USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=14 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 :FLIP amide:sc= -3.62! C(o=-8.3!,f=-3.3!) USER MOD Set 1.2: A 43 LYS NZ :NH3+ -106:sc= 0.389 (180deg=-0.169) USER MOD Set 1.3: A 103 HEM CMA :methyl 150:sc= -0.102 (180deg=-0.0646) USER MOD Single : A 1 ALA N :NH3+ -136:sc= 0.156 (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= -6.9! C(o=-6.9!,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+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -145:sc= 0 (180deg=-0.113) USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0486) USER MOD Single : A 52 LYS NZ :NH3+ 172:sc= 0.132 (180deg=0.114) 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+ -152:sc= 0 (180deg=-0.0917) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HEM CMA :methyl -30:sc= -0.192 (180deg=-0.298) USER MOD Single : A 101 HEM CMB :methyl -30:sc= -1.42 (180deg=-4.39!) USER MOD Single : A 101 HEM CMC :methyl -30:sc= -6.48! (180deg=-8.04!) USER MOD Single : A 101 HEM CMD :methyl 150:sc= -0.873 (180deg=-0.873) USER MOD Single : A 102 HEM CMA :methyl 150:sc= -0.122 (180deg=-0.122) USER MOD Single : A 102 HEM CMB :methyl 150:sc= -5.37! (180deg=-5.37!) USER MOD Single : A 102 HEM CMC :methyl 150:sc= -12.9! (180deg=-12.9!) USER MOD Single : A 102 HEM CMD :methyl -30:sc= -1.49 (180deg=-2.27) USER MOD Single : A 103 HEM CMB :methyl -30:sc= -0.277 (180deg=-1.76) USER MOD Single : A 103 HEM CMC :methyl -30:sc= -4.59! (180deg=-6.17!) USER MOD Single : A 103 HEM CMD :methyl 150:sc= -9.56! (180deg=-9.56!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.207 11.236 -1.796 1.00 1.00 N ATOM 2 CA ALA A 1 -10.844 10.879 -3.156 1.00 1.00 C ATOM 3 C ALA A 1 -10.178 9.502 -3.157 1.00 1.00 C ATOM 4 O ALA A 1 -10.261 8.767 -2.174 1.00 1.00 O ATOM 5 CB ALA A 1 -9.941 11.964 -3.746 1.00 1.00 C ATOM 0 H1 ALA A 1 -12.166 11.639 -1.787 1.00 1.00 H new ATOM 0 H2 ALA A 1 -11.183 10.387 -1.196 1.00 1.00 H new ATOM 0 H3 ALA A 1 -10.533 11.938 -1.430 1.00 1.00 H new ATOM 0 HA ALA A 1 -11.732 10.816 -3.786 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -9.669 11.695 -4.767 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -10.472 12.916 -3.750 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -9.038 12.054 -3.142 1.00 1.00 H new ATOM 11 N ASP A 2 -9.531 9.193 -4.271 1.00 1.00 N ATOM 12 CA ASP A 2 -8.851 7.917 -4.413 1.00 1.00 C ATOM 13 C ASP A 2 -8.167 7.559 -3.092 1.00 1.00 C ATOM 14 O ASP A 2 -8.143 6.394 -2.697 1.00 1.00 O ATOM 15 CB ASP A 2 -7.775 7.984 -5.498 1.00 1.00 C ATOM 16 CG ASP A 2 -7.893 6.921 -6.593 1.00 1.00 C ATOM 17 OD1 ASP A 2 -8.208 5.754 -6.317 1.00 1.00 O ATOM 18 OD2 ASP A 2 -7.642 7.338 -7.787 1.00 1.00 O ATOM 0 H ASP A 2 -9.463 9.805 -5.084 1.00 1.00 H new ATOM 0 HA ASP A 2 -9.594 7.168 -4.687 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -7.811 8.969 -5.963 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -6.797 7.890 -5.025 1.00 1.00 H new ATOM 24 N ASP A 3 -7.629 8.582 -2.444 1.00 1.00 N ATOM 25 CA ASP A 3 -6.948 8.390 -1.176 1.00 1.00 C ATOM 26 C ASP A 3 -7.720 7.371 -0.336 1.00 1.00 C ATOM 27 O ASP A 3 -8.856 7.623 0.063 1.00 1.00 O ATOM 28 CB ASP A 3 -6.877 9.698 -0.384 1.00 1.00 C ATOM 29 CG ASP A 3 -6.593 9.535 1.110 1.00 1.00 C ATOM 30 OD1 ASP A 3 -5.741 8.730 1.514 1.00 1.00 O ATOM 31 OD2 ASP A 3 -7.300 10.287 1.884 1.00 1.00 O ATOM 0 H ASP A 3 -7.651 9.547 -2.774 1.00 1.00 H new ATOM 0 HA ASP A 3 -5.937 8.041 -1.387 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -6.101 10.327 -0.819 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -7.821 10.229 -0.503 1.00 1.00 H new ATOM 37 N ILE A 4 -7.073 6.240 -0.092 1.00 1.00 N ATOM 38 CA ILE A 4 -7.684 5.182 0.693 1.00 1.00 C ATOM 39 C ILE A 4 -6.983 5.089 2.049 1.00 1.00 C ATOM 40 O ILE A 4 -5.871 4.573 2.143 1.00 1.00 O ATOM 41 CB ILE A 4 -7.686 3.867 -0.090 1.00 1.00 C ATOM 42 CG1 ILE A 4 -8.930 3.757 -0.975 1.00 1.00 C ATOM 43 CG2 ILE A 4 -7.544 2.669 0.850 1.00 1.00 C ATOM 44 CD1 ILE A 4 -8.996 2.392 -1.661 1.00 1.00 C ATOM 0 H ILE A 4 -6.131 6.034 -0.425 1.00 1.00 H new ATOM 0 HA ILE A 4 -8.731 5.410 0.890 1.00 1.00 H new ATOM 0 HB ILE A 4 -6.819 3.862 -0.751 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -9.825 3.908 -0.371 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -8.916 4.546 -1.727 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -7.548 1.747 0.268 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -6.606 2.747 1.399 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -8.377 2.658 1.553 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -9.889 2.340 -2.284 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -8.112 2.254 -2.283 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -9.034 1.607 -0.906 1.00 1.00 H new ATOM 56 N VAL A 5 -7.663 5.596 3.067 1.00 1.00 N ATOM 57 CA VAL A 5 -7.120 5.576 4.414 1.00 1.00 C ATOM 58 C VAL A 5 -7.372 4.204 5.042 1.00 1.00 C ATOM 59 O VAL A 5 -8.503 3.722 5.055 1.00 1.00 O ATOM 60 CB VAL A 5 -7.710 6.726 5.234 1.00 1.00 C ATOM 61 CG1 VAL A 5 -6.879 6.986 6.491 1.00 1.00 C ATOM 62 CG2 VAL A 5 -7.837 7.994 4.387 1.00 1.00 C ATOM 0 H VAL A 5 -8.586 6.023 2.986 1.00 1.00 H new ATOM 0 HA VAL A 5 -6.041 5.730 4.392 1.00 1.00 H new ATOM 0 HB VAL A 5 -8.711 6.433 5.550 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -7.320 7.808 7.055 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -6.864 6.088 7.109 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -5.860 7.248 6.206 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -8.259 8.796 4.993 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -6.852 8.291 4.027 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -8.491 7.800 3.537 1.00 1.00 H new ATOM 72 N LEU A 6 -6.299 3.613 5.546 1.00 1.00 N ATOM 73 CA LEU A 6 -6.389 2.305 6.174 1.00 1.00 C ATOM 74 C LEU A 6 -6.511 2.479 7.689 1.00 1.00 C ATOM 75 O LEU A 6 -6.551 3.602 8.187 1.00 1.00 O ATOM 76 CB LEU A 6 -5.213 1.424 5.748 1.00 1.00 C ATOM 77 CG LEU A 6 -5.157 1.051 4.265 1.00 1.00 C ATOM 78 CD1 LEU A 6 -3.760 0.562 3.876 1.00 1.00 C ATOM 79 CD2 LEU A 6 -6.240 0.030 3.915 1.00 1.00 C ATOM 0 H LEU A 6 -5.362 4.016 5.532 1.00 1.00 H new ATOM 0 HA LEU A 6 -7.285 1.783 5.840 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -4.287 1.937 6.008 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -5.243 0.505 6.333 1.00 1.00 H new ATOM 0 HG LEU A 6 -5.359 1.947 3.679 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -3.747 0.303 2.817 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -3.032 1.351 4.066 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -3.504 -0.317 4.468 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.178 -0.218 2.855 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -6.094 -0.873 4.508 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.221 0.452 4.132 1.00 1.00 H new ATOM 91 N LYS A 7 -6.567 1.349 8.379 1.00 1.00 N ATOM 92 CA LYS A 7 -6.683 1.362 9.827 1.00 1.00 C ATOM 93 C LYS A 7 -5.295 1.187 10.448 1.00 1.00 C ATOM 94 O LYS A 7 -4.425 0.548 9.859 1.00 1.00 O ATOM 95 CB LYS A 7 -7.701 0.318 10.292 1.00 1.00 C ATOM 96 CG LYS A 7 -8.954 0.345 9.414 1.00 1.00 C ATOM 97 CD LYS A 7 -10.222 0.284 10.267 1.00 1.00 C ATOM 98 CE LYS A 7 -11.434 0.793 9.485 1.00 1.00 C ATOM 99 NZ LYS A 7 -12.637 -0.002 9.817 1.00 1.00 N ATOM 0 H LYS A 7 -6.534 0.419 7.962 1.00 1.00 H new ATOM 0 HA LYS A 7 -7.067 2.323 10.170 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -7.251 -0.674 10.259 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -7.975 0.509 11.329 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -8.960 1.253 8.811 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -8.936 -0.497 8.722 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -10.398 -0.742 10.590 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -10.088 0.883 11.168 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -11.609 1.843 9.718 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -11.235 0.733 8.415 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -13.450 0.357 9.277 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -12.472 -0.999 9.573 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -12.835 0.077 10.835 1.00 1.00 H new ATOM 112 N ALA A 8 -5.133 1.766 11.628 1.00 1.00 N ATOM 113 CA ALA A 8 -3.866 1.682 12.335 1.00 1.00 C ATOM 114 C ALA A 8 -3.817 2.765 13.415 1.00 1.00 C ATOM 115 O ALA A 8 -3.716 3.951 13.106 1.00 1.00 O ATOM 116 CB ALA A 8 -2.714 1.804 11.335 1.00 1.00 C ATOM 0 H ALA A 8 -5.858 2.295 12.113 1.00 1.00 H new ATOM 0 HA ALA A 8 -3.767 0.716 12.831 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -1.764 1.741 11.865 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -2.777 0.996 10.607 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -2.779 2.762 10.820 1.00 1.00 H new ATOM 122 N LYS A 9 -3.890 2.317 14.660 1.00 1.00 N ATOM 123 CA LYS A 9 -3.855 3.233 15.788 1.00 1.00 C ATOM 124 C LYS A 9 -2.432 3.768 15.961 1.00 1.00 C ATOM 125 O LYS A 9 -2.197 4.666 16.767 1.00 1.00 O ATOM 126 CB LYS A 9 -4.416 2.559 17.042 1.00 1.00 C ATOM 127 CG LYS A 9 -3.475 1.461 17.542 1.00 1.00 C ATOM 128 CD LYS A 9 -4.241 0.403 18.339 1.00 1.00 C ATOM 129 CE LYS A 9 -4.172 0.692 19.840 1.00 1.00 C ATOM 130 NZ LYS A 9 -5.506 1.075 20.355 1.00 1.00 N ATOM 0 H LYS A 9 -3.973 1.332 14.912 1.00 1.00 H new ATOM 0 HA LYS A 9 -4.498 4.093 15.601 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -4.561 3.303 17.825 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -5.395 2.132 16.823 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -2.975 0.992 16.695 