USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=10 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= -4.4 K(o=-4.7,f=-8.8!) USER MOD Set 1.2: A 103 HEM CMA :methyl 150:sc= -0.305 (180deg=-0.0582) USER MOD Single : A 1 ALA N :NH3+ -128:sc= 0.17 (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= -7.27! C(o=-7.3!,f=-16!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0287) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= -0.629 (180deg=-0.629) 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+ 161:sc= 0.852 (180deg=0.432) 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= -0.224 (180deg=-0.318) USER MOD Single : A 101 HEM CMB :methyl -30:sc= -1.35 (180deg=-4.24!) USER MOD Single : A 101 HEM CMC :methyl -30:sc= -3.65! (180deg=-6.6!) USER MOD Single : A 101 HEM CMD :methyl 150:sc= -0.614 (180deg=-0.614) USER MOD Single : A 102 HEM CMA :methyl 150:sc= -0.295 (180deg=-0.295) USER MOD Single : A 102 HEM CMB :methyl 150:sc= -6.94! (180deg=-6.94!) USER MOD Single : A 102 HEM CMC :methyl 150:sc= -11.5! (180deg=-11.5!) USER MOD Single : A 102 HEM CMD :methyl -30:sc= -5.24! (180deg=-10.9!) USER MOD Single : A 103 HEM CMB :methyl -30:sc= -0.246 (180deg=-1.58) USER MOD Single : A 103 HEM CMC :methyl -30:sc= -4.88! (180deg=-6.61!) USER MOD Single : A 103 HEM CMD :methyl 150:sc= -0.908 (180deg=-0.908) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.469 10.924 -1.367 1.00 1.00 N ATOM 2 CA ALA A 1 -10.911 10.846 -2.706 1.00 1.00 C ATOM 3 C ALA A 1 -10.192 9.506 -2.876 1.00 1.00 C ATOM 4 O ALA A 1 -10.246 8.652 -1.993 1.00 1.00 O ATOM 5 CB ALA A 1 -9.984 12.039 -2.943 1.00 1.00 C ATOM 0 H1 ALA A 1 -12.477 11.172 -1.425 1.00 1.00 H new ATOM 0 H2 ALA A 1 -11.365 10.004 -0.893 1.00 1.00 H new ATOM 0 H3 ALA A 1 -10.964 11.652 -0.823 1.00 1.00 H new ATOM 0 HA ALA A 1 -11.701 10.894 -3.455 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -9.565 11.980 -3.948 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -10.549 12.965 -2.839 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -9.176 12.023 -2.212 1.00 1.00 H new ATOM 11 N ASP A 2 -9.535 9.364 -4.018 1.00 1.00 N ATOM 12 CA ASP A 2 -8.806 8.143 -4.315 1.00 1.00 C ATOM 13 C ASP A 2 -8.092 7.660 -3.052 1.00 1.00 C ATOM 14 O ASP A 2 -8.141 6.477 -2.720 1.00 1.00 O ATOM 15 CB ASP A 2 -7.748 8.382 -5.395 1.00 1.00 C ATOM 16 CG ASP A 2 -8.084 7.800 -6.769 1.00 1.00 C ATOM 17 OD1 ASP A 2 -8.103 8.518 -7.780 1.00 1.00 O ATOM 18 OD2 ASP A 2 -8.336 6.535 -6.779 1.00 1.00 O ATOM 0 H ASP A 2 -9.492 10.075 -4.749 1.00 1.00 H new ATOM 0 HA ASP A 2 -9.522 7.401 -4.669 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -7.594 9.456 -5.500 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -6.803 7.956 -5.058 1.00 1.00 H new ATOM 24 N ASP A 3 -7.444 8.601 -2.381 1.00 1.00 N ATOM 25 CA ASP A 3 -6.720 8.286 -1.161 1.00 1.00 C ATOM 26 C ASP A 3 -7.527 7.279 -0.340 1.00 1.00 C ATOM 27 O ASP A 3 -8.664 7.553 0.042 1.00 1.00 O ATOM 28 CB ASP A 3 -6.514 9.537 -0.304 1.00 1.00 C ATOM 29 CG ASP A 3 -6.014 9.272 1.117 1.00 1.00 C ATOM 30 OD1 ASP A 3 -5.230 8.342 1.356 1.00 1.00 O ATOM 31 OD2 ASP A 3 -6.470 10.080 2.015 1.00 1.00 O ATOM 0 H ASP A 3 -7.405 9.582 -2.659 1.00 1.00 H new ATOM 0 HA ASP A 3 -5.749 7.877 -1.441 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -5.802 10.191 -0.808 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -7.458 10.079 -0.246 1.00 1.00 H new ATOM 37 N ILE A 4 -6.908 6.134 -0.092 1.00 1.00 N ATOM 38 CA ILE A 4 -7.554 5.084 0.677 1.00 1.00 C ATOM 39 C ILE A 4 -6.882 4.974 2.047 1.00 1.00 C ATOM 40 O ILE A 4 -5.863 4.300 2.190 1.00 1.00 O ATOM 41 CB ILE A 4 -7.565 3.772 -0.110 1.00 1.00 C ATOM 42 CG1 ILE A 4 -8.788 3.692 -1.026 1.00 1.00 C ATOM 43 CG2 ILE A 4 -7.472 2.568 0.829 1.00 1.00 C ATOM 44 CD1 ILE A 4 -8.767 2.409 -1.859 1.00 1.00 C ATOM 0 H ILE A 4 -5.965 5.910 -0.410 1.00 1.00 H new ATOM 0 HA ILE A 4 -8.601 5.331 0.854 1.00 1.00 H new ATOM 0 HB ILE A 4 -6.682 3.750 -0.749 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -9.698 3.726 -0.427 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -8.809 4.558 -1.687 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -7.482 1.649 0.244 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -6.546 2.624 1.402 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -8.322 2.573 1.512 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -9.647 2.378 -2.501 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -7.868 2.390 -2.475 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -8.771 1.544 -1.195 1.00 1.00 H new ATOM 56 N VAL A 5 -7.481 5.645 3.020 1.00 1.00 N ATOM 57 CA VAL A 5 -6.953 5.631 4.374 1.00 1.00 C ATOM 58 C VAL A 5 -7.232 4.268 5.011 1.00 1.00 C ATOM 59 O VAL A 5 -8.375 3.816 5.042 1.00 1.00 O ATOM 60 CB VAL A 5 -7.537 6.796 5.175 1.00 1.00 C ATOM 61 CG1 VAL A 5 -6.818 6.953 6.517 1.00 1.00 C ATOM 62 CG2 VAL A 5 -7.485 8.096 4.370 1.00 1.00 C ATOM 0 H VAL A 5 -8.327 6.202 2.898 1.00 1.00 H new ATOM 0 HA VAL A 5 -5.872 5.770 4.364 1.00 1.00 H new ATOM 0 HB VAL A 5 -8.584 6.571 5.379 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -7.252 7.788 7.067 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -6.930 6.038 7.099 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -5.759 7.145 6.342 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -7.906 8.908 4.963 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -6.450 8.328 4.120 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -8.062 7.979 3.453 1.00 1.00 H new ATOM 72 N LEU A 6 -6.167 3.651 5.502 1.00 1.00 N ATOM 73 CA LEU A 6 -6.283 2.349 6.137 1.00 1.00 C ATOM 74 C LEU A 6 -6.407 2.534 7.651 1.00 1.00 C ATOM 75 O LEU A 6 -5.891 3.503 8.206 1.00 1.00 O ATOM 76 CB LEU A 6 -5.121 1.445 5.721 1.00 1.00 C ATOM 77 CG LEU A 6 -5.086 1.032 4.248 1.00 1.00 C ATOM 78 CD1 LEU A 6 -3.716 0.468 3.868 1.00 1.00 C ATOM 79 CD2 LEU A 6 -6.218 0.054 3.926 1.00 1.00 C ATOM 0 H LEU A 6 -5.220 4.029 5.473 1.00 1.00 H new ATOM 0 HA LEU A 6 -7.187 1.841 5.802 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -4.187 1.955 5.957 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -5.153 0.542 6.330 1.00 1.00 H new ATOM 0 HG LEU A 6 -5.247 1.922 3.640 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -3.719 0.182 2.816 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -2.951 1.226 4.036 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -3.500 -0.407 4.481 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.170 -0.224 2.873 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -6.113 -0.839 4.542 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.178 0.527 4.133 1.00 1.00 H new ATOM 91 N LYS A 7 -7.094 1.589 8.275 1.00 1.00 N ATOM 92 CA LYS A 7 -7.292 1.634 9.714 1.00 1.00 C ATOM 93 C LYS A 7 -6.002 1.204 10.416 1.00 1.00 C ATOM 94 O LYS A 7 -5.530 0.085 10.223 1.00 1.00 O ATOM 95 CB LYS A 7 -8.515 0.806 10.113 1.00 1.00 C ATOM 96 CG LYS A 7 -8.389 -0.634 9.612 1.00 1.00 C ATOM 97 CD LYS A 7 -8.936 -1.623 10.644 1.00 1.00 C ATOM 98 CE LYS A 7 -8.167 -2.945 10.596 1.00 1.00 C ATOM 99 NZ LYS A 7 -8.804 -3.880 9.642 1.00 1.00 N ATOM 0 H LYS A 7 -7.521 0.787 7.811 1.00 1.00 H new ATOM 0 HA LYS A 7 -7.507 2.653 10.037 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -8.623 0.809 11.198 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -9.416 1.260 9.702 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -8.932 -0.745 8.673 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -7.343 -0.861 9.404 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -8.862 -1.191 11.642 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -9.993 -1.806 10.453 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -7.134 -2.761 10.300 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -8.139 -3.393 11.589 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -8.270 -4.772 9.621 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -9.782 -4.069 9.941 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -8.808 -3.457 8.692 1.00 1.00 H new ATOM 112 N ALA A 8 -5.470 2.116 11.217 1.00 1.00 N ATOM 113 CA ALA A 8 -4.244 1.845 11.949 1.00 1.00 C ATOM 114 C ALA A 8 -4.099 2.859 13.085 1.00 1.00 C ATOM 115 O ALA A 8 -3.834 4.036 12.842 1.00 1.00 O ATOM 116 CB ALA A 8 -3.056 1.875 10.985 1.00 1.00 C ATOM 0 H ALA A 8 -5.865 3.043 11.375 1.00 1.00 H new ATOM 0 HA ALA A 8 -4.276 0.851 12.396 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -2.137 1.672 11.534 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -3.194 1.117 10.214 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -2.990 2.858 10.519 1.00 1.00 H new ATOM 122 N LYS A 9 -4.279 2.367 14.302 1.00 1.00 N ATOM 123 CA LYS A 9 -4.171 3.215 15.476 1.00 1.00 C ATOM 124 C LYS A 9 -2.713 3.637 15.663 1.00 1.00 C ATOM 125 O LYS A 9 -2.413 4.503 16.484 1.00 1.00 O ATOM 126 CB LYS A 9 -4.771 2.517 16.698 1.00 1.00 C ATOM 127 CG LYS A 9 -3.852 1.401 17.198 1.00 1.00 C ATOM 128 CD LYS A 9 -4.077 1.131 18.687 1.00 1.00 C ATOM 129 CE LYS A 9 -4.803 -0.199 18.900 1.00 1.00 C ATOM 130 NZ LYS A 9 -4.123 -0.999 19.944 1.00 1.00 N ATOM 0 H LYS A 9 -4.499 1.391 14.500 1.00 1.00 H new ATOM 0 HA LYS A 9 -4.752 4.127 15.342 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -4.932 3.244 17.494 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -5.746 2.103 16.442 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -4.036 0.491 16.628 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -2.812 1.678 17.028 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -3.119 1.113 19.206 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -4.661 1.942 19.123 