ILE A 4 -6.808 4.885 2.275 1.00 1.00 C ATOM 40 O ILE A 4 -5.762 4.245 2.369 1.00 1.00 O ATOM 41 CB ILE A 4 -7.518 3.717 0.108 1.00 1.00 C ATOM 42 CG1 ILE A 4 -8.761 3.624 -0.778 1.00 1.00 C ATOM 43 CG2 ILE A 4 -7.366 2.493 1.013 1.00 1.00 C ATOM 44 CD1 ILE A 4 -8.797 2.294 -1.535 1.00 1.00 C ATOM 0 H ILE A 4 -5.936 6.002 -0.008 1.00 1.00 H new ATOM 0 HA ILE A 4 -8.573 5.216 1.144 1.00 1.00 H new ATOM 0 HB ILE A 4 -6.652 3.738 -0.554 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -9.657 3.722 -0.165 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -8.769 4.451 -1.488 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -7.364 1.589 0.405 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -6.428 2.562 1.564 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -8.198 2.455 1.716 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -9.691 2.254 -2.157 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -7.912 2.210 -2.165 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -8.814 1.470 -0.822 1.00 1.00 H new ATOM 56 N VAL A 5 -7.401 5.507 3.284 1.00 1.00 N ATOM 57 CA VAL A 5 -6.832 5.475 4.621 1.00 1.00 C ATOM 58 C VAL A 5 -7.093 4.104 5.248 1.00 1.00 C ATOM 59 O VAL A 5 -8.234 3.651 5.306 1.00 1.00 O ATOM 60 CB VAL A 5 -7.391 6.630 5.455 1.00 1.00 C ATOM 61 CG1 VAL A 5 -6.598 6.803 6.752 1.00 1.00 C ATOM 62 CG2 VAL A 5 -7.410 7.930 4.647 1.00 1.00 C ATOM 0 H VAL A 5 -8.269 6.036 3.202 1.00 1.00 H new ATOM 0 HA VAL A 5 -5.752 5.614 4.580 1.00 1.00 H new ATOM 0 HB VAL A 5 -8.419 6.385 5.721 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -7.016 7.630 7.326 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -6.657 5.887 7.340 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -5.555 7.015 6.515 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -7.812 8.735 5.262 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -6.395 8.181 4.338 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -8.037 7.801 3.765 1.00 1.00 H new ATOM 72 N LEU A 6 -6.014 3.482 5.702 1.00 1.00 N ATOM 73 CA LEU A 6 -6.111 2.172 6.323 1.00 1.00 C ATOM 74 C LEU A 6 -6.172 2.337 7.843 1.00 1.00 C ATOM 75 O LEU A 6 -5.577 3.261 8.395 1.00 1.00 O ATOM 76 CB LEU A 6 -4.973 1.268 5.847 1.00 1.00 C ATOM 77 CG LEU A 6 -4.994 0.887 4.365 1.00 1.00 C ATOM 78 CD1 LEU A 6 -3.642 0.322 3.926 1.00 1.00 C ATOM 79 CD2 LEU A 6 -6.143 -0.076 4.062 1.00 1.00 C ATOM 0 H LEU A 6 -5.068 3.861 5.652 1.00 1.00 H new ATOM 0 HA LEU A 6 -7.031 1.673 6.019 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -4.027 1.765 6.060 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -4.992 0.352 6.438 1.00 1.00 H new ATOM 0 HG LEU A 6 -5.170 1.791 3.782 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -3.683 0.059 2.869 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -2.866 1.071 4.083 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -3.412 -0.567 4.512 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.135 -0.330 3.002 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -6.023 -0.983 4.654 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.091 0.399 4.314 1.00 1.00 H new ATOM 91 N LYS A 7 -6.897 1.426 8.476 1.00 1.00 N ATOM 92 CA LYS A 7 -7.042 1.458 9.922 1.00 1.00 C ATOM 93 C LYS A 7 -5.742 0.981 10.572 1.00 1.00 C ATOM 94 O LYS A 7 -5.301 -0.142 10.334 1.00 1.00 O ATOM 95 CB LYS A 7 -8.275 0.661 10.354 1.00 1.00 C ATOM 96 CG LYS A 7 -9.536 1.183 9.662 1.00 1.00 C ATOM 97 CD LYS A 7 -10.658 1.420 10.674 1.00 1.00 C ATOM 98 CE LYS A 7 -12.031 1.274 10.014 1.00 1.00 C ATOM 99 NZ LYS A 7 -12.227 -0.109 9.525 1.00 1.00 N ATOM 0 H LYS A 7 -7.390 0.662 8.014 1.00 1.00 H new ATOM 0 HA LYS A 7 -7.214 2.478 10.265 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -8.134 -0.393 10.114 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -8.395 0.728 11.435 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -9.310 2.113 9.140 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -9.865 0.466 8.910 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -10.568 0.709 11.495 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -10.561 2.417 11.103 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -12.814 1.527 10.729 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -12.118 1.975 9.184 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -13.240 -0.342 9.541 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -11.869 -0.187 8.552 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -11.710 -0.771 10.139 1.00 1.00 H new ATOM 112 N ALA A 8 -5.166 1.859 11.380 1.00 1.00 N ATOM 113 CA ALA A 8 -3.925 1.541 12.066 1.00 1.00 C ATOM 114 C ALA A 8 -3.727 2.515 13.230 1.00 1.00 C ATOM 115 O ALA A 8 -3.432 3.690 13.017 1.00 1.00 O ATOM 116 CB ALA A 8 -2.765 1.581 11.069 1.00 1.00 C ATOM 0 H ALA A 8 -5.535 2.790 11.575 1.00 1.00 H new ATOM 0 HA ALA A 8 -3.963 0.534 12.481 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -1.834 1.342 11.584 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -2.940 0.851 10.278 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -2.694 2.578 10.634 1.00 1.00 H new ATOM 122 N LYS A 9 -3.897 1.990 14.434 1.00 1.00 N ATOM 123 CA LYS A 9 -3.741 2.798 15.632 1.00 1.00 C ATOM 124 C LYS A 9 -2.268 3.178 15.797 1.00 1.00 C ATOM 125 O LYS A 9 -1.929 4.010 16.636 1.00 1.00 O ATOM 126 CB LYS A 9 -4.330 2.076 16.846 1.00 1.00 C ATOM 127 CG LYS A 9 -5.850 2.247 16.901 1.00 1.00 C ATOM 128 CD LYS A 9 -6.529 0.960 17.372 1.00 1.00 C ATOM 129 CE LYS A 9 -7.605 0.513 16.380 1.00 1.00 C ATOM 130 NZ LYS A 9 -7.609 -0.962 16.250 1.00 1.00 N ATOM 0 H LYS A 9 -4.141 1.015 14.606 1.00 1.00 H new ATOM 0 HA LYS A 9 -4.302 3.728 15.540 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -4.081 1.016 16.799 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -3.883 2.468 17.759 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -6.104 3.064 17.576 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -6.225 2.520 15.915 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -5.784 0.172 17.486 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -6.977 1.119 18.353 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -8.583 0.857 16.716 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -7.423 0.969 15.407 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -8.345 -1.249 15.573 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -6.681 -1.283 15.909 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -7.805 -1.392 17.177 1.00 1.00 H new ATOM 143 N ASN A 10 -1.433 2.549 14.983 1.00 1.00 N ATOM 144 CA ASN A 10 -0.005 2.810 15.029 1.00 1.00 C ATOM 145 C ASN A 10 0.329 3.965 14.082 1.00 1.00 C ATOM 146 O ASN A 10 1.493 4.331 13.930 1.00 1.00 O ATOM 147 CB ASN A 10 0.794 1.585 14.580 1.00 1.00 C ATOM 148 CG ASN A 10 0.638 0.434 15.575 1.00 1.00 C ATOM 149 OD1 ASN A 10 -0.356 -0.273 15.596 1.00 1.00 O ATOM 150 ND2 ASN A 10 1.674 0.285 16.397 1.00 1.00 N ATOM 0 H ASN A 10 -1.718 1.859 14.288 1.00 1.00 H new ATOM 0 HA ASN A 10 0.259 3.056 16.057 1.00 1.00 H new ATOM 0 HB2 ASN A 10 0.455 1.267 13.594 1.00 1.00 H new ATOM 0 HB3 ASN A 10 1.847 1.848 14.485 1.00 1.00 H new ATOM 0 HD21 ASN A 10 1.666 -0.456 17.098 1.00 1.00 H new ATOM 0 HD22 ASN A 10 2.476 0.912 16.326 1.00 1.00 H new ATOM 157 N GLY A 11 -0.715 4.506 13.470 1.00 1.00 N ATOM 158 CA GLY A 11 -0.547 5.612 12.542 1.00 1.00 C ATOM 159 C GLY A 11 -1.124 5.266 11.168 1.00 1.00 C ATOM 160 O GLY A 11 -0.589 4.413 10.463 1.00 1.00 O ATOM 0 H GLY A 11 -1.679 4.199 13.599 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -1.042 6.500 12.935 1.00 1.00 H new ATOM 0 HA3 GLY A 11 0.512 5.853 12.446 1.00 1.00 H new ATOM 164 N ASP A 12 -2.209 5.948 10.829 1.00 1.00 N ATOM 165 CA ASP A 12 -2.865 5.723 9.552 1.00 1.00 C ATOM 166 C ASP A 12 -1.811 5.676 8.444 1.00 1.00 C ATOM 167 O ASP A 12 -0.759 6.304 8.556 1.00 1.00 O ATOM 168 CB ASP A 12 -3.841 6.856 9.228 1.00 1.00 C ATOM 169 CG ASP A 12 -5.316 6.527 9.466 1.00 1.00 C ATOM 170 OD1 ASP A 12 -5.707 5.352 9.523 1.00 1.00 O ATOM 171 OD2 ASP A 12 -6.089 7.551 9.599 1.00 1.00 O ATOM 0 H ASP A 12 -2.650 6.656 11.416 1.00 1.00 H new ATOM 0 HA ASP A 12 -3.412 4.782 9.614 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -3.577 7.726 9.829 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -3.711 7.139 8.183 1.00 1.00 H new ATOM 177 N VAL A 13 -2.129 4.925 7.400 1.00 1.00 N ATOM 178 CA VAL A 13 -1.223 4.787 6.273 1.00 1.00 C ATOM 179 C VAL A 13 -1.904 5.316 5.009 1.00 1.00 C ATOM 180 O VAL A 13 -2.450 4.543 4.224 1.00 1.00 O ATOM 181 CB VAL A 13 -0.768 3.332 6.142 1.00 1.00 C ATOM 182 CG1 VAL A 13 0.265 3.179 5.024 1.00 1.00 C ATOM 183 CG2 VAL A 13 -0.219 2.808 7.471 1.00 1.00 C ATOM 0 H VAL A 13 -3.002 4.405 7.311 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.324 5.382 6.431 1.00 1.00 H new ATOM 0 HB VAL A 13 -1.638 2.731 5.878 1.00 1.00 H new ATOM 0 HG11 VAL A 13 0.572 2.135 4.952 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.174 3.494 4.077 1.00 1.00 H new ATOM 0 HG13 VAL A 13 1.134 3.798 5.245 1.00 1.00 H new ATOM 0 HG21 VAL A 13 0.097 1.772 7.351 1.00 1.00 H new ATOM 0 HG22 VAL A 13 0.633 3.415 7.777 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -0.996 