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -2.698 1.900 18.167 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -5.282 0.382 18.016 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -3.824 -0.583 18.135 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -3.810 -0.189 20.370 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -3.458 1.494 20.030 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -5.442 1.268 21.375 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -5.837 1.929 19.861 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -6.178 0.298 20.191 1.00 1.00 H new ATOM 143 N ASN A 10 -1.520 3.193 15.190 1.00 1.00 N ATOM 144 CA ASN A 10 -0.127 3.601 15.248 1.00 1.00 C ATOM 145 C ASN A 10 0.114 4.723 14.237 1.00 1.00 C ATOM 146 O ASN A 10 1.234 5.213 14.102 1.00 1.00 O ATOM 147 CB ASN A 10 0.803 2.438 14.894 1.00 1.00 C ATOM 148 CG ASN A 10 0.222 1.107 15.374 1.00 1.00 C ATOM 149 OD1 ASN A 10 0.072 0.203 14.410 1.00 1.00 O flip ATOM 150 ND2 ASN A 10 -0.070 0.912 16.543 1.00 1.00 N flip ATOM 0 H ASN A 10 -1.719 2.448 14.522 1.00 1.00 H new ATOM 0 HA ASN A 10 0.084 3.936 16.264 1.00 1.00 H new ATOM 0 HB2 ASN A 10 0.955 2.405 13.815 1.00 1.00 H new ATOM 0 HB3 ASN A 10 1.780 2.598 15.349 1.00 1.00 H new ATOM 0 HD21 ASN A 10 0.070 1.649 17.234 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -0.454 0.012 16.829 1.00 1.00 H new ATOM 157 N GLY A 11 -0.956 5.099 13.552 1.00 1.00 N ATOM 158 CA GLY A 11 -0.875 6.155 12.557 1.00 1.00 C ATOM 159 C GLY A 11 -1.395 5.672 11.201 1.00 1.00 C ATOM 160 O GLY A 11 -0.767 4.835 10.554 1.00 1.00 O ATOM 0 H GLY A 11 -1.884 4.691 13.666 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -1.456 7.016 12.887 1.00 1.00 H new ATOM 0 HA3 GLY A 11 0.158 6.487 12.457 1.00 1.00 H new ATOM 164 N ASP A 12 -2.536 6.219 10.811 1.00 1.00 N ATOM 165 CA ASP A 12 -3.147 5.855 9.545 1.00 1.00 C ATOM 166 C ASP A 12 -2.074 5.827 8.455 1.00 1.00 C ATOM 167 O ASP A 12 -1.011 6.426 8.610 1.00 1.00 O ATOM 168 CB ASP A 12 -4.213 6.873 9.133 1.00 1.00 C ATOM 169 CG ASP A 12 -5.658 6.411 9.328 1.00 1.00 C ATOM 170 OD1 ASP A 12 -6.609 7.161 9.062 1.00 1.00 O ATOM 171 OD2 ASP A 12 -5.791 5.211 9.781 1.00 1.00 O ATOM 0 H ASP A 12 -3.054 6.913 11.350 1.00 1.00 H new ATOM 0 HA ASP A 12 -3.611 4.876 9.665 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -4.060 7.788 9.705 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -4.067 7.125 8.083 1.00 1.00 H new ATOM 177 N VAL A 13 -2.389 5.126 7.376 1.00 1.00 N ATOM 178 CA VAL A 13 -1.465 5.012 6.260 1.00 1.00 C ATOM 179 C VAL A 13 -2.151 5.502 4.983 1.00 1.00 C ATOM 180 O VAL A 13 -2.738 4.710 4.247 1.00 1.00 O ATOM 181 CB VAL A 13 -0.951 3.576 6.150 1.00 1.00 C ATOM 182 CG1 VAL A 13 0.154 3.467 5.097 1.00 1.00 C ATOM 183 CG2 VAL A 13 -0.468 3.060 7.507 1.00 1.00 C ATOM 0 H VAL A 13 -3.272 4.631 7.251 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.591 5.643 6.422 1.00 1.00 H new ATOM 0 HB VAL A 13 -1.782 2.948 5.829 1.00 1.00 H new ATOM 0 HG11 VAL A 13 0.501 2.435 5.040 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.237 3.773 4.127 1.00 1.00 H new ATOM 0 HG13 VAL A 13 0.986 4.115 5.374 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -0.108 2.037 7.400 1.00 1.00 H new ATOM 0 HG22 VAL A 13 0.341 3.693 7.870 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -1.293 3.082 8.219 1.00 1.00 H new ATOM 193 N LYS A 14 -2.054 6.804 4.759 1.00 1.00 N ATOM 194 CA LYS A 14 -2.658 7.408 3.584 1.00 1.00 C ATOM 195 C LYS A 14 -1.985 6.852 2.327 1.00 1.00 C ATOM 196 O LYS A 14 -0.829 7.167 2.047 1.00 1.00 O ATOM 197 CB LYS A 14 -2.612 8.934 3.682 1.00 1.00 C ATOM 198 CG LYS A 14 -2.959 9.581 2.340 1.00 1.00 C ATOM 199 CD LYS A 14 -1.973 10.700 1.999 1.00 1.00 C ATOM 200 CE LYS A 14 -1.643 10.703 0.505 1.00 1.00 C ATOM 201 NZ LYS A 14 -0.660 11.765 0.194 1.00 1.00 N ATOM 0 H LYS A 14 -1.566 7.458 5.371 1.00 1.00 H new ATOM 0 HA LYS A 14 -3.715 7.147 3.522 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -3.312 9.274 4.445 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -1.618 9.252 3.997 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -2.944 8.826 1.554 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -3.972 9.983 2.377 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -2.398 11.663 2.283 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -1.058 10.572 2.577 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -1.243 9.732 0.213 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -2.553 10.860 -0.074 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -0.447 11.753 -0.824 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -1.055 12.691 0.455 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 0.214 11.598 0.733 1.00 1.00 H new ATOM 214 N LEU A 15 -2.737 6.036 1.604 1.00 1.00 N ATOM 215 CA LEU A 15 -2.227 5.433 0.384 1.00 1.00 C ATOM 216 C LEU A 15 -2.811 6.168 -0.825 1.00 1.00 C ATOM 217 O LEU A 15 -4.018 6.194 -1.053 1.00 1.00 O ATOM 218 CB LEU A 15 -2.497 3.927 0.377 1.00 1.00 C ATOM 219 CG LEU A 15 -2.494 3.251 -0.996 1.00 1.00 C ATOM 220 CD1 LEU A 15 -1.127 2.635 -1.301 1.00 1.00 C ATOM 221 CD2 LEU A 15 -3.623 2.224 -1.104 1.00 1.00 C ATOM 0 H LEU A 15 -3.695 5.778 1.839 1.00 1.00 H new ATOM 0 HA LEU A 15 -1.144 5.539 0.330 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -1.747 3.441 1.001 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -3.465 3.749 0.845 1.00 1.00 H new ATOM 0 HG LEU A 15 -2.679 4.013 -1.753 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -1.152 2.161 -2.282 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -0.366 3.416 -1.294 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -0.887 1.889 -0.544 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -3.598 1.758 -2.089 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -3.494 1.459 -0.338 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -4.582 2.722 -0.962 1.00 1.00 H new ATOM 233 N PRO A 16 -1.912 6.773 -1.605 1.00 1.00 N ATOM 234 CA PRO A 16 -2.241 7.522 -2.799 1.00 1.00 C ATOM 235 C PRO A 16 -2.645 6.562 -3.908 1.00 1.00 C ATOM 236 O PRO A 16 -1.930 6.470 -4.905 1.00 1.00 O ATOM 237 CB PRO A 16 -0.957 8.266 -3.160 1.00 1.00 C ATOM 238 CG PRO A 16 0.130 7.368 -2.627 1.00 1.00 C ATOM 239 CD PRO A 16 -0.485 6.763 -1.367 1.00 1.00 C ATOM 0 HA PRO A 16 -3.075 8.209 -2.653 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -0.866 8.411 -4.236 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -0.923 9.254 -2.701 1.00 1.00 H new ATOM 0 HG2 PRO A 16 0.403 6.598 -3.349 1.00 1.00 H new ATOM 0 HG3 PRO A 16 1.037 7.928 -2.400 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -0.120 5.750 -1.197 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -0.228 7.347 -0.483 1.00 1.00 H new ATOM 247 N HIS A 17 -3.763 5.876 -3.722 1.00 1.00 N ATOM 248 CA HIS A 17 -4.238 4.932 -4.719 1.00 1.00 C ATOM 249 C HIS A 17 -4.001 5.503 -6.119 1.00 1.00 C ATOM 250 O HIS A 17 -3.339 4.877 -6.945 1.00 1.00 O ATOM 251 CB HIS A 17 -5.701 4.566 -4.468 1.00 1.00 C ATOM 252 CG HIS A 17 -6.188 3.388 -5.278 1.00 1.00 C ATOM 253 ND1 HIS A 17 -7.038 3.523 -6.362 1.00 1.00 N ATOM 254 CD2 HIS A 17 -5.934 2.054 -5.152 1.00 1.00 C ATOM 255 CE1 HIS A 17 -7.278 2.318 -6.858 1.00 1.00 C ATOM 256 NE2 HIS A 17 -6.594 1.409 -6.106 1.00 1.00 N ATOM 0 H HIS A 17 -4.354 5.955 -2.895 1.00 1.00 H new ATOM 0 HA HIS A 17 -3.674 4.002 -4.643 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -5.833 4.345 -3.409 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -6.325 5.431 -4.693 1.00 1.00 H new ATOM 0 HD1 HIS A 17 -7.416 4.401 -6.718 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -5.303 1.599 -4.403 1.00 1.00 H new ATOM 0 HE1 HIS A 17 -7.905 2.095 -7.708 1.00 1.00 H new ATOM 264 N LYS A 18 -4.555 6.686 -6.342 1.00 1.00 N ATOM 265 CA LYS A 18 -4.413 7.348 -7.628 1.00 1.00 C ATOM 266 C LYS A 18 -2.953 7.271 -8.078 1.00 1.00 C ATOM 267 O LYS A 18 -2.645 6.652 -9.095 1.00 1.00 O ATOM 268 CB LYS A 18 -4.961 8.774 -7.559 1.00 1.00 C ATOM 269 CG LYS A 18 -4.754 9.506 -8.887 1.00 1.00 C ATOM 270 CD LYS A 18 -4.656 11.018 -8.670 1.00 1.00 C ATOM 271 CE LYS A 18 -3.262 11.412 -8.178 1.00 1.00 C ATOM 272 NZ LYS A 18 -3.291 12.757 -7.561 1.00 1.00 N ATOM 0 H LYS A 18 -5.103 7.203 -5.654 1.00 1.00 H new ATOM 0 HA LYS A 18 -5.008 6.839 -8.387 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -6.023 8.748 -7.316 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -4.464 9.320 -6.757 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -3.845 9.144 -9.368 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -5.581 9.285 -9.561 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -4.877 11.538 -9.602 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -5.405 11.334 -7.944 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -2.906 10.680 -7.453 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -2.560 11.403 -9.012 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -2.337 13.009 -7.233 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -3.611 13.454 -8.263 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -3.946 12.754 -6.753 1.00 1.00 H new ATOM 285 N ALA A 19 -2.092 7.909 -7.298 1.00 1.00 N ATOM 286 CA ALA A 19 -0.672 7.921 -7.603 1.00 1.00 C ATOM 287 C ALA A 19 -0.200 6.490 -7.867 1.00 1.00 C ATOM 288 O ALA A 19 0.524 6.239 -8.830 1.00 1.00 O ATOM 289 CB ALA A 19 0.092 8.584 -6.455 1.00 1.00 C ATOM 0 H ALA A 19 -2.351 8.421 -6.455 1.00 1.00 H new ATOM 0 HA ALA A 19 -0.478 8.504 -8.503 1.00 1.00 H new ATOM 0 HB1 ALA A 19 1.158 8.593 -6.684 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -0.260 9.608 -6.327 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -0.077 