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= -3.47 K(o=-4,f=-6.4!) USER MOD Set 1.2: A 103 HEM CMA :methyl 150:sc= -0.495 (180deg=-0.0582) USER MOD Single : A 1 ALA N :NH3+ 130:sc= 0.126 (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= -7.31! C(o=-7.3!,f=-15!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -128:sc= -0.41 (180deg=-2.24!) 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+ 165:sc= -1.45 (180deg=-1.87) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HEM CMA :methyl -30:sc= -0.191 (180deg=-0.304) USER MOD Single : A 101 HEM CMB :methyl -30:sc= -1.79 (180deg=-4.9!) USER MOD Single : A 101 HEM CMC :methyl -30:sc= -1.62 (180deg=-4.68!) USER MOD Single : A 101 HEM CMD :methyl 150:sc= -2.07 (180deg=-2.07) USER MOD Single : A 102 HEM CMA :methyl 150:sc= -0.152 (180deg=-0.152) USER MOD Single : A 102 HEM CMB :methyl 150:sc= -6.94! (180deg=-6.94!) USER MOD Single : A 102 HEM CMC :methyl 150:sc= -12.1! (180deg=-12.1!) USER MOD Single : A 102 HEM CMD :methyl -30:sc= -6.25! (180deg=-11.4!) USER MOD Single : A 103 HEM CMB :methyl -30:sc= -0.239 (180deg=-1.51) USER MOD Single : A 103 HEM CMC :methyl -30:sc= -4.03! (180deg=-5.98!) USER MOD Single : A 103 HEM CMD :methyl 150:sc= -3.07 (180deg=-3.07) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.911 10.547 -3.033 1.00 1.00 N ATOM 2 CA ALA A 1 -11.506 10.686 -3.378 1.00 1.00 C ATOM 3 C ALA A 1 -10.872 9.297 -3.483 1.00 1.00 C ATOM 4 O ALA A 1 -11.397 8.328 -2.936 1.00 1.00 O ATOM 5 CB ALA A 1 -10.810 11.568 -2.341 1.00 1.00 C ATOM 0 H1 ALA A 1 -13.134 11.166 -2.228 1.00 1.00 H new ATOM 0 H2 ALA A 1 -13.497 10.816 -3.849 1.00 1.00 H new ATOM 0 H3 ALA A 1 -13.109 9.559 -2.775 1.00 1.00 H new ATOM 0 HA ALA A 1 -11.395 11.174 -4.347 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -9.756 11.672 -2.600 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -11.279 12.552 -2.327 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -10.898 11.110 -1.356 1.00 1.00 H new ATOM 11 N ASP A 2 -9.752 9.245 -4.188 1.00 1.00 N ATOM 12 CA ASP A 2 -9.040 7.992 -4.371 1.00 1.00 C ATOM 13 C ASP A 2 -8.337 7.614 -3.066 1.00 1.00 C ATOM 14 O ASP A 2 -8.325 6.446 -2.678 1.00 1.00 O ATOM 15 CB ASP A 2 -7.975 8.117 -5.462 1.00 1.00 C ATOM 16 CG ASP A 2 -8.200 7.233 -6.690 1.00 1.00 C ATOM 17 OD1 ASP A 2 -7.953 6.019 -6.657 1.00 1.00 O ATOM 18 OD2 ASP A 2 -8.656 7.849 -7.729 1.00 1.00 O ATOM 0 H ASP A 2 -9.320 10.051 -4.640 1.00 1.00 H new ATOM 0 HA ASP A 2 -9.766 7.232 -4.661 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -7.928 9.157 -5.785 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -7.004 7.873 -5.031 1.00 1.00 H new ATOM 24 N ASP A 3 -7.769 8.624 -2.423 1.00 1.00 N ATOM 25 CA ASP A 3 -7.066 8.412 -1.169 1.00 1.00 C ATOM 26 C ASP A 3 -7.811 7.362 -0.343 1.00 1.00 C ATOM 27 O ASP A 3 -8.943 7.589 0.081 1.00 1.00 O ATOM 28 CB ASP A 3 -7.003 9.702 -0.349 1.00 1.00 C ATOM 29 CG ASP A 3 -6.067 9.654 0.861 1.00 1.00 C ATOM 30 OD1 ASP A 3 -5.554 10.688 1.313 1.00 1.00 O ATOM 31 OD2 ASP A 3 -5.867 8.476 1.349 1.00 1.00 O ATOM 0 H ASP A 3 -7.781 9.591 -2.747 1.00 1.00 H new ATOM 0 HA ASP A 3 -6.053 8.082 -1.401 