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -5.837 -0.013 19.191 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -4.831 -0.759 17.965 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -4.628 -1.898 20.076 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -3.144 -1.192 19.651 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -4.119 -0.470 20.839 1.00 1.00 H new ATOM 143 N ASN A 10 -1.843 3.005 14.888 1.00 1.00 N ATOM 144 CA ASN A 10 -0.423 3.304 14.958 1.00 1.00 C ATOM 145 C ASN A 10 -0.103 4.464 14.013 1.00 1.00 C ATOM 146 O ASN A 10 1.050 4.878 13.901 1.00 1.00 O ATOM 147 CB ASN A 10 0.415 2.099 14.529 1.00 1.00 C ATOM 148 CG ASN A 10 0.235 0.930 15.500 1.00 1.00 C ATOM 149 OD1 ASN A 10 -0.766 0.233 15.494 1.00 1.00 O ATOM 150 ND2 ASN A 10 1.257 0.757 16.333 1.00 1.00 N ATOM 0 H ASN A 10 -2.095 2.287 14.208 1.00 1.00 H new ATOM 0 HA ASN A 10 -0.183 3.561 15.990 1.00 1.00 H new ATOM 0 HB2 ASN A 10 0.126 1.790 13.525 1.00 1.00 H new ATOM 0 HB3 ASN A 10 1.467 2.381 14.485 1.00 1.00 H new ATOM 0 HD21 ASN A 10 1.233 0.004 17.021 1.00 1.00 H new ATOM 0 HD22 ASN A 10 2.065 1.377 16.284 1.00 1.00 H new ATOM 157 N GLY A 11 -1.144 4.954 13.356 1.00 1.00 N ATOM 158 CA GLY A 11 -0.988 6.057 12.424 1.00 1.00 C ATOM 159 C GLY A 11 -1.488 5.672 11.030 1.00 1.00 C ATOM 160 O GLY A 11 -0.884 4.837 10.358 1.00 1.00 O ATOM 0 H GLY A 11 -2.099 4.607 13.451 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -1.540 6.924 12.786 1.00 1.00 H new ATOM 0 HA3 GLY A 11 0.061 6.347 12.371 1.00 1.00 H new ATOM 164 N ASP A 12 -2.587 6.299 10.636 1.00 1.00 N ATOM 165 CA ASP A 12 -3.175 6.033 9.334 1.00 1.00 C ATOM 166 C ASP A 12 -2.064 5.945 8.286 1.00 1.00 C ATOM 167 O ASP A 12 -1.018 6.578 8.430 1.00 1.00 O ATOM 168 CB ASP A 12 -4.128 7.156 8.920 1.00 1.00 C ATOM 169 CG ASP A 12 -5.615 6.819 9.042 1.00 1.00 C ATOM 170 OD1 ASP A 12 -5.993 5.653 9.230 1.00 1.00 O ATOM 171 OD2 ASP A 12 -6.413 7.827 8.934 1.00 1.00 O ATOM 0 H ASP A 12 -3.086 6.991 11.196 1.00 1.00 H new ATOM 0 HA ASP A 12 -3.729 5.096 9.399 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -3.918 8.034 9.531 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -3.916 7.429 7.886 1.00 1.00 H new ATOM 177 N VAL A 13 -2.328 5.157 7.254 1.00 1.00 N ATOM 178 CA VAL A 13 -1.364 4.978 6.182 1.00 1.00 C ATOM 179 C VAL A 13 -1.987 5.433 4.861 1.00 1.00 C ATOM 180 O VAL A 13 -2.486 4.613 4.092 1.00 1.00 O ATOM 181 CB VAL A 13 -0.882 3.526 6.148 1.00 1.00 C ATOM 182 CG1 VAL A 13 0.198 3.332 5.082 1.00 1.00 C ATOM 183 CG2 VAL A 13 -0.380 3.083 7.524 1.00 1.00 C ATOM 0 H VAL A 13 -3.197 4.635 7.138 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.482 5.594 6.355 1.00 1.00 H new ATOM 0 HB VAL A 13 -1.732 2.897 5.883 1.00 1.00 H new ATOM 0 HG11 VAL A 13 0.523 2.292 5.079 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.207 3.589 4.103 1.00 1.00 H new ATOM 0 HG13 VAL A 13 1.048 3.977 5.304 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -0.043 2.048 7.472 1.00 1.00 H new ATOM 0 HG22 VAL A 13 0.450 3.720 7.831 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -1.189 3.166 8.250 1.00 1.00 H new ATOM 193 N LYS A 14 -1.937 6.738 4.638 1.00 1.00 N ATOM 194 CA LYS A 14 -2.490 7.311 3.423 1.00 1.00 C ATOM 195 C LYS A 14 -1.808 6.678 2.209 1.00 1.00 C ATOM 196 O LYS A 14 -0.615 6.880 1.987 1.00 1.00 O ATOM 197 CB LYS A 14 -2.390 8.838 3.457 1.00 1.00 C ATOM 198 CG LYS A 14 -2.675 9.437 2.078 1.00 1.00 C ATOM 199 CD LYS A 14 -1.675 10.546 1.745 1.00 1.00 C ATOM 200 CE LYS A 14 -0.911 10.227 0.459 1.00 1.00 C ATOM 201 NZ LYS A 14 0.261 11.120 0.318 1.00 1.00 N ATOM 0 H LYS A 14 -1.522 7.415 5.278 1.00 1.00 H new ATOM 0 HA LYS A 14 -3.554 7.085 3.346 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -3.098 9.236 4.184 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -1.394 9.134 3.787 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -2.622 8.655 1.320 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -3.689 9.837 2.054 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -2.201 11.494 1.634 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -0.972 10.666 2.569 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -0.584 9.187 0.471 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -1.570 10.344 -0.401 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 0.769 10.890 -0.560 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -0.058 12.109 0.285 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 0.897 10.989 1.130 1.00 1.00 H new ATOM 214 N LEU A 15 -2.594 5.924 1.455 1.00 1.00 N ATOM 215 CA LEU A 15 -2.081 5.259 0.269 1.00 1.00 C ATOM 216 C LEU A 15 -2.617 5.965 -0.978 1.00 1.00 C ATOM 217 O LEU A 15 -3.779 5.830 -1.356 1.00 1.00 O ATOM 218 CB LEU A 15 -2.399 3.763 0.313 1.00 1.00 C ATOM 219 CG LEU A 15 -2.431 3.044 -1.037 1.00 1.00 C ATOM 220 CD1 LEU A 15 -1.055 2.476 -1.389 1.00 1.00 C ATOM 221 CD2 LEU A 15 -3.518 1.968 -1.059 1.00 1.00 C ATOM 0 H LEU A 15 -3.583 5.759 1.642 1.00 1.00 H new ATOM 0 HA LEU A 15 -0.994 5.329 0.233 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -1.659 3.273 0.946 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -3.368 3.632 0.795 1.00 1.00 H new ATOM 0 HG LEU A 15 -2.684 3.773 -1.806 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -1.106 1.970 -2.353 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -0.329 3.288 -1.443 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -0.748 1.765 -0.622 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -3.520 1.472 -2.030 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -3.320 1.235 -0.277 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -4.490 2.429 -0.886 1.00 1.00 H new ATOM 233 N PRO A 16 -1.731 6.733 -1.617 1.00 1.00 N ATOM 234 CA PRO A 16 -2.021 7.488 -2.817 1.00 1.00 C ATOM 235 C PRO A 16 -2.484 6.543 -3.916 1.00 1.00 C ATOM 236 O PRO A 16 -1.772 6.391 -4.908 1.00 1.00 O ATOM 237 CB PRO A 16 -0.699 8.155 -3.189 1.00 1.00 C ATOM 238 CG PRO A 16 0.128 8.142 -1.968 1.00 1.00 C ATOM 239 CD PRO A 16 -0.357 6.914 -1.201 1.00 1.00 C ATOM 0 HA PRO A 16 -2.814 8.222 -2.675 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -0.206 7.617 -3.998 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -0.862 9.175 -3.537 1.00 1.00 H new ATOM 0 HG2 PRO A 16 1.189 8.069 -2.206 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -0.006 9.054 -1.386 1.00 1.00 H new ATOM 0 HD2 PRO A 16 0.246 6.037 -1.437 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -0.287 7.068 -0.124 1.00 1.00 H new ATOM 247 N HIS A 17 -3.645 5.934 -3.726 1.00 1.00 N ATOM 248 CA HIS A 17 -4.176 5.011 -4.714 1.00 1.00 C ATOM 249 C HIS A 17 -3.980 5.590 -6.116 1.00 1.00 C ATOM 250 O HIS A 17 -3.393 4.943 -6.983 1.00 1.00 O ATOM 251 CB HIS A 17 -5.638 4.673 -4.412 1.00 1.00 C ATOM 252 CG HIS A 17 -6.166 3.486 -5.181 1.00 1.00 C ATOM 253 ND1 HIS A 17 -7.083 3.606 -6.210 1.00 1.00 N ATOM 254 CD2 HIS A 17 -5.895 2.154 -5.060 1.00 1.00 C ATOM 255 CE1 HIS A 17 -7.346 2.396 -6.680 1.00 1.00 C ATOM 256 NE2 HIS A 17 -6.609 1.497 -5.966 1.00 1.00 N ATOM 0 H HIS A 17 -4.233 6.062 -2.902 1.00 1.00 H new ATOM 0 HA HIS A 17 -3.628 4.070 -4.667 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -5.742 4.477 -3.345 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -6.255 5.543 -4.638 1.00 1.00 H new ATOM 0 HD1 HIS A 17 -7.488 4.479 -6.549 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -5.215 1.710 -4.348 1.00 1.00 H new ATOM 0 HE1 HIS A 17 -8.025 2.162 -7.487 1.00 1.00 H new ATOM 264 N LYS A 18 -4.481 6.803 -6.297 1.00 1.00 N ATOM 265 CA LYS A 18 -4.368 7.477 -7.579 1.00 1.00 C ATOM 266 C LYS A 18 -2.911 7.434 -8.046 1.00 1.00 C ATOM 267 O LYS A 18 -2.600 6.820 -9.065 1.00 1.00 O ATOM 268 CB LYS A 18 -4.944 8.892 -7.494 1.00 1.00 C ATOM 269 CG LYS A 18 -4.900 9.585 -8.857 1.00 1.00 C ATOM 270 CD LYS A 18 -5.693 8.796 -9.900 1.00 1.00 C ATOM 271 CE LYS A 18 -6.668 9.705 -10.651 1.00 1.00 C ATOM 272 NZ LYS A 18 -5.983 10.387 -11.771 1.00 1.00 N ATOM 0 H LYS A 18 -4.967 7.337 -5.576 1.00 1.00 H new ATOM 0 HA LYS A 18 -4.961 6.961 -8.334 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -5.973 8.849 -7.137 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -4.379 9.475 -6.767 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -5.308 10.592 -8.770 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -3.865 9.688 -9.183 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -5.007 8.330 -10.607 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -6.243 7.992 -9.412 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -7.503 9.117 -11.032 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -7.085 10.445 -9.967 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -6.659 11.000 -12.270 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -5.201 10.964 -11.400 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -5.606 9.677 -12.431 1.00 1.00 H new ATOM 285 N ALA A 19 -2.057 8.094 -7.277 1.00 1.00 N ATOM 286 CA ALA A 19 -0.641 8.139 -7.600 1.00 1.00 C ATOM 287 C ALA A 19 -0.136 6.718 -7.858 1.00 1.00 C ATOM 288 O ALA A 19 0.575 6.476 -8.832 1.00 1.00 O ATOM 289 CB ALA A 19 0.119 8.831 -6.466 1.00 1.00 C ATOM 0 H ALA A 19 -2.318 8.602 -6.432 1.00 1.00 H new ATOM 0 HA ALA A 19 -0.472 8.719 -8.507 1.00 1.00 H new ATOM 0 HB1 ALA A 19 1.181 8.865 -6.708 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -0.258 9.846 -6.342 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -0.025 8.275 -5.539 1.00 1.00 H new ATOM 295 N HIS A 20 -0.523 5.816 -6.968 1.00 1.00 N ATOM 296 CA HIS A 20 -0.118 4.425 -7.088 1.00 1.00 C ATOM 297 C HIS A 20 -0.716 3.825 -8.362 1.00 1.00 C ATOM 298 O HIS A 20 -0.166 2.878 -8.923 1.00 1.00 O ATOM 299 CB HIS A 20 -0.494 3.640 -5.830 1.00 1.00 C ATOM 300 CG HIS A 20 0.542 3.705 -4.733 1.00 1.00 C ATOM 301 ND1 HIS A 20 0.601 4.742 -3.819 1.00 1.00 N ATOM 302 CD2 HIS A 20 1.557 2.851 -4.414 1.00 1.00 C ATOM 303 CE1 HIS A 20 1.611 4.513 -2.991 1.00 1.00 C ATOM 304 NE2 HIS A 20 2.202 3.341 -3.362 1.00 1.00 N ATOM 0 H HIS A 20 -1.112 6.021 -6.161 1.00 1.00 H new ATOM 0 HA HIS A 20 0.967 4.364 -7.174 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -1.440 4.021 -5.445 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -0.657 2.597 -6.100 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -0.026 5.546 -3.787 1.00 1.00 H new ATOM 0 HD2 HIS A 20 1.795 1.932 -4.930 1.00 1.00 H new ATOM 0 HE1 HIS A 20 1.913 5.144 -2.168 1.00 1.00 H new ATOM 312 N GLN A 21 -1.833 4.400 -8.782 1.00 1.00 N ATOM 313 CA GLN A 21 -2.511 3.934 -9.979 1.00 1.00 C ATOM 314 C GLN A 21 -1.798 4.453 -11.229 1.00 1.00 C ATOM 315 O GLN A 21 -2.005 3.936 -12.326 1.00 1.00 O ATOM 316 CB GLN A 21 -3.983 4.351 -9.974 1.00 1.00 C ATOM 317 CG GLN A 21 -4.805 3.452 -9.049 1.00 1.00 C ATOM 318 CD GLN A 21 -6.140 4.107 -8.691 1.00 1.00 C ATOM 319 OE1 GLN A 21 -6.202 5.118 -8.010 1.00 1.00 O ATOM 320 NE2 GLN A 21 -7.202 3.477 -9.186 1.00 1.00 N ATOM 0 H GLN A 21 -2.286 5.185 -8.314 1.00 1.00 H new ATOM 0 HA GLN A 21 -2.477 2.845 -9.991 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -4.070 5.388 -9.650 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -4.383 4.299 -10.987 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -4.985 2.493 -9.534 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -4.241 3.248 -8.139 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -7.079 2.635 -9.749 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -8.139 3.836 -9.003 1.00 1.00 H new ATOM 329 N LYS A 22 -0.974 5.470 -11.022 1.00 1.00 N ATOM 330 CA LYS A 22 -0.229 6.065 -12.119 1.00 1.00 C ATOM 331 C LYS A 22 1.242 5.659 -12.010 1.00 1.00 C ATOM 332 O LYS A 22 1.971 5.682 -13.001 1.00 1.00 O ATOM 333 CB LYS A 22 -0.448 7.578 -12.156 1.00 1.00 C ATOM 334 CG LYS A 22 -1.190 7.994 -13.428 1.00 1.00 C ATOM 335 CD LYS A 22 -1.530 9.486 -13.402 1.00 1.00 C ATOM 336 CE LYS A 22 -1.109 10.167 -14.705 1.00 1.00 C ATOM 337 NZ LYS A 22 -2.215 10.133 -15.689 1.00 1.00 N ATOM 0 H LYS A 22 -0.806 5.897 -10.111 1.00 1.00 H new ATOM 0 HA LYS A 22 -0.594 5.690 -13.075 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -1.018 7.888 -11.280 1.00 1.00 H new ATOM 0 HB3 LYS A 22 0.513 8.089 -12.108 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -0.575 7.773 -14.301 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -2.105 7.410 -13.527 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -2.601 9.616 -13.249 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -1.028 9.962 -12.560 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -0.823 11.200 -14.506 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -0.232 9.667 -15.117 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -1.912 10.600 -16.568 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -2.469 9.145 -15.891 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -3.041 10.630 -15.300 1.00 1.00 H new ATOM 350 N ALA A 23 1.635 5.296 -10.798 1.00 1.00 N ATOM 351 CA ALA A 23 3.006 4.886 -10.547 1.00 1.00 C ATOM 352 C ALA A 23 3.156 3.398 -10.871 1.00 1.00 C ATOM 353 O ALA A 23 4.256 2.930 -11.160 1.00 1.00 O ATOM 354 CB ALA A 23 3.378 5.207 -9.098 1.00 1.00 C ATOM 0 H ALA A 23 1.028 5.277 -9.979 1.00 1.00 H new ATOM 0 HA ALA A 23 3.694 5.435 -11.190 1.00 1.00 H new ATOM 0 HB1 ALA A 23 4.407 4.899 -8.910 1.00 1.00 H new ATOM 0 HB2 ALA A 23 3.283 6.279 -8.927 1.00 1.00 H new ATOM 0 HB3 ALA A 23 2.710 4.671 -8.424 1.00 1.00 H new ATOM 360 N VAL A 24 2.034 2.697 -10.813 1.00 1.00 N ATOM 361 CA VAL A 24 2.027 1.271 -11.097 1.00 1.00 C ATOM 362 C VAL A 24 1.073 0.993 -12.260 1.00 1.00 C ATOM 363 O VAL A 24 -0.101 0.678 -12.080 1.00 1.00 O ATOM 364 CB VAL A 24 1.672 0.488 -9.832 1.00 1.00 C ATOM 365 CG1 VAL A 24 1.278 -0.951 -10.171 1.00 1.00 C ATOM 366 CG2 VAL A 24 2.825 0.518 -8.827 1.00 1.00 C ATOM 0 H VAL A 24 1.123 3.089 -10.574 1.00 1.00 H new ATOM 0 HA VAL A 24 3.018 0.937 -11.402 1.00 1.00 H new ATOM 0 HB VAL A 24 0.812 0.971 -9.369 1.00 1.00 H new ATOM 0 HG11 VAL A 24 1.030 -1.486 -9.254 1.00 1.00 H new ATOM 0 HG12 VAL A 24 0.412 -0.945 -10.833 1.00 1.00 H new ATOM 0 HG13 VAL A 24 2.111 -1.449 -10.668 1.00 1.00 H new ATOM 0 HG21 VAL A 24 2.547 -0.046 -7.937 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.712 0.071 -9.277 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.040 1.550 -8.550 1.00 1.00 H new ATOM 376 N PRO A 25 1.613 1.117 -13.475 1.00 1.00 N ATOM 377 CA PRO A 25 0.895 0.899 -14.712 1.00 1.00 C ATOM 378 C PRO A 25 0.520 -0.571 -14.833 1.00 1.00 C ATOM 379 O PRO A 25 0.873 -1.194 -15.832 1.00 1.00 O ATOM 380 CB PRO A 25 1.876 1.305 -15.810 1.00 1.00 C ATOM 381 CG PRO A 25 2.990 2.090 -15.125 1.00 1.00 C ATOM 382 CD PRO A 25 2.990 1.486 -13.723 1.00 1.00 C ATOM 0 HA PRO A 25 -0.032 1.470 -14.771 1.00 1.00 H new ATOM 0 HB2 PRO A 25 2.275 0.427 -16.318 1.00 1.00 H new ATOM 0 HB3 PRO A 25 1.381 1.913 -16.567 1.00 1.00 H new ATOM 0 HG2 PRO A 25 3.949 1.958 -15.626 1.00 1.00 H new ATOM 0 HG3 PRO A 25 2.784 3.160 -15.108 1.00 1.00 H new ATOM 0 HD2 PRO A 25 3.647 0.618 -13.667 1.00 1.00 H new ATOM 0 HD3 PRO A 25 3.346 2.204 -12.984 1.00 1.00 H new ATOM 390 N ASP A 26 -0.176 -1.090 -13.832 1.00 1.00 N ATOM 391 CA ASP A 26 -0.583 -2.484 -13.847 1.00 1.00 C ATOM 392 C ASP A 26 -1.419 -2.781 -12.600 1.00 1.00 C ATOM 393 O ASP A 26 -0.892 -3.252 -11.593 1.00 1.00 O ATOM 394 CB ASP A 26 0.632 -3.414 -13.834 1.00 1.00 C ATOM 395 CG ASP A 26 0.912 -4.131 -15.156 1.00 1.00 C ATOM 396 OD1 ASP A 26 0.004 -4.343 -15.972 1.00 1.00 O ATOM 397 OD2 ASP A 26 2.140 -4.482 -15.336 1.00 1.00 O ATOM 0 H ASP A 26 -0.468 -0.569 -13.005 1.00 1.00 H new ATOM 0 HA ASP A 26 -1.159 -2.656 -14.756 1.00 1.00 H new ATOM 0 HB2 ASP A 26 1.512 -2.833 -13.560 1.00 1.00 H new ATOM 0 HB3 ASP A 26 0.489 -4.163 -13.055 1.00 1.00 H new ATOM 403 N CYS A 27 -2.708 -2.493 -12.708 1.00 1.00 N ATOM 404 CA CYS A 27 -3.621 -2.723 -11.602 1.00 1.00 C ATOM 405 C CYS A 27 -3.810 -4.233 -11.441 1.00 1.00 C ATOM 406 O CYS A 27 -4.923 -4.741 -11.574 1.00 1.00 O ATOM 407 CB CYS A 27 -4.954 -2.000 -11.809 1.00 1.00 C ATOM 408 SG CYS A 27 -4.838 -0.428 -12.737 1.00 1.00 S ATOM 0 H CYS A 27 -3.141 -2.102 -13.545 1.00 1.00 H new ATOM 0 HA CYS A 27 -3.198 -2.311 -10.686 1.00 1.00 H new ATOM 0 HB2 CYS A 27 -5.635 -2.668 -12.337 1.00 1.00 H new ATOM 0 HB3 CYS A 27 -5.397 -1.798 -10.834 1.00 1.00 H new ATOM 413 N LYS A 28 -2.706 -4.908 -11.158 1.00 1.00 N ATOM 414 CA LYS A 28 -2.736 -6.350 -10.977 1.00 1.00 C ATOM 415 C LYS A 28 -1.783 -6.738 -9.845 1.00 1.00 C ATOM 416 O LYS A 28 -2.161 -7.476 -8.936 1.00 1.00 O ATOM 417 CB LYS A 28 -2.443 -7.062 -12.300 1.00 1.00 C ATOM 418 CG LYS A 28 -1.437 -6.269 -13.137 1.00 1.00 C ATOM 419 CD LYS A 28 -1.112 -7.001 -14.441 1.00 1.00 C ATOM 420 CE LYS A 28 0.192 -7.792 -14.315 1.00 1.00 C ATOM 421 NZ LYS A 28 0.111 -9.052 -15.087 1.00 1.00 N ATOM 0 H LYS A 28 -1.785 -4.484 -11.049 1.00 1.00 H new ATOM 0 HA LYS A 28 -3.733 -6.676 -10.680 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -2.051 -8.059 -12.101 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -3.369 -7.190 -12.861 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -1.842 -5.282 -13.361 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -0.522 -6.116 -12.564 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -1.928 -7.677 -14.696 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -1.028 -6.281 -15.255 1.00 1.00 H new ATOM 0 HE2 LYS A 28 1.026 -7.190 -14.677 1.00 1.00 H new ATOM 0 HE3 LYS A 28 0.390 -8.013 -13.266 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 1.004 -9.576 -14.991 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -0.672 -9.632 -14.724 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -0.056 -8.834 -16.090 1.00 1.00 H new ATOM 434 N LYS A 29 -0.566 -6.223 -9.937 1.00 1.00 N ATOM 435 CA LYS A 29 0.444 -6.506 -8.932 1.00 1.00 C ATOM 436 C LYS A 29 -0.108 -6.160 -7.548 1.00 1.00 C ATOM 437 O LYS A 29 0.402 -6.636 -6.535 1.00 1.00 O ATOM 438 CB LYS A 29 1.752 -5.787 -9.269 1.00 1.00 C ATOM 439 CG LYS A 29 2.686 -5.751 -8.058 1.00 1.00 C ATOM 440 CD LYS A 29 3.277 -7.134 -7.779 1.00 1.00 C ATOM 441 CE LYS A 29 4.728 -7.025 -7.307 1.00 1.00 C ATOM 442 NZ LYS A 29 5.631 -7.737 -8.239 1.00 1.00 N ATOM 0 H LYS A 29 -0.257 -5.611 -10.692 1.00 1.00 H new ATOM 0 HA LYS A 29 0.684 -7.569 -8.923 1.00 1.00 H new ATOM 0 HB2 LYS A 29 2.246 -6.293 -10.099 1.00 1.00 H new ATOM 0 HB3 LYS A 29 1.538 -4.770 -9.598 1.00 1.00 H new ATOM 0 HG2 LYS A 29 3.490 -5.037 -8.236 1.00 1.00 H new ATOM 0 HG3 LYS A 29 2.138 -5.402 -7.182 1.00 1.00 H new ATOM 0 HD2 LYS A 29 2.681 -7.642 -7.020 1.00 1.00 H new ATOM 0 HD3 LYS A 29 3.229 -7.743 -8.682 1.00 1.00 H new ATOM 0 HE2 LYS A 29 5.017 -5.976 -7.241 1.00 1.00 H new ATOM 0 HE3 LYS A 29 4.824 -7.446 -6.306 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 6.612 -7.653 -7.904 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 5.364 -8.741 -8.282 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 5.552 -7.317 -9.187 1.00 1.00 H new ATOM 455 N CYS A 30 -1.144 -5.333 -7.549 1.00 1.00 N ATOM 456 CA CYS A 30 -1.772 -4.918 -6.306 1.00 1.00 C ATOM 457 C CYS A 30 -3.133 -5.608 -6.201 1.00 1.00 C ATOM 458 O CYS A 30 -3.581 -5.942 -5.105 1.00 1.00 O ATOM 459 CB CYS A 30 -1.895 -3.396 -6.216 1.00 1.00 C ATOM 460 SG CYS A 30 -0.652 -2.734 -5.048 1.00 1.00 S ATOM 0 H CYS A 30 -1.564 -4.939 -8.391 1.00 1.00 H new ATOM 0 HA CYS A 30 -1.149 -5.217 -5.463 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -1.752 -2.953 -7.201 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -2.897 -3.123 -5.886 1.00 1.00 H new ATOM 465 N HIS A 31 -3.753 -5.803 -7.356 1.00 1.00 N ATOM 466 CA HIS A 31 -5.054 -6.447 -7.407 1.00 1.00 C ATOM 467 C HIS A 31 -4.917 -7.831 -8.046 1.00 1.00 C ATOM 468 O HIS A 31 -4.680 -7.943 -9.248 1.00 1.00 O ATOM 469 CB HIS A 31 -6.072 -5.560 -8.127 1.00 1.00 C ATOM 470 CG HIS A 31 -6.471 -4.329 -7.350 1.00 1.00 C ATOM 471 ND1 HIS A 31 -7.281 -4.380 -6.229 1.00 1.00 N ATOM 472 CD2 HIS A 31 -6.164 -3.014 -7.544 1.00 1.00 C ATOM 473 CE1 HIS A 31 -7.448 -3.145 -5.777 1.00 1.00 C ATOM 474 NE2 HIS A 31 -6.755 -2.301 -6.594 1.00 1.00 N ATOM 0 H HIS A 31 -3.378 -5.526 -8.263 1.00 1.00 H new ATOM 0 HA HIS A 31 -5.434 -6.588 -6.395 1.00 1.00 H new ATOM 0 HB2 HIS A 31 -5.656 -5.253 -9.087 1.00 1.00 H new ATOM 0 HB3 HIS A 31 -6.965 -6.148 -8.340 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -7.681 -5.224 -5.820 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -5.545 -2.620 -8.336 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -8.030 -2.858 -4.914 1.00 1.00 H new ATOM 482 N GLU A 32 -5.070 -8.850 -7.214 1.00 1.00 N ATOM 483 CA GLU A 32 -4.966 -10.221 -7.682 1.00 1.00 C ATOM 484 C GLU A 32 -6.192 -10.591 -8.520 1.00 1.00 C ATOM 485 O GLU A 32 -6.267 -10.253 -9.700 1.00 1.00 O ATOM 486 CB GLU A 32 -4.791 -11.189 -6.510 1.00 1.00 C ATOM 487 CG GLU A 32 -4.846 -12.642 -6.986 1.00 1.00 C ATOM 488 CD GLU A 32 -3.621 -13.423 -6.504 1.00 1.00 C ATOM 489 OE1 GLU A 32 -2.583 -12.820 -6.198 1.00 1.00 O ATOM 490 OE2 GLU A 32 -3.777 -14.703 -6.453 1.00 1.00 O ATOM 0 H GLU A 32 -5.265 -8.753 -6.218 1.00 1.00 H new ATOM 0 HA GLU A 32 -4.081 -10.302 -8.313 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -3.837 -11.000 -6.017 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -5.572 -11.015 -5.770 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -5.754 -13.116 -6.614 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -4.895 -12.670 -8.075 1.00 1.00 H new ATOM 498 N LYS A 33 -7.124 -11.279 -7.876 1.00 1.00 N ATOM 499 CA LYS A 33 -8.343 -11.697 -8.547 1.00 1.00 C ATOM 500 C LYS A 33 -8.814 -10.582 -9.482 1.00 1.00 C ATOM 501 O LYS A 33 -9.433 -10.849 -10.510 1.00 1.00 O ATOM 502 CB LYS A 33 -9.396 -12.129 -7.524 1.00 1.00 C ATOM 503 CG LYS A 33 -9.040 -13.484 -6.909 1.00 1.00 C ATOM 504 CD LYS A 33 -8.395 -13.309 -5.532 1.00 1.00 C ATOM 505 CE LYS A 33 -9.174 -14.075 -4.461 1.00 1.00 C ATOM 506 NZ LYS A 33 -10.413 -13.349 -4.103 1.00 1.00 N ATOM 0 H LYS A 33 -7.059 -11.557 -6.897 1.00 1.00 H new ATOM 0 HA LYS A 33 -8.156 -12.574 -9.167 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -9.474 -11.378 -6.738 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -10.372 -12.189 -8.005 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -9.939 -14.094 -6.819 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -8.357 -14.019 -7.569 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -7.365 -13.664 -5.561 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -8.360 -12.250 -5.274 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -9.422 -15.072 -4.826 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -8.553 -14.206 -3.575 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -10.930 -13.882 -3.375 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -10.170 -12.407 -3.735 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -11.012 -13.246 -4.947 1.00 1.00 H new ATOM 519 N GLY A 34 -8.503 -9.355 -9.091 1.00 1.00 N ATOM 520 CA GLY A 34 -8.887 -8.198 -9.881 1.00 1.00 C ATOM 521 C GLY A 34 -9.087 -6.968 -8.992 1.00 1.00 C ATOM 522 O GLY A 34 -8.998 -7.027 -7.768 1.00 1.00 O ATOM 0 H GLY A 34 -7.989 -9.137 -8.237 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -8.119 -7.991 -10.626 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -9.808 -8.413 -10.423 1.00 1.00 H new ATOM 526 N PRO A 35 -9.364 -5.838 -9.647 1.00 1.00 N ATOM 527 CA PRO A 35 -9.591 -4.560 -9.007 1.00 1.00 C ATOM 528 C PRO A 35 -10.706 -4.694 -7.980 1.00 1.00 C ATOM 529 O PRO A 35 -11.815 -5.075 -8.353 1.00 1.00 O ATOM 530 CB PRO A 35 -10.002 -3.622 -10.141 1.00 1.00 C ATOM 531 CG PRO A 35 -9.350 -4.241 -11.383 1.00 1.00 C ATOM 532 CD PRO A 35 -9.476 -5.734 -11.085 1.00 1.00 C ATOM 0 HA PRO A 35 -8.713 -4.189 -8.478 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -11.086 -3.569 -10.243 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -9.648 -2.606 -9.968 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -9.868 -3.961 -12.300 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -8.311 -3.932 -11.497 1.00 1.00 H new ATOM 0 HD2 PRO A 35 -10.430 -6.128 -11.436 1.00 1.00 H new ATOM 0 HD3 PRO A 35 -8.692 -6.304 -11.584 1.00 1.00 H new ATOM 540 N GLY A 36 -10.400 -4.388 -6.728 1.00 1.00 N ATOM 541 CA GLY A 36 -11.391 -4.484 -5.670 1.00 1.00 C ATOM 542 C GLY A 36 -10.742 -4.889 -4.345 1.00 1.00 C ATOM 543 O GLY A 36 -9.554 -4.651 -4.133 1.00 1.00 O ATOM 0 H GLY A 36 -9.479 -4.073 -6.422 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -11.897 -3.526 -5.553 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -12.152 -5.215 -5.945 1.00 1.00 H new ATOM 547 N LYS A 37 -11.550 -5.495 -3.487 1.00 1.00 N ATOM 548 CA LYS A 37 -11.069 -5.936 -2.189 1.00 1.00 C ATOM 549 C LYS A 37 -9.996 -7.008 -2.385 1.00 1.00 C ATOM 550 O LYS A 37 -10.030 -7.755 -3.362 1.00 1.00 O ATOM 551 CB LYS A 37 -12.238 -6.388 -1.310 1.00 1.00 C ATOM 552 CG LYS A 37 -12.658 -7.819 -1.651 1.00 1.00 C ATOM 553 CD LYS A 37 -13.734 -8.319 -0.685 1.00 1.00 C ATOM 554 CE LYS A 37 -13.835 -9.845 -0.720 1.00 1.00 C ATOM 555 NZ LYS A 37 -14.299 -10.304 -2.048 1.00 1.00 N ATOM 0 H LYS A 37 -12.535 -5.691 -3.666 1.00 1.00 H new ATOM 0 HA LYS A 37 -10.600 -5.110 -1.655 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -11.952 -6.329 -0.260 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -13.084 -5.714 -1.448 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -13.035 -7.857 -2.673 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -11.790 -8.477 -1.607 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -13.501 -7.989 0.327 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -14.697 -7.881 -0.949 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -12.863 -10.285 -0.496 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -14.525 -10.187 0.051 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -14.459 -11.331 -2.024 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -15.187 -9.821 -2.292 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -13.577 -10.083 -2.763 1.00 1.00 H new ATOM 568 N ILE A 38 -9.068 -7.051 -1.440 1.00 1.00 N ATOM 569 CA ILE A 38 -7.987 -8.019 -1.497 1.00 1.00 C ATOM 570 C ILE A 38 -8.138 -9.014 -0.344 1.00 1.00 C ATOM 571 O ILE A 38 -8.376 -8.617 0.796 1.00 1.00 O ATOM 572 CB ILE A 38 -6.632 -7.309 -1.522 1.00 1.00 C ATOM 573 CG1 ILE A 38 -6.619 -6.190 -2.565 1.00 1.00 C ATOM 574 CG2 ILE A 38 -5.493 -8.308 -1.738 1.00 1.00 C ATOM 575 CD1 ILE A 38 -5.400 -5.284 -2.382 1.00 1.00 C ATOM 0 H ILE A 38 -9.043 -6.431 -0.631 1.00 1.00 H new ATOM 0 HA ILE A 38 -8.038 -8.592 -2.423 1.00 1.00 H new ATOM 0 HB ILE A 38 -6.472 -6.844 -0.549 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -6.609 -6.621 -3.566 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -7.531 -5.599 -2.481 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -4.541 -7.777 -1.752 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.490 -9.037 -0.928 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.635 -8.822 -2.689 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -5.415 -4.497 -3.136 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.426 -4.835 -1.389 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.489 -5.873 -2.490 1.00 1.00 H new ATOM 587 N GLU A 39 -7.993 -10.287 -0.680 1.00 1.00 N ATOM 588 CA GLU A 39 -8.111 -11.342 0.313 1.00 1.00 C ATOM 589 C GLU A 39 -6.724 -11.826 0.740 1.00 1.00 C ATOM 590 O GLU A 39 -6.009 -12.444 -0.047 1.00 1.00 O ATOM 591 CB GLU A 39 -8.958 -12.501 -0.216 1.00 1.00 C ATOM 592 CG GLU A 39 -9.332 -13.465 0.911 1.00 1.00 C ATOM 593 CD GLU A 39 -9.380 -14.909 0.405 1.00 1.00 C ATOM 594 OE1 GLU A 39 -8.339 -15.469 0.031 1.00 1.00 O ATOM 595 OE2 GLU A 39 -10.551 -15.449 0.409 1.00 1.00 O ATOM 0 H GLU A 39 -7.795 -10.612 -1.626 1.00 1.00 H new ATOM 0 HA GLU A 39 -8.618 -10.936 1.188 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -9.863 -12.112 -0.682 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -8.406 -13.036 -0.989 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -8.606 -13.383 1.720 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -10.302 -13.188 1.324 1.00 1.00 H new ATOM 603 N GLY A 40 -6.385 -11.527 1.985 1.00 1.00 N ATOM 604 CA GLY A 40 -5.096 -11.924 2.526 1.00 1.00 C ATOM 605 C GLY A 40 -4.373 -10.730 3.153 1.00 1.00 C ATOM 606 O GLY A 40 -3.779 -10.852 4.223 1.00 1.00 O ATOM 0 H GLY A 40 -6.981 -11.014 2.635 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -5.236 -12.703 3.275 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -4.481 -12.351 1.734 1.00 1.00 H new ATOM 610 N PHE A 41 -4.449 -9.603 2.460 1.00 1.00 N ATOM 611 CA PHE A 41 -3.809 -8.388 2.935 1.00 1.00 C ATOM 612 C PHE A 41 -4.530 -7.834 4.165 1.00 1.00 C ATOM 613 O PHE A 41 -5.751 -7.936 4.272 1.00 1.00 O ATOM 614 CB PHE A 41 -3.897 -7.364 1.802 1.00 1.00 C ATOM 