8.025 -5.535 1.00 1.00 H new ATOM 295 N HIS A 20 -0.629 5.588 -6.996 1.00 1.00 N ATOM 296 CA HIS A 20 -0.259 4.189 -7.123 1.00 1.00 C ATOM 297 C HIS A 20 -0.877 3.608 -8.396 1.00 1.00 C ATOM 298 O HIS A 20 -0.397 2.606 -8.923 1.00 1.00 O ATOM 299 CB HIS A 20 -0.647 3.408 -5.866 1.00 1.00 C ATOM 300 CG HIS A 20 0.360 3.510 -4.745 1.00 1.00 C ATOM 301 ND1 HIS A 20 0.330 4.521 -3.800 1.00 1.00 N ATOM 302 CD2 HIS A 20 1.423 2.717 -4.426 1.00 1.00 C ATOM 303 CE1 HIS A 20 1.335 4.336 -2.957 1.00 1.00 C ATOM 304 NE2 HIS A 20 2.012 3.218 -3.347 1.00 1.00 N ATOM 0 H HIS A 20 -1.230 5.799 -6.199 1.00 1.00 H new ATOM 0 HA HIS A 20 0.824 4.103 -7.214 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -1.611 3.770 -5.509 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -0.778 2.358 -6.129 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -0.351 5.280 -3.760 1.00 1.00 H new ATOM 0 HD2 HIS A 20 1.733 1.831 -4.961 1.00 1.00 H new ATOM 0 HE1 HIS A 20 1.576 4.961 -2.110 1.00 1.00 H new ATOM 312 N GLN A 21 -1.934 4.263 -8.854 1.00 1.00 N ATOM 313 CA GLN A 21 -2.624 3.825 -10.055 1.00 1.00 C ATOM 314 C GLN A 21 -1.898 4.337 -11.301 1.00 1.00 C ATOM 315 O GLN A 21 -2.178 3.893 -12.413 1.00 1.00 O ATOM 316 CB GLN A 21 -4.085 4.279 -10.046 1.00 1.00 C ATOM 317 CG GLN A 21 -4.918 3.428 -9.086 1.00 1.00 C ATOM 318 CD GLN A 21 -6.325 4.007 -8.920 1.00 1.00 C ATOM 319 OE1 GLN A 21 -6.535 5.017 -8.269 1.00 1.00 O ATOM 320 NE2 GLN A 21 -7.273 3.313 -9.544 1.00 1.00 N ATOM 0 H GLN A 21 -2.329 5.094 -8.414 1.00 1.00 H new ATOM 0 HA GLN A 21 -2.618 2.735 -10.076 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -4.142 5.327 -9.751 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -4.498 4.208 -11.052 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -4.983 2.407 -9.462 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -4.424 3.379 -8.116 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -7.028 2.476 -10.072 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -8.245 3.618 -9.494 1.00 1.00 H new ATOM 329 N LYS A 22 -0.979 5.264 -11.072 1.00 1.00 N ATOM 330 CA LYS A 22 -0.211 5.841 -12.162 1.00 1.00 C ATOM 331 C LYS A 22 1.207 5.266 -12.141 1.00 1.00 C ATOM 332 O LYS A 22 1.791 5.008 -13.192 1.00 1.00 O ATOM 333 CB LYS A 22 -0.256 7.369 -12.099 1.00 1.00 C ATOM 334 CG LYS A 22 0.295 7.987 -13.385 1.00 1.00 C ATOM 335 CD LYS A 22 1.003 9.313 -13.097 1.00 1.00 C ATOM 336 CE LYS A 22 1.202 10.119 -14.382 1.00 1.00 C ATOM 337 NZ LYS A 22 2.580 9.947 -14.894 1.00 1.00 N ATOM 0 H LYS A 22 -0.749 5.630 -10.148 1.00 1.00 H new ATOM 0 HA LYS A 22 -0.651 5.572 -13.122 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -1.283 7.700 -11.943 1.00 1.00 H new ATOM 0 HB3 LYS A 22 0.325 7.719 -11.245 1.00 1.00 H new ATOM 0 HG2 LYS A 22 0.992 7.294 -13.856 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -0.519 8.151 -14.091 1.00 1.00 H new ATOM 0 HD2 LYS A 22 0.417 9.895 -12.386 1.00 1.00 H new ATOM 0 HD3 LYS A 22 1.969 9.120 -12.631 1.00 1.00 H new ATOM 0 HE2 LYS A 22 0.485 9.795 -15.136 1.00 1.00 H new ATOM 0 HE3 LYS A 22 1.008 11.174 -14.190 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 2.698 10.501 -15.766 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 3.260 10.278 -14.180 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 2.752 8.942 -15.096 1.00 1.00 H new ATOM 350 N ALA A 23 1.719 5.082 -10.933 1.00 1.00 N ATOM 351 CA ALA A 23 3.057 4.543 -10.762 1.00 1.00 C ATOM 352 C ALA A 23 3.061 3.065 -11.158 1.00 1.00 C ATOM 353 O ALA A 23 4.071 2.549 -11.634 1.00 1.00 O ATOM 354 CB ALA A 23 3.514 4.760 -9.318 1.00 1.00 C ATOM 0 H ALA A 23 1.231 5.297 -10.063 1.00 1.00 H new ATOM 0 HA ALA A 23 3.765 5.060 -11.410 1.00 1.00 H new ATOM 0 HB1 ALA A 23 4.518 4.356 -9.189 1.00 1.00 H new ATOM 0 HB2 ALA A 23 3.521 5.827 -9.095 1.00 1.00 H new ATOM 0 HB3 ALA A 23 2.829 4.252 -8.639 1.00 1.00 H new ATOM 360 N VAL A 24 1.920 2.425 -10.947 1.00 1.00 N ATOM 361 CA VAL A 24 1.779 1.017 -11.276 1.00 1.00 C ATOM 362 C VAL A 24 0.611 0.839 -12.247 1.00 1.00 C ATOM 363 O VAL A 24 -0.505 0.490 -11.868 1.00 1.00 O ATOM 364 CB VAL A 24 1.623 0.193 -9.996 1.00 1.00 C ATOM 365 CG1 VAL A 24 1.248 -1.255 -10.318 1.00 1.00 C ATOM 366 CG2 VAL A 24 2.894 0.255 -9.146 1.00 1.00 C ATOM 0 H VAL A 24 1.084 2.856 -10.552 1.00 1.00 H new ATOM 0 HA VAL A 24 2.676 0.650 -11.775 1.00 1.00 H new ATOM 0 HB VAL A 24 0.810 0.628 -9.415 1.00 1.00 H new ATOM 0 HG11 VAL A 24 1.143 -1.819 -9.391 1.00 1.00 H new ATOM 0 HG12 VAL A 24 0.304 -1.274 -10.863 1.00 1.00 H new ATOM 0 HG13 VAL A 24 2.029 -1.706 -10.930 1.00 1.00 H new ATOM 0 HG21 VAL A 24 2.757 -0.339 -8.242 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.733 -0.142 -9.717 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.099 1.290 -8.872 1.00 1.00 H new ATOM 376 N PRO A 25 0.897 1.091 -13.526 1.00 1.00 N ATOM 377 CA PRO A 25 -0.054 0.984 -14.612 1.00 1.00 C ATOM 378 C PRO A 25 -0.634 -0.422 -14.646 1.00 1.00 C ATOM 379 O PRO A 25 -1.654 -0.628 -15.302 1.00 1.00 O ATOM 380 CB PRO A 25 0.757 1.273 -15.873 1.00 1.00 C ATOM 381 CG PRO A 25 1.948 2.036 -15.415 1.00 1.00 C ATOM 382 CD PRO A 25 2.198 1.503 -14.006 1.00 1.00 C ATOM 0 HA PRO A 25 -0.893 1.672 -14.510 1.00 1.00 H new ATOM 0 HB2 PRO A 25 1.051 0.349 -16.371 1.00 1.00 H new ATOM 0 HB3 PRO A 25 0.174 1.850 -16.591 1.00 1.00 H new ATOM 0 HG2 PRO A 25 2.806 1.867 -16.065 1.00 1.00 H new ATOM 0 HG3 PRO A 25 1.758 3.109 -15.410 1.00 1.00 H new ATOM 0 HD2 PRO A 25 2.897 0.667 -14.018 1.00 1.00 H new ATOM 0 HD3 PRO A 25 2.631 2.271 -13.364 1.00 1.00 H new ATOM 390 N ASP A 26 0.013 -1.349 -13.954 1.00 1.00 N ATOM 391 CA ASP A 26 -0.457 -2.723 -13.922 1.00 1.00 C ATOM 392 C ASP A 26 -1.228 -2.964 -12.623 1.00 1.00 C ATOM 393 O ASP A 26 -0.635 -3.291 -11.597 1.00 1.00 O ATOM 394 CB ASP A 26 0.715 -3.707 -13.966 1.00 1.00 C ATOM 395 CG ASP A 26 2.086 -3.069 -14.199 1.00 1.00 C ATOM 396 OD1 ASP A 26 2.747 -3.329 -15.216 1.00 1.00 O ATOM 397 OD2 ASP A 26 2.477 -2.263 -13.271 1.00 1.00 O ATOM 0 H ASP A 26 0.859 -1.175 -13.411 1.00 1.00 H new ATOM 0 HA ASP A 26 -1.094 -2.882 -14.792 1.00 1.00 H new ATOM 0 HB2 ASP A 26 0.742 -4.258 -13.026 1.00 1.00 H new ATOM 0 HB3 ASP A 26 0.530 -4.434 -14.757 1.00 1.00 H new ATOM 403 N CYS A 27 -2.539 -2.793 -12.711 1.00 1.00 N ATOM 404 CA CYS A 27 -3.398 -2.988 -11.555 1.00 1.00 C ATOM 405 C CYS A 27 -3.582 -4.492 -11.342 1.00 1.00 C ATOM 406 O CYS A 27 -4.693 -5.008 -11.460 1.00 1.00 O ATOM 407 CB CYS A 27 -4.737 -2.266 -11.717 1.00 1.00 C ATOM 408 SG CYS A 27 -4.673 -0.752 -12.743 1.00 1.00 S ATOM 0 H CYS A 27 -3.027 -2.522 -13.564 1.00 1.00 H new ATOM 0 HA CYS A 27 -2.930 -2.552 -10.673 1.00 1.00 H new ATOM 0 HB2 CYS A 27 -5.455 -2.957 -12.158 1.00 1.00 H new ATOM 0 HB3 CYS A 27 -5.114 -2.003 -10.729 1.00 1.00 H new ATOM 413 N LYS A 28 -2.477 -5.153 -11.031 1.00 1.00 N ATOM 414 CA LYS A 28 -2.503 -6.588 -10.801 1.00 1.00 C ATOM 415 C LYS A 28 -1.585 -6.928 -9.625 1.00 1.00 C ATOM 416 O LYS A 28 -1.964 -7.689 -8.736 1.00 1.00 O ATOM 417 CB LYS A 28 -2.162 -7.344 -12.086 1.00 1.00 C ATOM 418 CG LYS A 28 -0.924 -6.748 -12.760 1.00 1.00 C ATOM 419 CD LYS A 28 -0.502 -7.584 -13.970 1.00 1.00 C ATOM 420 CE LYS A 28 0.869 -7.146 -14.488 1.00 1.00 C ATOM 421 NZ LYS A 28 1.587 -8.293 -15.089 1.00 1.00 N ATOM 0 H LYS A 28 -1.558 -4.722 -10.933 1.00 1.00 H new ATOM 0 HA LYS A 28 -3.507 -6.911 -10.526 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -1.986 -8.395 -11.858 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -3.009 -7.304 -12.771 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -1.134 -5.726 -13.075 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -0.104 -6.699 -12.044 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -0.471 -8.638 -13.695 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -1.243 -7.483 -14.763 1.00 1.00 H new ATOM 0 HE2 LYS A 28 0.749 -6.356 -15.229 1.00 1.00 H new ATOM 0 HE3 LYS A 28 1.457 -6.729 -13.670 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 2.516 -7.978 -15.436 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 1.718 -9.035 -14.372 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 1.032 -8.673 -15.882 1.00 1.00 H new ATOM 434 N LYS A 29 -0.395 -6.346 -9.658 1.00 1.00 N ATOM 435 CA LYS A 29 0.580 -6.578 -8.606 1.00 1.00 C ATOM 436 C LYS A 29 -0.037 -6.212 -7.255 1.00 1.00 C ATOM 437 O LYS A 29 0.435 -6.661 -6.211 1.00 1.00 O ATOM 438 CB LYS A 29 1.882 -5.834 -8.909 1.00 1.00 C ATOM 439 CG LYS A 29 2.405 -6.189 -10.302 1.00 1.00 C ATOM 440 CD LYS A 29 3.414 -7.338 -10.233 1.00 1.00 C ATOM 441 CE LYS A 29 4.646 -7.038 -11.088 1.00 1.00 C ATOM 442 NZ LYS A 29 4.983 -8.201 -11.939 1.00 1.00 N ATOM 0 H LYS A 29 -0.084 -5.715 -10.396 1.00 1.00 H new ATOM 0 HA LYS A 29 0.846 -7.634 -8.560 1.00 1.00 H new ATOM 0 HB2 LYS A 29 1.715 -4.759 -8.843 1.00 1.00 H new ATOM 0 HB3 LYS A 29 2.632 -6.087 -8.160 1.00 1.00 H new ATOM 0 HG2 LYS A 29 1.572 -6.470 -10.946 1.00 1.00 H new ATOM 0 HG3 LYS A 29 2.875 -5.314 -10.752 1.00 1.00 H new ATOM 0 HD2 LYS A 29 3.716 -7.500 -9.198 1.00 1.00 H new ATOM 0 HD3 LYS A 29 2.945 -8.260 -10.576 1.00 1.00 H new ATOM 0 HE2 LYS A 29 4.458 -6.165 -11.713 1.00 1.00 H new ATOM 0 HE3 LYS A 29 5.491 -6.794 -10.445 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 5.822 -7.980 -12.513 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 5.183 -9.025 -11.337 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 4.182 -8.416 -12.566 1.00 1.00 H new ATOM 455 N CYS A 30 -1.082 -5.400 -7.318 1.00 1.00 N ATOM 456 CA CYS A 30 -1.768 -4.969 -6.112 1.00 1.00 C ATOM 457 C CYS A 30 -3.121 -5.681 -6.048 