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -6.686 10.515 -1.002 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -8.008 9.944 -0.003 1.00 1.00 H new ATOM 37 N ILE A 4 -7.145 6.235 -0.138 1.00 1.00 N ATOM 38 CA ILE A 4 -7.730 5.149 0.631 1.00 1.00 C ATOM 39 C ILE A 4 -7.015 5.042 1.979 1.00 1.00 C ATOM 40 O ILE A 4 -5.907 4.514 2.058 1.00 1.00 O ATOM 41 CB ILE A 4 -7.715 3.851 -0.179 1.00 1.00 C ATOM 42 CG1 ILE A 4 -8.962 3.740 -1.059 1.00 1.00 C ATOM 43 CG2 ILE A 4 -7.549 2.636 0.736 1.00 1.00 C ATOM 44 CD1 ILE A 4 -9.011 2.386 -1.770 1.00 1.00 C ATOM 0 H ILE A 4 -6.206 6.050 -0.491 1.00 1.00 H new ATOM 0 HA ILE A 4 -8.780 5.353 0.842 1.00 1.00 H new ATOM 0 HB ILE A 4 -6.852 3.873 -0.845 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -9.856 3.867 -0.448 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -8.964 4.543 -1.797 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -7.542 1.726 0.135 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -6.609 2.718 1.282 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -8.378 2.597 1.443 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -9.907 2.332 -2.389 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -8.128 2.273 -2.399 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -9.033 1.587 -1.029 1.00 1.00 H new ATOM 56 N VAL A 5 -7.678 5.551 3.007 1.00 1.00 N ATOM 57 CA VAL A 5 -7.120 5.518 4.348 1.00 1.00 C ATOM 58 C VAL A 5 -7.372 4.142 4.968 1.00 1.00 C ATOM 59 O VAL A 5 -8.508 3.672 5.003 1.00 1.00 O ATOM 60 CB VAL A 5 -7.695 6.664 5.183 1.00 1.00 C ATOM 61 CG1 VAL A 5 -6.855 6.903 6.439 1.00 1.00 C ATOM 62 CG2 VAL A 5 -7.814 7.942 4.351 1.00 1.00 C ATOM 0 H VAL A 5 -8.597 5.989 2.938 1.00 1.00 H new ATOM 0 HA VAL A 5 -6.041 5.667 4.315 1.00 1.00 H new ATOM 0 HB VAL A 5 -8.697 6.377 5.501 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -7.286 7.723 7.014 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -6.845 5.999 7.047 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -5.835 7.158 6.151 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -8.225 8.741 4.968 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -6.828 8.234 3.989 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -8.474 7.763 3.502 1.00 1.00 H new ATOM 72 N LEU A 6 -6.293 3.535 5.441 1.00 1.00 N ATOM 73 CA LEU A 6 -6.384 2.223 6.058 1.00 1.00 C ATOM 74 C LEU A 6 -6.498 2.383 7.575 1.00 1.00 C ATOM 75 O LEU A 6 -6.027 3.372 8.135 1.00 1.00 O ATOM 76 CB LEU A 6 -5.211 1.343 5.619 1.00 1.00 C ATOM 77 CG LEU A 6 -5.155 0.993 4.131 1.00 1.00 C ATOM 78 CD1 LEU A 6 -3.748 0.553 3.723 1.00 1.00 C ATOM 79 CD2 LEU A 6 -6.209 -0.057 3.774 1.00 1.00 C ATOM 0 H LEU A 6 -5.352 3.928 5.409 1.00 1.00 H new ATOM 0 HA LEU A 6 -7.284 1.707 5.724 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -4.283 1.848 5.888 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -5.246 0.415 6.189 1.00 1.00 H new ATOM 0 HG LEU A 6 -5.389 1.892 3.561 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -3.737 0.310 2.660 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -3.043 1.361 3.918 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -3.460 -0.326 4.299 