2.864 8.233 1.00 1.00 H new ATOM 193 N LYS A 14 -1.848 6.631 4.852 1.00 1.00 N ATOM 194 CA LYS A 14 -2.453 7.272 3.697 1.00 1.00 C ATOM 195 C LYS A 14 -1.800 6.735 2.421 1.00 1.00 C ATOM 196 O LYS A 14 -0.657 7.071 2.116 1.00 1.00 O ATOM 197 CB LYS A 14 -2.381 8.795 3.830 1.00 1.00 C ATOM 198 CG LYS A 14 -2.724 9.479 2.505 1.00 1.00 C ATOM 199 CD LYS A 14 -1.715 10.582 2.181 1.00 1.00 C ATOM 200 CE LYS A 14 -2.412 11.799 1.569 1.00 1.00 C ATOM 201 NZ LYS A 14 -1.496 12.961 1.540 1.00 1.00 N ATOM 0 H LYS A 14 -1.393 7.269 5.505 1.00 1.00 H new ATOM 0 HA LYS A 14 -3.514 7.030 3.639 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -3.071 9.129 4.605 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -1.380 9.089 4.146 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -2.732 8.742 1.702 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -3.727 9.903 2.559 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -1.190 10.878 3.089 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -0.965 10.201 1.488 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -2.744 11.565 0.558 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -3.302 12.045 2.148 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -1.985 13.778 1.122 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -1.200 13.194 2.509 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -0.659 12.729 0.968 1.00 1.00 H new ATOM 214 N LEU A 15 -2.556 5.911 1.710 1.00 1.00 N ATOM 215 CA LEU A 15 -2.065 5.325 0.474 1.00 1.00 C ATOM 216 C LEU A 15 -2.670 6.073 -0.715 1.00 1.00 C ATOM 217 O LEU A 15 -3.881 6.105 -0.919 1.00 1.00 O ATOM 218 CB LEU A 15 -2.332 3.818 0.453 1.00 1.00 C ATOM 219 CG LEU A 15 -2.346 3.159 -0.927 1.00 1.00 C ATOM 220 CD1 LEU A 15 -0.980 2.555 -1.260 1.00 1.00 C ATOM 221 CD2 LEU A 15 -3.470 2.126 -1.030 1.00 1.00 C ATOM 0 H LEU A 15 -3.504 5.635 1.966 1.00 1.00 H new ATOM 0 HA LEU A 15 -0.983 5.435 0.403 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -1.573 3.326 1.061 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -3.293 3.633 0.932 1.00 1.00 H new ATOM 0 HG LEU A 15 -2.548 3.929 -1.671 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -1.017 2.093 -2.246 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -0.224 3.340 -1.256 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -0.724 1.801 -0.515 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -3.458 1.672 -2.021 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -3.324 1.353 -0.275 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -4.430 2.616 -0.867 1.00 1.00 H new ATOM 233 N PRO A 16 -1.785 6.682 -1.508 1.00 1.00 N ATOM 234 CA PRO A 16 -2.135 7.444 -2.687 1.00 1.00 C ATOM 235 C PRO A 16 -2.566 6.496 -3.797 1.00 1.00 C ATOM 236 O PRO A 16 -1.876 6.418 -4.813 1.00 1.00 O ATOM 237 CB PRO A 16 -0.855 8.186 -3.068 1.00 1.00 C ATOM 238 CG PRO A 16 0.238 7.281 -2.564 1.00 1.00 C ATOM 239 CD PRO A 16 -0.353 6.665 -1.298 1.00 1.00 C ATOM 0 HA PRO A 16 -2.962 8.133 -2.517 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -0.785 8.339 -4.145 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -0.808 9.170 -2.602 1.00 1.00 H new ATOM 0 HG2 PRO A 16 0.495 6.517 -3.298 1.00 1.00 H new ATOM 0 HG3 PRO A 16 1.151 7.837 -2.350 1.00 1.00 H new ATOM 0 HD2 PRO A 16 0.012 5.649 -1.146 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -0.077 7.239 -0.413 1.00 1.00 H new ATOM 247 N HIS A 17 -3.676 5.804 -3.589 1.00 1.00 N ATOM 248 CA HIS A 17 -4.174 4.870 -4.585 1.00 1.00 C ATOM 249 C HIS A 17 -3.970 5.455 -5.984 1.00 1.00 C ATOM 250 O HIS A 17 -3.298 4.855 -6.821 1.00 1.00 O ATOM 251 CB HIS A 17 -5.631 4.501 -4.303 1.00 1.00 C ATOM 252 CG HIS A 17 -6.142 3.343 -5.128 1.00 1.00 C ATOM 253 ND1 HIS A 17 -7.015 3.506 -6.189 1.00 1.00 N ATOM 254 CD2 HIS A 17 -5.893 2.005 -5.036 1.00 1.00 C ATOM 255 CE1 HIS A 17 -7.273 2.313 -6.705 1.00 1.00 C ATOM 256 NE2 HIS A 17 -6.578 1.384 -5.988 1.00 1.00 N ATOM 0 H HIS A 17 -4.245 5.871 -2.745 1.00 1.00 H new ATOM 0 HA HIS A 17 -3.608 3.940 -4.532 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -5.735 4.255 -3.246 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -6.259 5.372 -4.490 1.00 1.00 H new ATOM 0 HD1 HIS A 17 -7.395 4.393 -6.518 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -5.248 1.531 -4.311 1.00 1.00 H new ATOM 0 HE1 HIS A 17 -7.920 2.112 -7.546 1.00 1.00 H new ATOM 264 N LYS A 18 -4.564 6.621 -6.195 1.00 1.00 N ATOM 265 CA LYS A 18 -4.457 7.294 -7.478 1.00 1.00 C ATOM 266 C LYS A 18 -3.005 7.236 -7.960 1.00 1.00 C ATOM 267 O LYS A 18 -2.712 6.622 -8.984 1.00 1.00 O ATOM 268 CB LYS A 18 -5.018 8.715 -7.386 1.00 1.00 C ATOM 269 CG LYS A 18 -4.844 9.460 -8.712 1.00 1.00 C ATOM 270 CD LYS A 18 -4.764 10.971 -8.485 1.00 1.00 C ATOM 271 CE LYS A 18 -3.451 11.354 -7.800 1.00 1.00 C ATOM 272 NZ LYS A 18 -3.179 12.798 -7.971 1.00 1.00 N ATOM 0 H LYS A 18 -5.121 7.116 -5.499 1.00 1.00 H new ATOM 0 HA LYS A 18 -5.063 6.785 -8.227 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -6.075 8.676 -7.122 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -4.511 9.259 -6.590 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -3.938 9.115 -9.211 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -5.679 9.232 -9.374 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -4.845 11.491 -9.440 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -5.606 11.295 -7.873 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -3.503 11.111 -6.739 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -2.631 10.771 -8.220 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -2.284 13.041 -7.500 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -3.108 13.020 -8.984 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -3.953 13.349 -7.549 1.00 1.00 H new ATOM 285 N ALA A 19 -2.136 7.885 -7.198 1.00 1.00 N ATOM 286 CA ALA A 19 -0.723 7.915 -7.535 1.00 1.00 C ATOM 287 C ALA A 19 -0.241 6.491 -7.820 1.00 1.00 C ATOM 288 O ALA A 19 0.476 6.258 -8.793 1.00 1.00 O ATOM 289 CB ALA A 19 0.058 8.578 -6.399 1.00 1.00 C ATOM 0 H ALA A 19 -2.383 8.394 -6.349 1.00 1.00 H new ATOM 0 HA ALA A 19 -0.555 8.506 -8.435 1.00 1.00 H new ATOM 0 HB1 ALA A 19 1.118 8.601 -6.651 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -0.303 9.596 -6.255 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -0.084 8.010 -5.480 1.00 1.00 H new ATOM 295 N HIS A 20 -0.654 5.576 -6.956 1.00 1.00 N ATOM 296 CA HIS A 20 -0.273 4.181 -7.103 1.00 1.00 C ATOM 297 C HIS A 20 -0.909 3.607 -8.371 1.00 1.00 C ATOM 298 O HIS A 20 -0.410 2.633 -8.933 1.00 1.00 O ATOM 299 CB HIS A 20 -0.632 3.385 -5.847 1.00 1.00 C ATOM 300 CG HIS A 20 0.409 3.456 -4.756 1.00 1.00 C ATOM 301 ND1 HIS A 20 0.422 4.452 -3.796 1.00 1.00 N ATOM 302 CD2 HIS A 20 1.472 2.644 -4.484 1.00 1.00 C ATOM 303 CE1 HIS A 20 1.450 4.240 -2.987 1.00 1.00 C ATOM 304 NE2 HIS A 20 2.100 3.120 -3.416 1.00 1.00 N ATOM 0 H HIS A 20 -1.249 5.773 -6.151 1.00 1.00 H new ATOM 0 HA HIS A 20 0.809 4.105 -7.214 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -1.580 3.753 -5.455 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -0.784 2.341 -6.122 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -0.246 5.219 -3.723 1.00 1.00 H new ATOM 0 HD2 HIS A 20 1.754 1.764 -5.043 1.00 1.00 H new ATOM 0 HE1 HIS A 20 1.725 4.847 -2.137 1.00 1.00 H new ATOM 312 N GLN A 21 -1.999 4.235 -8.785 1.00 1.00 N ATOM 313 CA GLN A 21 -2.708 3.799 -9.976 1.00 1.00 C ATOM 314 C GLN A 21 -1.997 4.306 -11.232 1.00 1.00 C ATOM 315 O GLN A 21 -2.161 3.742 -12.313 1.00 1.00 O ATOM 316 CB GLN A 21 -4.166 4.262 -9.947 1.00 1.00 C ATOM 317 CG GLN A 21 -4.981 3.445 -8.942 1.00 1.00 C ATOM 318 CD GLN A 21 -6.376 4.045 -8.751 1.00 1.00 C ATOM 319 OE1 GLN A 21 -6.562 5.049 -8.083 1.00 1.00 O ATOM 320 NE2 GLN A 21 -7.342 3.375 -9.373 1.00 1.00 N ATOM 0 H GLN A 21 -2.409 5.043 -8.317 1.00 1.00 H new ATOM 0 HA GLN A 21 -2.708 2.709 -9.997 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -4.211 5.319 -9.683 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -4.603 4.163 -10.941 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -5.068 2.416 -9.290 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -4.460 3.415 -7.985 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -7.116 2.542 -9.916 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -8.308 3.695 -9.307 1.00 1.00 H new ATOM 329 N LYS A 22 -1.221 5.364 -11.048 1.00 1.00 N ATOM 330 CA LYS A 22 -0.484 5.953 -12.153 1.00 1.00 C ATOM 331 C LYS A 22 0.975 5.499 -12.087 1.00 1.00 C ATOM 332 O LYS A 22 1.637 5.370 -13.116 1.00 1.00 O ATOM 333 CB LYS A 22 -0.655 7.474 -12.161 1.00 1.00 C ATOM 334 CG LYS A 22 -0.019 8.090 -13.409 1.00 1.00 C ATOM 335 CD LYS A 22 0.976 9.189 -13.031 1.00 1.00 C ATOM 336 CE LYS A 22 1.195 10.156 -14.196 1.00 1.00 C ATOM 337 NZ LYS A 22 2.522 9.932 -14.813 1.00 1.00 N ATOM 0 H LYS A 22 -1.087 5.829 -10.150 1.00 1.00 H new ATOM 0 HA LYS A 22 -0.884 5.605 -13.106 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -1.715 7.725 -12.127 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -0.198 7.900 -11.268 1.00 1.00 H new ATOM 0 HG2 LYS A 22 0.490 7.315 -13.982 