1.00 1.00 C ATOM 458 O CYS A 30 -3.602 -6.012 -4.966 1.00 1.00 O ATOM 459 CB CYS A 30 -1.922 -3.447 -6.062 1.00 1.00 C ATOM 460 SG CYS A 30 -0.768 -2.742 -4.829 1.00 1.00 S ATOM 0 H CYS A 30 -1.470 -5.029 -8.185 1.00 1.00 H new ATOM 0 HA CYS A 30 -1.175 -5.238 -5.238 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -1.722 -3.020 -7.045 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -2.948 -3.185 -5.803 1.00 1.00 H new ATOM 465 N HIS A 31 -3.697 -5.896 -7.222 1.00 1.00 N ATOM 466 CA HIS A 31 -4.984 -6.563 -7.313 1.00 1.00 C ATOM 467 C HIS A 31 -4.800 -7.952 -7.926 1.00 1.00 C ATOM 468 O HIS A 31 -4.570 -8.080 -9.127 1.00 1.00 O ATOM 469 CB HIS A 31 -5.988 -5.703 -8.085 1.00 1.00 C ATOM 470 CG HIS A 31 -6.415 -4.453 -7.354 1.00 1.00 C ATOM 471 ND1 HIS A 31 -7.249 -4.478 -6.249 1.00 1.00 N ATOM 472 CD2 HIS A 31 -6.115 -3.142 -7.580 1.00 1.00 C ATOM 473 CE1 HIS A 31 -7.436 -3.233 -5.838 1.00 1.00 C ATOM 474 NE2 HIS A 31 -6.733 -2.406 -6.664 1.00 1.00 N ATOM 0 H HIS A 31 -3.296 -5.620 -8.118 1.00 1.00 H new ATOM 0 HA HIS A 31 -5.400 -6.697 -6.314 1.00 1.00 H new ATOM 0 HB2 HIS A 31 -5.549 -5.420 -9.042 1.00 1.00 H new ATOM 0 HB3 HIS A 31 -6.871 -6.303 -8.305 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -7.651 -5.313 -5.824 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -5.482 -2.766 -8.370 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -8.039 -2.926 -4.996 1.00 1.00 H new ATOM 482 N GLU A 32 -4.908 -8.960 -7.071 1.00 1.00 N ATOM 483 CA GLU A 32 -4.756 -10.335 -7.513 1.00 1.00 C ATOM 484 C GLU A 32 -5.956 -10.755 -8.364 1.00 1.00 C ATOM 485 O GLU A 32 -6.025 -10.432 -9.549 1.00 1.00 O ATOM 486 CB GLU A 32 -4.573 -11.277 -6.321 1.00 1.00 C ATOM 487 CG GLU A 32 -4.563 -12.738 -6.774 1.00 1.00 C ATOM 488 CD GLU A 32 -3.197 -13.380 -6.525 1.00 1.00 C ATOM 489 OE1 GLU A 32 -2.724 -13.408 -5.378 1.00 1.00 O ATOM 490 OE2 GLU A 32 -2.622 -13.863 -7.574 1.00 1.00 O ATOM 0 H GLU A 32 -5.099 -8.851 -6.075 1.00 1.00 H new ATOM 0 HA GLU A 32 -3.858 -10.401 -8.128 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -3.639 -11.045 -5.809 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -5.378 -11.121 -5.602 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -5.333 -13.294 -6.239 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -4.808 -12.795 -7.835 1.00 1.00 H new ATOM 498 N LYS A 33 -6.873 -11.468 -7.727 1.00 1.00 N ATOM 499 CA LYS A 33 -8.067 -11.935 -8.411 1.00 1.00 C ATOM 500 C LYS A 33 -8.559 -10.849 -9.369 1.00 1.00 C ATOM 501 O LYS A 33 -9.148 -11.150 -10.406 1.00 1.00 O ATOM 502 CB LYS A 33 -9.122 -12.387 -7.399 1.00 1.00 C ATOM 503 CG LYS A 33 -8.773 -13.759 -6.819 1.00 1.00 C ATOM 504 CD LYS A 33 -8.254 -13.632 -5.385 1.00 1.00 C ATOM 505 CE LYS A 33 -7.445 -14.868 -4.984 1.00 1.00 C ATOM 506 NZ LYS A 33 -8.194 -15.680 -4.000 1.00 1.00 N ATOM 0 H LYS A 33 -6.813 -11.734 -6.744 1.00 1.00 H new ATOM 0 HA LYS A 33 -7.841 -12.814 -9.015 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -9.196 -11.656 -6.594 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -10.099 -12.430 -7.881 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -9.655 -14.400 -6.835 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -8.018 -14.240 -7.441 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -7.632 -12.741 -5.297 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -9.093 -13.504 -4.701 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -7.225 -15.468 -5.867 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -6.489 -14.562 -4.560 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -7.631 -16.515 -3.738 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -8.383 -15.110 -3.151 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -9.095 -15.987 -4.418 1.00 1.00 H new ATOM 519 N GLY A 34 -8.299 -9.606 -8.987 1.00 1.00 N ATOM 520 CA GLY A 34 -8.708 -8.473 -9.799 1.00 1.00 C ATOM 521 C GLY A 34 -8.959 -7.239 -8.931 1.00 1.00 C ATOM 522 O GLY A 34 -8.896 -7.280 -7.704 1.00 1.00 O ATOM 0 H GLY A 34 -7.810 -9.360 -8.126 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -7.936 -8.252 -10.537 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -9.614 -8.724 -10.351 1.00 1.00 H new ATOM 526 N PRO A 35 -9.247 -6.123 -9.606 1.00 1.00 N ATOM 527 CA PRO A 35 -9.521 -4.844 -8.988 1.00 1.00 C ATOM 528 C PRO A 35 -10.622 -5.003 -7.950 1.00 1.00 C ATOM 529 O PRO A 35 -11.690 -5.509 -8.290 1.00 1.00 O ATOM 530 CB PRO A 35 -9.976 -3.944 -10.136 1.00 1.00 C ATOM 531 CG PRO A 35 -10.354 -4.941 -11.322 1.00 1.00 C ATOM 532 CD PRO A 35 -9.329 -6.040 -11.048 1.00 1.00 C ATOM 0 HA PRO A 35 -8.656 -4.428 -8.472 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -10.832 -3.336 -9.844 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -9.185 -3.257 -10.436 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -11.382 -5.299 -11.259 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -10.233 -4.489 -12.306 1.00 1.00 H new ATOM 0 HD2 PRO A 35 -9.643 -6.990 -11.481 1.00 1.00 H new ATOM 0 HD3 PRO A 35 -8.361 -5.795 -11.485 1.00 1.00 H new ATOM 540 N GLY A 36 -10.349 -4.578 -6.725 1.00 1.00 N ATOM 541 CA GLY A 36 -11.332 -4.685 -5.660 1.00 1.00 C ATOM 542 C GLY A 36 -10.673 -5.116 -4.348 1.00 1.00 C ATOM 543 O GLY A 36 -9.466 -4.954 -4.173 1.00 1.00 O ATOM 0 H GLY A 36 -9.462 -4.159 -6.446 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -11.831 -3.726 -5.523 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -12.100 -5.406 -5.940 1.00 1.00 H new ATOM 547 N LYS A 37 -11.494 -5.656 -3.459 1.00 1.00 N ATOM 548 CA LYS A 37 -11.006 -6.110 -2.168 1.00 1.00 C ATOM 549 C LYS A 37 -9.903 -7.149 -2.382 1.00 1.00 C ATOM 550 O LYS A 37 -9.914 -7.876 -3.374 1.00 1.00 O ATOM 551 CB LYS A 37 -12.164 -6.613 -1.304 1.00 1.00 C ATOM 552 CG LYS A 37 -12.564 -8.037 -1.697 1.00 1.00 C ATOM 553 CD LYS A 37 -13.609 -8.599 -0.732 1.00 1.00 C ATOM 554 CE LYS A 37 -14.231 -9.883 -1.285 1.00 1.00 C ATOM 555 NZ LYS A 37 -14.781 -10.708 -0.185 1.00 1.00 N ATOM 0 H LYS A 37 -12.494 -5.789 -3.608 1.00 1.00 H new ATOM 0 HA LYS A 37 -10.563 -5.282 -1.616 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -11.875 -6.590 -0.253 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -13.020 -5.948 -1.414 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -12.962 -8.040 -2.712 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -11.683 -8.679 -1.699 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -13.146 -8.802 0.234 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -14.389 -7.857 -0.562 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -15.022 -9.635 -1.993 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -13.480 -10.451 -1.833 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -15.199 -11.576 -0.577 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -14.018 -10.960 0.475 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -15.513 -10.169 0.321 1.00 1.00 H new ATOM 568 N ILE A 38 -8.976 -7.184 -1.436 1.00 1.00 N ATOM 569 CA ILE A 38 -7.868 -8.121 -1.508 1.00 1.00 C ATOM 570 C ILE A 38 -7.974 -9.120 -0.353 1.00 1.00 C ATOM 571 O ILE A 38 -8.178 -8.727 0.795 1.00 1.00 O ATOM 572 CB ILE A 38 -6.535 -7.372 -1.553 1.00 1.00 C ATOM 573 CG1 ILE A 38 -6.577 -6.239 -2.581 1.00 1.00 C ATOM 574 CG2 ILE A 38 -5.373 -8.335 -1.808 1.00 1.00 C ATOM 575 CD1 ILE A 38 -5.409 -5.272 -2.379 1.00 1.00 C ATOM 0 H ILE A 38 -8.970 -6.578 -0.615 1.00 1.00 H new ATOM 0 HA ILE A 38 -7.915 -8.696 -2.433 1.00 1.00 H new ATOM 0 HB ILE A 38 -6.367 -6.916 -0.578 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -6.539 -6.655 -3.588 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -7.520 -5.699 -2.494 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -4.437 -7.777 -1.835 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.331 -9.075 -1.008 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.522 -8.840 -2.762 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -5.462 -4.477 -3.122 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.463 -4.839 -1.380 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.468 -5.810 -2.491 1.00 1.00 H new ATOM 587 N GLU A 39 -7.830 -10.391 -0.697 1.00 1.00 N ATOM 588 CA GLU A 39 -7.907 -11.448 0.296 1.00 1.00 C ATOM 589 C GLU A 39 -6.506 -11.818 0.787 1.00 1.00 C ATOM 590 O GLU A 39 -5.626 -12.130 -0.014 1.00 1.00 O ATOM 591 CB GLU A 39 -8.634 -12.673 -0.262 1.00 1.00 C ATOM 592 CG GLU A 39 -10.094 -12.700 0.195 1.00 1.00 C ATOM 593 CD GLU A 39 -10.899 -13.730 -0.601 1.00 1.00 C ATOM 594 OE1 GLU A 39 -11.740 -13.353 -1.430 1.00 1.00 O ATOM 595 OE2 GLU A 39 -10.624 -14.961 -0.333 1.00 1.00 O ATOM 0 H GLU A 39 -7.660 -10.713 -1.650 1.00 1.00 H new ATOM 0 HA GLU A 39 -8.483 -11.081 1.145 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -8.590 -12.661 -1.351 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -8.129 -13.581 0.068 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -10.142 -12.938 1.258 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -10.536 -11.712 0.070 1.00 1.00 H new ATOM 603 N GLY A 40 -6.342 -11.772 2.101 1.00 1.00 N ATOM 604 CA GLY A 40 -5.063 -12.099 2.707 1.00 1.00 C ATOM 605 C GLY A 40 -4.403 -10.852 3.300 1.00 1.00 C ATOM 606 O GLY A 40 -3.903 -10.885 4.423 1.00 1.00 O ATOM 0 H GLY A 40 -7.074 -11.513 2.763 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -5.207 -12.845 3.488 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -4.405 -12.543 1.960 1.00 1.00 H new ATOM 610 N PHE A 41 -4.422 -9.783 2.518 1.00 1.00 N ATOM 611 CA PHE A 41 -3.832 -8.528 2.951 1.00 1.00 C ATOM 612 C PHE A 41 -4.581 -7.957 4.157 1.00 1.00 C ATOM 613 O PHE A 41 -5.797 -8.107 