615 CG PHE A 41 -3.180 -6.045 2.099 1.00 1.00 C ATOM 616 CD1 PHE A 41 -3.690 -5.187 3.023 1.00 1.00 C ATOM 617 CD2 PHE A 41 -2.034 -5.731 1.438 1.00 1.00 C ATOM 618 CE1 PHE A 41 -3.024 -3.963 3.298 1.00 1.00 C ATOM 619 CE2 PHE A 41 -1.369 -4.507 1.713 1.00 1.00 C ATOM 620 CZ PHE A 41 -1.878 -3.649 2.638 1.00 1.00 C ATOM 0 H PHE A 41 -4.944 -9.506 1.573 1.00 1.00 H new ATOM 0 HA PHE A 41 -2.777 -8.596 3.216 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -3.473 -7.801 0.898 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -4.947 -7.156 1.594 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -4.601 -5.436 3.547 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -1.630 -6.412 0.704 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -3.428 -3.282 4.032 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -0.459 -4.257 1.188 1.00 1.00 H new ATOM 0 HZ PHE A 41 -1.372 -2.718 2.848 1.00 1.00 H new ATOM 630 N GLY A 42 -3.744 -7.259 5.063 1.00 1.00 N ATOM 631 CA GLY A 42 -4.292 -6.688 6.282 1.00 1.00 C ATOM 632 C GLY A 42 -3.210 -5.960 7.082 1.00 1.00 C ATOM 633 O GLY A 42 -3.474 -4.924 7.691 1.00 1.00 O ATOM 0 H GLY A 42 -2.732 -7.176 4.971 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -5.095 -5.994 6.034 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -4.731 -7.477 6.892 1.00 1.00 H new ATOM 637 N LYS A 43 -2.014 -6.531 7.055 1.00 1.00 N ATOM 638 CA LYS A 43 -0.891 -5.949 7.769 1.00 1.00 C ATOM 639 C LYS A 43 0.414 -6.506 7.199 1.00 1.00 C ATOM 640 O LYS A 43 1.075 -5.850 6.396 1.00 1.00 O ATOM 641 CB LYS A 43 -1.046 -6.165 9.276 1.00 1.00 C ATOM 642 CG LYS A 43 -0.115 -5.238 10.061 1.00 1.00 C ATOM 643 CD LYS A 43 0.629 -6.007 11.155 1.00 1.00 C ATOM 644 CE LYS A 43 0.141 -5.593 12.545 1.00 1.00 C ATOM 645 NZ LYS A 43 -0.917 -6.514 13.017 1.00 1.00 N ATOM 0 H LYS A 43 -1.799 -7.391 6.550 1.00 1.00 H new ATOM 0 HA LYS A 43 -0.866 -4.869 7.625 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -2.080 -5.981 9.569 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -0.824 -7.203 9.523 1.00 1.00 H new ATOM 0 HG2 LYS A 43 0.603 -4.778 9.382 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -0.693 -4.430 10.509 1.00 1.00 H new ATOM 0 HD2 LYS A 43 0.480 -7.078 11.017 1.00 1.00 H new ATOM 0 HD3 LYS A 43 1.700 -5.821 11.071 1.00 1.00 H new ATOM 0 HE2 LYS A 43 0.975 -5.598 13.246 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -0.243 -4.573 12.514 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -1.238 -6.220 13.962 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -1.719 -6.489 12.356 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -0.539 -7.481 13.066 1.00 1.00 H new ATOM 658 N GLU A 44 0.747 -7.712 7.636 1.00 1.00 N ATOM 659 CA GLU A 44 1.962 -8.365 7.179 1.00 1.00 C ATOM 660 C GLU A 44 2.228 -8.023 5.712 1.00 1.00 C ATOM 661 O GLU A 44 3.307 -7.541 5.369 1.00 1.00 O ATOM 662 CB GLU A 44 1.881 -9.879 7.384 1.00 1.00 C ATOM 663 CG GLU A 44 2.724 -10.619 6.343 1.00 1.00 C ATOM 664 CD GLU A 44 3.422 -11.831 6.964 1.00 1.00 C ATOM 665 OE1 GLU A 44 4.267 -11.670 7.856 1.00 1.00 O ATOM 666 OE2 GLU A 44 3.056 -12.973 6.488 1.00 1.00 O ATOM 0 H GLU A 44 0.196 -8.254 8.302 1.00 1.00 H new ATOM 0 HA GLU A 44 2.797 -7.996 7.775 1.00 1.00 H new ATOM 0 HB2 GLU A 44 2.228 -10.133 8.386 1.00 1.00 H new ATOM 0 HB3 GLU A 44 0.843 -10.204 7.314 1.00 1.00 H new ATOM 0 HG2 GLU A 44 2.088 -10.943 5.519 1.00 1.00 H new ATOM 0 HG3 GLU A 44 3.468 -9.942 5.924 1.00 1.00 H new ATOM 674 N MET A 45 1.227 -8.287 4.885 1.00 1.00 N ATOM 675 CA MET A 45 1.339 -8.013 3.462 1.00 1.00 C ATOM 676 C MET A 45 1.931 -6.624 3.216 1.00 1.00 C ATOM 677 O MET A 45 2.878 -6.477 2.445 1.00 1.00 O ATOM 678 CB MET A 45 -0.044 -8.101 2.815 1.00 1.00 C ATOM 679 CG MET A 45 -0.434 -9.557 2.549 1.00 1.00 C ATOM 680 SD MET A 45 0.736 -10.307 1.429 1.00 1.00 S ATOM 681 CE MET A 45 -0.107 -10.045 -0.122 1.00 1.00 C ATOM 0 H MET A 45 0.334 -8.688 5.173 1.00 1.00 H new ATOM 0 HA MET A 45 2.005 -8.754 3.019 1.00 1.00 H new ATOM 0 HB2 MET A 45 -0.784 -7.636 3.466 1.00 1.00 H new ATOM 0 HB3 MET A 45 -0.047 -7.543 1.879 1.00 1.00 H new ATOM 0 HG2 MET A 45 -0.460 -10.112 3.487 1.00 1.00 H new ATOM 0 HG3 MET A 45 -1.437 -9.602 2.124 1.00 1.00 H new ATOM 0 HE1 MET A 45 0.491 -10.457 -0.935 1.00 1.00 H new ATOM 0 HE2 MET A 45 -1.077 -10.542 -0.097 1.00 1.00 H new ATOM 0 HE3 MET A 45 -0.250 -8.976 -0.282 1.00 1.00 H new ATOM 691 N ALA A 46 1.349 -5.641 3.886 1.00 1.00 N ATOM 692 CA ALA A 46 1.807 -4.268 3.749 1.00 1.00 C ATOM 693 C ALA A 46 3.264 -4.174 4.204 1.00 1.00 C ATOM 694 O ALA A 46 4.098 -3.592 3.512 1.00 1.00 O ATOM 695 CB ALA A 46 0.886 -3.341 4.545 1.00 1.00 C ATOM 0 H ALA A 46 0.564 -5.767 4.525 1.00 1.00 H new ATOM 0 HA ALA A 46 1.766 -3.951 2.707 1.00 1.00 H new ATOM 0 HB1 ALA A 46 1.229 -2.312 4.443 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -0.132 -3.424 4.164 1.00 1.00 H new ATOM 0 HB3 ALA A 46 0.904 -3.626 5.597 1.00 1.00 H new ATOM 701 N HIS A 47 3.527 -4.755 5.366 1.00 1.00 N ATOM 702 CA HIS A 47 4.869 -4.744 5.922 1.00 1.00 C ATOM 703 C HIS A 47 5.786 -5.619 5.065 1.00 1.00 C ATOM 704 O HIS A 47 6.991 -5.683 5.306 1.00 1.00 O ATOM 705 CB HIS A 47 4.852 -5.165 7.393 1.00 1.00 C ATOM 706 CG HIS A 47 4.046 -4.250 8.284 1.00 1.00 C ATOM 707 ND1 HIS A 47 3.176 -4.722 9.251 1.00 1.00 N ATOM 708 CD2 HIS A 47 3.988 -2.889 8.344 1.00 1.00 C ATOM 709 CE1 HIS A 47 2.624 -3.682 9.860 1.00 1.00 C ATOM 710 NE2 HIS A 47 3.128 -2.547 9.296 1.00 1.00 N ATOM 0 H HIS A 47 2.833 -5.236 5.937 1.00 1.00 H new ATOM 0 HA HIS A 47 5.267 -3.730 5.900 1.00 1.00 H new ATOM 0 HB2 HIS A 47 4.449 -6.175 7.467 1.00 1.00 H new ATOM 0 HB3 HIS A 47 5.877 -5.204 7.761 1.00 1.00 H new ATOM 0 HD1 HIS A 47 2.991 -5.703 9.460 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.547 -2.205 7.722 1.00 1.00 H new ATOM 0 HE1 HIS A 47 1.902 -3.726 10.662 1.00 1.00 H new ATOM 718 N GLY A 48 5.182 -6.271 4.083 1.00 1.00 N ATOM 719 CA GLY A 48 5.929 -7.139 3.190 1.00 1.00 C ATOM 720 C GLY A 48 5.349 -7.100 1.774 1.00 1.00 C ATOM 721 O GLY A 48 5.016 -6.030 1.266 1.00 1.00 O ATOM 0 H GLY A 48 4.183 -6.215 3.886 1.00 1.00 H new ATOM 0 HA2 GLY A 48 6.974 -6.830 3.167 1.00 1.00 H new ATOM 0 HA3 GLY A 48 5.907 -8.161 3.568 1.00 1.00 H new ATOM 725 N LYS A 49 5.246 -8.278 1.178 1.00 1.00 N ATOM 726 CA LYS A 49 4.712 -8.392 -0.168 1.00 1.00 C ATOM 727 C LYS A 49 3.288 -7.834 -0.196 1.00 1.00 C ATOM 728 O LYS A 49 2.320 -8.589 -0.106 1.00 1.00 O ATOM 729 CB LYS A 49 4.818 -9.835 -0.667 1.00 1.00 C ATOM 730 CG LYS A 49 5.685 -9.918 -1.924 1.00 1.00 C ATOM 731 CD LYS A 49 5.523 -11.274 -2.614 1.00 1.00 C ATOM 732 CE LYS A 49 4.575 -11.172 -3.810 1.00 1.00 C ATOM 733 NZ LYS A 49 5.146 -11.865 -4.985 1.00 1.00 N ATOM 0 H LYS A 49 5.524 -9.163 1.603 1.00 1.00 H new ATOM 0 HA LYS A 49 5.302 -7.795 -0.864 1.00 1.00 H new ATOM 0 HB2 LYS A 49 5.244 -10.464 0.115 1.00 1.00 H new ATOM 0 HB3 LYS A 49 3.822 -10.224 -0.881 1.00 1.00 H new ATOM 0 HG2 LYS A 49 5.409 -9.120 -2.613 1.00 1.00 H new ATOM 0 HG3 LYS A 49 6.731 -9.763 -1.659 1.00 1.00 H new ATOM 0 HD2 LYS A 49 6.496 -11.635 -2.947 1.00 1.00 H new ATOM 0 HD3 LYS A 49 5.138 -12.004 -1.902 1.00 1.00 H new ATOM 0 HE2 LYS A 49 3.610 -11.611 -3.555 1.00 1.00 H new ATOM 0 HE3 LYS A 49 4.395 -10.124 -4.050 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 4.489 -11.786 -5.788 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 6.056 -11.428 -5.237 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 5.295 -12.869 -4.757 1.00 1.00 H new ATOM 746 N GLY A 50 3.204 -6.518 -0.321 1.00 1.00 N ATOM 747 CA GLY A 50 1.914 -5.851 -0.362 1.00 1.00 C ATOM 748 C GLY A 50 2.084 -4.337 -0.505 1.00 1.00 C ATOM 749 O GLY A 50 1.389 -3.702 -1.297 1.00 1.00 O ATOM 0 H GLY A 50 4.009 -5.895 -0.395 1.00 1.00 H new ATOM 0 HA2 GLY A 50 1.328 -6.235 -1.197 1.00 1.00 H new ATOM 0 HA3 GLY A 50 1.356 -6.074 0.548 1.00 1.00 H new ATOM 753 N CYS A 51 3.012 -3.802 0.275 1.00 1.00 N ATOM 754 CA CYS A 51 3.282 -2.374 0.246 1.00 1.00 C ATOM 755 C CYS A 51 4.795 -2.170 0.340 1.00 1.00 C ATOM 756 O CYS A 51 5.392 -1.521 -0.517 1.00 1.00 O ATOM 757 CB CYS A 51 2.535 -1.635 1.358 1.00 1.00 C ATOM 758 SG CYS A 51 0.739 -1.974 1.434 1.00 1.00 S ATOM 0 H CYS A 51 3.586 -4.331 0.931 1.00 1.00 H new ATOM 0 HA CYS A 51 2.917 -1.950 -0.690 1.00 1.00 H new ATOM 0 HB2 CYS A 51 2.982 -1.902 2.316 1.00 1.00 H new ATOM 0 HB3 CYS A 51 2.683 -0.563 1.225 1.00 1.00 H new ATOM 763 N LYS A 52 5.372 -2.735 1.390 1.00 1.00 N ATOM 764 CA LYS A 52 6.804 -2.623 1.608 1.00 1.00 C ATOM 765 C LYS A 52 7.542 -3.450 0.553 1.00 1.00 C ATOM 766 O LYS A 52 8.454 -2.952 -0.105 1.00 1.00 O ATOM 767 CB LYS A 52 7.159 -3.004 3.047 1.00 1.00 C ATOM 768 CG LYS A 52 7.896 -1.862 3.750 1.00 1.00 C ATOM 769 CD LYS A 52 9.411 -2.010 3.598 1.00 1.00 C ATOM 770 CE LYS A 52 9.998 -2.840 4.741 1.00 1.00 C ATOM 771 NZ LYS A 52 10.630 -4.071 4.217 1.00 1.00 N ATOM 0 H LYS A 52 4.873 -3.272 2.100 1.00 1.00 H new ATOM 0 HA LYS A 52 7.128 -1.589 1.488 1.00 1.00 H new ATOM 0 HB2 LYS A 52 6.250 -3.248 3.597 1.00 1.00 H new ATOM 0 HB3 LYS A 52 7.782 -3.898 3.047 1.00 1.00 H new ATOM 0 HG2 LYS A 52 7.577 -0.907 3.332 1.00 1.00 H new ATOM 0 HG3 LYS A 52 7.633 -1.851 4.808 1.00 1.00 H new ATOM 0 HD2 LYS A 52 9.640 -2.485 2.644 1.00 1.00 H new ATOM 0 HD3 LYS A 52 9.877 -1.025 3.583 1.00 1.00 H new ATOM 0 HE2 LYS A 52 10.735 -2.250 5.286 1.00 1.00 H new ATOM 0 HE3 LYS A 52 9.212 -3.101 5.449 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 11.023 -4.622 5.006 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 9.918 -4.641 3.717 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 