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -0.796 8.503 -14.052 1.00 1.00 H new ATOM 0 HD2 LYS A 22 0.606 9.737 -12.164 1.00 1.00 H new ATOM 0 HD3 LYS A 22 1.927 8.740 -12.743 1.00 1.00 H new ATOM 0 HE2 LYS A 22 0.413 10.019 -14.942 1.00 1.00 H new ATOM 0 HE3 LYS A 22 1.121 11.184 -13.842 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 2.655 10.596 -15.602 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 3.266 10.086 -14.102 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 2.579 8.956 -15.169 1.00 1.00 H new ATOM 350 N ALA A 23 1.435 5.270 -10.865 1.00 1.00 N ATOM 351 CA ALA A 23 2.805 4.833 -10.651 1.00 1.00 C ATOM 352 C ALA A 23 2.943 3.372 -11.083 1.00 1.00 C ATOM 353 O ALA A 23 3.971 2.977 -11.632 1.00 1.00 O ATOM 354 CB ALA A 23 3.185 5.045 -9.185 1.00 1.00 C ATOM 0 H ALA A 23 0.884 5.379 -10.014 1.00 1.00 H new ATOM 0 HA ALA A 23 3.495 5.422 -11.255 1.00 1.00 H new ATOM 0 HB1 ALA A 23 4.212 4.717 -9.024 1.00 1.00 H new ATOM 0 HB2 ALA A 23 3.098 6.103 -8.936 1.00 1.00 H new ATOM 0 HB3 ALA A 23 2.516 4.466 -8.548 1.00 1.00 H new ATOM 360 N VAL A 24 1.892 2.608 -10.821 1.00 1.00 N ATOM 361 CA VAL A 24 1.883 1.199 -11.175 1.00 1.00 C ATOM 362 C VAL A 24 0.895 0.973 -12.321 1.00 1.00 C ATOM 363 O VAL A 24 -0.316 0.885 -12.131 1.00 1.00 O ATOM 364 CB VAL A 24 1.572 0.350 -9.941 1.00 1.00 C ATOM 365 CG1 VAL A 24 1.108 -1.051 -10.342 1.00 1.00 C ATOM 366 CG2 VAL A 24 2.780 0.281 -9.005 1.00 1.00 C ATOM 0 H VAL A 24 1.040 2.939 -10.367 1.00 1.00 H new ATOM 0 HA VAL A 24 2.867 0.887 -11.526 1.00 1.00 H new ATOM 0 HB VAL A 24 0.756 0.830 -9.401 1.00 1.00 H new ATOM 0 HG11 VAL A 24 0.894 -1.634 -9.446 1.00 1.00 H new ATOM 0 HG12 VAL A 24 0.207 -0.976 -10.950 1.00 1.00 H new ATOM 0 HG13 VAL A 24 1.893 -1.544 -10.916 1.00 1.00 H new ATOM 0 HG21 VAL A 24 2.532 -0.328 -8.136 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.624 -0.164 -9.532 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.046 1.287 -8.679 1.00 1.00 H new ATOM 376 N PRO A 25 1.447 0.878 -13.533 1.00 1.00 N ATOM 377 CA PRO A 25 0.702 0.663 -14.755 1.00 1.00 C ATOM 378 C PRO A 25 0.313 -0.804 -14.863 1.00 1.00 C ATOM 379 O PRO A 25 0.498 -1.391 -15.928 1.00 1.00 O ATOM 380 CB PRO A 25 1.663 1.058 -15.874 1.00 1.00 C ATOM 381 CG PRO A 25 3.003 0.822 -15.306 1.00 1.00 C ATOM 382 CD PRO A 25 2.867 0.976 -13.793 1.00 1.00 C ATOM 0 HA PRO A 25 -0.221 1.241 -14.797 1.00 1.00 H new ATOM 0 HB2 PRO A 25 1.499 0.458 -16.769 1.00 1.00 H new ATOM 0 HB3 PRO A 25 1.531 2.101 -16.161 1.00 1.00 H new ATOM 0 HG2 PRO A 25 3.363 -0.174 -15.564 1.00 1.00 H new ATOM 0 HG3 PRO A 25 3.724 1.535 -15.705 1.00 1.00 H new ATOM 0 HD2 PRO A 25 3.419 0.198 -13.266 1.00 1.00 H new ATOM 0 HD3 PRO A 25 3.265 1.933 -13.456 1.00 1.00 H new ATOM 390 N ASP A 26 -0.209 -1.362 -13.781 1.00 1.00 N ATOM 391 CA ASP A 26 -0.613 -2.757 -13.778 1.00 1.00 C ATOM 392 C ASP A 26 -1.469 -3.034 -12.540 1.00 1.00 C ATOM 393 O ASP A 26 -0.963 -3.514 -11.526 1.00 1.00 O ATOM 394 CB ASP A 26 0.604 -3.683 -13.728 1.00 1.00 C ATOM 395 CG ASP A 26 1.816 -3.200 -14.526 1.00 1.00 C ATOM 396 OD1 ASP A 26 2.593 -2.354 -14.058 1.00 1.00 O ATOM 397 OD2 ASP A 26 1.951 -3.737 -15.691 1.00 1.00 O ATOM 0 H ASP A 26 -0.362 -0.872 -12.899 1.00 1.00 H new ATOM 0 HA ASP A 26 -1.174 -2.947 -14.693 1.00 1.00 H new ATOM 0 HB2 ASP A 26 0.901 -3.812 -12.687 1.00 1.00 H new ATOM 0 HB3 ASP A 26 0.311 -4.665 -14.100 1.00 1.00 H new ATOM 403 N CYS A 27 -2.750 -2.720 -12.663 1.00 1.00 N ATOM 404 CA CYS A 27 -3.680 -2.928 -11.566 1.00 1.00 C ATOM 405 C CYS A 27 -3.891 -4.434 -11.395 1.00 1.00 C ATOM 406 O CYS A 27 -5.006 -4.930 -11.552 1.00 1.00 O ATOM 407 CB CYS A 27 -5.001 -2.190 -11.796 1.00 1.00 C ATOM 408 SG CYS A 27 -4.852 -0.627 -12.736 1.00 1.00 S ATOM 0 H CYS A 27 -3.166 -2.323 -13.506 1.00 1.00 H new ATOM 0 HA CYS A 27 -3.263 -2.513 -10.649 1.00 1.00 H new ATOM 0 HB2 CYS A 27 -5.684 -2.853 -12.327 1.00 1.00 H new ATOM 0 HB3 CYS A 27 -5.454 -1.974 -10.828 1.00 1.00 H new ATOM 413 N LYS A 28 -2.803 -5.119 -11.076 1.00 1.00 N ATOM 414 CA LYS A 28 -2.854 -6.558 -10.882 1.00 1.00 C ATOM 415 C LYS A 28 -1.918 -6.948 -9.736 1.00 1.00 C ATOM 416 O LYS A 28 -2.319 -7.658 -8.816 1.00 1.00 O ATOM 417 CB LYS A 28 -2.557 -7.287 -12.194 1.00 1.00 C ATOM 418 CG LYS A 28 -1.597 -6.475 -13.067 1.00 1.00 C ATOM 419 CD LYS A 28 -1.337 -7.182 -14.399 1.00 1.00 C ATOM 420 CE LYS A 28 -1.206 -6.170 -15.539 1.00 1.00 C ATOM 421 NZ LYS A 28 0.118 -6.293 -16.190 1.00 1.00 N ATOM 0 H LYS A 28 -1.880 -4.704 -10.947 1.00 1.00 H new ATOM 0 HA LYS A 28 -3.858 -6.867 -10.593 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -2.123 -8.264 -11.981 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -3.487 -7.462 -12.735 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -2.016 -5.486 -13.252 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -0.655 -6.329 -12.539 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -0.426 -7.776 -14.328 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -2.152 -7.873 -14.613 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -1.995 -6.335 -16.272 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -1.336 -5.159 -15.153 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 0.636 -5.396 -16.095 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 0.659 -7.056 -15.735 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -0.010 -6.513 -17.198 1.00 1.00 H new ATOM 434 N LYS A 29 -0.687 -6.465 -9.830 1.00 1.00 N ATOM 435 CA LYS A 29 0.310 -6.754 -8.813 1.00 1.00 C ATOM 436 C LYS A 29 -0.250 -6.384 -7.438 1.00 1.00 C ATOM 437 O LYS A 29 0.229 -6.875 -6.417 1.00 1.00 O ATOM 438 CB LYS A 29 1.632 -6.060 -9.147 1.00 1.00 C ATOM 439 CG LYS A 29 2.604 -6.137 -7.968 1.00 1.00 C ATOM 440 CD LYS A 29 3.206 -7.538 -7.845 1.00 1.00 C ATOM 441 CE LYS A 29 4.701 -7.467 -7.528 1.00 1.00 C ATOM 442 NZ LYS A 29 5.464 -8.370 -8.419 1.00 1.00 N ATOM 0 H LYS A 29 -0.358 -5.876 -10.595 1.00 1.00 H new ATOM 0 HA LYS A 29 0.534 -7.820 -8.790 1.00 1.00 H new ATOM 0 HB2 LYS A 29 2.081 -6.527 -10.024 1.00 1.00 H new ATOM 0 HB3 LYS A 29 1.445 -5.017 -9.402 1.00 1.00 H new ATOM 0 HG2 LYS A 29 3.401 -5.405 -8.101 1.00 1.00 H new ATOM 0 HG3 LYS A 29 2.084 -5.878 -7.046 1.00 1.00 H new ATOM 0 HD2 LYS A 29 2.690 -8.092 -7.060 1.00 1.00 H new ATOM 0 HD3 LYS A 29 3.053 -8.086 -8.775 1.00 1.00 H new ATOM 0 HE2 LYS A 29 5.056 -6.443 -7.648 1.00 1.00 H new ATOM 0 HE3 LYS A 29 4.872 -7.744 -6.488 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 6.477 -8.309 -8.190 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 5.137 -9.348 -8.285 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 5.315 -8.088 -9.409 1.00 1.00 H new ATOM 455 N CYS A 30 -1.255 -5.522 -7.456 1.00 1.00 N ATOM 456 CA CYS A 30 -1.884 -5.080 -6.222 1.00 1.00 C ATOM 457 C CYS A 30 -3.256 -5.750 -6.117 1.00 1.00 C ATOM 458 O CYS A 30 -3.726 -6.041 -5.017 1.00 1.00 O ATOM 459 CB CYS A 30 -1.987 -3.555 -6.154 1.00 1.00 C ATOM 460 SG CYS A 30 -0.732 -2.895 -4.998 1.00 1.00 S ATOM 0 H CYS A 30 -1.650 -5.117 -8.305 1.00 1.00 H new ATOM 0 HA CYS A 30 -1.270 -5.375 -5.371 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -1.840 -3.128 -7.146 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -2.985 -3.264 -5.826 1.00 1.00 H new ATOM 465 N HIS A 31 -3.859 -5.976 -7.274 1.00 1.00 N ATOM 466 CA HIS A 31 -5.168 -6.606 -7.326 1.00 1.00 C ATOM 467 C HIS A 31 -5.044 -7.994 -7.958 1.00 1.00 C ATOM 468 O HIS A 31 -4.786 -8.115 -9.154 1.00 1.00 O ATOM 469 CB HIS A 31 -6.174 -5.711 -8.052 1.00 1.00 C ATOM 470 CG HIS A 31 -6.538 -4.457 -7.295 1.00 1.00 C ATOM 471 ND1 HIS A 31 -7.312 -4.472 -6.148 1.00 1.00 N ATOM 472 CD2 HIS A 31 -6.227 -3.150 -7.532 1.00 1.00 C ATOM 473 CE1 HIS A 31 -7.454 -3.225 -5.722 1.00 1.00 C ATOM 474 NE2 HIS A 31 -6.781 -2.407 -6.582 1.00 1.00 N ATOM 0 H HIS A 31 -3.466 -5.734 -8.184 1.00 1.00 H new ATOM 0 HA HIS A 31 -5.553 -6.738 -6.315 1.00 1.00 H new ATOM 0 HB2 HIS A 31 -5.762 -5.431 -9.022 1.00 1.00 H new ATOM 0 HB3 HIS A 31 -7.081 -6.283 -8.244 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -7.706 -5.302 -5.705 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -5.631 -2.782 -8.354 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -8.005 -2.912 -4.848 1.00 1.00 H new ATOM 482 N GLU A 32 -5.235 -9.007 -7.125 1.00 1.00 N ATOM 483 CA GLU A 32 -5.149 -10.382 -7.588 1.00 1.00 C ATOM 484 C GLU A 32 -6.422 -10.769 -8.343 1.00 1.00 C ATOM 485 O GLU A 32 -6.573 -10.443 -9.520 1.00 1.00 O ATOM 486 CB GLU A 32 -4.892 -11.338 -6.421 1.00 1.00 C ATOM 487 CG GLU A 32 -3.476 -11.161 -5.869 1.00 1.00 C ATOM 488 CD GLU A 32 -3.504 -10.521 -4.480 1.00 1.00 C ATOM 489 OE1 GLU A 32 -4.439 -10.767 -3.703 1.00 1.00 O ATOM 490 OE2 GLU A 32 -2.509 -9.743 -4.218 1.00 1.00 O ATOM 0 H GLU A 32 -5.449 -8.903 -6.133 1.00 1.00 H new ATOM 0 HA GLU A 32 -4.305 -10.462 -8.273 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -5.620 -11.156 -5.630 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -5.031 -12.367 -6.752 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -2.979 -12.130 -5.817 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -2.892 -10.539 -6.548 1.00 1.00 H new ATOM 