4.265 1.00 1.00 O ATOM 614 CB PHE A 41 -3.952 -7.550 1.781 1.00 1.00 C ATOM 615 CG PHE A 41 -3.330 -6.178 2.050 1.00 1.00 C ATOM 616 CD1 PHE A 41 -3.970 -5.287 2.854 1.00 1.00 C ATOM 617 CD2 PHE A 41 -2.137 -5.850 1.486 1.00 1.00 C ATOM 618 CE1 PHE A 41 -3.393 -4.014 3.104 1.00 1.00 C ATOM 619 CE2 PHE A 41 -1.560 -4.576 1.735 1.00 1.00 C ATOM 620 CZ PHE A 41 -2.200 -3.686 2.539 1.00 1.00 C ATOM 0 H PHE A 41 -4.837 -9.760 1.587 1.00 1.00 H new ATOM 0 HA PHE A 41 -2.794 -8.686 3.244 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -3.475 -7.988 0.904 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -5.006 -7.418 1.538 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -4.917 -5.548 3.302 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -1.628 -6.558 0.849 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -3.901 -3.306 3.742 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -0.613 -4.315 1.286 1.00 1.00 H new ATOM 0 HZ PHE A 41 -1.761 -2.718 2.729 1.00 1.00 H new ATOM 630 N GLY A 42 -3.823 -7.314 5.033 1.00 1.00 N ATOM 631 CA GLY A 42 -4.400 -6.719 6.227 1.00 1.00 C ATOM 632 C GLY A 42 -3.327 -6.026 7.068 1.00 1.00 C ATOM 633 O GLY A 42 -3.593 -5.008 7.704 1.00 1.00 O ATOM 0 H GLY A 42 -2.815 -7.192 4.940 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -5.167 -5.998 5.944 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -4.891 -7.490 6.821 1.00 1.00 H new ATOM 637 N LYS A 43 -2.136 -6.607 7.044 1.00 1.00 N ATOM 638 CA LYS A 43 -1.021 -6.058 7.797 1.00 1.00 C ATOM 639 C LYS A 43 0.290 -6.611 7.235 1.00 1.00 C ATOM 640 O LYS A 43 0.973 -5.937 6.465 1.00 1.00 O ATOM 641 CB LYS A 43 -1.206 -6.316 9.294 1.00 1.00 C ATOM 642 CG LYS A 43 -0.255 -5.448 10.121 1.00 1.00 C ATOM 643 CD LYS A 43 0.526 -6.297 11.127 1.00 1.00 C ATOM 644 CE LYS A 43 0.557 -5.627 12.502 1.00 1.00 C ATOM 645 NZ LYS A 43 1.951 -5.345 12.910 1.00 1.00 N ATOM 0 H LYS A 43 -1.919 -7.452 6.515 1.00 1.00 H new ATOM 0 HA LYS A 43 -0.984 -4.974 7.686 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -2.237 -6.105 9.578 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -1.025 -7.369 9.511 1.00 1.00 H new ATOM 0 HG2 LYS A 43 0.440 -4.931 9.459 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -0.822 -4.682 10.649 1.00 1.00 H new ATOM 0 HD2 LYS A 43 0.068 -7.283 11.209 1.00 1.00 H new ATOM 0 HD3 LYS A 43 1.544 -6.447 10.769 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -0.015 -4.699 12.474 1.00 1.00 H new ATOM 0 HE3 LYS A 43 0.080 -6.273 13.239 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 2.240 -6.018 13.648 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 2.580 -5.443 12.088 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 2.015 -4.376 13.281 1.00 1.00 H new ATOM 658 N GLU A 44 0.602 -7.833 7.642 1.00 1.00 N ATOM 659 CA GLU A 44 1.819 -8.484 7.188 1.00 1.00 C ATOM 660 C GLU A 44 2.100 -8.127 5.727 1.00 1.00 C ATOM 661 O GLU A 44 3.203 -7.700 5.390 1.00 1.00 O ATOM 662 CB GLU A 44 1.732 -10.000 7.375 1.00 1.00 C ATOM 663 CG GLU A 44 2.840 -10.714 6.598 1.00 1.00 C ATOM 664 CD GLU A 44 4.202 -10.492 7.259 1.00 1.00 C ATOM 665 OE1 GLU A 44 4.938 -11.460 7.501 1.00 1.00 O ATOM 666 OE2 GLU A 44 4.488 -9.262 7.521 1.00 1.00 O ATOM 0 H GLU A 44 0.033 -8.389 8.281 1.00 1.00 H new ATOM 0 HA GLU A 44 2.649 -8.123 7.795 1.00 1.00 H new ATOM 0 HB2 GLU A 44 1.811 -10.244 8.434 1.00 1.00 H new ATOM 0 HB3 GLU A 44 0.759 -10.356 7.037 1.00 1.00 H new ATOM 0 HG2 GLU A 44 2.625 -11.781 6.549 1.00 1.00 H new ATOM 0 HG3 GLU A 44 2.865 -10.346 5.572 1.00 1.00 H new ATOM 674 N MET A 45 1.083 -8.315 4.899 1.00 1.00 N ATOM 675 CA MET A 45 1.206 -8.018 3.482 1.00 1.00 C ATOM 676 C MET A 45 1.817 -6.632 3.264 1.00 1.00 C ATOM 677 O MET A 45 2.796 -6.490 2.532 1.00 1.00 O ATOM 678 CB MET A 45 -0.175 -8.076 2.826 1.00 1.00 C ATOM 679 CG MET A 45 -0.477 -9.484 2.308 1.00 1.00 C ATOM 680 SD MET A 45 -0.994 -9.408 0.601 1.00 1.00 S ATOM 681 CE MET A 45 -1.772 -11.007 0.442 1.00 1.00 C ATOM 0 H MET A 45 0.170 -8.670 5.183 1.00 1.00 H new ATOM 0 HA MET A 45 1.864 -8.760 3.030 1.00 1.00 H new ATOM 0 HB2 MET A 45 -0.937 -7.779 3.547 1.00 1.00 H new ATOM 0 HB3 MET A 45 -0.220 -7.364 2.002 1.00 1.00 H new ATOM 0 HG2 MET A 45 0.409 -10.112 2.401 1.00 1.00 H new ATOM 0 HG3 MET A 45 -1.258 -9.943 2.913 1.00 1.00 H new ATOM 0 HE1 MET A 45 -1.599 -11.398 -0.561 1.00 1.00 H new ATOM 0 HE2 MET A 45 -1.349 -11.692 1.177 1.00 1.00 H new ATOM 0 HE3 MET A 45 -2.844 -10.909 0.613 1.00 1.00 H new ATOM 691 N ALA A 46 1.215 -5.646 3.912 1.00 1.00 N ATOM 692 CA ALA A 46 1.688 -4.277 3.799 1.00 1.00 C ATOM 693 C ALA A 46 3.145 -4.205 4.262 1.00 1.00 C ATOM 694 O ALA A 46 3.976 -3.572 3.613 1.00 1.00 O ATOM 695 CB ALA A 46 0.773 -3.352 4.604 1.00 1.00 C ATOM 0 H ALA A 46 0.403 -5.768 4.518 1.00 1.00 H new ATOM 0 HA ALA A 46 1.656 -3.944 2.762 1.00 1.00 H new ATOM 0 HB1 ALA A 46 1.128 -2.325 4.519 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -0.243 -3.418 4.216 1.00 1.00 H new ATOM 0 HB3 ALA A 46 0.782 -3.653 5.651 1.00 1.00 H new ATOM 701 N HIS A 47 3.409 -4.862 5.382 1.00 1.00 N ATOM 702 CA HIS A 47 4.750 -4.880 5.940 1.00 1.00 C ATOM 703 C HIS A 47 5.646 -5.788 5.095 1.00 1.00 C ATOM 704 O HIS A 47 6.827 -5.955 5.395 1.00 1.00 O ATOM 705 CB HIS A 47 4.720 -5.284 7.415 1.00 1.00 C ATOM 706 CG HIS A 47 3.911 -4.355 8.290 1.00 1.00 C ATOM 707 ND1 HIS A 47 3.011 -4.812 9.237 1.00 1.00 N ATOM 708 CD2 HIS A 47 3.875 -2.993 8.350 1.00 1.00 C ATOM 709 CE1 HIS A 47 2.465 -3.763 9.835 1.00 1.00 C ATOM 710 NE2 HIS A 47 3.001 -2.637 9.283 1.00 1.00 N ATOM 0 H HIS A 47 2.717 -5.386 5.918 1.00 1.00 H new ATOM 0 HA HIS A 47 5.174 -3.876 5.907 1.00 1.00 H new ATOM 0 HB2 HIS A 47 4.312 -6.291 7.497 1.00 1.00 H new ATOM 0 HB3 HIS A 47 5.742 -5.323 7.791 1.00 1.00 H new ATOM 0 HD1 HIS A 47 2.803 -5.790 9.440 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.459 -2.318 7.741 1.00 1.00 H new ATOM 0 HE1 HIS A 47 1.725 -3.794 10.621 1.00 1.00 H new ATOM 718 N GLY A 48 5.049 -6.352 4.055 1.00 1.00 N ATOM 719 CA GLY A 48 5.777 -7.240 3.165 1.00 1.00 C ATOM 720 C GLY A 48 5.183 -7.210 1.755 1.00 1.00 C ATOM 721 O GLY A 48 4.874 -6.142 1.230 1.00 1.00 O ATOM 0 H GLY A 48 4.069 -6.211 3.809 1.00 1.00 H new ATOM 0 HA2 GLY A 48 6.826 -6.944 3.128 1.00 1.00 H new ATOM 0 HA3 GLY A 48 5.746 -8.257 3.555 1.00 1.00 H new ATOM 725 N LYS A 49 5.042 -8.396 1.182 1.00 1.00 N ATOM 726 CA LYS A 49 4.491 -8.520 -0.157 1.00 1.00 C ATOM 727 C LYS A 49 3.074 -7.942 -0.176 1.00 1.00 C ATOM 728 O LYS A 49 2.097 -8.682 -0.076 1.00 1.00 O ATOM 729 CB LYS A 49 4.570 -9.971 -0.637 1.00 1.00 C ATOM 730 CG LYS A 49 4.627 -10.040 -2.164 1.00 1.00 C ATOM 731 CD LYS A 49 5.844 -10.842 -2.631 1.00 1.00 C ATOM 732 CE LYS A 49 6.364 -10.319 -3.971 1.00 1.00 C ATOM 733 NZ LYS A 49 5.348 -10.506 -5.030 1.00 1.00 N ATOM 0 H LYS A 49 5.300 -9.280 1.621 1.00 1.00 H new ATOM 0 HA LYS A 49 5.082 -7.941 -0.867 1.00 1.00 H new ATOM 0 HB2 LYS A 49 5.453 -10.450 -0.214 1.00 1.00 H new ATOM 0 HB3 LYS A 49 3.703 -10.525 -0.276 1.00 1.00 H new ATOM 0 HG2 LYS A 49 3.715 -10.500 -2.545 1.00 1.00 H new ATOM 0 HG3 LYS A 49 4.671 -9.032 -2.576 1.00 1.00 H new ATOM 0 HD2 LYS A 49 6.633 -10.781 -1.882 1.00 1.00 H new ATOM 0 HD3 LYS A 49 5.576 -11.894 -2.727 1.00 1.00 H new ATOM 0 HE2 LYS A 49 6.615 -9.262 -3.883 1.00 1.00 H new ATOM 0 HE3 LYS A 49 7.281 -10.843 -4.242 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 5.763 -10.273 -5.955 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 5.029 -11.496 -5.034 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 4.537 -9.881 -4.847 1.00 1.00 H new ATOM 746 N GLY A 50 3.009 -6.625 -0.304 1.00 1.00 N ATOM 747 CA GLY A 50 1.728 -5.939 -0.337 1.00 1.00 C ATOM 748 C GLY A 50 1.918 -4.430 -0.502 1.00 1.00 C ATOM 749 O GLY A 50 1.230 -3.798 -1.301 1.00 1.00 O ATOM 0 H GLY A 50 3.822 -6.015 -0.386 1.00 1.00 H new ATOM 0 HA2 GLY A 50 1.126 -6.325 -1.159 1.00 1.00 H new ATOM 0 HA3 GLY A 50 1.179 -6.142 0.583 1.00 1.00 H new ATOM 753 N CYS A 51 2.855 -3.897 0.268 1.00 1.00 N ATOM 754 CA CYS A 51 3.145 -2.474 0.218 1.00 1.00 C ATOM 755 C CYS A 51 4.660 -2.288 0.314 1.00 1.00 C ATOM 756 O CYS A 51 5.268 -1.661 -0.552 1.00 1.00 O ATOM 757 CB CYS A 51 2.405 -1.707 1.317 1.00 1.00 C ATOM 758 SG CYS A 51 0.609 -2.042 1.410 1.00 1.00 S ATOM 0 H CYS A 51 3.423 -4.425 0.930 1.00 1.00 H new ATOM 0 HA CYS A 51 2.789 -2.061 -0.726 1.00 1.00 H new ATOM 0 HB2 CYS A 51 2.856 -1.952 2.278 1.00 1.00 H new ATOM 0 HB3 CYS A 51 2.553 -0.639 1.158 1.00 1.00 H new ATOM 763 N LYS A 52 5.227 -2.845 1.375 1.00 1.00 N ATOM 764 CA LYS A 52 6.660 -2.748 1.595 1.00 1.00 C ATOM 765 C LYS A 52 7.391 -3.566 0.528 1.00 1.00 C ATOM 766 O LYS A 52 8.292 -3.058 -0.139 1.00 1.00 O ATOM 767 CB LYS A 52 7.010 -3.154 3.028 1.00 1.00 C ATOM 768 CG LYS A 52 7.475 -1.944 3.842 1.00 1.00 C ATOM 769 CD LYS A 52 8.665 -2.307 4.732 1.00 1.00 C ATOM 770 CE LYS A 52 9.951 -2.416 3.910 1.00 1.00 C ATOM 771 NZ LYS A 52 11.138 -2.346 4.793 1.00 1.00 N ATOM 0 H LYS A 52 4.720 -3.365 2.091 1.00 1.00 H new ATOM 0 HA LYS A 52 6.993 -1.716 1.490 1.00 1.00 H new ATOM 0 HB2 LYS A 52 6.140 -3.605 3.505 1.00 1.00 H new ATOM 0 HB3 LYS A 52 7.794 -3.911 3.014 1.00 1.00 H new ATOM 0 HG2 LYS A 52 7.754 -1.134 3.169 1.00 1.00 H new ATOM 0 HG3 LYS A 52 6.654 -1.578 4.458 1.00 1.00 H new ATOM 0 HD2 LYS A 52 8.788 -1.551 5.507 1.00 1.00 H new ATOM 0 HD3 LYS A 52 8.471 -3.253 5.237 1.00 1.00 H new ATOM 0 HE2 LYS A 52 9.957 -3.355 3.356 1.00 1.00 H new ATOM 0 HE3 LYS A 52 9.989 -1.612 3.175 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 11.994 -2.556 4.241 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 