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.147 -0.288 2.710 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -6.030 -0.963 4.353 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.201 0.331 4.004 1.00 1.00 H new ATOM 91 N LYS A 7 -7.126 1.396 8.197 1.00 1.00 N ATOM 92 CA LYS A 7 -7.308 1.416 9.638 1.00 1.00 C ATOM 93 C LYS A 7 -6.006 0.988 10.318 1.00 1.00 C ATOM 94 O LYS A 7 -5.508 -0.110 10.078 1.00 1.00 O ATOM 95 CB LYS A 7 -8.518 0.567 10.037 1.00 1.00 C ATOM 96 CG LYS A 7 -9.743 0.930 9.196 1.00 1.00 C ATOM 97 CD LYS A 7 -10.989 1.070 10.075 1.00 1.00 C ATOM 98 CE LYS A 7 -11.934 2.137 9.519 1.00 1.00 C ATOM 99 NZ LYS A 7 -12.101 3.239 10.493 1.00 1.00 N ATOM 0 H LYS A 7 -7.515 0.577 7.729 1.00 1.00 H new ATOM 0 HA LYS A 7 -7.530 2.427 9.980 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -8.284 -0.490 9.908 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -8.740 0.718 11.093 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -9.561 1.865 8.666 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -9.911 0.162 8.441 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -11.508 0.113 10.132 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -10.694 1.334 11.091 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -11.539 2.529 8.582 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -12.903 1.692 9.295 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -12.745 3.955 10.100 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -12.499 2.863 11.377 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -11.177 3.674 10.687 1.00 1.00 H new ATOM 112 N ALA A 8 -5.493 1.879 11.154 1.00 1.00 N ATOM 113 CA ALA A 8 -4.258 1.608 11.870 1.00 1.00 C ATOM 114 C ALA A 8 -4.113 2.603 13.024 1.00 1.00 C ATOM 115 O ALA A 8 -3.792 3.770 12.804 1.00 1.00 O ATOM 116 CB ALA A 8 -3.079 1.668 10.897 1.00 1.00 C ATOM 0 H ALA A 8 -5.910 2.789 11.351 1.00 1.00 H new ATOM 0 HA ALA A 8 -4.276 0.606 12.299 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -2.153 1.465 11.435 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -3.215 0.922 10.114 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -3.028 2.660 10.448 1.00 1.00 H new ATOM 122 N LYS A 9 -4.358 2.106 14.227 1.00 1.00 N ATOM 123 CA LYS A 9 -4.259 2.937 15.415 1.00 1.00 C ATOM 124 C LYS A 9 -2.800 3.343 15.628 1.00 1.00 C ATOM 125 O LYS A 9 -2.506 4.205 16.454 1.00 1.00 O ATOM 126 CB LYS A 9 -4.882 2.227 16.618 1.00 1.00 C ATOM 127 CG LYS A 9 -3.997 1.073 17.093 1.00 1.00 C ATOM 128 CD LYS A 9 -4.213 0.794 18.582 1.00 1.00 C ATOM 129 CE LYS A 9 -3.541 1.864 19.444 1.00 1.00 C ATOM 130 NZ LYS A 9 -4.262 2.025 20.726 1.00 1.00 N ATOM 0 H LYS A 9 -4.625 1.138 14.405 1.00 1.00 H new ATOM 0 HA LYS A 9 -4.830 3.856 15.286 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -5.025 2.939 17.431 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -5.868 1.847 16.350 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -4.221 0.176 16.515 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -2.950 1.315 16.913 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -5.281 0.765 18.799 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -3.810 -0.187 18.834 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -2.504 1.587 19.635 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -3.524 2.813 18.908 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -3.793 2.755 21.299 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -5.244 2.311 20.538 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -4.257 1.123 21.243 1.00 1.00 H new ATOM 143 N ASN A 10 -1.924 2.702 14.868 1.00 1.00 N ATOM 144 CA ASN A 10 -0.502 2.985 14.963 1.00 1.00 C ATOM 145 C ASN A 10 -0.150 4.131 14.012 1.00 1.00 C ATOM 146 O ASN A 10 1.013 4.517 13.903 1.00 1.00 O ATOM 147 CB ASN A 10 0.331 1.766 14.562 1.00 1.00 C ATOM 148 CG ASN A 10 0.068 0.589 15.504 1.00 1.00 C ATOM 149 OD1 ASN A 10 -0.979 -0.037 15.479 1.00 1.00 O ATOM 150 ND2 ASN A 10 1.073 0.324 16.333 1.00 1.00 N ATOM 0 H ASN A 10 -2.172 1.987 14.184 1.00 1.00 H new ATOM 0 HA ASN A 10 -0.280 3.249 15.997 1.00 1.00 H new ATOM 0 HB2 ASN A 10 0.091 1.478 13.538 1.00 1.00 H new ATOM 0 HB3 ASN A 10 1.390 2.022 14.581 1.00 1.00 H new ATOM 0 HD21 ASN A 10 0.995 -0.443 17.001 1.00 1.00 H new ATOM 0 HD22 ASN A 10 1.922 0.888 16.301 1.00 1.00 H new ATOM 157 N GLY A 11 -1.176 4.644 13.349 1.00 1.00 N ATOM 158 CA GLY A 11 -0.989 5.738 12.411 1.00 1.00 C ATOM 159 C GLY A 11 -1.498 5.359 11.018 1.00 1.00 C ATOM 160 O GLY A 11 -0.914 4.508 10.350 1.00 1.00 O ATOM 0 H GLY A 11 -2.139 4.322 13.443 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -1.518 6.622 12.767 1.00 1.00 H new ATOM 0 HA3 GLY A 11 0.068 5.999 12.357 1.00 1.00 H new ATOM 164 N ASP A 12 -2.582 6.010 10.622 1.00 1.00 N ATOM 165 CA ASP A 12 -3.177 5.752 9.322 1.00 1.00 C ATOM 166 C ASP A 12 -2.072 5.682 8.266 1.00 1.00 C ATOM 167 O ASP A 12 -0.995 6.249 8.450 1.00 1.00 O ATOM 168 CB ASP A 12 -4.140 6.872 8.925 1.00 1.00 C ATOM 169 CG ASP A 12 -5.622 6.551 9.124 1.00 1.00 C ATOM 170 OD1 ASP A 12 -5.997 5.398 9.384 1.00 1.00 O ATOM 171 OD2 ASP A 12 -6.420 7.558 9.002 1.00 1.00 O ATOM 0 H ASP A 12 -3.064 6.716 11.179 1.00 1.00 H new ATOM 0 HA ASP A 12 -3.724 4.811 9.382 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -3.896 7.763 9.504 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -3.975 7.118 7.876 1.00 1.00 H new ATOM 177 N VAL A 13 -2.376 4.983 7.182 1.00 1.00 N ATOM 178 CA VAL A 13 -1.422 4.832 6.097 1.00 1.00 C ATOM 179 C VAL A 13 -2.055 5.325 4.794 1.00 1.00 C ATOM 180 O VAL A 13 -2.583 4.531 4.017 1.00 1.00 O ATOM 181 CB VAL A 13 -0.945 3.380 6.017 1.00 1.00 C ATOM 182 CG1 VAL A 13 0.160 3.222 4.971 1.00 1.00 C ATOM 183 CG2 VAL A 13 -0.479 2.880 7.386 1.00 1.00 C ATOM 0 H VAL A 13 -3.270 4.515 7.032 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.537 5.442 6.280 1.00 1.00 H new ATOM 0 HB VAL A 13 -1.791 2.767 5.706 1.00 1.00 H new ATOM 0 HG11 VAL A 13 0.481 2.181 4.935 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.219 3.519 3.993 1.00 1.00 H new ATOM 0 HG13 VAL A 13 1.007 3.853 5.239 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -0.145 1.846 7.301 1.00 1.00 H new ATOM 0 HG22 VAL A 13 0.346 3.500 7.738 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -1.305 2.938 8.095 1.00 1.00 H new ATOM 193 N LYS A 