498 N LYS A 33 -7.304 -11.460 -7.637 1.00 1.00 N ATOM 499 CA LYS A 33 -8.559 -11.895 -8.226 1.00 1.00 C ATOM 500 C LYS A 33 -9.100 -10.790 -9.136 1.00 1.00 C ATOM 501 O LYS A 33 -9.779 -11.071 -10.123 1.00 1.00 O ATOM 502 CB LYS A 33 -9.541 -12.329 -7.136 1.00 1.00 C ATOM 503 CG LYS A 33 -9.254 -13.760 -6.678 1.00 1.00 C ATOM 504 CD LYS A 33 -10.508 -14.631 -6.784 1.00 1.00 C ATOM 505 CE LYS A 33 -10.139 -16.111 -6.901 1.00 1.00 C ATOM 506 NZ LYS A 33 -9.555 -16.396 -8.231 1.00 1.00 N ATOM 0 H LYS A 33 -7.175 -11.730 -6.662 1.00 1.00 H new ATOM 0 HA LYS A 33 -8.402 -12.775 -8.850 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -9.470 -11.650 -6.286 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -10.561 -12.262 -7.513 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -8.457 -14.188 -7.287 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -8.899 -13.752 -5.648 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -11.137 -14.478 -5.907 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -11.093 -14.329 -7.653 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -9.427 -16.377 -6.120 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -11.026 -16.726 -6.747 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -9.653 -17.409 -8.443 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -10.054 -15.841 -8.955 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -8.547 -16.139 -8.230 1.00 1.00 H new ATOM 519 N GLY A 34 -8.778 -9.557 -8.773 1.00 1.00 N ATOM 520 CA GLY A 34 -9.224 -8.410 -9.545 1.00 1.00 C ATOM 521 C GLY A 34 -9.262 -7.148 -8.679 1.00 1.00 C ATOM 522 O GLY A 34 -8.958 -7.165 -7.489 1.00 1.00 O ATOM 0 H GLY A 34 -8.214 -9.328 -7.955 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -8.555 -8.255 -10.392 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -10.216 -8.605 -9.954 1.00 1.00 H new ATOM 526 N PRO A 35 -9.648 -6.040 -9.314 1.00 1.00 N ATOM 527 CA PRO A 35 -9.758 -4.738 -8.691 1.00 1.00 C ATOM 528 C PRO A 35 -10.823 -4.781 -7.604 1.00 1.00 C ATOM 529 O PRO A 35 -11.955 -5.161 -7.897 1.00 1.00 O ATOM 530 CB PRO A 35 -10.166 -3.796 -9.821 1.00 1.00 C ATOM 531 CG PRO A 35 -10.864 -4.725 -10.850 1.00 1.00 C ATOM 532 CD PRO A 35 -10.013 -5.985 -10.713 1.00 1.00 C ATOM 0 HA PRO A 35 -8.832 -4.415 -8.216 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -10.839 -3.016 -9.467 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -9.301 -3.297 -10.257 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -11.911 -4.903 -10.604 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -10.839 -4.316 -11.860 1.00 1.00 H new ATOM 0 HD2 PRO A 35 -10.571 -6.873 -11.010 1.00 1.00 H new ATOM 0 HD3 PRO A 35 -9.130 -5.936 -11.350 1.00 1.00 H new ATOM 540 N GLY A 36 -10.450 -4.398 -6.392 1.00 1.00 N ATOM 541 CA GLY A 36 -11.389 -4.403 -5.284 1.00 1.00 C ATOM 542 C GLY A 36 -10.715 -4.880 -3.996 1.00 1.00 C ATOM 543 O GLY A 36 -9.516 -4.680 -3.807 1.00 1.00 O ATOM 0 H GLY A 36 -9.510 -4.082 -6.153 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -11.791 -3.400 -5.139 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -12.232 -5.053 -5.520 1.00 1.00 H new ATOM 547 N LYS A 37 -11.516 -5.503 -3.142 1.00 1.00 N ATOM 548 CA LYS A 37 -11.012 -6.010 -1.878 1.00 1.00 C ATOM 549 C LYS A 37 -9.961 -7.089 -2.148 1.00 1.00 C ATOM 550 O LYS A 37 -10.054 -7.819 -3.134 1.00 1.00 O ATOM 551 CB LYS A 37 -12.166 -6.485 -0.993 1.00 1.00 C ATOM 552 CG LYS A 37 -12.582 -7.912 -1.352 1.00 1.00 C ATOM 553 CD LYS A 37 -13.575 -8.468 -0.330 1.00 1.00 C ATOM 554 CE LYS A 37 -14.843 -8.978 -1.019 1.00 1.00 C ATOM 555 NZ LYS A 37 -15.900 -9.254 -0.020 1.00 1.00 N ATOM 0 H LYS A 37 -12.510 -5.667 -3.302 1.00 1.00 H new ATOM 0 HA LYS A 37 -10.518 -5.215 -1.319 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -11.867 -6.442 0.054 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -13.017 -5.814 -1.109 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -13.032 -7.924 -2.345 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -11.701 -8.552 -1.393 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -13.110 -9.279 0.230 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -13.835 -7.692 0.390 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -15.197 -8.238 -1.737 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -14.619 -9.885 -1.581 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -16.753 -9.599 -0.504 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -15.565 -9.976 0.649 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -16.125 -8.381 0.498 1.00 1.00 H new ATOM 568 N ILE A 38 -8.984 -7.156 -1.255 1.00 1.00 N ATOM 569 CA ILE A 38 -7.917 -8.133 -1.386 1.00 1.00 C ATOM 570 C ILE A 38 -8.021 -9.150 -0.247 1.00 1.00 C ATOM 571 O ILE A 38 -8.123 -8.773 0.919 1.00 1.00 O ATOM 572 CB ILE A 38 -6.558 -7.435 -1.465 1.00 1.00 C ATOM 573 CG1 ILE A 38 -6.582 -6.304 -2.495 1.00 1.00 C ATOM 574 CG2 ILE A 38 -5.440 -8.442 -1.745 1.00 1.00 C ATOM 575 CD1 ILE A 38 -5.370 -5.386 -2.330 1.00 1.00 C ATOM 0 H ILE A 38 -8.909 -6.550 -0.438 1.00 1.00 H new ATOM 0 HA ILE A 38 -8.019 -8.687 -2.319 1.00 1.00 H new ATOM 0 HB ILE A 38 -6.349 -6.983 -0.495 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -6.590 -6.724 -3.501 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -7.499 -5.725 -2.383 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -4.485 -7.920 -1.796 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.407 -9.181 -0.945 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.631 -8.943 -2.694 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -5.412 -4.591 -3.074 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.378 -4.949 -1.331 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.455 -5.963 -2.466 1.00 1.00 H new ATOM 587 N GLU A 39 -7.989 -10.419 -0.625 1.00 1.00 N ATOM 588 CA GLU A 39 -8.078 -11.493 0.350 1.00 1.00 C ATOM 589 C GLU A 39 -6.679 -11.976 0.737 1.00 1.00 C ATOM 590 O GLU A 39 -5.960 -12.532 -0.091 1.00 1.00 O ATOM 591 CB GLU A 39 -8.930 -12.648 -0.182 1.00 1.00 C ATOM 592 CG GLU A 39 -9.836 -13.211 0.914 1.00 1.00 C ATOM 593 CD GLU A 39 -9.467 -14.660 1.241 1.00 1.00 C ATOM 594 OE1 GLU A 39 -10.285 -15.569 1.038 1.00 1.00 O ATOM 595 OE2 GLU A 39 -8.282 -14.825 1.722 1.00 1.00 O ATOM 0 H GLU A 39 -7.903 -10.728 -1.593 1.00 1.00 H new ATOM 0 HA GLU A 39 -8.567 -11.106 1.244 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -9.537 -12.302 -1.018 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -8.282 -13.437 -0.564 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -9.750 -12.599 1.812 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -10.876 -13.161 0.592 1.00 1.00 H new ATOM 603 N GLY A 40 -6.335 -11.746 1.996 1.00 1.00 N ATOM 604 CA GLY A 40 -5.035 -12.151 2.503 1.00 1.00 C ATOM 605 C GLY A 40 -4.291 -10.962 3.114 1.00 1.00 C ATOM 606 O GLY A 40 -3.635 -11.100 4.146 1.00 1.00 O ATOM 0 H GLY A 40 -6.934 -11.284 2.680 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -5.160 -12.931 3.254 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -4.442 -12.579 1.694 1.00 1.00 H new ATOM 610 N PHE A 41 -4.417 -9.822 2.452 1.00 1.00 N ATOM 611 CA PHE A 41 -3.764 -8.610 2.917 1.00 1.00 C ATOM 612 C PHE A 41 -4.455 -8.061 4.168 1.00 1.00 C ATOM 613 O PHE A 41 -5.668 -8.191 4.319 1.00 1.00 O ATOM 614 CB PHE A 41 -3.879 -7.580 1.792 1.00 1.00 C ATOM 615 CG PHE A 41 -3.175 -6.254 2.089 1.00 1.00 C ATOM 616 CD1 PHE A 41 -3.674 -5.417 3.038 1.00 1.00 C ATOM 617 CD2 PHE A 41 -2.052 -5.911 1.403 1.00 1.00 C ATOM 618 CE1 PHE A 41 -3.022 -4.186 3.313 1.00 1.00 C ATOM 619 CE2 PHE A 41 -1.399 -4.681 1.678 1.00 1.00 C ATOM 620 CZ PHE A 41 -1.898 -3.844 2.627 1.00 1.00 C ATOM 0 H PHE A 41 -4.962 -9.712 1.597 1.00 1.00 H new ATOM 0 HA PHE A 41 -2.725 -8.821 3.171 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -3.461 -8.005 0.880 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -4.934 -7.384 1.598 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -4.566 -5.689 3.582 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -1.657 -6.575 0.648 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -3.418 -3.521 4.066 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -0.506 -4.410 1.134 1.00 1.00 H new ATOM 0 HZ PHE A 41 -1.402 -2.908 2.836 1.00 1.00 H new ATOM 630 N GLY A 42 -3.651 -7.458 5.032 1.00 1.00 N ATOM 631 CA GLY A 42 -4.170 -6.889 6.264 1.00 1.00 C ATOM 632 C GLY A 42 -3.062 -6.186 7.052 1.00 1.00 C ATOM 633 O GLY A 42 -3.302 -5.158 7.683 1.00 1.00 O ATOM 0 H GLY A 42 -2.645 -7.351 4.903 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -4.965 -6.179 6.035 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -4.612 -7.676 6.875 1.00 1.00 H new ATOM 637 N LYS A 43 -1.874 -6.768 6.989 1.00 1.00 N ATOM 638 CA LYS A 43 -0.729 -6.210 7.688 1.00 1.00 C ATOM 639 C LYS A 43 0.558 -6.741 7.055 1.00 1.00 C ATOM 640 O LYS A 43 1.187 -6.056 6.249 1.00 1.00 O ATOM 641 CB LYS A 43 -0.833 -6.484 9.190 1.00 1.00 C ATOM 642 CG LYS A 43 -0.002 -5.478 9.989 1.00 1.00 C ATOM 643 CD LYS A 43 0.570 -6.122 11.254 1.00 1.00 C ATOM 644 CE LYS A 43 -0.461 -6.119 12.384 1.00 1.00 C ATOM 645 NZ LYS A 43 -0.878 -7.501 12.709 