11.213 -1.391 5.198 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 11.041 -3.041 5.560 1.00 1.00 H new ATOM 784 N GLY A 53 6.977 -4.818 0.400 1.00 1.00 N ATOM 785 CA GLY A 53 7.582 -5.710 -0.574 1.00 1.00 C ATOM 786 C GLY A 53 7.934 -4.960 -1.860 1.00 1.00 C ATOM 787 O GLY A 53 9.044 -5.089 -2.375 1.00 1.00 O ATOM 0 H GLY A 53 6.230 -5.236 0.955 1.00 1.00 H new ATOM 0 HA2 GLY A 53 8.482 -6.158 -0.152 1.00 1.00 H new ATOM 0 HA3 GLY A 53 6.896 -6.526 -0.801 1.00 1.00 H new ATOM 791 N CYS A 54 6.968 -4.192 -2.343 1.00 1.00 N ATOM 792 CA CYS A 54 7.162 -3.421 -3.560 1.00 1.00 C ATOM 793 C CYS A 54 8.068 -2.232 -3.235 1.00 1.00 C ATOM 794 O CYS A 54 8.958 -1.894 -4.014 1.00 1.00 O ATOM 795 CB CYS A 54 5.830 -2.976 -4.166 1.00 1.00 C ATOM 796 SG CYS A 54 6.105 -2.272 -5.832 1.00 1.00 S ATOM 0 H CYS A 54 6.049 -4.087 -1.914 1.00 1.00 H new ATOM 0 HA CYS A 54 7.639 -4.044 -4.317 1.00 1.00 H new ATOM 0 HB2 CYS A 54 5.148 -3.824 -4.229 1.00 1.00 H new ATOM 0 HB3 CYS A 54 5.358 -2.234 -3.522 1.00 1.00 H new ATOM 801 N HIS A 55 7.810 -1.629 -2.084 1.00 1.00 N ATOM 802 CA HIS A 55 8.590 -0.484 -1.646 1.00 1.00 C ATOM 803 C HIS A 55 10.061 -0.885 -1.518 1.00 1.00 C ATOM 804 O HIS A 55 10.947 -0.168 -1.982 1.00 1.00 O ATOM 805 CB HIS A 55 8.020 0.100 -0.352 1.00 1.00 C ATOM 806 CG HIS A 55 6.649 0.712 -0.507 1.00 1.00 C ATOM 807 ND1 HIS A 55 5.808 0.949 0.566 1.00 1.00 N ATOM 808 CD2 HIS A 55 5.981 1.134 -1.620 1.00 1.00 C ATOM 809 CE1 HIS A 55 4.687 1.488 0.109 1.00 1.00 C ATOM 810 NE2 HIS A 55 4.796 1.601 -1.246 1.00 1.00 N ATOM 0 H HIS A 55 7.071 -1.912 -1.441 1.00 1.00 H new ATOM 0 HA HIS A 55 8.528 0.309 -2.391 1.00 1.00 H new ATOM 0 HB2 HIS A 55 7.972 -0.688 0.400 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.705 0.859 0.025 1.00 1.00 H new ATOM 0 HD1 HIS A 55 6.016 0.744 1.543 1.00 1.00 H new ATOM 0 HD2 HIS A 55 6.353 1.095 -2.633 1.00 1.00 H new ATOM 0 HE1 HIS A 55 3.837 1.786 0.705 1.00 1.00 H new ATOM 818 N GLU A 56 10.277 -2.030 -0.886 1.00 1.00 N ATOM 819 CA GLU A 56 11.625 -2.534 -0.691 1.00 1.00 C ATOM 820 C GLU A 56 12.143 -3.178 -1.979 1.00 1.00 C ATOM 821 O GLU A 56 13.351 -3.259 -2.194 1.00 1.00 O ATOM 822 CB GLU A 56 11.677 -3.524 0.475 1.00 1.00 C ATOM 823 CG GLU A 56 10.466 -4.459 0.455 1.00 1.00 C ATOM 824 CD GLU A 56 10.867 -5.885 0.836 1.00 1.00 C ATOM 825 OE1 GLU A 56 11.589 -6.549 0.078 1.00 1.00 O ATOM 826 OE2 GLU A 56 10.403 -6.299 1.966 1.00 1.00 O ATOM 0 H GLU A 56 9.541 -2.622 -0.503 1.00 1.00 H new ATOM 0 HA GLU A 56 12.273 -1.694 -0.441 1.00 1.00 H new ATOM 0 HB2 GLU A 56 12.594 -4.110 0.418 1.00 1.00 H new ATOM 0 HB3 GLU A 56 11.705 -2.979 1.419 1.00 1.00 H new ATOM 0 HG2 GLU A 56 9.708 -4.093 1.148 1.00 1.00 H new ATOM 0 HG3 GLU A 56 10.017 -4.457 -0.538 1.00 1.00 H new ATOM 834 N GLU A 57 11.203 -3.618 -2.802 1.00 1.00 N ATOM 835 CA GLU A 57 11.549 -4.251 -4.063 1.00 1.00 C ATOM 836 C GLU A 57 11.889 -3.192 -5.113 1.00 1.00 C ATOM 837 O GLU A 57 12.799 -3.382 -5.919 1.00 1.00 O ATOM 838 CB GLU A 57 10.418 -5.161 -4.549 1.00 1.00 C ATOM 839 CG GLU A 57 10.677 -5.643 -5.977 1.00 1.00 C ATOM 840 CD GLU A 57 11.977 -6.446 -6.057 1.00 1.00 C ATOM 841 OE1 GLU A 57 13.068 -5.877 -5.900 1.00 1.00 O ATOM 842 OE2 GLU A 57 11.827 -7.705 -6.293 1.00 1.00 O ATOM 0 H GLU A 57 10.202 -3.549 -2.620 1.00 1.00 H new ATOM 0 HA GLU A 57 12.430 -4.874 -3.904 1.00 1.00 H new ATOM 0 HB2 GLU A 57 10.325 -6.019 -3.883 1.00 1.00 H new ATOM 0 HB3 GLU A 57 9.471 -4.623 -4.509 1.00 1.00 H new ATOM 0 HG2 GLU A 57 9.843 -6.259 -6.313 1.00 1.00 H new ATOM 0 HG3 GLU A 57 10.732 -4.787 -6.649 1.00 1.00 H new ATOM 850 N MET A 58 11.141 -2.099 -5.070 1.00 1.00 N ATOM 851 CA MET A 58 11.352 -1.010 -6.007 1.00 1.00 C ATOM 852 C MET A 58 12.266 0.061 -5.407 1.00 1.00 C ATOM 853 O MET A 58 13.153 0.576 -6.085 1.00 1.00 O ATOM 854 CB MET A 58 10.006 -0.384 -6.375 1.00 1.00 C ATOM 855 CG MET A 58 9.131 -1.378 -7.142 1.00 1.00 C ATOM 856 SD MET A 58 7.970 -0.499 -8.175 1.00 1.00 S ATOM 857 CE MET A 58 8.312 -1.268 -9.749 1.00 1.00 C ATOM 0 H MET A 58 10.388 -1.945 -4.400 1.00 1.00 H new ATOM 0 HA MET A 58 11.832 -1.412 -6.899 1.00 1.00 H new ATOM 0 HB2 MET A 58 9.490 -0.063 -5.470 1.00 1.00 H new ATOM 0 HB3 MET A 58 10.169 0.507 -6.982 1.00 1.00 H new ATOM 0 HG2 MET A 58 9.756 -2.028 -7.755 1.00 1.00 H new ATOM 0 HG3 MET A 58 8.595 -2.019 -6.442 1.00 1.00 H new ATOM 0 HE1 MET A 58 7.669 -0.833 -10.514 1.00 1.00 H new ATOM 0 HE2 MET A 58 9.356 -1.102 -10.016 1.00 1.00 H new ATOM 0 HE3 MET A 58 8.121 -2.339 -9.680 1.00 1.00 H new ATOM 867 N LYS A 59 12.017 0.363 -4.141 1.00 1.00 N ATOM 868 CA LYS A 59 12.806 1.363 -3.442 1.00 1.00 C ATOM 869 C LYS A 59 12.328 2.759 -3.848 1.00 1.00 C ATOM 870 O LYS A 59 13.140 3.642 -4.119 1.00 1.00 O ATOM 871 CB LYS A 59 14.299 1.131 -3.681 1.00 1.00 C ATOM 872 CG LYS A 59 15.034 0.888 -2.361 1.00 1.00 C ATOM 873 CD LYS A 59 15.225 -0.609 -2.107 1.00 1.00 C ATOM 874 CE LYS A 59 16.698 -0.938 -1.853 1.00 1.00 C ATOM 875 NZ LYS A 59 16.941 -1.145 -0.408 1.00 1.00 N ATOM 0 H LYS A 59 11.280 -0.067 -3.582 1.00 1.00 H new ATOM 0 HA LYS A 59 12.662 1.277 -2.365 1.00 1.00 H new ATOM 0 HB2 LYS A 59 14.437 0.275 -4.341 1.00 1.00 H new ATOM 0 HB3 LYS A 59 14.729 1.996 -4.187 1.00 1.00 H new ATOM 0 HG2 LYS A 59 16.005 1.383 -2.385 1.00 1.00 H new ATOM 0 HG3 LYS A 59 14.470 1.331 -1.540 1.00 1.00 H new ATOM 0 HD2 LYS A 59 14.627 -0.915 -1.249 1.00 1.00 H new ATOM 0 HD3 LYS A 59 14.865 -1.176 -2.965 1.00 1.00 H new ATOM 0 HE2 LYS A 59 16.977 -1.834 -2.407 1.00 1.00 H new ATOM 0 HE3 LYS A 59 17.327 -0.127 -2.221 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 17.945 -1.367 -0.253 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 16.694 -0.280 0.113 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 16.355 -1.934 -0.067 1.00 1.00 H new ATOM 888 N LYS A 60 11.013 2.914 -3.877 1.00 1.00 N ATOM 889 CA LYS A 60 10.418 4.188 -4.245 1.00 1.00 C ATOM 890 C LYS A 60 9.465 4.640 -3.136 1.00 1.00 C ATOM 891 O LYS A 60 9.458 5.811 -2.759 1.00 1.00 O ATOM 892 CB LYS A 60 9.757 4.092 -5.622 1.00 1.00 C ATOM 893 CG LYS A 60 10.145 5.284 -6.500 1.00 1.00 C ATOM 894 CD LYS A 60 11.212 4.887 -7.522 1.00 1.00 C ATOM 895 CE LYS A 60 12.613 5.231 -7.014 1.00 1.00 C ATOM 896 NZ LYS A 60 13.060 6.530 -7.564 1.00 1.00 N ATOM 0 H LYS A 60 10.343 2.179 -3.652 1.00 1.00 H new ATOM 0 HA LYS A 60 11.187 4.955 -4.338 1.00 1.00 H new ATOM 0 HB2 LYS A 60 10.056 3.164 -6.109 1.00 1.00 H new ATOM 0 HB3 LYS A 60 8.674 4.057 -5.508 1.00 1.00 H new ATOM 0 HG2 LYS A 60 9.263 5.661 -7.018 1.00 1.00 H new ATOM 0 HG3 LYS A 60 10.519 6.095 -5.875 1.00 1.00 H new ATOM 0 HD2 LYS A 60 11.147 3.818 -7.724 1.00 1.00 H new ATOM 0 HD3 LYS A 60 11.027 5.402 -8.465 1.00 1.00 H new ATOM 0 HE2 LYS A 60 12.611 5.272 -5.925 1.00 1.00 H new ATOM 0 HE3 LYS A 60 13.313 4.447 -7.302 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 14.013 6.748 -7.209 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 13.081 6.479 -8.603 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 12.401 7.278 -7.268 1.00 1.00 H new ATOM 909 N GLY A 61 8.685 3.688 -2.646 1.00 1.00 N ATOM 910 CA GLY A 61 7.730 3.974 -1.588 1.00 1.00 C ATOM 911 C GLY A 61 8.416 3.989 -0.220 1.00 1.00 C ATOM 912 O GLY A 61 9.632 3.858 -0.098 1.00 1.00 O ATOM 0 H GLY A 61 8.694 2.718 -2.962 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.256 4.938 -1.772 1.00 1.00 H new ATOM 0 HA3 GLY A 61 6.939 3.224 -1.594 1.00 1.00 H new ATOM 916 N PRO A 62 7.596 4.155 0.820 1.00 1.00 N ATOM 917 CA PRO A 62 8.028 4.198 2.201 1.00 1.00 C ATOM 918 C PRO A 62 8.370 2.792 2.672 1.00 1.00 C ATOM 919 O PRO A 62 7.653 1.856 2.322 1.00 1.00 O ATOM 920 CB PRO A 62 6.832 4.757 2.968 1.00 1.00 C ATOM 921 CG PRO A 62 5.636 4.118 2.133 1.00 1.00 C ATOM 922 CD PRO A 62 6.162 4.312 0.713 1.00 1.00 C ATOM 0 HA PRO A 62 8.919 4.809 2.349 1.00 1.00 H new ATOM 0 HB2 PRO A 62 6.824 4.443 4.012 1.00 1.00 H new ATOM 0 HB3 PRO A 62 6.807 5.847 2.962 1.00 1.00 H new ATOM 0 HG2 PRO A 62 5.474 3.068 2.376 1.00 1.00 H new ATOM 0 HG3 PRO A 62 4.690 4.634 2.300 1.00 1.00 H new ATOM 0 HD2 PRO A 62 5.735 3.578 0.030 1.00 1.00 H new ATOM 0 HD3 PRO A 62 5.901 5.297 0.326 1.00 1.00 H new ATOM 930 N THR A 63 9.441 2.668 3.444 1.00 1.00 N ATOM 931 CA THR A 63 9.855 1.370 3.946 1.00 1.00 C ATOM 932 C THR A 63 10.286 1.477 5.410 1.00 1.00 C ATOM 933 O THR A 63 11.121 0.702 5.874 1.00 1.00 O ATOM 934 CB THR A 63 10.956 0.836 3.027 1.00 1.00 C ATOM 935 OG1 THR A 63 11.685 2.000 2.646 1.00 1.00 O ATOM 936 CG2 THR A 63 10.404 0.293 1.707 1.00 1.00 C ATOM 0 H THR A 63 10.034 3.446 3.733 1.00 1.00 H new ATOM 0 HA THR A 63 9.028 0.660 3.934 1.00 1.00 H new ATOM 0 HB THR A 63 11.508 0.049 3.541 1.00 1.00 H new ATOM 0 HG1 THR A 63 12.420 1.745 2.050 1.00 1.00 H new ATOM 0 HG21 THR A 63 11.226 -0.073 1.092 1.00 1.00 H new ATOM 0 HG22 THR A 63 9.711 -0.524 1.911 1.00 1.00 H new ATOM 0 HG23 THR A 63 9.881 1.089 1.177 1.00 1.00 H new ATOM 944 N LYS A 64 9.697 2.445 6.098 1.00 1.00 N ATOM 945 CA LYS A 64 10.009 2.664 7.500 1.00 1.00 C ATOM 946 C LYS A 64 8.710 2.883 8.278 1.00 1.00 C ATOM 947 O LYS A 64 7.711 3.325 7.714 1.00 1.00 O ATOM 948 CB LYS A 64 11.018 3.804 7.652 1.00 1.00 C ATOM 949 CG LYS A 64 12.307 3.311 8.314 1.00 1.00 C ATOM 950 CD LYS A 64 13.260 4.474 8.592 1.00 1.00 C ATOM 951 CE LYS A 64 13.337 4.775 10.090 1.00 1.00 C ATOM 952 NZ LYS A 64 14.260 5.902 10.346 1.00 1.00 N ATOM 0 H LYS A 64 9.005 3.086 5.710 1.00 1.00 H new ATOM 0 HA LYS A 64 10.491 1.784 7.926 1.00 1.00 H new ATOM 0 HB2 LYS A 64 11.246 4.226 6.673 1.00 1.00 H new ATOM 0 HB3 LYS A 64 10.581 4.604 8.250 1.00 1.00 H new ATOM 0 HG2 LYS A 64 12.069 