14 -1.982 6.633 4.596 1.00 1.00 N ATOM 194 CA LYS A 14 -2.542 7.241 3.402 1.00 1.00 C ATOM 195 C LYS A 14 -1.882 6.628 2.165 1.00 1.00 C ATOM 196 O LYS A 14 -0.691 6.825 1.930 1.00 1.00 O ATOM 197 CB LYS A 14 -2.422 8.765 3.470 1.00 1.00 C ATOM 198 CG LYS A 14 -2.696 9.398 2.104 1.00 1.00 C ATOM 199 CD LYS A 14 -1.623 10.431 1.754 1.00 1.00 C ATOM 200 CE LYS A 14 -2.096 11.848 2.088 1.00 1.00 C ATOM 201 NZ LYS A 14 -1.156 12.851 1.539 1.00 1.00 N ATOM 0 H LYS A 14 -1.543 7.288 5.243 1.00 1.00 H new ATOM 0 HA LYS A 14 -3.609 7.030 3.333 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -3.126 9.156 4.204 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -1.423 9.040 3.808 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -2.723 8.622 1.339 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -3.676 9.874 2.110 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -0.708 10.210 2.303 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -1.382 10.365 0.693 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -3.092 12.011 1.677 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -2.173 11.967 3.169 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -1.492 13.807 1.775 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -0.212 12.704 1.951 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -1.103 12.748 0.506 1.00 1.00 H new ATOM 214 N LEU A 15 -2.685 5.895 1.407 1.00 1.00 N ATOM 215 CA LEU A 15 -2.194 5.251 0.201 1.00 1.00 C ATOM 216 C LEU A 15 -2.764 5.970 -1.024 1.00 1.00 C ATOM 217 O LEU A 15 -3.926 5.813 -1.390 1.00 1.00 O ATOM 218 CB LEU A 15 -2.500 3.752 0.231 1.00 1.00 C ATOM 219 CG LEU A 15 -2.490 3.038 -1.122 1.00 1.00 C ATOM 220 CD1 LEU A 15 -1.102 2.477 -1.436 1.00 1.00 C ATOM 221 CD2 LEU A 15 -3.572 1.957 -1.180 1.00 1.00 C ATOM 0 H LEU A 15 -3.672 5.733 1.605 1.00 1.00 H new ATOM 0 HA LEU A 15 -1.108 5.330 0.142 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -1.773 3.266 0.881 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -3.480 3.610 0.687 1.00 1.00 H new ATOM 0 HG LEU A 15 -2.724 3.769 -1.896 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -1.123 1.975 -2.403 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -0.378 3.292 -1.466 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -0.814 1.764 -0.663 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -3.543 1.465 -2.152 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -3.394 1.221 -0.396 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -4.551 2.414 -1.033 1.00 1.00 H new ATOM 233 N PRO A 16 -1.906 6.774 -1.656 1.00 1.00 N ATOM 234 CA PRO A 16 -2.230 7.548 -2.835 1.00 1.00 C ATOM 235 C PRO A 16 -2.671 6.615 -3.953 1.00 1.00 C ATOM 236 O PRO A 16 -1.987 6.546 -4.973 1.00 1.00 O ATOM 237 CB PRO A 16 -0.933 8.266 -3.200 1.00 1.00 C ATOM 238 CG PRO A 16 -0.092 8.245 -1.987 1.00 1.00 C ATOM 239 CD PRO A 16 -0.532 6.982 -1.252 1.00 1.00 C ATOM 0 HA PRO A 16 -3.045 8.253 -2.670 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -0.432 7.766 -4.029 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -1.131 9.290 -3.518 1.00 1.00 H new ATOM 0 HG2 PRO A 16 0.968 8.212 -2.237 