11.394 -3.816 3.559 1.00 1.00 H new ATOM 784 N GLY A 53 7.121 -4.699 0.425 1.00 1.00 N ATOM 785 CA GLY A 53 7.730 -5.600 -0.538 1.00 1.00 C ATOM 786 C GLY A 53 8.101 -4.858 -1.824 1.00 1.00 C ATOM 787 O GLY A 53 9.209 -5.010 -2.335 1.00 1.00 O ATOM 0 H GLY A 53 6.365 -5.109 0.973 1.00 1.00 H new ATOM 0 HA2 GLY A 53 8.622 -6.052 -0.105 1.00 1.00 H new ATOM 0 HA3 GLY A 53 7.040 -6.412 -0.768 1.00 1.00 H new ATOM 791 N CYS A 54 7.152 -4.071 -2.310 1.00 1.00 N ATOM 792 CA CYS A 54 7.364 -3.306 -3.526 1.00 1.00 C ATOM 793 C CYS A 54 8.273 -2.120 -3.195 1.00 1.00 C ATOM 794 O CYS A 54 9.180 -1.796 -3.959 1.00 1.00 O ATOM 795 CB CYS A 54 6.042 -2.855 -4.149 1.00 1.00 C ATOM 796 SG CYS A 54 6.342 -2.141 -5.807 1.00 1.00 S ATOM 0 H CYS A 54 6.234 -3.947 -1.883 1.00 1.00 H new ATOM 0 HA CYS A 54 7.846 -3.935 -4.274 1.00 1.00 H new ATOM 0 HB2 CYS A 54 5.360 -3.702 -4.227 1.00 1.00 H new ATOM 0 HB3 CYS A 54 5.562 -2.116 -3.507 1.00 1.00 H new ATOM 801 N HIS A 55 7.997 -1.505 -2.054 1.00 1.00 N ATOM 802 CA HIS A 55 8.778 -0.362 -1.612 1.00 1.00 C ATOM 803 C HIS A 55 10.245 -0.770 -1.463 1.00 1.00 C ATOM 804 O HIS A 55 11.140 -0.053 -1.907 1.00 1.00 O ATOM 805 CB HIS A 55 8.194 0.231 -0.329 1.00 1.00 C ATOM 806 CG HIS A 55 6.812 0.817 -0.496 1.00 1.00 C ATOM 807 ND1 HIS A 55 5.954 1.030 0.569 1.00 1.00 N ATOM 808 CD2 HIS A 55 6.149 1.231 -1.613 1.00 1.00 C ATOM 809 CE1 HIS A 55 4.828 1.549 0.102 1.00 1.00 C ATOM 810 NE2 HIS A 55 4.951 1.673 -1.251 1.00 1.00 N ATOM 0 H HIS A 55 7.244 -1.777 -1.422 1.00 1.00 H new ATOM 0 HA HIS A 55 8.731 0.428 -2.362 1.00 1.00 H new ATOM 0 HB2 HIS A 55 8.158 -0.546 0.435 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.865 1.008 0.038 1.00 1.00 H new ATOM 0 HD1 HIS A 55 6.155 0.823 1.547 1.00 1.00 H new ATOM 0 HD2 HIS A 55 6.534 1.204 -2.622 1.00 1.00 H new ATOM 0 HE1 HIS A 55 3.965 1.825 0.689 1.00 1.00 H new ATOM 818 N GLU A 56 10.445 -1.920 -0.837 1.00 1.00 N ATOM 819 CA GLU A 56 11.788 -2.432 -0.623 1.00 1.00 C ATOM 820 C GLU A 56 12.321 -3.075 -1.905 1.00 1.00 C ATOM 821 O GLU A 56 13.531 -3.124 -2.123 1.00 1.00 O ATOM 822 CB GLU A 56 11.819 -3.423 0.541 1.00 1.00 C ATOM 823 CG GLU A 56 10.616 -4.367 0.489 1.00 1.00 C ATOM 824 CD GLU A 56 11.026 -5.798 0.844 1.00 1.00 C ATOM 825 OE1 GLU A 56 11.093 -6.147 2.032 1.00 1.00 O ATOM 826 OE2 GLU A 56 11.279 -6.559 -0.166 1.00 1.00 O ATOM 0 H GLU A 56 9.699 -2.512 -0.471 1.00 1.00 H new ATOM 0 HA GLU A 56 12.437 -1.596 -0.362 1.00 1.00 H new ATOM 0 HB2 GLU A 56 12.742 -4.002 0.506 1.00 1.00 H new ATOM 0 HB3 GLU A 56 11.819 -2.880 1.486 1.00 1.00 H new ATOM 0 HG2 GLU A 56 9.849 -4.022 1.182 1.00 1.00 H new ATOM 0 HG3 GLU A 56 10.177 -4.348 -0.508 1.00 1.00 H new ATOM 834 N GLU A 57 11.392 -3.552 -2.720 1.00 1.00 N ATOM 835 CA GLU A 57 11.752 -4.190 -3.975 1.00 1.00 C ATOM 836 C GLU A 57 12.109 -3.135 -5.024 1.00 1.00 C ATOM 837 O GLU A 57 13.027 -3.330 -5.819 1.00 1.00 O ATOM 838 CB GLU A 57 10.626 -5.099 -4.471 1.00 1.00 C ATOM 839 CG GLU A 57 10.899 -5.580 -5.898 1.00 1.00 C ATOM 840 CD GLU A 57 12.172 -6.428 -5.957 1.00 1.00 C ATOM 841 OE1 GLU A 57 13.277 -5.901 -5.760 1.00 1.00 O ATOM 842 OE2 GLU A 57 11.983 -7.677 -6.218 1.00 1.00 O ATOM 0 H GLU A 57 10.390 -3.509 -2.536 1.00 1.00 H new ATOM 0 HA GLU A 57 12.629 -4.814 -3.804 1.00 1.00 H new ATOM 0 HB2 GLU A 57 10.527 -5.957 -3.807 1.00 1.00 H new ATOM 0 HB3 GLU A 57 9.679 -4.561 -4.440 1.00 1.00 H new ATOM 0 HG2 GLU A 57 10.052 -6.164 -6.257 1.00 1.00 H new ATOM 0 HG3 GLU A 57 10.999 -4.721 -6.562 1.00 1.00 H new ATOM 850 N MET A 58 11.364 -2.040 -4.992 1.00 1.00 N ATOM 851 CA MET A 58 11.589 -0.954 -5.930 1.00 1.00 C ATOM 852 C MET A 58 12.506 0.111 -5.326 1.00 1.00 C ATOM 853 O MET A 58 13.387 0.636 -6.006 1.00 1.00 O ATOM 854 CB MET A 58 10.250 -0.319 -6.309 1.00 1.00 C ATOM 855 CG MET A 58 9.376 -1.306 -7.086 1.00 1.00 C ATOM 856 SD MET A 58 8.233 -0.417 -8.131 1.00 1.00 S ATOM 857 CE MET A 58 8.534 -1.238 -9.687 1.00 1.00 C ATOM 0 H MET A 58 10.604 -1.882 -4.331 1.00 1.00 H new ATOM 0 HA MET A 58 12.072 -1.361 -6.818 1.00 1.00 H new ATOM 0 HB2 MET A 58 9.728 0.003 -5.408 1.00 1.00 H new ATOM 0 HB3 MET A 58 10.424 0.572 -6.913 1.00 1.00 H new ATOM 0 HG2 MET A 58 10.003 -1.960 -7.692 1.00 1.00 H new ATOM 0 HG3 MET A 58 8.827 -1.943 -6.392 1.00 1.00 H new ATOM 0 HE1 MET A 58 7.897 -0.803 -10.457 1.00 1.00 H new ATOM 0 HE2 MET A 58 9.580 -1.113 -9.968 1.00 1.00 H new ATOM 0 HE3 MET A 58 8.309 -2.300 -9.588 1.00 1.00 H new ATOM 867 N LYS A 59 12.268 0.399 -4.054 1.00 1.00 N ATOM 868 CA LYS A 59 13.062 1.392 -3.351 1.00 1.00 C ATOM 869 C LYS A 59 12.604 2.792 -3.766 1.00 1.00 C ATOM 870 O LYS A 59 13.429 3.662 -4.042 1.00 1.00 O ATOM 871 CB LYS A 59 14.554 1.141 -3.574 1.00 1.00 C ATOM 872 CG LYS A 59 15.257 0.807 -2.256 1.00 1.00 C ATOM 873 CD LYS A 59 15.367 -0.706 -2.062 1.00 1.00 C ATOM 874 CE LYS A 59 16.831 -1.147 -2.011 1.00 1.00 C ATOM 875 NZ LYS A 59 16.935 -2.546 -1.538 1.00 1.00 N ATOM 0 H LYS A 59 11.537 -0.038 -3.493 1.00 1.00 H new ATOM 0 HA LYS A 59 12.907 1.312 -2.275 1.00 1.00 H new ATOM 0 HB2 LYS A 59 14.687 0.321 -4.279 1.00 1.00 H new ATOM 0 HB3 LYS A 59 15.012 2.023 -4.021 1.00 1.00 H new ATOM 0 HG2 LYS A 59 16.252 1.252 -2.248 1.00 1.00 H new ATOM 0 HG3 LYS A 59 14.705 1.245 -1.424 1.00 1.00 H new ATOM 0 HD2 LYS A 59 14.864 -0.995 -1.139 1.00 1.00 H new ATOM 0 HD3 LYS A 59 14.857 -1.219 -2.878 1.00 1.00 H new ATOM 0 HE2 LYS A 59 17.279 -1.057 -3.001 1.00 1.00 H new ATOM 0 HE3 LYS A 59 17.392 -0.490 -1.347 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 17.935 -2.829 -1.509 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 16.526 -2.621 -0.585 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 16.417 -3.171 -2.187 1.00 1.00 H new ATOM 888 N LYS A 60 11.291 2.965 -3.797 1.00 1.00 N ATOM 889 CA LYS A 60 10.715 4.245 -4.174 1.00 1.00 C ATOM 890 C LYS A 60 9.739 4.699 -3.087 1.00 1.00 C ATOM 891 O LYS A 60 9.733 5.868 -2.703 1.00 1.00 O ATOM 892 CB LYS A 60 10.087 4.160 -5.567 1.00 1.00 C ATOM 893 CG LYS A 60 10.851 5.031 -6.567 1.00 1.00 C ATOM 894 CD LYS A 60 11.642 4.170 -7.553 1.00 1.00 C ATOM 895 CE LYS A 60 13.123 4.552 -7.549 1.00 1.00 C ATOM 896 NZ LYS A 60 13.933 3.482 -6.924 1.00 1.00 N ATOM 0 H LYS A 60 10.610 2.241 -3.568 1.00 1.00 H new ATOM 0 HA LYS A 60 11.492 5.007 -4.245 1.00 1.00 H new ATOM 0 HB2 LYS A 60 10.087 3.124 -5.907 1.00 1.00 H new ATOM 0 HB3 LYS A 60 9.046 4.481 -5.521 1.00 1.00 H new ATOM 0 HG2 LYS A 60 10.151 5.664 -7.112 1.00 1.00 H new ATOM 0 HG3 LYS A 60 11.530 5.694 -6.032 1.00 1.00 H new ATOM 0 HD2 LYS A 60 11.534 3.118 -7.291 1.00 1.00 H new ATOM 0 HD3 LYS A 60 11.234 4.292 -8.556 1.00 1.00 H new ATOM 0 HE2 LYS A 60 13.463 4.724 -8.570 1.00 1.00 H new ATOM 0 HE3 LYS A 60 13.262 5.486 -7.005 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 14.928 3.590 -7.206 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 13.858 3.549 -5.889 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 13.583 2.554 -7.237 1.00 1.00 H new ATOM 909 N GLY A 61 8.937 3.752 -2.623 1.00 1.00 N ATOM 910 CA GLY A 61 7.959 4.041 -1.587 1.00 1.00 C ATOM 911 C GLY A 61 8.616 4.071 -0.206 1.00 1.00 C ATOM 912 O GLY A 61 9.831 3.961 -0.058 1.00 1.00 O ATOM 0 H GLY A 61 8.944 2.784 -2.945 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.484 5.001 -1.788 1.00 1.00 H new ATOM 0 HA3 GLY A 61 7.173 3.286 -1.603 1.00 1.00 H new ATOM 916 N PRO A 62 7.771 4.224 0.817 1.00 1.00 N ATOM 917 CA PRO A 62 8.174 4.277 2.206 1.00 1.00 C ATOM 918 C PRO A 62 8.548 2.882 2.683 1.00 1.00 C ATOM 919 O PRO A 62 7.880 1.923 2.297 1.00 1.00 O ATOM 920 CB PRO A 62 6.946 4.800 2.949 1.00 1.00 C ATOM 921 CG PRO A 62 5.785 4.142 2.087 1.00 1.00 C ATOM 922 CD PRO A 62 6.337 4.355 0.679 1.00 1.00 C ATOM 0 HA PRO A 62 9.044 4.913 2.372 1.00 1.00 H new ATOM 0 HB2 PRO A 62 6.923 4.478 3.990 1.00 1.00 H new ATOM 0 HB3 PRO A 62 6.895 5.889 2.951 1.00 1.00 H new ATOM 0 HG2 PRO A 62 5.640 3.087 2.321 1.00 1.00 H new ATOM 0 HG3 PRO A 62 4.825 4.637 2.236 1.00 1.00 H new ATOM 0 HD2 PRO A 62 5.938 3.617 -0.017 1.00 1.00 H new ATOM 0 HD3 PRO A 62 6.065 5.337 0.293 1.00 1.00 H new ATOM 930 N THR A 63 9.589 2.792 3.497 1.00 1.00 N ATOM 931 CA THR A 63 10.030 1.505 4.009 1.00 1.00 C ATOM 932 C THR A 63 10.440 1.628 5.478 1.00 1.00 C ATOM 933 O THR A 63 11.306 0.891 5.948 1.00 1.00 O ATOM 934 CB THR A 63 11.154 0.997 3.105 1.00 1.00 C ATOM 935 OG1 THR A 63 11.830 2.181 2.691 1.00 1.00 O ATOM 936 CG2 THR A 63 10.629 0.392 1.801 1.00 1.00 C ATOM 0 H THR A 63 10.140 3.589 3.815 1.00 1.00 H new ATOM 0 HA THR A 63 9.222 0.773 3.990 1.00 1.00 H new ATOM 0 HB THR A 63 11.741 0.251 3.641 1.00 1.00 H new ATOM 0 HG1 THR A 63 12.576 1.943 2.102 1.00 1.00 H new ATOM 0 HG21 THR A 63 11.468 0.047 1.196 1.00 1.00 H new ATOM 0 HG22 THR A 63 9.975 -0.450 2.028 1.00 1.00 H new ATOM 0 HG23 THR A 63 10.070 1.147 1.249 1.00 1.00 H new ATOM 944 N LYS A 64 9.800 2.564 6.162 1.00 1.00 N ATOM 945 CA LYS A 64 10.087 2.793 7.568 1.00 1.00 C ATOM 946 C LYS A 64 8.774 3.010 8.324 1.00 1.00 C ATOM 947 O LYS A 64 7.773 3.412 7.733 1.00 1.00 O ATOM 948 CB LYS A 64 11.087 3.940 7.731 1.00 1.00 C ATOM 949 CG LYS A 64 12.401 3.440 8.333 1.00 1.00 C ATOM 950 CD LYS A 64 12.224 3.072 9.807 1.00 1.00 C ATOM 951 CE LYS A 64 12.228 1.554 9.998 1.00 1.00 C ATOM 952 NZ LYS A 64 13.482 1.116 10.651 1.00 1.00 N ATOM 0 H LYS A 64 9.083 3.173 5.769 1.00 1.00 H new ATOM 0 HA LYS A 64 10.567 1.918 8.006 1.00 1.00 H new ATOM 0 HB2 LYS A 64 11.279 4.400 6.762 1.00 1.00 H new ATOM 0 HB3 LYS A 64 10.660 4.712 8.372 1.00 1.00 H new ATOM 0 HG2 LYS A 64 12.752 2.571 7.777 1.00 1.00 H new