2.801 9.247 1.00 1.00 H new ATOM 0 HG3 LYS A 64 12.796 2.582 7.668 1.00 1.00 H new ATOM 0 HD2 LYS A 64 14.254 4.232 8.215 1.00 1.00 H new ATOM 0 HD3 LYS A 64 12.922 5.361 8.056 1.00 1.00 H new ATOM 0 HE2 LYS A 64 12.344 5.017 10.470 1.00 1.00 H new ATOM 0 HE3 LYS A 64 13.677 3.890 10.628 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 14.300 6.093 11.368 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 15.210 5.657 10.002 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 13.919 6.750 9.849 1.00 1.00 H new ATOM 965 N CYS A 65 8.768 2.565 9.564 1.00 1.00 N ATOM 966 CA CYS A 65 7.609 2.723 10.426 1.00 1.00 C ATOM 967 C CYS A 65 7.188 4.193 10.401 1.00 1.00 C ATOM 968 O CYS A 65 5.997 4.501 10.371 1.00 1.00 O ATOM 969 CB CYS A 65 7.891 2.233 11.848 1.00 1.00 C ATOM 970 SG CYS A 65 8.962 0.753 11.952 1.00 1.00 S ATOM 0 H CYS A 65 9.599 2.199 10.029 1.00 1.00 H new ATOM 0 HA CYS A 65 6.790 2.106 10.056 1.00 1.00 H new ATOM 0 HB2 CYS A 65 8.358 3.042 12.410 1.00 1.00 H new ATOM 0 HB3 CYS A 65 6.942 2.012 12.336 1.00 1.00 H new ATOM 975 N GLY A 66 8.187 5.062 10.414 1.00 1.00 N ATOM 976 CA GLY A 66 7.936 6.493 10.394 1.00 1.00 C ATOM 977 C GLY A 66 7.846 7.014 8.958 1.00 1.00 C ATOM 978 O GLY A 66 7.934 8.218 8.724 1.00 1.00 O ATOM 0 H GLY A 66 9.173 4.803 10.438 1.00 1.00 H new ATOM 0 HA2 GLY A 66 7.008 6.710 10.922 1.00 1.00 H new ATOM 0 HA3 GLY A 66 8.734 7.013 10.924 1.00 1.00 H new ATOM 982 N GLU A 67 7.672 6.080 8.034 1.00 1.00 N ATOM 983 CA GLU A 67 7.570 6.430 6.627 1.00 1.00 C ATOM 984 C GLU A 67 6.197 6.032 6.080 1.00 1.00 C ATOM 985 O GLU A 67 5.913 6.234 4.900 1.00 1.00 O ATOM 986 CB GLU A 67 8.692 5.778 5.817 1.00 1.00 C ATOM 987 CG GLU A 67 9.841 6.761 5.582 1.00 1.00 C ATOM 988 CD GLU A 67 10.859 6.189 4.594 1.00 1.00 C ATOM 989 OE1 GLU A 67 10.539 5.252 3.847 1.00 1.00 O ATOM 990 OE2 GLU A 67 12.019 6.752 4.619 1.00 1.00 O ATOM 0 H GLU A 67 7.599 5.082 8.232 1.00 1.00 H new ATOM 0 HA GLU A 67 7.679 7.510 6.532 1.00 1.00 H new ATOM 0 HB2 GLU A 67 9.063 4.899 6.344 1.00 1.00 H new ATOM 0 HB3 GLU A 67 8.301 5.434 4.859 1.00 1.00 H new ATOM 0 HG2 GLU A 67 9.446 7.702 5.199 1.00 1.00 H new ATOM 0 HG3 GLU A 67 10.333 6.984 6.529 1.00 1.00 H new ATOM 998 N CYS A 68 5.382 5.475 6.964 1.00 1.00 N ATOM 999 CA CYS A 68 4.046 5.048 6.584 1.00 1.00 C ATOM 1000 C CYS A 68 3.063 5.543 7.647 1.00 1.00 C ATOM 1001 O CYS A 68 2.159 6.321 7.347 1.00 1.00 O ATOM 1002 CB CYS A 68 3.969 3.531 6.398 1.00 1.00 C ATOM 1003 SG CYS A 68 3.840 3.125 4.618 1.00 1.00 S ATOM 0 H CYS A 68 5.621 5.310 7.942 1.00 1.00 H new ATOM 0 HA CYS A 68 3.784 5.481 5.618 1.00 1.00 H new ATOM 0 HB2 CYS A 68 4.854 3.059 6.824 1.00 1.00 H new ATOM 0 HB3 CYS A 68 3.107 3.134 6.934 1.00 1.00 H new ATOM 1008 N HIS A 69 3.274 5.070 8.867 1.00 1.00 N ATOM 1009 CA HIS A 69 2.418 5.455 9.976 1.00 1.00 C ATOM 1010 C HIS A 69 2.718 6.900 10.379 1.00 1.00 C ATOM 1011 O HIS A 69 3.730 7.171 11.024 1.00 1.00 O ATOM 1012 CB HIS A 69 2.562 4.473 11.140 1.00 1.00 C ATOM 1013 CG HIS A 69 2.162 3.056 10.801 1.00 1.00 C ATOM 1014 ND1 HIS A 69 0.844 2.668 10.635 1.00 1.00 N ATOM 1015 CD2 HIS A 69 2.921 1.941 10.598 1.00 1.00 C ATOM 1016 CE1 HIS A 69 0.822 1.375 10.347 1.00 1.00 C ATOM 1017 NE2 HIS A 69 2.110 0.926 10.325 1.00 1.00 N ATOM 0 H HIS A 69 4.025 4.424 9.111 1.00 1.00 H new ATOM 0 HA HIS A 69 1.374 5.410 9.666 1.00 1.00 H new ATOM 0 HB2 HIS A 69 3.598 4.476 11.479 1.00 1.00 H new ATOM 0 HB3 HIS A 69 1.953 4.822 11.974 1.00 1.00 H new ATOM 0 HD1 HIS A 69 0.028 3.274 10.720 1.00 1.00 H new ATOM 0 HD2 HIS A 69 3.999 1.892 10.650 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -0.061 0.781 10.162 1.00 1.00 H new ATOM 1025 N LYS A 70 1.821 7.791 9.983 1.00 1.00 N ATOM 1026 CA LYS A 70 1.977 9.201 10.295 1.00 1.00 C ATOM 1027 C LYS A 70 0.614 9.793 10.656 1.00 1.00 C ATOM 1028 O LYS A 70 -0.252 9.939 9.795 1.00 1.00 O ATOM 1029 CB LYS A 70 2.679 9.929 9.146 1.00 1.00 C ATOM 1030 CG LYS A 70 4.065 9.336 8.887 1.00 1.00 C ATOM 1031 CD LYS A 70 5.051 9.746 9.982 1.00 1.00 C ATOM 1032 CE LYS A 70 5.638 11.131 9.702 1.00 1.00 C ATOM 1033 NZ LYS A 70 5.067 12.133 10.630 1.00 1.00 N ATOM 0 H LYS A 70 0.983 7.563 9.448 1.00 1.00 H new ATOM 0 HA LYS A 70 2.621 9.330 11.165 1.00 1.00 H new ATOM 0 HB2 LYS A 70 2.074 9.858 8.242 1.00 1.00 H new ATOM 0 HB3 LYS A 70 2.772 10.989 9.385 1.00 1.00 H new ATOM 0 HG2 LYS A 70 3.997 8.249 8.843 1.00 1.00 H new ATOM 0 HG3 LYS A 70 4.433 9.672 7.917 1.00 1.00 H new ATOM 0 HD2 LYS A 70 4.546 9.750 10.948 1.00 1.00 H new ATOM 0 HD3 LYS A 70 5.855 9.013 10.045 1.00 1.00 H new ATOM 0 HE2 LYS A 70 6.722 11.102 9.811 1.00 1.00 H new ATOM 0 HE3 LYS A 70 5.429 11.420 8.672 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 5.073 13.069 10.177 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 4.089 11.869 10.867 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 5.637 12.166 11.499 1.00 1.00 H new ATOM 1046 N LYS A 71 0.465 10.119 11.932 1.00 1.00 N ATOM 1047 CA LYS A 71 -0.778 10.693 12.418 1.00 1.00 C ATOM 1048 C LYS A 71 -1.115 11.939 11.597 1.00 1.00 C ATOM 1049 O LYS A 71 -0.864 13.061 12.035 1.00 1.00 O ATOM 1050 CB LYS A 71 -0.697 10.951 13.924 1.00 1.00 C ATOM 1051 CG LYS A 71 -2.090 10.951 14.556 1.00 1.00 C ATOM 1052 CD LYS A 71 -2.355 12.263 15.298 1.00 1.00 C ATOM 1053 CE LYS A 71 -2.330 12.051 16.813 1.00 1.00 C ATOM 1054 NZ LYS A 71 -1.367 12.977 17.450 1.00 1.00 N ATOM 0 H LYS A 71 1.185 9.996 12.644 1.00 1.00 H new ATOM 0 HA LYS A 71 -1.600 9.990 12.283 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -0.080 10.186 14.395 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -0.211 11.909 14.107 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -2.844 10.808 13.782 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -2.180 10.113 15.248 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -1.604 13.001 15.018 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -3.323 12.665 14.999 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -3.326 12.213 17.225 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -2.055 11.020 17.037 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -1.362 12.820 18.478 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -0.415 12.804 17.069 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -1.646 13.959 17.251 1.00 1.00 H new TER 1067 LYS A 71 HETATM 1068 CHA HEM A 101 -9.038 -0.788 -3.888 1.00 1.00 C HETATM 1069 CHB HEM A 101 -9.198 -0.201 -8.721 1.00 1.00 C HETATM 1070 CHC HEM A 101 -4.333 -0.014 -8.872 1.00 1.00 C HETATM 1071 CHD HEM A 101 -4.173 -0.978 -4.046 1.00 1.00 C HETATM 1072 C1A HEM A 101 -9.491 -0.676 -5.199 1.00 1.00 C HETATM 1073 C2A HEM A 101 -10.876 -0.788 -5.591 1.00 1.00 C HETATM 1074 C3A HEM A 101 -10.924 -0.625 -6.930 1.00 1.00 C HETATM 1075 C4A HEM A 101 -9.569 -0.412 -7.380 1.00 1.00 C HETATM 1076 CMA HEM A 101 -12.131 -0.654 -7.822 1.00 1.00 C HETATM 1077 CAA HEM A 101 -12.017 -1.038 -4.649 1.00 1.00 C HETATM 1078 CBA HEM A 101 -11.791 -2.207 -3.695 1.00 1.00 C HETATM 1079 CGA HEM A 101 -11.807 -1.744 -2.246 1.00 1.00 C HETATM 1080 O1A HEM A 101 -11.092 -2.377 -1.440 1.00 1.00 O HETATM 1081 O2A HEM A 101 -12.533 -0.764 -1.971 1.00 1.00 O HETATM 1082 C1B HEM A 101 -7.887 -0.051 -9.162 1.00 1.00 C HETATM 1083 C2B HEM A 101 -7.521 0.296 -10.515 1.00 1.00 C HETATM 1084 C3B HEM A 101 -6.173 0.349 -10.561 1.00 1.00 C HETATM 1085 C4B HEM A 101 -5.691 0.035 -9.236 1.00 1.00 C HETATM 1086 CMB HEM A 101 -8.493 0.543 -11.632 1.00 1.00 C HETATM 1087 CAB HEM A 101 -5.300 0.668 -11.739 1.00 1.00 C HETATM 1088 CBB HEM A 101 -5.816 1.816 -12.601 1.00 1.00 C HETATM 1089 C1C HEM A 101 -3.845 -0.292 -7.530 1.00 1.00 C HETATM 1090 C2C HEM A 101 -2.458 -0.465 -7.169 1.00 1.00 C HETATM 1091 C3C HEM A 101 -2.423 -0.736 -5.847 1.00 1.00 C HETATM 1092 C4C HEM A 101 -3.788 -0.735 -5.377 1.00 1.00 C HETATM 1093 CMC HEM A 101 -1.303 -0.353 -8.120 1.00 1.00 C HETATM 1094 CAC HEM A 101 -1.219 -0.997 -4.989 1.00 1.00 C HETATM 1095 CBC HEM A 101 0.057 -0.326 -5.489 1.00 1.00 C HETATM 1096 C1D HEM A 101 -5.489 -0.996 -3.596 1.00 1.00 C HETATM 1097 C2D HEM A 101 -5.875 -1.212 -2.222 1.00 1.00 C HETATM 1098 C3D HEM A 101 -7.223 -1.160 -2.175 1.00 1.00 C HETATM 1099 C4D HEM A 101 -7.685 -0.911 -3.520 1.00 1.00 C HETATM 1100 CMD HEM A 101 -4.919 -1.447 -1.089 1.00 1.00 C HETATM 1101 CAD HEM A 101 -8.113 -1.323 -0.977 1.00 1.00 C HETATM 1102 CBD HEM A 101 -7.847 -2.594 -0.176 1.00 1.00 C HETATM 1103 CGD HEM A 101 -7.243 -2.269 1.183 1.00 1.00 C HETATM 1104 O1D HEM A 101 -6.168 -2.836 1.476 1.00 1.00 O HETATM 1105 O2D HEM A 101 -7.867 -1.460 1.903 1.00 1.00 O HETATM 1106 NA HEM A 101 -8.695 -0.445 -6.307 1.00 1.00 N HETATM 1107 NB HEM A 101 -6.754 -0.209 -8.384 1.00 1.00 N HETATM 1108 NC HEM A 101 -4.655 -0.460 -6.420 1.00 1.00 N HETATM 1109 ND HEM A 101 -6.611 -0.812 -4.386 1.00 1.00 N HETATM 1110 FE HEM A 101 -6.496 -0.543 -6.461 1.00 1.00 FE HETATM 0 HMA1 HEM A 101 -11.963 -0.006 -8.683 1.00 1.00 H new HETATM 0 HMA2 HEM A 101 -13.001 -0.303 -7.268 1.00 1.00 H new HETATM 0 HMA3 HEM A 101 -12.306 -1.674 -8.164 1.00 1.00 H new HETATM 0 HMB1 HEM A 101 -9.391 -0.054 -11.472 1.00 1.00 H new HETATM 0 HMB2 HEM A 101 -8.036 0.263 -12.581 1.00 1.00 H new HETATM 0 HMB3 HEM A 101 -8.759 1.600 -11.656 1.00 1.00 H new HETATM 0 HMC1 HEM A 101 -1.623 -0.651 -9.118 1.00 1.00 H new HETATM 0 HMC2 HEM A 101 -0.494 -1.004 -7.789 1.00 1.00 H new HETATM 0 HMC3 HEM A 101 -0.951 0.678 -8.145 1.00 1.00 H new HETATM 0 HMD1 HEM A 101 -5.350 -1.063 -0.164 1.00 1.00 H new HETATM 0 HMD2 HEM A 101 -3.980 -0.933 -1.293 1.00 1.00 H new HETATM 0 HMD3 HEM A 101 -4.732 -2.516 -0.986 1.00 