1.00 1.00 N ATOM 0 H LYS A 43 -1.679 -7.621 6.464 1.00 1.00 H new ATOM 0 HA LYS A 43 -0.712 -5.125 7.585 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -1.876 -6.429 9.502 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -0.489 -7.496 9.403 1.00 1.00 H new ATOM 0 HG2 LYS A 43 0.811 -5.099 9.370 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -0.621 -4.623 10.260 1.00 1.00 H new ATOM 0 HD2 LYS A 43 0.876 -7.146 11.039 1.00 1.00 H new ATOM 0 HD3 LYS A 43 1.463 -5.582 11.570 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -0.038 -5.643 13.269 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -1.330 -5.530 12.090 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -1.578 -7.481 13.478 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -1.301 -7.943 11.868 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -0.049 -8.052 13.010 1.00 1.00 H new ATOM 658 N GLU A 44 0.913 -7.958 7.443 1.00 1.00 N ATOM 659 CA GLU A 44 2.114 -8.589 6.923 1.00 1.00 C ATOM 660 C GLU A 44 2.294 -8.248 5.442 1.00 1.00 C ATOM 661 O GLU A 44 3.347 -7.757 5.038 1.00 1.00 O ATOM 662 CB GLU A 44 2.075 -10.103 7.136 1.00 1.00 C ATOM 663 CG GLU A 44 2.681 -10.482 8.489 1.00 1.00 C ATOM 664 CD GLU A 44 2.527 -9.342 9.497 1.00 1.00 C ATOM 665 OE1 GLU A 44 1.405 -9.050 9.938 1.00 1.00 O ATOM 666 OE2 GLU A 44 3.626 -8.749 9.822 1.00 1.00 O ATOM 0 H GLU A 44 0.390 -8.523 8.111 1.00 1.00 H new ATOM 0 HA GLU A 44 2.972 -8.200 7.472 1.00 1.00 H new ATOM 0 HB2 GLU A 44 1.045 -10.455 7.084 1.00 1.00 H new ATOM 0 HB3 GLU A 44 2.623 -10.601 6.336 1.00 1.00 H new ATOM 0 HG2 GLU A 44 2.194 -11.379 8.871 1.00 1.00 H new ATOM 0 HG3 GLU A 44 3.737 -10.722 8.364 1.00 1.00 H new ATOM 674 N MET A 45 1.250 -8.522 4.674 1.00 1.00 N ATOM 675 CA MET A 45 1.280 -8.251 3.246 1.00 1.00 C ATOM 676 C MET A 45 1.876 -6.871 2.963 1.00 1.00 C ATOM 677 O MET A 45 2.722 -6.725 2.081 1.00 1.00 O ATOM 678 CB MET A 45 -0.141 -8.318 2.684 1.00 1.00 C ATOM 679 CG MET A 45 -0.604 -9.769 2.535 1.00 1.00 C ATOM 680 SD MET A 45 -1.619 -9.940 1.077 1.00 1.00 S ATOM 681 CE MET A 45 -0.890 -11.403 0.361 1.00 1.00 C ATOM 0 H MET A 45 0.378 -8.929 5.013 1.00 1.00 H new ATOM 0 HA MET A 45 1.906 -9.003 2.765 1.00 1.00 H new ATOM 0 HB2 MET A 45 -0.823 -7.781 3.344 1.00 1.00 H new ATOM 0 HB3 MET A 45 -0.177 -7.820 1.715 1.00 1.00 H new ATOM 0 HG2 MET A 45 0.260 -10.430 2.466 1.00 1.00 H new ATOM 0 HG3 MET A 45 -1.167 -10.072 3.418 1.00 1.00 H new ATOM 0 HE1 MET A 45 -1.409 -11.652 -0.565 1.00 1.00 H new ATOM 0 HE2 MET A 45 0.163 -11.218 0.148 1.00 1.00 H new ATOM 0 HE3 MET A 45 -0.978 -12.233 1.061 1.00 1.00 H new ATOM 691 N ALA A 46 1.412 -5.893 3.726 1.00 1.00 N ATOM 692 CA ALA A 46 1.889 -4.529 3.568 1.00 1.00 C ATOM 693 C ALA A 46 3.371 -4.465 3.944 1.00 1.00 C ATOM 694 O ALA A 46 4.203 -4.057 3.134 1.00 1.00 O ATOM 695 CB ALA A 46 1.032 -3.587 4.416 1.00 1.00 C ATOM 0 H ALA A 46 0.710 -6.017 4.456 1.00 1.00 H new ATOM 0 HA ALA A 46 1.797 -4.208 2.530 1.00 1.00 H new ATOM 0 HB1 ALA A 46 1.390 -2.564 4.298 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -0.007 -3.648 4.091 1.00 1.00 H new ATOM 0 HB3 ALA A 46 1.102 -3.877 5.465 1.00 1.00 H new ATOM 701 N HIS A 47 3.656 -4.874 5.171 1.00 1.00 N ATOM 702 CA HIS A 47 5.023 -4.869 5.663 1.00 1.00 C ATOM 703 C HIS A 47 5.904 -5.716 4.743 1.00 1.00 C ATOM 704 O HIS A 47 7.129 -5.606 4.775 1.00 1.00 O ATOM 705 CB HIS A 47 5.077 -5.327 7.122 1.00 1.00 C ATOM 706 CG HIS A 47 4.292 -4.452 8.070 1.00 1.00 C ATOM 707 ND1 HIS A 47 3.481 -4.966 9.066 1.00 1.00 N ATOM 708 CD2 HIS A 47 4.204 -3.094 8.163 1.00 1.00 C ATOM 709 CE1 HIS A 47 2.933 -3.954 9.723 1.00 1.00 C ATOM 710 NE2 HIS A 47 3.382 -2.795 9.162 1.00 1.00 N ATOM 0 H HIS A 47 2.963 -5.211 5.840 1.00 1.00 H new ATOM 0 HA HIS A 47 5.415 -3.852 5.647 1.00 1.00 H new ATOM 0 HB2 HIS A 47 4.697 -6.347 7.186 1.00 1.00 H new ATOM 0 HB3 HIS A 47 6.118 -5.353 7.446 1.00 1.00 H new ATOM 0 HD1 HIS A 47 3.330 -5.956 9.261 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.716 -2.383 7.532 1.00 1.00 H new ATOM 0 HE1 HIS A 47 2.251 -4.033 10.556 1.00 1.00 H new ATOM 718 N GLY A 48 5.246 -6.543 3.944 1.00 1.00 N ATOM 719 CA GLY A 48 5.953 -7.409 3.016 1.00 1.00 C ATOM 720 C GLY A 48 5.344 -7.325 1.615 1.00 1.00 C ATOM 721 O GLY A 48 4.990 -6.242 1.152 1.00 1.00 O ATOM 0 H GLY A 48 4.230 -6.632 3.920 1.00 1.00 H new ATOM 0 HA2 GLY A 48 7.005 -7.125 2.977 1.00 1.00 H new ATOM 0 HA3 GLY A 48 5.914 -8.438 3.372 1.00 1.00 H new ATOM 725 N LYS A 49 5.240 -8.483 0.979 1.00 1.00 N ATOM 726 CA LYS A 49 4.680 -8.555 -0.359 1.00 1.00 C ATOM 727 C LYS A 49 3.258 -7.991 -0.343 1.00 1.00 C ATOM 728 O LYS A 49 2.291 -8.740 -0.217 1.00 1.00 O ATOM 729 CB LYS A 49 4.769 -9.983 -0.902 1.00 1.00 C ATOM 730 CG LYS A 49 5.466 -10.009 -2.264 1.00 1.00 C ATOM 731 CD LYS A 49 6.955 -10.326 -2.113 1.00 1.00 C ATOM 732 CE LYS A 49 7.649 -10.362 -3.476 1.00 1.00 C ATOM 733 NZ LYS A 49 8.456 -9.138 -3.679 1.00 1.00 N ATOM 0 H LYS A 49 5.535 -9.379 1.366 1.00 1.00 H new ATOM 0 HA LYS A 49 5.260 -7.940 -1.048 1.00 1.00 H new ATOM 0 HB2 LYS A 49 5.315 -10.610 -0.198 1.00 1.00 H new ATOM 0 HB3 LYS A 49 3.768 -10.404 -0.994 1.00 1.00 H new ATOM 0 HG2 LYS A 49 4.995 -10.756 -2.903 1.00 1.00 H new ATOM 0 HG3 LYS A 49 5.344 -9.045 -2.757 1.00 1.00 H new ATOM 0 HD2 LYS A 49 7.428 -9.575 -1.480 1.00 1.00 H new ATOM 0 HD3 LYS A 49 7.077 -11.287 -1.613 1.00 1.00 H new ATOM 0 HE2 LYS A 49 8.289 -11.242 -3.542 1.00 1.00 H new ATOM 0 HE3 LYS A 49 6.905 -10.449 -4.268 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 8.920 -9.179 -4.609 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 7.837 -8.303 -3.637 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 9.178 -9.071 -2.934 1.00 1.00 H new ATOM 746 N GLY A 50 3.176 -6.674 -0.473 1.00 1.00 N ATOM 747 CA GLY A 50 1.889 -6.002 -0.475 1.00 1.00 C ATOM 748 C GLY A 50 2.062 -4.486 -0.597 1.00 1.00 C ATOM 749 O GLY A 50 1.341 -3.834 -1.350 1.00 1.00 O ATOM 0 H GLY A 50 3.980 -6.056 -0.578 1.00 1.00 H new ATOM 0 HA2 GLY A 50 1.284 -6.370 -1.303 1.00 1.00 H new ATOM 0 HA3 GLY A 50 1.350 -6.237 0.443 1.00 1.00 H new ATOM 753 N CYS A 51 3.023 -3.970 0.156 1.00 1.00 N ATOM 754 CA CYS A 51 3.300 -2.544 0.142 1.00 1.00 C ATOM 755 C CYS A 51 4.815 -2.348 0.226 1.00 1.00 C ATOM 756 O CYS A 51 5.409 -1.696 -0.632 1.00 1.00 O ATOM 757 CB CYS A 51 2.567 -1.814 1.269 1.00 1.00 C ATOM 758 SG CYS A 51 0.773 -2.161 1.370 1.00 1.00 S ATOM 0 H CYS A 51 3.619 -4.514 0.779 1.00 1.00 H new ATOM 0 HA CYS A 51 2.929 -2.108 -0.786 1.00 1.00 H new ATOM 0 HB2 CYS A 51 3.029 -2.084 2.219 1.00 1.00 H new ATOM 0 HB3 CYS A 51 2.708 -0.741 1.140 1.00 1.00 H new ATOM 763 N LYS A 52 5.398 -2.926 1.266 1.00 1.00 N ATOM 764 CA LYS A 52 6.832 -2.823 1.472 1.00 1.00 C ATOM 765 C LYS A 52 7.557 -3.644 0.404 1.00 1.00 C ATOM 766 O LYS A 52 8.451 -3.137 -0.273 1.00 1.00 O ATOM 767 CB LYS A 52 7.197 -3.220 2.904 1.00 1.00 C ATOM 768 CG LYS A 52 7.761 -2.026 3.677 1.00 1.00 C ATOM 769 CD LYS A 52 8.916 -2.456 4.584 1.00 1.00 C ATOM 770 CE LYS A 52 10.167 -2.780 3.763 1.00 1.00 C ATOM 771 NZ LYS A 52 11.041 -3.720 4.499 1.00 1.00 N ATOM 0 H LYS A 52 4.903 -3.467 1.975 1.00 1.00 H new ATOM 0 HA LYS A 52 7.160 -1.790 1.358 1.00 1.00 H new ATOM 0 HB2 LYS A 52 6.314 -3.604 3.415 1.00 1.00 H new ATOM 0 HB3 LYS A 52 7.931 -4.026 2.886 1.00 1.00 H new ATOM 0 HG2 LYS A 52 8.107 -1.266 2.977 1.00 1.00 H new ATOM 0 HG3 LYS A 52 6.973 -1.571 4.277 1.00 1.00 H new ATOM 0 HD2 LYS A 52 9.140 -1.661 5.296 1.00 1.00 H new ATOM 0 HD3 LYS A 52 8.621 -3.330 5.165 1.00 1.00 H new ATOM 0 HE2 LYS A 52 9.879 -3.216 2.806 1.00 1.00 H new ATOM 0 HE3 LYS A 52 10.713 -1.862 3.544 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 11.885 -3.929 3.928 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 11.331 -3.291 5.401 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 10.523 -4.602 4.686 1.00 1.00 H new ATOM 784 N GLY A 53 7.145 -4.898 0.285 1.00 1.00 N ATOM 785 CA GLY A 53 7.744 -5.793 -0.691 1.00 1.00 C ATOM 786 C GLY A 53 8.070 -5.051 -1.988 1.00 1.00 C ATOM 787 O GLY A 53 9.172 -5.179 -2.520 1.00 1.00 O ATOM 0 H GLY A 53 6.404 -5.315 0.848 1.00 1.00 H new ATOM 0 HA2 GLY A 53 8.654 -6.229 -0.279 1.00 1.00 H new ATOM 0 HA3 GLY A 53 7.062 -6.617 -0.901 1.00 1.00 H new ATOM 791 N CYS A 54 7.093 -4.291 -2.460 1.00 1.00 N ATOM 792 CA CYS A 54 7.263 -3.529 -3.685 1.00 1.00 C ATOM 793 C CYS A 54 8.167 -2.332 -3.385 1.00 1.00 C ATOM 794 O CYS A 54 9.033 -1.987 -4.187 1.00 1.00 O ATOM 795 CB CYS A 54 5.918 -3.095 -4.272 1.00 1.00 C ATOM 796 SG CYS A 54 6.166 -2.365 -5.932 1.00 1.00 S ATOM 0 H CYS A 54 6.181 -4.187 -2.016 1.00 1.00 H new ATOM 0 HA CYS A 54 7.732 -4.156 -4.444 1.00 1.00 H new ATOM 0 HB2 CYS A 54 5.248 -3.952 -4.339 1.00 1.00 H new ATOM 0 HB3 CYS A 54 5.442 -2.368 -3.614 1.00 1.00 H new ATOM 801 N HIS A 55 7.936 -1.732 -2.227 1.00 1.00 N ATOM 802 CA HIS A 55 8.719 -0.581 -1.810 1.00 1.00 C ATOM 803 C HIS A 55 10.193 -0.975 -1.704 1.00 1.00 C ATOM 804 O HIS A 55 11.069 -0.245 -2.167 1.00 1.00 O ATOM 805 CB HIS A 55 8.168 0.010 -0.511 1.00 1.00 C ATOM 806 CG HIS A 55 6.790 0.612 -0.646 1.00 1.00 C ATOM 807 ND1 HIS A 55 5.963 0.843 0.440 1.00 1.00 N