ATOM 0 HG3 LYS A 64 13.166 4.211 8.236 1.00 1.00 H new ATOM 0 HD2 LYS A 64 13.026 3.518 10.396 1.00 1.00 H new ATOM 0 HD3 LYS A 64 11.287 3.486 10.179 1.00 1.00 H new ATOM 0 HE2 LYS A 64 11.372 1.256 10.604 1.00 1.00 H new ATOM 0 HE3 LYS A 64 12.122 1.060 9.032 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 13.468 0.083 10.773 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 14.294 1.383 10.058 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 13.567 1.573 11.581 1.00 1.00 H new ATOM 965 N CYS A 65 8.821 2.733 9.618 1.00 1.00 N ATOM 966 CA CYS A 65 7.648 2.892 10.461 1.00 1.00 C ATOM 967 C CYS A 65 7.212 4.357 10.404 1.00 1.00 C ATOM 968 O CYS A 65 6.018 4.651 10.361 1.00 1.00 O ATOM 969 CB CYS A 65 7.916 2.431 11.895 1.00 1.00 C ATOM 970 SG CYS A 65 9.003 0.967 12.041 1.00 1.00 S ATOM 0 H CYS A 65 9.653 2.399 10.104 1.00 1.00 H new ATOM 0 HA CYS A 65 6.841 2.259 10.091 1.00 1.00 H new ATOM 0 HB2 CYS A 65 8.365 3.256 12.449 1.00 1.00 H new ATOM 0 HB3 CYS A 65 6.963 2.207 12.374 1.00 1.00 H new ATOM 975 N GLY A 66 8.202 5.237 10.406 1.00 1.00 N ATOM 976 CA GLY A 66 7.935 6.665 10.355 1.00 1.00 C ATOM 977 C GLY A 66 7.856 7.156 8.908 1.00 1.00 C ATOM 978 O GLY A 66 7.945 8.356 8.651 1.00 1.00 O ATOM 0 H GLY A 66 9.191 4.989 10.442 1.00 1.00 H new ATOM 0 HA2 GLY A 66 6.998 6.882 10.868 1.00 1.00 H new ATOM 0 HA3 GLY A 66 8.721 7.205 10.884 1.00 1.00 H new ATOM 982 N GLU A 67 7.691 6.205 8.001 1.00 1.00 N ATOM 983 CA GLU A 67 7.600 6.526 6.588 1.00 1.00 C ATOM 984 C GLU A 67 6.237 6.103 6.034 1.00 1.00 C ATOM 985 O GLU A 67 5.965 6.275 4.847 1.00 1.00 O ATOM 986 CB GLU A 67 8.738 5.871 5.802 1.00 1.00 C ATOM 987 CG GLU A 67 9.879 6.862 5.561 1.00 1.00 C ATOM 988 CD GLU A 67 10.927 6.272 4.615 1.00 1.00 C ATOM 989 OE1 GLU A 67 10.855 5.082 4.275 1.00 1.00 O ATOM 990 OE2 GLU A 67 11.840 7.098 4.230 1.00 1.00 O ATOM 0 H GLU A 67 7.618 5.211 8.218 1.00 1.00 H new ATOM 0 HA GLU A 67 7.698 7.606 6.474 1.00 1.00 H new ATOM 0 HB2 GLU A 67 9.112 5.006 6.350 1.00 1.00 H new ATOM 0 HB3 GLU A 67 8.362 5.505 4.847 1.00 1.00 H new ATOM 0 HG2 GLU A 67 9.481 7.785 5.139 1.00 1.00 H new ATOM 0 HG3 GLU A 67 10.346 7.122 6.511 1.00 1.00 H new ATOM 998 N CYS A 68 5.417 5.558 6.921 1.00 1.00 N ATOM 999 CA CYS A 68 4.090 5.110 6.536 1.00 1.00 C ATOM 1000 C CYS A 68 3.093 5.605 7.585 1.00 1.00 C ATOM 1001 O CYS A 68 2.187 6.376 7.271 1.00 1.00 O ATOM 1002 CB CYS A 68 4.033 3.590 6.367 1.00 1.00 C ATOM 1003 SG CYS A 68 3.929 3.161 4.591 1.00 1.00 S ATOM 0 H CYS A 68 5.646 5.417 7.905 1.00 1.00 H new ATOM 0 HA CYS A 68 3.830 5.528 5.563 1.00 1.00 H new ATOM 0 HB2 CYS A 68 4.919 3.133 6.809 1.00 1.00 H new ATOM 0 HB3 CYS A 68 3.169 3.189 6.898 1.00 1.00 H new ATOM 1008 N HIS A 69 3.292 5.142 8.810 1.00 1.00 N ATOM 1009 CA HIS A 69 2.422 5.528 9.907 1.00 1.00 C ATOM 1010 C HIS A 69 2.693 6.984 10.290 1.00 1.00 C ATOM 1011 O HIS A 69 3.726 7.292 10.882 1.00 1.00 O ATOM 1012 CB HIS A 69 2.576 4.567 11.088 1.00 1.00 C ATOM 1013 CG HIS A 69 2.200 3.139 10.770 1.00 1.00 C ATOM 1014 ND1 HIS A 69 0.888 2.724 10.625 1.00 1.00 N ATOM 1015 CD2 HIS A 69 2.978 2.036 10.571 1.00 1.00 C ATOM 1016 CE1 HIS A 69 0.888 1.427 10.351 1.00 1.00 C ATOM 1017 NE2 HIS A 69 2.183 1.003 10.319 1.00 1.00 N ATOM 0 H HIS A 69 4.044 4.502 9.067 1.00 1.00 H new ATOM 0 HA HIS A 69 1.381 5.459 9.590 1.00 1.00 H new ATOM 0 HB2 HIS A 69 3.610 4.592 11.431 1.00 1.00 H new ATOM 0 HB3 HIS A 69 1.958 4.920 11.913 1.00 1.00 H new ATOM 0 HD1 HIS A 69 0.062 3.315 10.714 1.00 1.00 H new ATOM 0 HD2 HIS A 69 4.057 2.008 10.612 1.00 1.00 H new ATOM 0 HE1 HIS A 69 0.015 0.814 10.183 1.00 1.00 H new ATOM 1025 N LYS A 70 1.747 7.842 9.935 1.00 1.00 N ATOM 1026 CA LYS A 70 1.871 9.258 10.234 1.00 1.00 C ATOM 1027 C LYS A 70 0.477 9.858 10.427 1.00 1.00 C ATOM 1028 O LYS A 70 -0.301 9.948 9.478 1.00 1.00 O ATOM 1029 CB LYS A 70 2.700 9.962 9.157 1.00 1.00 C ATOM 1030 CG LYS A 70 2.891 11.443 9.493 1.00 1.00 C ATOM 1031 CD LYS A 70 3.878 11.620 10.648 1.00 1.00 C ATOM 1032 CE LYS A 70 5.319 11.421 10.174 1.00 1.00 C ATOM 1033 NZ LYS A 70 5.889 12.700 9.696 1.00 1.00 N ATOM 0 H LYS A 70 0.892 7.583 9.443 1.00 1.00 H new ATOM 0 HA LYS A 70 2.413 9.404 11.168 1.00 1.00 H new ATOM 0 HB2 LYS A 70 3.672 9.478 9.067 1.00 1.00 H new ATOM 0 HB3 LYS A 70 2.205 9.865 8.191 1.00 1.00 H new ATOM 0 HG2 LYS A 70 3.255 11.975 8.614 1.00 1.00 H new ATOM 0 HG3 LYS A 70 1.931 11.886 9.759 1.00 1.00 H new ATOM 0 HD2 LYS A 70 3.767 12.616 11.077 1.00 1.00 H new ATOM 0 HD3 LYS A 70 3.650 10.905 11.439 1.00 1.00 H new ATOM 0 HE2 LYS A 70 5.925 11.028 10.990 1.00 1.00 H new ATOM 0 HE3 LYS A 70 5.346 10.682 9.373 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 6.867 12.547 9.378 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 5.320 13.059 8.903 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 5.881 13.394 10.470 1.00 1.00 H new ATOM 1046 N LYS A 71 0.203 10.254 11.661 1.00 1.00 N ATOM 1047 CA LYS A 71 -1.083 10.843 11.991 1.00 1.00 C ATOM 1048 C LYS A 71 -1.281 12.118 11.169 1.00 1.00 C ATOM 1049 O LYS A 71 -0.630 13.131 11.422 1.00 1.00 O ATOM 1050 CB LYS A 71 -1.203 11.059 13.500 1.00 1.00 C ATOM 1051 CG LYS A 71 -2.266 12.111 13.821 1.00 1.00 C ATOM 1052 CD LYS A 71 -3.146 11.663 14.990 1.00 1.00 C ATOM 1053 CE LYS A 71 -3.656 12.866 15.785 1.00 1.00 C ATOM 1054 NZ LYS A 71 -5.002 13.265 15.316 1.00 1.00 N ATOM 0 H LYS A 71 0.851 10.178 12.445 1.00 1.00 H new ATOM 0 HA LYS A 71 -1.892 10.163 11.725 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -1.459 10.118 13.986 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -0.241 11.374 13.903 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -1.784 13.057 14.066 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -2.885 12.287 12.942 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -3.991 11.087 14.614 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -2.577 11.004 15.646 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -3.693 12.619 16.846 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -2.964 13.701 15.676 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -5.333 14.083 15.866 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -4.957 13.521 14.309 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -5.663 12.472 15.443 1.00 1.00 H new TER 1067 LYS A 71 HETATM 1068 CHA HEM A 101 -8.990 -0.751 -3.772 1.00 1.00 C HETATM 1069 CHB HEM A 101 -9.225 -0.083 -8.591 1.00 1.00 C HETATM 1070 CHC HEM A 101 -4.366 0.177 -8.807 1.00 1.00 C HETATM 1071 CHD HEM A 101 -4.131 -0.989 -4.018 1.00 1.00 C HETATM 1072 C1A HEM A 101 -9.464 -0.608 -5.072 1.00 1.00 C HETATM 1073 C2A HEM A 101 -10.859 -0.683 -5.440 1.00 1.00 C HETATM 1074 C3A HEM A 101 -10.927 -0.499 -6.775 1.00 1.00 C HETATM 1075 C4A HEM A 101 -9.576 -0.308 -7.247 1.00 1.00 C HETATM 1076 CMA HEM A 101 -12.151 -0.487 -7.645 1.00 1.00 C HETATM 1077 CAA HEM A 101 -11.988 -0.924 -4.481 1.00 1.00 C HETATM 1078 CBA HEM A 101 -11.791 -2.142 -3.583 1.00 1.00 C HETATM 1079 CGA HEM A 101 -11.889 -1.761 -2.113 1.00 1.00 C HETATM 1080 O1A HEM A 101 -11.559 -0.595 -1.806 1.00 1.00 O HETATM 1081 O2A HEM A 101 -12.292 -2.642 -1.323 1.00 1.00 O HETATM 1082 C1B HEM A 101 -7.924 0.100 -9.046 1.00 1.00 C HETATM 1083 C2B HEM A 101 -7.582 0.496 -10.392 1.00 1.00 C HETATM 1084 C3B HEM A 101 -6.236 0.569 -10.455 1.00 1.00 C HETATM 1085 C4B HEM A 101 -5.730 0.219 -9.149 1.00 1.00 C HETATM 1086 CMB HEM A 101 -8.575 0.766 -11.485 1.00 1.00 C HETATM 1087 CAB HEM A 101 -5.385 0.940 -11.635 1.00 1.00 C HETATM 1088 CBB HEM A 101 -5.925 2.114 -12.446 1.00 1.00 C HETATM 1089 C1C HEM A 101 -3.854 -0.210 -7.487 1.00 1.00 C HETATM 1090 C2C HEM A 101 -2.463 -0.405 -7.154 1.00 1.00 C HETATM 1091 C3C HEM A 101 -2.408 -0.713 -5.841 1.00 1.00 C HETATM 1092 C4C HEM A 101 -3.766 -0.712 -5.348 1.00 1.00 C HETATM 1093 CMC HEM A 101 -1.322 -0.277 -8.121 1.00 1.00 C HETATM 1094 CAC HEM A 101 -1.193 -1.008 -5.010 1.00 1.00 C HETATM 1095 CBC HEM A 101 0.046 -0.219 -5.422 1.00 1.00 C HETATM 1096 C1D HEM A 101 -5.440 -1.002 -3.546 1.00 1.00 C HETATM 1097 C2D HEM A 101 -5.804 -1.241 -2.170 1.00 1.00 C HETATM 1098 C3D HEM A 101 -7.150 -1.175 -2.098 1.00 1.00 C HETATM 1099 C4D HEM A 101 -7.633 -0.895 -3.430 1.00 1.00 C HETATM 1100 CMD HEM A 101 -4.831 -1.508 -1.058 1.00 1.00 C HETATM 1101 CAD HEM A 101 -8.021 -1.353 -0.888 1.00 1.00 C HETATM 1102 CBD HEM A 101 -7.744 -2.634 -0.107 1.00 1.00 C HETATM 1103 CGD HEM A 101 -7.208 -2.323 1.283 1.00 1.00 C HETATM 1104 O1D HEM A 101 -6.165 -2.917 1.635 1.00 1.00 O HETATM 1105 O2D HEM A 101 -7.851 -1.498 1.968 1.00 1.00 O HETATM 1106 NA HEM A 101 -8.684 -0.377 -6.191 1.00 1.00 N HETATM 1107 NB HEM A 101 -6.777 -0.068 -8.290 1.00 1.00 N HETATM 1108 NC HEM A 101 -4.647 -0.402 -6.369 1.00 1.00 N HETATM 1109 ND HEM A 101 -6.573 -0.790 -4.313 1.00 1.00 N HETATM 1110 FE HEM A 101 -6.521 -0.457 -6.311 1.00 1.00 FE HETATM 0 HMA1 HEM A 101 -11.985 0.171 -8.498 1.00 1.00 H new HETATM 0 HMA2 HEM A 101 -13.003 -0.126 -7.069 1.00 1.00 H new HETATM 0 HMA3 HEM A 101 -12.355 -1.497 -8.000 1.00 1.00 H new HETATM 0 HMB1 HEM A 101 -9.462 0.152 -11.331 1.00 1.00 H new HETATM 0 HMB2 HEM A 101 -8.129 0.523 -12.450 1.00 1.00 H new HETATM 0 HMB3 HEM A 101 -8.856 1.819 -11.470 1.00 1.00 H new HETATM 0 HMC1 HEM A 101 -1.661 -0.545 -9.122 1.00 1.00 H new HETATM 0 HMC2 HEM A 101 -0.514 -0.944 -7.821 1.00 1.00 H new HETATM 0 HMC3 HEM A 101 -0.961 0.751 -8.124 1.00 1.00 H new HETATM 0 HMD1 HEM A 101 -5.242 -1.138 -0.119 1.00 1.00 H new HETATM 0 HMD2 HEM A 101 -3.890 -0.999 -1.268 1.00 1.00 H new HETATM 0 HMD3 HEM A 101 -4.654 -2.581 -0.979 1.00 1.00 H new HETATM 0 