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -0.248 9.136 -1.378 1.00 1.00 H new ATOM 0 HD2 PRO A 16 0.092 6.130 -1.522 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -0.452 7.106 -0.172 1.00 1.00 H new ATOM 247 N HIS A 17 -3.782 5.924 -3.747 1.00 1.00 N ATOM 248 CA HIS A 17 -4.289 5.004 -4.750 1.00 1.00 C ATOM 249 C HIS A 17 -4.102 5.609 -6.143 1.00 1.00 C ATOM 250 O HIS A 17 -3.488 4.994 -7.014 1.00 1.00 O ATOM 251 CB HIS A 17 -5.743 4.627 -4.458 1.00 1.00 C ATOM 252 CG HIS A 17 -6.249 3.457 -5.267 1.00 1.00 C ATOM 253 ND1 HIS A 17 -7.150 3.598 -6.308 1.00 1.00 N ATOM 254 CD2 HIS A 17 -5.970 2.125 -5.177 1.00 1.00 C ATOM 255 CE1 HIS A 17 -7.396 2.398 -6.814 1.00 1.00 C ATOM 256 NE2 HIS A 17 -6.664 1.487 -6.111 1.00 1.00 N ATOM 0 H HIS A 17 -4.346 5.983 -2.899 1.00 1.00 H new ATOM 0 HA HIS A 17 -3.720 4.075 -4.716 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -5.841 4.392 -3.398 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -6.378 5.492 -4.653 1.00 1.00 H new ATOM 0 HD1 HIS A 17 -7.556 4.476 -6.631 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -5.298 1.667 -4.466 1.00 1.00 H new ATOM 0 HE1 HIS A 17 -8.059 2.180 -7.638 1.00 1.00 H new ATOM 264 N LYS A 18 -4.641 6.807 -6.310 1.00 1.00 N ATOM 265 CA LYS A 18 -4.541 7.503 -7.582 1.00 1.00 C ATOM 266 C LYS A 18 -3.074 7.561 -8.012 1.00 1.00 C ATOM 267 O LYS A 18 -2.729 7.132 -9.112 1.00 1.00 O ATOM 268 CB LYS A 18 -5.212 8.875 -7.496 1.00 1.00 C ATOM 269 CG LYS A 18 -5.230 9.563 -8.863 1.00 1.00 C ATOM 270 CD LYS A 18 -6.047 8.754 -9.873 1.00 1.00 C ATOM 271 CE LYS A 18 -5.170 8.284 -11.035 1.00 1.00 C ATOM 272 NZ LYS A 18 -5.738 7.065 -11.653 1.00 1.00 N ATOM 0 H LYS A 18 -5.149 7.314 -5.585 1.00 1.00 H new ATOM 0 HA LYS A 18 -5.080 6.959 -8.358 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -6.232 8.763 -7.128 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -4.681 9.499 -6.778 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -5.653 10.563 -8.765 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -4.210 9.683 -9.228 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -6.494 7.892 -9.378 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -6.867 9.363 -10.254 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -5.091 9.074 -11.782 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -4.160 8.081 -10.678 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -5.131 6.759 -12.440 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -5.791 6.308 -10.942 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -6.692 7.270 -12.012 1.00 1.00 H new ATOM 285 N ALA A 19 -2.251 8.096 -7.122 1.00 1.00 N ATOM 286 CA ALA A 19 -0.829 8.216 -7.397 1.00 1.00 C ATOM 287 C ALA A 19 -0.266 6.841 -7.763 1.00 1.00 C ATOM 288 O ALA A 19 0.402 6.692 -8.784 1.00 1.00 O ATOM 289 CB ALA A 19 -0.125 8.830 -6.185 1.00 1.00 C ATOM 0 H ALA A 19 -2.541 8.451 -6.211 1.00 1.00 H new ATOM 0 HA ALA A 19 -0.657 8.879 -8.245 1.00 1.00 H new ATOM 0 HB1 ALA A 19 0.942 8.920 -6.391 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -0.541 9.817 -5.984 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -0.274 8.190 -5.315 1.00 1.00 H new ATOM 295 N