ATOM 808 CD2 HIS A 55 6.103 1.030 -1.748 1.00 1.00 C ATOM 809 CE1 HIS A 55 4.832 1.375 -0.001 1.00 1.00 C ATOM 810 NE2 HIS A 55 4.921 1.489 -1.357 1.00 1.00 N ATOM 0 H HIS A 55 7.217 -2.021 -1.564 1.00 1.00 H new ATOM 0 HA HIS A 55 8.642 0.206 -2.560 1.00 1.00 H new ATOM 0 HB2 HIS A 55 8.139 -0.772 0.248 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.855 0.777 -0.153 1.00 1.00 H new ATOM 0 HD1 HIS A 55 6.186 0.639 1.414 1.00 1.00 H new ATOM 0 HD2 HIS A 55 6.461 0.993 -2.766 1.00 1.00 H new ATOM 0 HE1 HIS A 55 3.988 1.667 0.607 1.00 1.00 H new ATOM 818 N GLU A 56 10.422 -2.127 -1.092 1.00 1.00 N ATOM 819 CA GLU A 56 11.776 -2.627 -0.919 1.00 1.00 C ATOM 820 C GLU A 56 12.268 -3.284 -2.210 1.00 1.00 C ATOM 821 O GLU A 56 13.471 -3.352 -2.457 1.00 1.00 O ATOM 822 CB GLU A 56 11.854 -3.602 0.257 1.00 1.00 C ATOM 823 CG GLU A 56 10.650 -4.545 0.268 1.00 1.00 C ATOM 824 CD GLU A 56 11.070 -5.966 0.650 1.00 1.00 C ATOM 825 OE1 GLU A 56 11.108 -6.855 -0.213 1.00 1.00 O ATOM 826 OE2 GLU A 56 11.366 -6.131 1.895 1.00 1.00 O ATOM 0 H GLU A 56 9.693 -2.729 -0.709 1.00 1.00 H new ATOM 0 HA GLU A 56 12.428 -1.783 -0.693 1.00 1.00 H new ATOM 0 HB2 GLU A 56 12.774 -4.182 0.192 1.00 1.00 H new ATOM 0 HB3 GLU A 56 11.893 -3.046 1.193 1.00 1.00 H new ATOM 0 HG2 GLU A 56 9.904 -4.180 0.974 1.00 1.00 H new ATOM 0 HG3 GLU A 56 10.181 -4.553 -0.716 1.00 1.00 H new ATOM 834 N GLU A 57 11.312 -3.751 -3.000 1.00 1.00 N ATOM 835 CA GLU A 57 11.633 -4.401 -4.260 1.00 1.00 C ATOM 836 C GLU A 57 11.933 -3.355 -5.335 1.00 1.00 C ATOM 837 O GLU A 57 12.764 -3.583 -6.213 1.00 1.00 O ATOM 838 CB GLU A 57 10.501 -5.331 -4.701 1.00 1.00 C ATOM 839 CG GLU A 57 10.736 -5.844 -6.123 1.00 1.00 C ATOM 840 CD GLU A 57 11.942 -6.785 -6.174 1.00 1.00 C ATOM 841 OE1 GLU A 57 11.837 -7.950 -5.762 1.00 1.00 O ATOM 842 OE2 GLU A 57 13.017 -6.267 -6.663 1.00 1.00 O ATOM 0 H GLU A 57 10.315 -3.692 -2.792 1.00 1.00 H new ATOM 0 HA GLU A 57 12.525 -5.011 -4.115 1.00 1.00 H new ATOM 0 HB2 GLU A 57 10.429 -6.174 -4.014 1.00 1.00 H new ATOM 0 HB3 GLU A 57 9.550 -4.800 -4.655 1.00 1.00 H new ATOM 0 HG2 GLU A 57 9.847 -6.367 -6.476 1.00 1.00 H new ATOM 0 HG3 GLU A 57 10.899 -5.002 -6.795 1.00 1.00 H new ATOM 850 N MET A 58 11.241 -2.229 -5.230 1.00 1.00 N ATOM 851 CA MET A 58 11.424 -1.148 -6.183 1.00 1.00 C ATOM 852 C MET A 58 12.331 -0.058 -5.608 1.00 1.00 C ATOM 853 O MET A 58 13.164 0.501 -6.320 1.00 1.00 O ATOM 854 CB MET A 58 10.063 -0.544 -6.538 1.00 1.00 C ATOM 855 CG MET A 58 9.159 -1.585 -7.202 1.00 1.00 C ATOM 856 SD MET A 58 7.936 -0.772 -8.216 1.00 1.00 S ATOM 857 CE MET A 58 8.361 -1.444 -9.814 1.00 1.00 C ATOM 0 H MET A 58 10.553 -2.043 -4.500 1.00 1.00 H new ATOM 0 HA MET A 58 11.896 -1.554 -7.078 1.00 1.00 H new ATOM 0 HB2 MET A 58 9.584 -0.163 -5.636 1.00 1.00 H new ATOM 0 HB3 MET A 58 10.201 0.304 -7.209 1.00 1.00 H new ATOM 0 HG2 MET A 58 9.757 -2.262 -7.812 1.00 1.00 H new ATOM 0 HG3 MET A 58 8.668 -2.191 -6.441 1.00 1.00 H new ATOM 0 HE1 MET A 58 7.689 -1.037 -10.570 1.00 1.00 H new ATOM 0 HE2 MET A 58 9.389 -1.176 -10.060 1.00 1.00 H new ATOM 0 HE3 MET A 58 8.265 -2.529 -9.789 1.00 1.00 H new ATOM 867 N LYS A 59 12.139 0.211 -4.325 1.00 1.00 N ATOM 868 CA LYS A 59 12.930 1.224 -3.646 1.00 1.00 C ATOM 869 C LYS A 59 12.448 2.612 -4.073 1.00 1.00 C ATOM 870 O LYS A 59 13.254 3.474 -4.418 1.00 1.00 O ATOM 871 CB LYS A 59 14.423 0.990 -3.889 1.00 1.00 C ATOM 872 CG LYS A 59 15.115 0.503 -2.614 1.00 1.00 C ATOM 873 CD LYS A 59 14.948 1.515 -1.479 1.00 1.00 C ATOM 874 CE LYS A 59 16.270 2.224 -1.178 1.00 1.00 C ATOM 875 NZ LYS A 59 16.350 2.586 0.255 1.00 1.00 N ATOM 0 H LYS A 59 11.447 -0.255 -3.738 1.00 1.00 H new ATOM 0 HA LYS A 59 12.791 1.156 -2.567 1.00 1.00 H new ATOM 0 HB2 LYS A 59 14.555 0.255 -4.683 1.00 1.00 H new ATOM 0 HB3 LYS A 59 14.889 1.914 -4.230 1.00 1.00 H new ATOM 0 HG2 LYS A 59 14.697 -0.458 -2.314 1.00 1.00 H new ATOM 0 HG3 LYS A 59 16.175 0.343 -2.810 1.00 1.00 H new ATOM 0 HD2 LYS A 59 14.191 2.250 -1.751 1.00 1.00 H new ATOM 0 HD3 LYS A 59 14.592 1.007 -0.583 1.00 1.00 H new ATOM 0 HE2 LYS A 59 17.105 1.576 -1.443 1.00 1.00 H new ATOM 0 HE3 LYS A 59 16.356 3.121 -1.791 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 17.253 3.066 0.442 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 15.563 3.222 0.497 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 16.290 1.725 0.835 1.00 1.00 H new ATOM 888 N LYS A 60 11.135 2.784 -4.036 1.00 1.00 N ATOM 889 CA LYS A 60 10.536 4.052 -4.414 1.00 1.00 C ATOM 890 C LYS A 60 9.589 4.516 -3.305 1.00 1.00 C ATOM 891 O LYS A 60 9.593 5.687 -2.929 1.00 1.00 O ATOM 892 CB LYS A 60 9.867 3.941 -5.786 1.00 1.00 C ATOM 893 CG LYS A 60 10.275 5.106 -6.690 1.00 1.00 C ATOM 894 CD LYS A 60 11.580 4.798 -7.426 1.00 1.00 C ATOM 895 CE LYS A 60 12.343 6.084 -7.751 1.00 1.00 C ATOM 896 NZ LYS A 60 13.802 5.865 -7.633 1.00 1.00 N ATOM 0 H LYS A 60 10.469 2.066 -3.750 1.00 1.00 H new ATOM 0 HA LYS A 60 11.304 4.818 -4.520 1.00 1.00 H new ATOM 0 HB2 LYS A 60 10.145 2.997 -6.255 1.00 1.00 H new ATOM 0 HB3 LYS A 60 8.784 3.931 -5.667 1.00 1.00 H new ATOM 0 HG2 LYS A 60 9.484 5.304 -7.413 1.00 1.00 H new ATOM 0 HG3 LYS A 60 10.395 6.010 -6.093 1.00 1.00 H new ATOM 0 HD2 LYS A 60 12.203 4.147 -6.813 1.00 1.00 H new ATOM 0 HD3 LYS A 60 11.363 4.257 -8.347 1.00 1.00 H new ATOM 0 HE2 LYS A 60 12.099 6.413 -8.761 1.00 1.00 H new ATOM 0 HE3 LYS A 60 12.033 6.879 -7.073 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 14.305 6.747 -7.857 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 14.032 5.572 -6.662 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 14.096 5.121 -8.297 1.00 1.00 H new ATOM 909 N GLY A 61 8.801 3.572 -2.811 1.00 1.00 N ATOM 910 CA GLY A 61 7.851 3.869 -1.752 1.00 1.00 C ATOM 911 C GLY A 61 8.542 3.895 -0.387 1.00 1.00 C ATOM 912 O GLY A 61 9.759 3.773 -0.270 1.00 1.00 O ATOM 0 H GLY A 61 8.801 2.601 -3.124 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.378 4.832 -1.943 1.00 1.00 H new ATOM 0 HA3 GLY A 61 7.059 3.120 -1.748 1.00 1.00 H new ATOM 916 N PRO A 62 7.726 4.061 0.656 1.00 1.00 N ATOM 917 CA PRO A 62 8.163 4.114 2.034 1.00 1.00 C ATOM 918 C PRO A 62 8.544 2.717 2.503 1.00 1.00 C ATOM 919 O PRO A 62 7.852 1.763 2.151 1.00 1.00 O ATOM 920 CB PRO A 62 6.956 4.640 2.808 1.00 1.00 C ATOM 921 CG PRO A 62 5.770 3.998 1.974 1.00 1.00 C ATOM 922 CD PRO A 62 6.290 4.208 0.553 1.00 1.00 C ATOM 0 HA PRO A 62 9.038 4.748 2.177 1.00 1.00 H new ATOM 0 HB2 PRO A 62 6.956 4.312 3.847 1.00 1.00 H new ATOM 0 HB3 PRO A 62 6.913 5.729 2.818 1.00 1.00 H new ATOM 0 HG2 PRO A 62 5.619 2.945 2.210 1.00 1.00 H new ATOM 0 HG3 PRO A 62 4.820 4.503 2.147 1.00 1.00 H new ATOM 0 HD2 PRO A 62 5.866 3.476 -0.135 1.00 1.00 H new ATOM 0 HD3 PRO A 62 6.020 5.194 0.175 1.00 1.00 H new ATOM 930 N THR A 63 9.619 2.621 3.272 1.00 1.00 N ATOM 931 CA THR A 63 10.069 1.334 3.772 1.00 1.00 C ATOM 932 C THR A 63 10.523 1.456 5.228 1.00 1.00 C ATOM 933 O THR A 63 11.389 0.706 5.677 1.00 1.00 O ATOM 934 CB THR A 63 11.165 0.820 2.835 1.00 1.00 C ATOM 935 OG1 THR A 63 11.834 2.001 2.403 1.00 1.00 O ATOM 936 CG2 THR A 63 10.599 0.219 1.546 1.00 1.00 C ATOM 0 H THR A 63 10.191 3.414 3.561 1.00 1.00 H new ATOM 0 HA THR A 63 9.257 0.606 3.778 1.00 1.00 H new ATOM 0 HB THR A 63 11.763 0.070 3.353 1.00 1.00 H new ATOM 0 HG1 THR A 63 12.562 1.760 1.792 1.00 1.00 H new ATOM 0 HG21 THR A 63 11.418 -0.130 0.917 1.00 1.00 H new ATOM 0 HG22 THR A 63 9.947 -0.619 1.791 1.00 1.00 H new ATOM 0 HG23 THR A 63 10.029 0.978 1.011 1.00 1.00 H new ATOM 944 N LYS A 64 9.918 2.406 5.925 1.00 1.00 N ATOM 945 CA LYS A 64 10.250 2.636 7.321 1.00 1.00 C ATOM 946 C LYS A 64 8.960 2.836 8.120 1.00 1.00 C ATOM 947 O LYS A 64 7.947 3.269 7.573 1.00 1.00 O ATOM 948 CB LYS A 64 11.241 3.794 7.453 1.00 1.00 C ATOM 949 CG LYS A 64 12.494 3.359 8.215 1.00 1.00 C ATOM 950 CD LYS A 64 13.399 4.556 8.512 1.00 1.00 C ATOM 951 CE LYS A 64 13.007 5.227 9.830 1.00 1.00 C ATOM 952 NZ LYS A 64 14.212 5.531 10.635 1.00 1.00 N ATOM 0 H LYS A 64 9.200 3.025 5.550 1.00 1.00 H new ATOM 0 HA LYS A 64 10.755 1.766 7.741 1.00 1.00 H new ATOM 0 HB2 LYS A 64 11.520 4.153 6.462 1.00 1.00 H new ATOM 0 HB3 LYS A 64 10.766 4.626 7.972 1.00 1.00 H new ATOM 0 HG2 LYS A 64 12.206 2.876 9.149 1.00 1.00 H new ATOM 0 HG3 LYS A 64 13.042 2.621 7.629 1.00 1.00 H new ATOM 0 HD2 LYS A 64 14.437 4.228 8.562 1.00 1.00 H new ATOM 0 HD3 LYS A 64 13.332 5.278 7.698 1.00 1.00 H new ATOM 0 HE2 LYS A 64 12.456 6.146 9.628 1.00 1.00 H new ATOM 0 HE3 LYS A 64 12.341 4.574 10.394 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 13.928 5.986 11.526 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 14.722 4.649 10.844 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 14.833 6.172 10.101 1.00 1.00 H new ATOM 965 N CYS A 65 9.040 2.512 9.402 1.00 1.00 N ATOM 966 CA CYS A 65 7.892 2.650 10.282 1.00 1.00 C ATOM 967 C CYS A 65 7.441 4.112 10.256 1.00 1.00 C ATOM 968 O CYS A 65 6.244 4.395 10.239 1.00 1.00 O ATOM 969 CB CYS A 65 8.208 2.176 11.702 1.00 1.00 C ATOM 970 SG CYS A 65 9.295 0.707 11.797 1.00 1.00 S ATOM 0 H CYS A 65 9.882 2.154 9.853 1.00 1.00 H new ATOM 0 HA CYS A 65 7.081 2.013 