HBB1 HEM A 101 -5.383 2.465 -13.324 1.00 1.00 H new HETATM 0 HBB2 HEM A 101 -6.853 2.602 -12.147 1.00 1.00 H new HETATM 0 HBC1 HEM A 101 0.984 -0.357 -4.884 1.00 1.00 H new HETATM 0 HBC2 HEM A 101 -0.007 0.483 -6.254 1.00 1.00 H new HETATM 0 HBA1 HEM A 101 -10.817 -2.590 -3.781 1.00 1.00 H new HETATM 0 HBA2 HEM A 101 -12.543 -2.896 -3.817 1.00 1.00 H new HETATM 0 HAA1 HEM A 101 -12.911 -1.048 -5.047 1.00 1.00 H new HETATM 0 HAA2 HEM A 101 -12.114 -0.041 -3.855 1.00 1.00 H new HETATM 0 HBD1 HEM A 101 -7.023 -3.246 -0.650 1.00 1.00 H new HETATM 0 HBD2 HEM A 101 -8.660 -3.219 -0.024 1.00 1.00 H new HETATM 0 HAD1 HEM A 101 -9.065 -1.349 -1.201 1.00 1.00 H new HETATM 0 HAD2 HEM A 101 -7.884 -0.499 -0.225 1.00 1.00 H new HETATM 0 HHA HEM A 101 -9.713 -0.752 -2.970 1.00 1.00 H new HETATM 0 HHB HEM A 101 -10.021 -0.050 -9.320 1.00 1.00 H new HETATM 0 HHC HEM A 101 -3.648 0.448 -9.567 1.00 1.00 H new HETATM 0 HHD HEM A 101 -3.341 -1.207 -3.315 1.00 1.00 H new HETATM 0 HAB HEM A 101 -4.463 0.417 -11.890 1.00 1.00 H new HETATM 0 HAC HEM A 101 -1.196 -1.722 -4.186 1.00 1.00 H new HETATM 1111 CHA HEM A 102 5.289 5.504 -2.618 1.00 1.00 C HETATM 1112 CHB HEM A 102 2.102 3.646 0.562 1.00 1.00 C HETATM 1113 CHC HEM A 102 1.825 -0.434 -2.083 1.00 1.00 C HETATM 1114 CHD HEM A 102 5.170 1.378 -5.204 1.00 1.00 C HETATM 1115 C1A HEM A 102 4.410 5.357 -1.549 1.00 1.00 C HETATM 1116 C2A HEM A 102 4.102 6.403 -0.602 1.00 1.00 C HETATM 1117 C3A HEM A 102 3.219 5.891 0.281 1.00 1.00 C HETATM 1118 C4A HEM A 102 2.971 4.524 -0.111 1.00 1.00 C HETATM 1119 CMA HEM A 102 2.589 6.575 1.459 1.00 1.00 C HETATM 1120 CAA HEM A 102 4.682 7.787 -0.633 1.00 1.00 C HETATM 1121 CBA HEM A 102 4.736 8.407 -2.026 1.00 1.00 C HETATM 1122 CGA HEM A 102 3.919 9.689 -2.088 1.00 1.00 C HETATM 1123 O1A HEM A 102 3.285 9.908 -3.143 1.00 1.00 O HETATM 1124 O2A HEM A 102 3.943 10.427 -1.079 1.00 1.00 O HETATM 1125 C1B HEM A 102 1.752 2.379 0.108 1.00 1.00 C HETATM 1126 C2B HEM A 102 0.811 1.509 0.773 1.00 1.00 C HETATM 1127 C3B HEM A 102 0.732 0.377 0.042 1.00 1.00 C HETATM 1128 C4B HEM A 102 1.624 0.535 -1.083 1.00 1.00 C HETATM 1129 CMB HEM A 102 0.079 1.844 2.040 1.00 1.00 C HETATM 1130 CAB HEM A 102 -0.108 -0.838 0.308 1.00 1.00 C HETATM 1131 CBB HEM A 102 -1.512 -0.523 0.816 1.00 1.00 C HETATM 1132 C1C HEM A 102 2.736 -0.314 -3.222 1.00 1.00 C HETATM 1133 C2C HEM A 102 3.069 -1.354 -4.166 1.00 1.00 C HETATM 1134 C3C HEM A 102 4.002 -0.849 -5.001 1.00 1.00 C HETATM 1135 C4C HEM A 102 4.255 0.509 -4.582 1.00 1.00 C HETATM 1136 CMC HEM A 102 2.465 -2.728 -4.178 1.00 1.00 C HETATM 1137 CAC HEM A 102 4.674 -1.531 -6.156 1.00 1.00 C HETATM 1138 CBC HEM A 102 3.928 -2.758 -6.673 1.00 1.00 C HETATM 1139 C1D HEM A 102 5.413 2.688 -4.802 1.00 1.00 C HETATM 1140 C2D HEM A 102 6.127 3.661 -5.595 1.00 1.00 C HETATM 1141 C3D HEM A 102 6.161 4.806 -4.880 1.00 1.00 C HETATM 1142 C4D HEM A 102 5.469 4.553 -3.639 1.00 1.00 C HETATM 1143 CMD HEM A 102 6.705 3.402 -6.955 1.00 1.00 C HETATM 1144 CAD HEM A 102 6.787 6.115 -5.263 1.00 1.00 C HETATM 1145 CBD HEM A 102 6.328 6.651 -6.616 1.00 1.00 C HETATM 1146 CGD HEM A 102 7.337 6.320 -7.707 1.00 1.00 C HETATM 1147 O1D HEM A 102 6.991 5.476 -8.562 1.00 1.00 O HETATM 1148 O2D HEM A 102 8.434 6.917 -7.666 1.00 1.00 O HETATM 1149 NA HEM A 102 3.708 4.206 -1.238 1.00 1.00 N HETATM 1150 NB HEM A 102 2.246 1.770 -1.032 1.00 1.00 N HETATM 1151 NC HEM A 102 3.471 0.828 -3.487 1.00 1.00 N HETATM 1152 ND HEM A 102 5.013 3.247 -3.601 1.00 1.00 N HETATM 1153 FE HEM A 102 3.697 2.449 -2.407 1.00 1.00 FE HETATM 0 HMA1 HEM A 102 3.272 7.329 1.850 1.00 1.00 H new HETATM 0 HMA2 HEM A 102 2.377 5.840 2.236 1.00 1.00 H new HETATM 0 HMA3 HEM A 102 1.660 7.053 1.148 1.00 1.00 H new HETATM 0 HMB1 HEM A 102 -0.886 1.337 2.048 1.00 1.00 H new HETATM 0 HMB2 HEM A 102 -0.077 2.921 2.096 1.00 1.00 H new HETATM 0 HMB3 HEM A 102 0.668 1.518 2.897 1.00 1.00 H new HETATM 0 HMC1 HEM A 102 2.447 -3.109 -5.199 1.00 1.00 H new HETATM 0 HMC2 HEM A 102 1.447 -2.681 -3.790 1.00 1.00 H new HETATM 0 HMC3 HEM A 102 3.061 -3.393 -3.553 1.00 1.00 H new HETATM 0 HMD1 HEM A 102 6.990 2.353 -7.036 1.00 1.00 H new HETATM 0 HMD2 HEM A 102 7.584 4.029 -7.102 1.00 1.00 H new HETATM 0 HMD3 HEM A 102 5.961 3.636 -7.717 1.00 1.00 H new HETATM 0 HBB1 HEM A 102 -2.205 -1.334 1.041 1.00 1.00 H new HETATM 0 HBB2 HEM A 102 -1.822 0.513 0.954 1.00 1.00 H new HETATM 0 HBC1 HEM A 102 4.330 -3.328 -7.511 1.00 1.00 H new HETATM 0 HBC2 HEM A 102 2.993 -3.065 -6.205 1.00 1.00 H new HETATM 0 HBA1 HEM A 102 4.357 7.695 -2.759 1.00 1.00 H new HETATM 0 HBA2 HEM A 102 5.771 8.619 -2.293 1.00 1.00 H new HETATM 0 HAA1 HEM A 102 5.691 7.756 -0.221 1.00 1.00 H new HETATM 0 HAA2 HEM A 102 4.091 8.432 0.018 1.00 1.00 H new HETATM 0 HBD1 HEM A 102 6.193 7.731 -6.556 1.00 1.00 H new HETATM 0 HBD2 HEM A 102 5.359 6.223 -6.871 1.00 1.00 H new HETATM 0 HAD1 HEM A 102 7.870 5.997 -5.279 1.00 1.00 H new HETATM 0 HAD2 HEM A 102 6.558 6.854 -4.495 1.00 1.00 H new HETATM 0 HHA HEM A 102 5.873 6.411 -2.667 1.00 1.00 H new HETATM 0 HHB HEM A 102 1.677 3.979 1.497 1.00 1.00 H new HETATM 0 HHC HEM A 102 1.256 -1.348 -2.003 1.00 1.00 H new HETATM 0 HHD HEM A 102 5.722 1.002 -6.053 1.00 1.00 H new HETATM 0 HAB HEM A 102 0.253 -1.855 0.152 1.00 1.00 H new HETATM 0 HAC HEM A 102 5.612 -1.181 -6.588 1.00 1.00 H new HETATM 1154 CHA HEM A 103 -0.535 -1.853 10.533 1.00 1.00 C HETATM 1155 CHB HEM A 103 3.548 -1.401 13.151 1.00 1.00 C HETATM 1156 CHC HEM A 103 5.970 0.041 9.179 1.00 1.00 C HETATM 1157 CHD HEM A 103 1.706 0.078 6.664 1.00 1.00 C HETATM 1158 C1A HEM A 103 0.371 -1.831 11.589 1.00 1.00 C HETATM 1159 C2A HEM A 103 0.028 -2.130 12.959 1.00 1.00 C HETATM 1160 C3A HEM A 103 1.157 -2.005 13.688 1.00 1.00 C HETATM 1161 C4A HEM A 103 2.211 -1.628 12.775 1.00 1.00 C HETATM 1162 CMA HEM A 103 1.332 -2.210 15.164 1.00 1.00 C HETATM 1163 CAA HEM A 103 -1.344 -2.505 13.439 1.00 1.00 C HETATM 1164 CBA HEM A 103 -2.264 -1.312 13.683 1.00 1.00 C HETATM 1165 CGA HEM A 103 -2.889 -1.377 15.069 1.00 1.00 C HETATM 1166 O1A HEM A 103 -4.113 -1.137 15.152 1.00 1.00 O HETATM 1167 O2A HEM A 103 -2.131 -1.666 16.021 1.00 1.00 O HETATM 1168 C1B HEM A 103 4.565 -1.049 12.270 1.00 1.00 C HETATM 1169 C2B HEM A 103 5.970 -1.062 12.606 1.00 1.00 C HETATM 1170 C3B HEM A 103 6.644 -0.663 11.507 1.00 1.00 C HETATM 1171 C4B HEM A 103 5.664 -0.398 10.480 1.00 1.00 C HETATM 1172 CMB HEM A 103 6.530 -1.454 13.942 1.00 1.00 C HETATM 1173 CAB HEM A 103 8.128 -0.509 11.338 1.00 1.00 C HETATM 1174 CBB HEM A 103 8.929 -1.745 11.735 1.00 1.00 C HETATM 1175 C1C HEM A 103 4.985 0.184 8.061 1.00 1.00 C HETATM 1176 C2C HEM A 103 5.232 0.797 6.777 1.00 1.00 C HETATM 1177 C3C HEM A 103 4.054 0.827 6.119 1.00 1.00 C HETATM 1178 C4C HEM A 103 3.066 0.233 6.989 1.00 1.00 C HETATM 1179 CMC HEM A 103 6.567 1.294 6.304 1.00 1.00 C HETATM 1180 CAC HEM A 103 3.776 1.364 4.745 1.00 1.00 C HETATM 1181 CBC HEM A 103 4.703 0.816 3.665 1.00 1.00 C HETATM 1182 C1D HEM A 103 0.762 -0.525 7.489 1.00 1.00 C HETATM 1183 C2D HEM A 103 -0.548 -0.946 7.050 1.00 1.00 C HETATM 1184 C3D HEM A 103 -1.172 -1.481 8.120 1.00 1.00 C HETATM 1185 C4D HEM A 103 -0.255 -1.397 9.232 1.00 1.00 C HETATM 1186 CMD HEM A 103 -1.075 -0.796 5.652 1.00 1.00 C HETATM 1187 CAD HEM A 103 -2.553 -2.065 8.188 1.00 1.00 C HETATM 1188 CBD HEM A 103 -3.660 -1.086 7.809 1.00 1.00 C HETATM 1189 CGD HEM A 103 -4.637 -1.717 6.827 1.00 1.00 C HETATM 1190 O1D HEM A 103 -4.155 -2.464 5.948 1.00 1.00 O HETATM 1191 O2D HEM A 103 -5.847 -1.440 6.973 1.00 1.00 O HETATM 1192 NA HEM A 103 1.716 -1.523 11.487 1.00 1.00 N HETATM 1193 NB HEM A 103 4.389 -0.639 10.960 1.00 1.00 N HETATM 1194 NC HEM A 103 3.650 -0.159 8.181 1.00 1.00 N HETATM 1195 ND HEM A 103 0.932 -0.807 8.833 1.00 1.00 N HETATM 1196 FE HEM A 103 2.739 -0.692 9.889 1.00 1.00 FE HETATM 0 HMA1 HEM A 103 0.403 -1.962 15.678 1.00 1.00 H new HETATM 0 HMA2 HEM A 103 2.132 -1.565 15.529 1.00 1.00 H new HETATM 0 HMA3 HEM A 103 1.588 -3.251 15.359 1.00 1.00 H new HETATM 0 HMB1 HEM A 103 5.809 -1.214 14.723 1.00 1.00 H new HETATM 0 HMB2 HEM A 103 7.456 -0.908 14.123 1.00 1.00 H new HETATM 0 HMB3 HEM A 103 6.732 -2.525 13.952 1.00 1.00 H new HETATM 0 HMC1 HEM A 103 7.157 1.621 7.160 1.00 1.00 H new HETATM 0 HMC2 HEM A 103 6.422 2.131 5.621 1.00 1.00 H new HETATM 0 HMC3 HEM A 103 7.092 0.491 5.787 1.00 1.00 H new HETATM 0 HMD1 HEM A 103 -1.780 -1.600 5.441 1.00 1.00 H new HETATM 0 HMD2 HEM A 103 -0.247 -0.844 4.944 1.00 1.00 H new HETATM 0 HMD3 HEM A 103 -1.581 0.165 5.555 1.00 1.00 H new HETATM 0 HBB1 HEM A 103 10.016 -1.740 11.651 1.00 1.00 H new HETATM 0 HBB2 HEM A 103 8.415 -2.633 12.102 1.00 1.00 H new HETATM 0 HBC1 HEM A 103 4.587 1.141 2.631 1.00 1.00 H new HETATM 0 HBC2 HEM A 103 5.481 0.099 3.927 1.00 1.00 H new HETATM 0 HBA1 HEM A 103 -3.049 -1.294 12.927 1.00 1.00 H new HETATM 0 HBA2 HEM A 103 -1.699 -0.386 13.578 1.00 1.00 H new HETATM 0 HAA1 HEM A 103 -1.251 -3.074 14.364 1.00 1.00 H new HETATM 0 HAA2 HEM A 103 -1.807 -3.164 12.704 1.00 1.00 H new HETATM 0 HBD1 HEM A 103 -3.222 -0.191 7.367 1.00 1.00 H new HETATM 0 HBD2 HEM A 103 -4.194 -0.771 8.706 1.00 1.00 H new HETATM 0 HAD1 HEM A 103 -2.734 -2.428 9.200 1.00 1.00 H new HETATM 0 HAD2 HEM A 103 -2.604 -2.929 7.526 1.00 1.00 H new HETATM 0 HHA HEM A 103 -1.522 -2.248 10.726 1.00 1.00 H new HETATM 0 HHB HEM A 103 3.802 -1.507 14.195 1.00 1.00 H new HETATM 0 HHC HEM A 103 6.999 0.295 8.970 1.00 1.00 H new HETATM 0 HHD HEM A 103 1.372 0.453 5.708 1.00 1.00 H new HETATM 0 HAB HEM A 103 8.591 0.404 10.965 1.00 1.00 H new HETATM 0 HAC HEM A 103 2.982 2.082 4.538 1.00 1.00 H new