HIS A 20 -0.558 5.872 -6.908 1.00 1.00 N ATOM 296 CA HIS A 20 -0.090 4.514 -7.129 1.00 1.00 C ATOM 297 C HIS A 20 -0.666 3.979 -8.441 1.00 1.00 C ATOM 298 O HIS A 20 -0.053 3.136 -9.094 1.00 1.00 O ATOM 299 CB HIS A 20 -0.420 3.624 -5.929 1.00 1.00 C ATOM 300 CG HIS A 20 0.588 3.704 -4.808 1.00 1.00 C ATOM 301 ND1 HIS A 20 0.587 4.723 -3.871 1.00 1.00 N ATOM 302 CD2 HIS A 20 1.628 2.883 -4.483 1.00 1.00 C ATOM 303 CE1 HIS A 20 1.586 4.514 -3.025 1.00 1.00 C ATOM 304 NE2 HIS A 20 2.230 3.374 -3.407 1.00 1.00 N ATOM 0 H HIS A 20 -1.112 6.000 -6.061 1.00 1.00 H new ATOM 0 HA HIS A 20 0.996 4.510 -7.222 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -1.400 3.902 -5.542 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -0.492 2.590 -6.266 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -0.071 5.502 -3.837 1.00 1.00 H new ATOM 0 HD2 HIS A 20 1.913 1.986 -5.012 1.00 1.00 H new ATOM 0 HE1 HIS A 20 1.845 5.137 -2.182 1.00 1.00 H new ATOM 312 N GLN A 21 -1.838 4.491 -8.787 1.00 1.00 N ATOM 313 CA GLN A 21 -2.504 4.075 -10.010 1.00 1.00 C ATOM 314 C GLN A 21 -1.777 4.643 -11.230 1.00 1.00 C ATOM 315 O GLN A 21 -2.097 4.295 -12.366 1.00 1.00 O ATOM 316 CB GLN A 21 -3.975 4.497 -10.003 1.00 1.00 C ATOM 317 CG GLN A 21 -4.821 3.521 -9.183 1.00 1.00 C ATOM 318 CD GLN A 21 -6.199 4.113 -8.877 1.00 1.00 C ATOM 319 OE1 GLN A 21 -6.338 5.084 -8.151 1.00 1.00 O ATOM 320 NE2 GLN A 21 -7.205 3.476 -9.469 1.00 1.00 N ATOM 0 H GLN A 21 -2.343 5.190 -8.242 1.00 1.00 H new ATOM 0 HA GLN A 21 -2.472 2.987 -10.066 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -4.067 5.501 -9.588 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -4.350 4.539 -11.026 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -4.937 2.586 -9.730 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -4.308 3.284 -8.251 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -7.018 2.669 -10.065 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -8.164 3.794 -9.328 1.00 1.00 H new ATOM 329 N LYS A 22 -0.811 5.507 -10.955 1.00 1.00 N ATOM 330 CA LYS A 22 -0.035 6.127 -12.016 1.00 1.00 C ATOM 331 C LYS A 22 1.368 5.517 -12.038 1.00 1.00 C ATOM 332 O LYS A 22 1.916 5.252 -13.106 1.00 1.00 O ATOM 333 CB LYS A 22 -0.042 7.649 -11.866 1.00 1.00 C ATOM 334 CG LYS A 22 0.254 8.333 -13.202 1.00 1.00 C ATOM 335 CD LYS A 22 -1.006 8.419 -14.066 1.00 1.00 C ATOM 336 CE LYS A 22 -0.927 9.601 -15.034 1.00 1.00 C ATOM 337 NZ LYS A 22 -2.253 10.243 -15.177 1.00 1.00 N ATOM 0 H LYS A 22 -0.548 5.793 -10.012 1.00 1.00 H new ATOM 0 HA LYS A 22 -0.487 5.924 -12.987 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -1.012 7.977 -11.493 1.00 1.00 H new ATOM 0 HB3 LYS A 22 0.701 7.949 -11.127 1.00 1.00 H new ATOM 0 HG2 LYS A 22 0.645 9.334 -13.023 1.00 1.00 H new ATOM 0 HG3 LYS A 22 1.027 7.779 -13.735 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -1.131 7.493 -14.627 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -1.883 8.525 -13.427 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -0.201 10.329 -14.670 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -0.575 9.259 -16.007 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -2.182 