9.929 1.00 1.00 H new ATOM 0 HB2 CYS A 65 8.679 2.994 12.247 1.00 1.00 H new ATOM 0 HB3 CYS A 65 7.271 1.951 12.212 1.00 1.00 H new ATOM 975 N GLY A 66 8.423 5.002 10.253 1.00 1.00 N ATOM 976 CA GLY A 66 8.141 6.427 10.229 1.00 1.00 C ATOM 977 C GLY A 66 8.030 6.940 8.792 1.00 1.00 C ATOM 978 O GLY A 66 8.106 8.144 8.551 1.00 1.00 O ATOM 0 H GLY A 66 9.415 4.764 10.267 1.00 1.00 H new ATOM 0 HA2 GLY A 66 7.212 6.626 10.763 1.00 1.00 H new ATOM 0 HA3 GLY A 66 8.931 6.966 10.751 1.00 1.00 H new ATOM 982 N GLU A 67 7.852 6.001 7.875 1.00 1.00 N ATOM 983 CA GLU A 67 7.730 6.343 6.468 1.00 1.00 C ATOM 984 C GLU A 67 6.359 5.920 5.936 1.00 1.00 C ATOM 985 O GLU A 67 6.061 6.109 4.758 1.00 1.00 O ATOM 986 CB GLU A 67 8.855 5.706 5.649 1.00 1.00 C ATOM 987 CG GLU A 67 9.800 6.774 5.094 1.00 1.00 C ATOM 988 CD GLU A 67 10.836 6.154 4.154 1.00 1.00 C ATOM 989 OE1 GLU A 67 10.615 5.053 3.628 1.00 1.00 O ATOM 990 OE2 GLU A 67 11.902 6.858 3.976 1.00 1.00 O ATOM 0 H GLU A 67 7.789 5.003 8.079 1.00 1.00 H new ATOM 0 HA GLU A 67 7.820 7.425 6.368 1.00 1.00 H new ATOM 0 HB2 GLU A 67 9.414 5.009 6.273 1.00 1.00 H new ATOM 0 HB3 GLU A 67 8.430 5.129 4.828 1.00 1.00 H new ATOM 0 HG2 GLU A 67 9.226 7.531 4.560 1.00 1.00 H new ATOM 0 HG3 GLU A 67 10.306 7.280 5.916 1.00 1.00 H new ATOM 998 N CYS A 68 5.561 5.356 6.831 1.00 1.00 N ATOM 999 CA CYS A 68 4.228 4.905 6.466 1.00 1.00 C ATOM 1000 C CYS A 68 3.249 5.385 7.539 1.00 1.00 C ATOM 1001 O CYS A 68 2.344 6.168 7.253 1.00 1.00 O ATOM 1002 CB CYS A 68 4.175 3.387 6.282 1.00 1.00 C ATOM 1003 SG CYS A 68 4.026 2.977 4.505 1.00 1.00 S ATOM 0 H CYS A 68 5.811 5.201 7.808 1.00 1.00 H new ATOM 0 HA CYS A 68 3.948 5.331 5.503 1.00 1.00 H new ATOM 0 HB2 CYS A 68 5.075 2.931 6.695 1.00 1.00 H new ATOM 0 HB3 CYS A 68 3.328 2.975 6.831 1.00 1.00 H new ATOM 1008 N HIS A 69 3.463 4.896 8.752 1.00 1.00 N ATOM 1009 CA HIS A 69 2.610 5.265 9.869 1.00 1.00 C ATOM 1010 C HIS A 69 2.878 6.719 10.261 1.00 1.00 C ATOM 1011 O HIS A 69 3.939 7.035 10.798 1.00 1.00 O ATOM 1012 CB HIS A 69 2.792 4.293 11.036 1.00 1.00 C ATOM 1013 CG HIS A 69 2.421 2.866 10.710 1.00 1.00 C ATOM 1014 ND1 HIS A 69 1.110 2.447 10.564 1.00 1.00 N ATOM 1015 CD2 HIS A 69 3.201 1.766 10.502 1.00 1.00 C ATOM 1016 CE1 HIS A 69 1.113 1.152 10.283 1.00 1.00 C ATOM 1017 NE2 HIS A 69 2.410 0.732 10.245 1.00 1.00 N ATOM 0 H HIS A 69 4.215 4.247 8.986 1.00 1.00 H new ATOM 0 HA HIS A 69 1.564 5.192 9.572 1.00 1.00 H new ATOM 0 HB2 HIS A 69 3.832 4.322 11.361 1.00 1.00 H new ATOM 0 HB3 HIS A 69 2.186 4.632 11.876 1.00 1.00 H new ATOM 0 HD1 HIS A 69 0.282 3.035 10.657 1.00 1.00 H new ATOM 0 HD2 HIS A 69 4.280 1.741 10.540 1.00 1.00 H new ATOM 0 HE1 HIS A 69 0.241 0.537 10.114 1.00 1.00 H new ATOM 1025 N LYS A 70 1.900 7.565 9.977 1.00 1.00 N ATOM 1026 CA LYS A 70 2.017 8.979 10.294 1.00 1.00 C ATOM 1027 C LYS A 70 0.622 9.564 10.522 1.00 1.00 C ATOM 1028 O LYS A 70 -0.205 9.581 9.611 1.00 1.00 O ATOM 1029 CB LYS A 70 2.819 9.705 9.212 1.00 1.00 C ATOM 1030 CG LYS A 70 2.895 11.206 9.501 1.00 1.00 C ATOM 1031 CD LYS A 70 3.858 11.494 10.655 1.00 1.00 C ATOM 1032 CE LYS A 70 5.286 11.689 10.142 1.00 1.00 C ATOM 1033 NZ LYS A 70 5.679 13.113 10.230 1.00 1.00 N ATOM 0 H LYS A 70 1.022 7.299 9.531 1.00 1.00 H new ATOM 0 HA LYS A 70 2.575 9.117 11.220 1.00 1.00 H new ATOM 0 HB2 LYS A 70 3.825 9.290 9.160 1.00 1.00 H new ATOM 0 HB3 LYS A 70 2.356 9.541 8.239 1.00 1.00 H new ATOM 0 HG2 LYS A 70 3.224 11.736 8.607 1.00 1.00 H new ATOM 0 HG3 LYS A 70 1.903 11.583 9.748 1.00 1.00 H new ATOM 0 HD2 LYS A 70 3.534 12.388 11.189 1.00 1.00 H new ATOM 0 HD3 LYS A 70 3.833 10.670 11.368 1.00 1.00 H new ATOM 0 HE2 LYS A 70 5.975 11.079 10.726 1.00 1.00 H new ATOM 0 HE3 LYS A 70 5.357 11.349 9.109 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 6.651 13.227 9.878 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 5.032 13.688 9.654 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 5.631 13.426 11.221 1.00 1.00 H new ATOM 1046 N LYS A 71 0.402 10.028 11.744 1.00 1.00 N ATOM 1047 CA LYS A 71 -0.879 10.612 12.103 1.00 1.00 C ATOM 1048 C LYS A 71 -1.236 11.707 11.096 1.00 1.00 C ATOM 1049 O LYS A 71 -2.162 11.547 10.302 1.00 1.00 O ATOM 1050 CB LYS A 71 -0.859 11.095 13.555 1.00 1.00 C ATOM 1051 CG LYS A 71 -2.274 11.151 14.133 1.00 1.00 C ATOM 1052 CD LYS A 71 -2.554 12.516 14.766 1.00 1.00 C ATOM 1053 CE LYS A 71 -3.840 13.127 14.206 1.00 1.00 C ATOM 1054 NZ LYS A 71 -4.624 13.764 15.287 1.00 1.00 N ATOM 0 H LYS A 71 1.089 10.011 12.497 1.00 1.00 H new ATOM 0 HA LYS A 71 -1.668 9.861 12.051 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -0.243 10.426 14.156 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -0.402 12.083 13.607 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -3.001 10.956 13.344 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -2.397 10.367 14.881 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -2.639 12.409 15.847 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -1.716 13.187 14.577 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -3.596 13.865 13.442 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -4.437 12.353 13.723 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -5.494 14.174 14.890 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -4.872 13.051 16.002 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -4.058 14.516 15.730 1.00 1.00 H new TER 1067 LYS A 71 HETATM 1068 CHA HEM A 101 -8.991 -0.842 -3.769 1.00 1.00 C HETATM 1069 CHB HEM A 101 -9.246 -0.147 -8.583 1.00 1.00 C HETATM 1070 CHC HEM A 101 -4.384 -0.007 -8.835 1.00 1.00 C HETATM 1071 CHD HEM A 101 -4.133 -1.080 -4.030 1.00 1.00 C HETATM 1072 C1A HEM A 101 -9.469 -0.703 -5.068 1.00 1.00 C HETATM 1073 C2A HEM A 101 -10.861 -0.811 -5.435 1.00 1.00 C HETATM 1074 C3A HEM A 101 -10.936 -0.619 -6.769 1.00 1.00 C HETATM 1075 C4A HEM A 101 -9.590 -0.390 -7.241 1.00 1.00 C HETATM 1076 CMA HEM A 101 -12.160 -0.632 -7.638 1.00 1.00 C HETATM 1077 CAA HEM A 101 -11.984 -1.087 -4.478 1.00 1.00 C HETATM 1078 CBA HEM A 101 -12.550 0.161 -3.808 1.00 1.00 C HETATM 1079 CGA HEM A 101 -13.128 1.121 -4.839 1.00 1.00 C HETATM 1080 O1A HEM A 101 -12.429 2.109 -5.150 1.00 1.00 O HETATM 1081 O2A HEM A 101 -14.259 0.849 -5.296 1.00 1.00 O HETATM 1082 C1B HEM A 101 -7.944 0.000 -9.049 1.00 1.00 C HETATM 1083 C2B HEM A 101 -7.603 0.377 -10.401 1.00 1.00 C HETATM 1084 C3B HEM A 101 -6.255 0.417 -10.474 1.00 1.00 C HETATM 1085 C4B HEM A 101 -5.749 0.065 -9.168 1.00 1.00 C HETATM 1086 CMB HEM A 101 -8.596 0.662 -11.489 1.00 1.00 C HETATM 1087 CAB HEM A 101 -5.404 0.756 -11.663 1.00 1.00 C HETATM 1088 CBB HEM A 101 -5.937 1.919 -12.495 1.00 1.00 C HETATM 1089 C1C HEM A 101 -3.869 -0.343 -7.509 1.00 1.00 C HETATM 1090 C2C HEM A 101 -2.478 -0.552 -7.183 1.00 1.00 C HETATM 1091 C3C HEM A 101 -2.419 -0.846 -5.867 1.00 1.00 C HETATM 1092 C4C HEM A 101 -3.773 -0.823 -5.365 1.00 1.00 C HETATM 1093 CMC HEM A 101 -1.343 -0.450 -8.160 1.00 1.00 C HETATM 1094 CAC HEM A 101 -1.202 -1.148 -5.042 1.00 1.00 C HETATM 1095 CBC HEM A 101 0.061 -0.432 -5.514 1.00 1.00 C HETATM 1096 C1D HEM A 101 -5.440 -1.093 -3.554 1.00 1.00 C HETATM 1097 C2D HEM A 101 -5.800 -1.331 -2.176 1.00 1.00 C HETATM 1098 C3D HEM A 101 -7.146 -1.265 -2.100 1.00 1.00 C HETATM 1099 C4D HEM A 101 -7.633 -0.986 -3.431 1.00 1.00 C HETATM 1100 CMD HEM A 101 -4.823 -1.597 -1.067 1.00 1.00 C HETATM 1101 CAD HEM A 101 -8.013 -1.442 -0.888 1.00 1.00 C HETATM 1102 CBD HEM A 101 -7.669 -2.672 -0.053 1.00 1.00 C HETATM 1103 CGD HEM A 101 -7.003 -2.276 1.257 1.00 1.00 C HETATM 1104 O1D HEM A 101 -7.331 -2.919 2.278 1.00 1.00 O HETATM 1105 O2D HEM A 101 -6.178 -1.338 1.214 1.00 1.00 O HETATM 1106 NA HEM A 101 -8.696 -0.444 -6.186 1.00 1.00 N HETATM 1107 NB HEM A 101 -6.796 -0.190 -8.299 1.00 1.00 N HETATM 1108 NC HEM A 101 -4.657 -0.512 -6.384 1.00 1.00 N HETATM 1109 ND HEM A 101 -6.575 -0.882 -4.317 1.00 1.00 N HETATM 1110 FE HEM A 101 -6.499 -0.560 -6.387 1.00 1.00 FE HETATM 0 HMA1 HEM A 101 -12.902 -1.306 -7.211 1.00 1.00 H new HETATM 0 HMA2 HEM A 101 -11.893 -0.973 -8.638 1.00 1.00 H new HETATM 0 HMA3 HEM A 101 -12.575 0.374 -7.697 1.00 1.00 H new HETATM 0 HMB1 HEM A 101 -9.497 0.071 -11.324 1.00 1.00 H new HETATM 0 HMB2 HEM A 101 -8.163 0.401 -12.455 1.00 1.00 H new HETATM 0 HMB3 HEM A 101 -8.851 1.722 -11.480 1.00 1.00 H new HETATM 0 HMC1 HEM A 101 -1.693 -0.726 -9.155 1.00 1.00 H new HETATM 0 HMC2 HEM A 101 -0.541 -1.124 -7.858 1.00 1.00 H new HETATM 0 HMC3 HEM A 101 -0.969 0.574 -8.178 1.00 1.00 H new HETATM 0 HMD1 HEM A 101 -3.942 -2.097 -1.470 1.00 1.00 H new HETATM 0 HMD2 HEM A 101 -5.290 -2.235 -0.316 1.00 1.00 H new HETATM 0 HMD3 HEM A 101 -4.527 -0.653 -0.609 1.00 1.00 H new HETATM 0 HBB1 HEM A 101 -5.395 2.248 -13.382 1.00 1.00 H new HETATM 0 HBB2 HEM A 101 -6.859 2.421 -12.202 1.00 1.00 H new HETATM 0 HBC1 HEM A 101 1.002 -0.581 -4.985 1.00 1.00 H new HETATM 0 HBC2 HEM A 101 0.022 0.228 -6.380 1.00 1.00 H new HETATM 0 HBA1 HEM A 101 -11.765 0.661 -3.241 1.00 1.00 H new HETATM 0 HBA2 HEM A 101 -13.325 -0.124 -3.097 1.00 1.00 H new HETATM 0 HAA1 HEM A 101 -11.631 -1.772 -3.707 1.00 1.00 H new HETATM 0 HAA2 HEM A 101 -12.786 -1.595 -5.013 1.00 1.00 H new HETATM 0 HBD1 HEM A 101 -7.005 -3.326 -0.619 1.00 1.00 H new HETATM 0 HBD2 HEM A 101 -8.576 -3.240 0.154 1.00 1.00 H new HETATM 0 HAD1 HEM A 101 -9.054 -1.510 -1.205 1.00 1.00 H new HETATM 0 HAD2 HEM A 101 -7.929 -0.555 -0.261 1.00 1.00 H new HETATM 0 HHA HEM A 101 -9.712 -0.839 -2.965 1.00 1.00 H new HETATM 0 HHB HEM A 101 -10.049 -0.069 -9.301 1.00 1.00 H new HETATM 0 HHC HEM A 101 -3.666 0.201 -9.614 1.00 1.00 H new HETATM 0 HHD HEM A 101 -3.340 -1.281 -3.325 1.00 1.00 H new HETATM 0 HAB HEM A 101 -4.488 0.220 -11.910 1.00 1.00 H new HETATM 0 HAC HEM A 101 -1.219 -1.819 -4.183 1.00 1.00 H new HETATM 1111 CHA HEM A 102 5.234 5.303 -2.773 1.00 1.00 C HETATM 1112 CHB HEM A 102 2.143 3.461 0.510 1.00 1.00 C HETATM 1113 CHC HEM A 102 1.760 -0.617 -2.126 1.00 1.00 C HETATM 1114 CHD HEM A 102 5.042 1.148 -5.308 1.00 1.00 C HETATM 1115 C1A HEM A 102 4.395 5.158 -1.672 1.00 1.00 C HETATM 1116 C2A HEM A 102 4.144 6.197 -0.702 1.00 1.00 C HETATM 1117 C3A HEM A 102 3.287 5.690 0.210 1.00 1.00 C HETATM 1118 C4A HEM A 102 3.000 4.332 -0.187 1.00 1.00 C HETATM 1119 CMA HEM A 102 2.716 6.370 1.420 1.00 1.00 C HETATM 1120 CAA HEM A 102 4.745 7.572 -0.740 1.00 1.00 C HETATM 1121 CBA HEM A 102 4.716 8.224 -2.119 1.00 1.00 C HETATM 1122 CGA HEM A 102 3.966 9.548 -2.084 1.00 1.00 C HETATM 1123 O1A HEM A 102 4.493 10.482 -1.441 1.00 1.00 O HETATM 1124 O2A HEM A 102 2.880 9.601 -2.700 1.00 1.00 O HETATM 1125 C1B HEM A 102 1.768 2.198 0.064 1.00 1.00 C HETATM 1126 C2B HEM A 102 0.830 1.340 0.749 1.00 1.00 C HETATM 1127 C3B HEM A 102 0.722 0.209 0.021 1.00 1.00 C HETATM 1128 C4B HEM A 102 1.592 0.355 -1.122 1.00 1.00 C HETATM 1129 CMB HEM A 102 0.130 1.685 2.031 1.00 1.00 C HETATM 1130 CAB HEM A 102 -0.127 -0.995 0.306 1.00 1.00 C HETATM 1131 CBB HEM A 102 -1.543 -0.662 0.769 1.00 1.00 C HETATM 1132 C1C HEM A 102 2.649 -0.504 -3.244 1.00 1.00 C HETATM 1133 C2C HEM A 102 2.942 -1.554 -4.191 1.00 1.00 C HETATM 1134 C3C HEM A 102 3.855 -1.064 -5.056 1.00 1.00 C HETATM 1135 C4C HEM A 102 4.136 0.293 -4.654 1.00 1.00 C HETATM 1136 CMC HEM A 102 2.322 -2.921 -4.177 1.00 1.00 C HETATM 1137 CAC HEM A 102 4.485 -1.761 -6.227 1.00 1.00 C HETATM 1138 CBC HEM A 102 3.722 -2.995 -6.699 1.00 1.00 C HETATM 1139 C1D HEM A 102 5.315 2.455 -4.918 1.00 1.00 C HETATM 1140 C2D HEM A 102 6.072 3.397 -5.709 1.00 1.00 C HETATM 1141 C3D HEM A 102 6.127 4.549 -5.010 1.00 1.00 C HETATM 1142 C4D HEM A 102 5.405 4.333 -3.778 1.00 1.00 C HETATM 1143 CMD HEM A 102 6.668 3.103 -7.055 1.00 1.00 C HETATM 1144 CAD HEM A 102 6.799 5.835 -5.397 1.00 1.00 C HETATM 1145 CBD HEM A 102 6.290 6.430 -6.707 1.00 1.00 C HETATM 1146 CGD HEM A 102 7.396 6.480 -7.752 1.00 1.00 C HETATM 1147 O1D HEM A 102 7.234 5.791 -8.783 1.00 1.00 O HETATM 1148 O2D HEM A 102 8.383 7.205 -7.500 1.00 1.00 O HETATM 1149 NA HEM A 102 3.687 4.015 -1.346 1.00 1.00 N HETATM 1150 NB HEM A 102 2.231 1.582 -1.086 1.00 1.00 N HETATM 1151 NC HEM A 102 3.389 0.628 -3.538 1.00 1.00 N HETATM 1152 ND HEM A 102 4.910 3.042 -3.732 1.00 1.00 N HETATM 1153 FE HEM A 102 3.650 2.268 -2.513 1.00 1.00 FE HETATM 0 HMA1 HEM A 102 3.427 7.108 1.792 1.00 1.00 H new HETATM 0 HMA2 HEM A 102 2.523 5.630 2.196 1.00 1.00 H new HETATM 0 HMA3 HEM A 102 1.783 6.867 1.152 1.00 1.00 H new HETATM 0 HMB1 HEM A 102 -0.841 1.191 2.060 1.00 1.00 H new HETATM 0 HMB2 HEM A 102 -0.010 2.764 2.090 1.00 1.00 H new HETATM 0 HMB3 HEM A 102 0.732 1.351 2.876 1.00 1.00 H new HETATM 0 HMC1 HEM A 102 2.270 -3.307 -5.195 1.00 1.00 H new HETATM 0 HMC2 HEM A 102 1.317 -2.860 -3.760 1.00 1.00 H new HETATM 0 HMC3 HEM A 102 2.928 -3.589 -3.566 1.00 1.00 H new HETATM 0 HMD1 HEM A 102 6.923 2.045 -7.117 1.00 1.00 H new HETATM 0 HMD2 HEM A 102 7.568 3.702 -7.193 1.00 1.00 H new HETATM 0 HMD3 HEM A 102 5.946 3.348 -7.834 1.00 1.00 H new HETATM 0 HBB1 HEM A 102 -2.243 -1.464 1.003 1.00 1.00 H new HETATM 0 HBB2 HEM A 102 -1.854 0.378 0.866 1.00 1.00 H new HETATM 0 HBC1 HEM A 102 4.093 -3.575 -7.544 1.00 1.00 H new HETATM 0 HBC2 HEM A 102 2.805 -3.296 -6.192 1.00 1.00 H new HETATM 0 HBA1 HEM A 102 4.240 7.552 -2.833 1.00 1.00 H new HETATM 0 HBA2 HEM A 102 5.735 8.389 -2.468 1.00 1.00 H new HETATM 0 HAA1 HEM A 102 5.778 7.515 -0.398 1.00 1.00 H new HETATM 0 HAA2 HEM A 102 4.211 8.210 -0.036 1.00 1.00 H new HETATM 0 HBD1 HEM A 102 5.908 7.435 -6.529 1.00 1.00 H new HETATM 0 HBD2 HEM A 102 5.458 5.834 -7.082 1.00 1.00 H new HETATM 0 HAD1 HEM A 102 7.872 5.662 -5.481 1.00 1.00 H new HETATM 0 HAD2 HEM A 102 6.655 6.563 -4.599 1.00 1.00 H new HETATM 0 HHA HEM A 102 5.792 6.223 -2.862 1.00 1.00 H new HETATM 0 HHB HEM A 102 1.749 3.796 1.458 1.00 1.00 H new HETATM 0 HHC HEM A 102 1.172 -1.520 -2.047 1.00 1.00 H new HETATM 0 HHD HEM A 102 5.562 0.763 -6.173 1.00 1.00 H new HETATM 0 HAB HEM A 102 0.235 -2.017 0.192 1.00 1.00 H new HETATM 0 HAC HEM A 102 5.406 -1.416 -6.698 1.00 1.00 H new HETATM 1154 CHA HEM A 103 -0.268 -2.146 10.501 1.00 1.00 C HETATM 1155 CHB HEM A 103 3.880 -1.689 13.013 1.00 1.00 C HETATM 1156 CHC HEM A 103 6.183 -0.169 9.000 1.00 1.00 C HETATM 1157 CHD HEM A 103 1.857 -0.162 6.592 1.00 1.00 C HETATM 1158 C1A HEM A 103 0.665 -2.127 11.532 1.00 1.00 C HETATM 1159 C2A HEM A 103 0.361 -2.439 12.908 1.00 1.00 C HETATM 1160 C3A HEM A 103 1.508 -2.314 13.608 1.00 1.00 C HETATM 1161 C4A HEM A 103 2.535 -1.922 12.671 1.00 1.00 C HETATM 1162 CMA HEM A 103 1.723 -2.529 15.078 1.00 1.00 C HETATM 1163 CAA HEM A 103 -0.996 -2.827 13.421 1.00 1.00 C HETATM 1164 CBA HEM A 103 -1.922 -1.643 13.684 1.00 1.00 C HETATM 1165 CGA HEM A 103 -2.477 -1.686 15.101 1.00 1.00 C HETATM 1166 O1A HEM A 103 -2.751 -0.590 15.636 1.00 1.00 O HETATM 1167 O2A HEM A 103 -2.616 -2.814 15.622 1.00 1.00 O HETATM 1168 C1B HEM A 103 4.871 -1.319 12.110 1.00 1.00 C HETATM 1169 C2B HEM A 103 6.285 -1.338 12.403 1.00 1.00 C HETATM 1170 C3B HEM A 103 6.926 -0.917 11.293 1.00 1.00 C HETATM 1171 C4B HEM A 103 5.916 -0.634 10.301 1.00 1.00 C HETATM 1172 CMB HEM A 103 6.884 -1.755 13.715 1.00 1.00 C HETATM 1173 CAB HEM A 103 8.404 -0.758 11.083 1.00 1.00 C HETATM 1174 CBB HEM A 103 9.218 -1.998 11.442 1.00 1.00 C HETATM 1175 C1C HEM A 103 5.167 -0.033 7.914 1.00 1.00 C HETATM 1176 C2C HEM A 103 5.375 0.601 6.634 1.00 1.00 C HETATM 1177 C3C HEM A 103 4.181 0.625 6.004 1.00 1.00 C HETATM 1178 C4C HEM A 103 3.222 0.005 6.888 1.00 1.00 C HETATM 1179 CMC HEM A 103 6.692 1.123 6.138 1.00 1.00 C HETATM 1180 CAC HEM A 103 3.864 1.179 4.646 1.00 1.00 C HETATM 1181 CBC HEM A 103 4.753 0.636 3.531 1.00 1.00 C HETATM 1182 C1D HEM A 103 0.937 -0.774 7.438 1.00 1.00 C HETATM 1183 C2D HEM A 103 -0.390 -1.179 7.035 1.00 1.00 C HETATM 1184 C3D HEM A 103 -0.981 -1.729 8.116 1.00 1.00 C HETATM 1185 C4D HEM A 103 -0.027 -1.670 9.199 1.00 1.00 C HETATM 1186 CMD HEM A 103 -0.961 -1.002 5.659 1.00 1.00 C HETATM 1187 CAD HEM A 103 -2.363 -2.306 8.220 1.00 1.00 C HETATM 1188 CBD HEM A 103 -3.476 -1.312 7.899 1.00 1.00 C HETATM 1189 CGD HEM A 103 -4.481 -1.910 6.925 1.00 1.00 C HETATM 1190 O1D HEM A 103 -5.692 -1.764 7.198 1.00 1.00 O HETATM 1191 O2D HEM A 103 -4.019 -2.501 5.925 1.00 1.00 O HETATM 1192 NA HEM A 103 2.006 -1.810 11.397 1.00 1.00 N HETATM 1193 NB HEM A 103 4.655 -0.885 10.814 1.00 1.00 N HETATM 1194 NC HEM A 103 3.839 -0.396 8.060 1.00 1.00 N HETATM 1195 ND HEM A 103 1.149 -1.080 8.770 1.00 1.00 N HETATM 1196 FE HEM A 103 2.976 -0.963 9.814 1.00 1.00 FE HETATM 0 HMA1 HEM A 103 0.806 -2.292 15.618 1.00 1.00 H new HETATM 0 HMA2 HEM A 103 2.527 -1.881 15.427 1.00 1.00 H new HETATM 0 HMA3 HEM A 103 1.992 -3.570 15.258 1.00 1.00 H new HETATM 0 HMB1 HEM A 103 6.187 -1.529 14.522 1.00 1.00 H new HETATM 0 HMB2 HEM A 103 7.816 -1.213 13.878 1.00 1.00 H new HETATM 0 HMB3 HEM A 103 7.085 -2.826 13.699 1.00 1.00 H new HETATM 0 HMC1 HEM A 103 7.297 1.446 6.985 1.00 1.00 H new HETATM 0 HMC2 HEM A 103 6.521 1.968 5.471 1.00 1.00 H new HETATM 0 HMC3 HEM A 103 7.216 0.334 5.598 1.00 1.00 H new HETATM 0 HMD1 HEM A 103 -1.678 -1.798 5.458 1.00 1.00 H new HETATM 0 HMD2 HEM A 103 -0.157 -1.043 4.924 1.00 1.00 H new HETATM 0 HMD3 HEM A 103 -1.463 -0.037 5.595 1.00 1.00 H new HETATM 0 HBB1 HEM A 103 10.302 -1.991 11.327 1.00 1.00 H new HETATM 0 HBB2 HEM A 103 8.715 -2.891 11.813 1.00 1.00 H new HETATM 0 HBC1 HEM A 103 4.607 0.973 2.505 1.00 1.00 H new HETATM 0 HBC2 HEM A 103 5.534 -0.089 3.761 1.00 1.00 H new HETATM 0 HBA1 HEM A 103 -2.744 -1.654 12.968 1.00 1.00 H new HETATM 0 HBA2 HEM A 103 -1.378 -0.711 13.531 1.00 1.00 H new HETATM 0 HAA1 HEM A 103 -0.876 -3.393 14.345 1.00 1.00 H new HETATM 0 HAA2 HEM A 103 -1.470 -3.492 12.699 1.00 1.00 H new HETATM 0 HBD1 HEM A 103 -3.046 -0.406 7.472 1.00 1.00 H new HETATM 0 HBD2 HEM A 103 -3.985 -1.021 8.818 1.00 1.00 H new HETATM 0 HAD1 HEM A 103 -2.511 -2.688 9.230 1.00 1.00 H new HETATM 0 HAD2 HEM A 103 -2.443 -3.156 7.543 1.00 1.00 H new HETATM 0 HHA HEM A 103 -1.245 -2.554 10.714 1.00 1.00 H new HETATM 0 HHB HEM A 103 4.162 -1.806 14.049 1.00 1.00 H new HETATM 0 HHC HEM A 103 7.200 0.111 8.769 1.00 1.00 H new HETATM 0 HHD HEM A 103 1.499 0.210 5.644 1.00 1.00 H new HETATM 0 HAB HEM A 103 8.855 0.161 10.708 1.00 1.00 H new HETATM 0 HAC HEM A 103 3.070 1.905 4.472 1.00 1.00 H new