1.00 H new HETATM 0 HBB1 HEM A 101 -5.257 2.129 -13.483 1.00 1.00 H new HETATM 0 HBB2 HEM A 101 -6.744 2.323 -12.335 1.00 1.00 H new HETATM 0 HBC1 HEM A 101 0.990 -0.451 -4.939 1.00 1.00 H new HETATM 0 HBC2 HEM A 101 0.036 0.278 -6.396 1.00 1.00 H new HETATM 0 HBA1 HEM A 101 -10.836 -2.682 -3.917 1.00 1.00 H new HETATM 0 HBA2 HEM A 101 -12.565 -2.960 -3.848 1.00 1.00 H new HETATM 0 HAA1 HEM A 101 -12.920 -1.226 -5.230 1.00 1.00 H new HETATM 0 HAA2 HEM A 101 -12.197 -0.135 -4.065 1.00 1.00 H new HETATM 0 HBD1 HEM A 101 -7.171 -3.243 -0.732 1.00 1.00 H new HETATM 0 HBD2 HEM A 101 -8.778 -3.144 -0.041 1.00 1.00 H new HETATM 0 HAD1 HEM A 101 -9.152 -1.324 -1.306 1.00 1.00 H new HETATM 0 HAD2 HEM A 101 -7.987 -0.460 -0.323 1.00 1.00 H new HETATM 0 HHA HEM A 101 -9.775 -0.780 -3.099 1.00 1.00 H new HETATM 0 HHB HEM A 101 -9.985 -0.152 -9.459 1.00 1.00 H new HETATM 0 HHC HEM A 101 -3.600 0.168 -9.644 1.00 1.00 H new HETATM 0 HHD HEM A 101 -3.392 -1.164 -3.323 1.00 1.00 H new HETATM 0 HAB HEM A 101 -4.379 0.128 -11.959 1.00 1.00 H new HETATM 0 HAC HEM A 101 -1.253 -1.611 -4.089 1.00 1.00 H new HETATM 1111 CHA HEM A 102 5.135 5.405 -2.645 1.00 1.00 C HETATM 1112 CHB HEM A 102 1.957 3.570 0.557 1.00 1.00 C HETATM 1113 CHC HEM A 102 1.651 -0.514 -2.079 1.00 1.00 C HETATM 1114 CHD HEM A 102 4.960 1.274 -5.220 1.00 1.00 C HETATM 1115 C1A HEM A 102 4.272 5.260 -1.563 1.00 1.00 C HETATM 1116 C2A HEM A 102 4.012 6.294 -0.589 1.00 1.00 C HETATM 1117 C3A HEM A 102 3.131 5.788 0.300 1.00 1.00 C HETATM 1118 C4A HEM A 102 2.837 4.437 -0.115 1.00 1.00 C HETATM 1119 CMA HEM A 102 2.542 6.465 1.504 1.00 1.00 C HETATM 1120 CAA HEM A 102 4.628 7.662 -0.603 1.00 1.00 C HETATM 1121 CBA HEM A 102 4.630 8.329 -1.976 1.00 1.00 C HETATM 1122 CGA HEM A 102 3.976 9.702 -1.919 1.00 1.00 C HETATM 1123 O1A HEM A 102 4.203 10.397 -0.904 1.00 1.00 O HETATM 1124 O2A HEM A 102 3.262 10.032 -2.890 1.00 1.00 O HETATM 1125 C1B HEM A 102 1.598 2.304 0.105 1.00 1.00 C HETATM 1126 C2B HEM A 102 0.651 1.442 0.772 1.00 1.00 C HETATM 1127 C3B HEM A 102 0.564 0.309 0.044 1.00 1.00 C HETATM 1128 C4B HEM A 102 1.457 0.458 -1.081 1.00 1.00 C HETATM 1129 CMB HEM A 102 -0.077 1.784 2.039 1.00 1.00 C HETATM 1130 CAB HEM A 102 -0.283 -0.900 0.314 1.00 1.00 C HETATM 1131 CBB HEM A 102 -1.708 -0.574 0.752 1.00 1.00 C HETATM 1132 C1C HEM A 102 2.579 -0.410 -3.168 1.00 1.00 C HETATM 1133 C2C HEM A 102 2.887 -1.454 -4.116 1.00 1.00 C HETATM 1134 C3C HEM A 102 3.797 -0.952 -4.977 1.00 1.00 C HETATM 1135 C4C HEM A 102 4.062 0.408 -4.570 1.00 1.00 C HETATM 1136 CMC HEM A 102 2.282 -2.828 -4.107 1.00 1.00 C HETATM 1137 CAC HEM A 102 4.439 -1.639 -6.148 1.00 1.00 C HETATM 1138 CBC HEM A 102 3.667 -2.854 -6.654 1.00 1.00 C HETATM 1139 C1D HEM A 102 5.229 2.579 -4.817 1.00 1.00 C HETATM 1140 C2D HEM A 102 5.982 3.530 -5.599 1.00 1.00 C HETATM 1141 C3D HEM A 102 6.033 4.676 -4.888 1.00 1.00 C HETATM 1142 C4D HEM A 102 5.311 4.446 -3.659 1.00 1.00 C HETATM 1143 CMD HEM A 102 6.581 3.252 -6.947 1.00 1.00 C HETATM 1144 CAD HEM A 102 6.700 5.968 -5.263 1.00 1.00 C HETATM 1145 CBD HEM A 102 6.144 6.608 -6.532 1.00 1.00 C HETATM 1146 CGD HEM A 102 7.232 6.774 -7.583 1.00 1.00 C HETATM 1147 O1D HEM A 102 8.146 7.588 -7.330 1.00 1.00 O HETATM 1148 O2D HEM A 102 7.128 6.085 -8.621 1.00 1.00 O HETATM 1149 NA HEM A 102 3.545 4.122 -1.262 1.00 1.00 N HETATM 1150 NB HEM A 102 2.088 1.689 -1.034 1.00 1.00 N HETATM 1151 NC HEM A 102 3.307 0.732 -3.456 1.00 1.00 N HETATM 1152 ND HEM A 102 4.820 3.152 -3.626 1.00 1.00 N HETATM 1153 FE HEM A 102 3.544 2.400 -2.384 1.00 1.00 FE HETATM 0 HMA1 HEM A 102 3.253 7.192 1.897 1.00 1.00 H new HETATM 0 HMA2 HEM A 102 2.324 5.720 2.270 1.00 1.00 H new HETATM 0 HMA3 HEM A 102 1.621 6.975 1.221 1.00 1.00 H new HETATM 0 HMB1 HEM A 102 -1.046 1.284 2.048 1.00 1.00 H new HETATM 0 HMB2 HEM A 102 -0.225 2.863 2.094 1.00 1.00 H new HETATM 0 HMB3 HEM A 102 0.510 1.454 2.896 1.00 1.00 H new HETATM 0 HMC1 HEM A 102 2.238 -3.213 -5.126 1.00 1.00 H new HETATM 0 HMC2 HEM A 102 1.275 -2.779 -3.694 1.00 1.00 H new HETATM 0 HMC3 HEM A 102 2.894 -3.491 -3.495 1.00 1.00 H new HETATM 0 HMD1 HEM A 102 6.842 2.196 -7.019 1.00 1.00 H new HETATM 0 HMD2 HEM A 102 7.478 3.857 -7.078 1.00 1.00 H new HETATM 0 HMD3 HEM A 102 5.859 3.501 -7.724 1.00 1.00 H new HETATM 0 HBB1 HEM A 102 -2.408 -1.380 0.974 1.00 1.00 H new HETATM 0 HBB2 HEM A 102 -2.026 0.465 0.843 1.00 1.00 H new HETATM 0 HBC1 HEM A 102 4.045 -3.426 -7.501 1.00 1.00 H new HETATM 0 HBC2 HEM A 102 2.737 -3.150 -6.168 1.00 1.00 H new HETATM 0 HBA1 HEM A 102 4.100 7.699 -2.690 1.00 1.00 H new HETATM 0 HBA2 HEM A 102 5.655 8.425 -2.335 1.00 1.00 H new HETATM 0 HAA1 HEM A 102 5.655 7.590 -0.244 1.00 1.00 H new HETATM 0 HAA2 HEM A 102 4.089 8.299 0.098 1.00 1.00 H new HETATM 0 HBD1 HEM A 102 5.713 7.580 -6.294 1.00 1.00 H new HETATM 0 HBD2 HEM A 102 5.339 5.991 -6.932 1.00 1.00 H new HETATM 0 HAD1 HEM A 102 7.767 5.789 -5.396 1.00 1.00 H new HETATM 0 HAD2 HEM A 102 6.595 6.672 -4.437 1.00 1.00 H new HETATM 0 HHA HEM A 102 5.710 6.317 -2.711 1.00 1.00 H new HETATM 0 HHB HEM A 102 1.530 3.911 1.489 1.00 1.00 H new HETATM 0 HHC HEM A 102 1.053 -1.411 -2.021 1.00 1.00 H new HETATM 0 HHD HEM A 102 5.476 0.901 -6.092 1.00 1.00 H new HETATM 0 HAB HEM A 102 0.087 -1.920 0.207 1.00 1.00 H new HETATM 0 HAC HEM A 102 5.373 -1.300 -6.596 1.00 1.00 H new HETATM 1154 CHA HEM A 103 -0.637 -1.912 10.557 1.00 1.00 C HETATM 1155 CHB HEM A 103 3.490 -1.533 13.115 1.00 1.00 C HETATM 1156 CHC HEM A 103 5.870 -0.068 9.126 1.00 1.00 C HETATM 1157 CHD HEM A 103 1.571 0.041 6.680 1.00 1.00 C HETATM 1158 C1A HEM A 103 0.288 -1.927 11.595 1.00 1.00 C HETATM 1159 C2A HEM A 103 -0.026 -2.290 12.957 1.00 1.00 C HETATM 1160 C3A HEM A 103 1.117 -2.186 13.669 1.00 1.00 C HETATM 1161 C4A HEM A 103 2.149 -1.757 12.755 1.00 1.00 C HETATM 1162 CMA HEM A 103 1.322 -2.454 15.131 1.00 1.00 C HETATM 1163 CAA HEM A 103 -1.384 -2.701 13.445 1.00 1.00 C HETATM 1164 CBA HEM A 103 -2.310 -1.530 13.761 1.00 1.00 C HETATM 1165 CGA HEM A 103 -2.591 -1.440 15.254 1.00 1.00 C HETATM 1166 O1A HEM A 103 -1.731 -0.869 15.960 1.00 1.00 O HETATM 1167 O2A HEM A 103 -3.659 -1.944 15.663 1.00 1.00 O HETATM 1168 C1B HEM A 103 4.499 -1.186 12.222 1.00 1.00 C HETATM 1169 C2B HEM A 103 5.909 -1.233 12.531 1.00 1.00 C HETATM 1170 C3B HEM A 103 6.571 -0.828 11.428 1.00 1.00 C HETATM 1171 C4B HEM A 103 5.578 -0.525 10.424 1.00 1.00 C HETATM 1172 CMB HEM A 103 6.484 -1.661 13.850 1.00 1.00 C HETATM 1173 CAB HEM A 103 8.054 -0.700 11.235 1.00 1.00 C HETATM 1174 CBB HEM A 103 8.839 -1.953 11.613 1.00 1.00 C HETATM 1175 C1C HEM A 103 4.871 0.081 8.032 1.00 1.00 C HETATM 1176 C2C HEM A 103 5.107 0.712 6.754 1.00 1.00 C HETATM 1177 C3C HEM A 103 3.920 0.768 6.114 1.00 1.00 C HETATM 1178 C4C HEM A 103 2.937 0.173 6.988 1.00 1.00 C HETATM 1179 CMC HEM A 103 6.442 1.200 6.271 1.00 1.00 C HETATM 1180 CAC HEM A 103 3.630 1.333 4.754 1.00 1.00 C HETATM 1181 CBC HEM A 103 4.514 0.767 3.646 1.00 1.00 C HETATM 1182 C1D HEM A 103 0.628 -0.553 7.513 1.00 1.00 C HETATM 1183 C2D HEM A 103 -0.703 -0.926 7.095 1.00 1.00 C HETATM 1184 C3D HEM A 103 -1.318 -1.468 8.168 1.00 1.00 C HETATM 1185 C4D HEM A 103 -0.373 -1.435 9.260 1.00 1.00 C HETATM 1186 CMD HEM A 103 -1.257 -0.729 5.714 1.00 1.00 C HETATM 1187 CAD HEM A 103 -2.714 -2.012 8.255 1.00 1.00 C HETATM 1188 CBD HEM A 103 -3.773 -1.106 7.636 1.00 1.00 C HETATM 1189 CGD HEM A 103 -4.287 -1.681 6.324 1.00 1.00 C HETATM 1190 O1D HEM A 103 -3.434 -2.132 5.530 1.00 1.00 O HETATM 1191 O2D HEM A 103 -5.523 -1.658 6.139 1.00 1.00 O HETATM 1192 NA HEM A 103 1.629 -1.601 11.482 1.00 1.00 N HETATM 1193 NB HEM A 103 4.307 -0.748 10.923 1.00 1.00 N HETATM 1194 NC HEM A 103 3.533 -0.247 8.165 1.00 1.00 N HETATM 1195 ND HEM A 103 0.820 -0.870 8.846 1.00 1.00 N HETATM 1196 FE HEM A 103 2.631 -0.776 9.869 1.00 1.00 FE HETATM 0 HMA1 HEM A 103 0.401 -2.240 15.673 1.00 1.00 H new HETATM 0 HMA2 HEM A 103 2.122 -1.817 15.509 1.00 1.00 H new HETATM 0 HMA3 HEM A 103 1.593 -3.500 15.275 1.00 1.00 H new HETATM 0 HMB1 HEM A 103 5.782 -1.420 14.648 1.00 1.00 H new HETATM 0 HMB2 HEM A 103 7.424 -1.138 14.024 1.00 1.00 H new HETATM 0 HMB3 HEM A 103 6.664 -2.736 13.837 1.00 1.00 H new HETATM 0 HMC1 HEM A 103 7.048 1.506 7.124 1.00 1.00 H new HETATM 0 HMC2 HEM A 103 6.299 2.050 5.604 1.00 1.00 H new HETATM 0 HMC3 HEM A 103 6.950 0.399 5.734 1.00 1.00 H new HETATM 0 HMD1 HEM A 103 -1.990 -1.508 5.501 1.00 1.00 H new HETATM 0 HMD2 HEM A 103 -0.448 -0.784 4.986 1.00 1.00 H new HETATM 0 HMD3 HEM A 103 -1.737 0.248 5.650 1.00 1.00 H new HETATM 0 HBB1 HEM A 103 9.924 -1.968 11.511 1.00 1.00 H new HETATM 0 HBB2 HEM A 103 8.315 -2.833 11.985 1.00 1.00 H new HETATM 0 HBC1 HEM A 103 4.387 1.109 2.619 1.00 1.00 H new HETATM 0 HBC2 HEM A 103 5.272 0.020 3.882 1.00 1.00 H new HETATM 0 HBA1 HEM A 103 -3.248 -1.647 13.218 1.00 1.00 H new HETATM 0 HBA2 HEM A 103 -1.856 -0.601 13.417 1.00 1.00 H new HETATM 0 HAA1 HEM A 103 -1.268 -3.311 14.341 1.00 1.00 H new HETATM 0 HAA2 HEM A 103 -1.855 -3.330 12.690 1.00 1.00 H new HETATM 0 HBD1 HEM A 103 -3.352 -0.116 7.463 1.00 1.00 H new HETATM 0 HBD2 HEM A 103 -4.602 -0.983 8.332 1.00 1.00 H new HETATM 0 HAD1 HEM A 103 -2.962 -2.181 9.303 1.00 1.00 H new HETATM 0 HAD2 HEM A 103 -2.746 -2.982 7.760 1.00 1.00 H new HETATM 0 HHA HEM A 103 -1.627 -2.293 10.760 1.00 1.00 H new HETATM 0 HHB HEM A 103 3.755 -1.638 14.157 1.00 1.00 H new HETATM 0 HHC HEM A 103 6.895 0.194 8.907 1.00 1.00 H new HETATM 0 HHD HEM A 103 1.230 0.428 5.731 1.00 1.00 H new HETATM 0 HAB HEM A 103 8.528 0.207 10.859 1.00 1.00 H new HETATM 0 HAC HEM A 103 2.857 2.080 4.574 1.00 1.00 H new