11.043 -15.837 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -2.936 9.550 -15.545 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -2.574 10.587 -14.250 1.00 1.00 H new ATOM 350 N ALA A 23 1.909 5.314 -10.845 1.00 1.00 N ATOM 351 CA ALA A 23 3.238 4.742 -10.715 1.00 1.00 C ATOM 352 C ALA A 23 3.190 3.260 -11.096 1.00 1.00 C ATOM 353 O ALA A 23 4.182 2.705 -11.566 1.00 1.00 O ATOM 354 CB ALA A 23 3.751 4.961 -9.290 1.00 1.00 C ATOM 0 H ALA A 23 1.451 5.535 -9.961 1.00 1.00 H new ATOM 0 HA ALA A 23 3.936 5.234 -11.392 1.00 1.00 H new ATOM 0 HB1 ALA A 23 4.748 4.532 -9.192 1.00 1.00 H new ATOM 0 HB2 ALA A 23 3.794 6.029 -9.079 1.00 1.00 H new ATOM 0 HB3 ALA A 23 3.077 4.478 -8.582 1.00 1.00 H new ATOM 360 N VAL A 24 2.028 2.664 -10.878 1.00 1.00 N ATOM 361 CA VAL A 24 1.838 1.258 -11.193 1.00 1.00 C ATOM 362 C VAL A 24 0.622 1.105 -12.108 1.00 1.00 C ATOM 363 O VAL A 24 -0.475 0.750 -11.682 1.00 1.00 O ATOM 364 CB VAL A 24 1.721 0.444 -9.902 1.00 1.00 C ATOM 365 CG1 VAL A 24 1.350 -1.010 -10.203 1.00 1.00 C ATOM 366 CG2 VAL A 24 3.013 0.523 -9.086 1.00 1.00 C ATOM 0 H VAL A 24 1.208 3.128 -10.487 1.00 1.00 H new ATOM 0 HA VAL A 24 2.701 0.867 -11.731 1.00 1.00 H new ATOM 0 HB VAL A 24 0.920 0.877 -9.303 1.00 1.00 H new ATOM 0 HG11 VAL A 24 1.273 -1.567 -9.269 1.00 1.00 H new ATOM 0 HG12 VAL A 24 0.393 -1.041 -10.724 1.00 1.00 H new ATOM 0 HG13 VAL A 24 2.119 -1.459 -10.831 1.00 1.00 H new ATOM 0 HG21 VAL A 24 2.904 -0.064 -8.174 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.840 0.127 -9.675 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.217 1.562 -8.827 1.00 1.00 H new ATOM 376 N PRO A 25 0.845 1.384 -13.394 1.00 1.00 N ATOM 377 CA PRO A 25 -0.160 1.304 -14.433 1.00 1.00 C ATOM 378 C PRO A 25 -0.705 -0.115 -14.508 1.00 1.00 C ATOM 379 O PRO A 25 -1.736 -0.322 -15.145 1.00 1.00 O ATOM 380 CB PRO A 25 0.576 1.677 -15.718 1.00 1.00 C ATOM 381 CG PRO A 25 1.799 2.409 -15.293 1.00 1.00 C ATOM 382 CD PRO A 25 2.122 1.804 -13.929 1.00 1.00 C ATOM 0 HA PRO A 25 -1.010 1.962 -14.253 1.00 1.00 H new ATOM 0 HB2 PRO A 25 0.834 0.787 -16.292 1.00 1.00 H new ATOM 0 HB3 PRO A 25 -0.049 2.300 -16.359 1.00 1.00 H new ATOM 0 HG2 PRO A 25 2.617 2.267 -15.999 1.00 1.00 H new ATOM 0 HG3 PRO A 25 1.621 3.482 -15.224 1.00 1.00 H new ATOM 0 HD2 PRO A 25 2.807 0.961 -14.023 1.00 1.00 H new ATOM 0 HD3 PRO A 25 2.602 2.534 -13.277 1.00 1.00 H new ATOM 390 N ASP A 26 -0.016 -1.050 -13.870 1.00 1.00 N ATOM 391 CA ASP A 26 -0.450 -2.437 -13.881 1.00 1.00 C ATOM 392 C ASP A 26 -1.307 -2.708 -12.643 1.00 1.00 C ATOM 393 O ASP A 26 -0.784 -3.046 -11.583 1.00 1.00 O ATOM 394 CB ASP A 26 0.748 -3.388 -13.844 1.00 1.00 C ATOM 395 CG ASP A 26 2.110 -2.721 -14.042 1.00 1.00 C ATOM 396 OD1 ASP A 26 2.526 -1.868 -13.244 1.00 1.00 O ATOM 397 OD2 ASP A 26 2.764 -3.116 -15.082 1.00 1.00 O ATOM 0 H ASP A 26 0.839 -0.875 -13.342 1.00 1.00 H new ATOM 0 HA ASP A 26 -1.017 -2.606 -14.796 1.00 1.00 H new ATOM 0 HB2 ASP A 26 0.751 -3.907 -12.886 1.00 1.00 H new ATOM 0 HB3 ASP A 26 0.615 -4.145 -14.617 1.00 1.00 H new ATOM 403 N CYS A 27 -2.611 -2.549 -12.819 1.00 1.00 N ATOM 404 CA CYS A 27 -3.546 -2.773 -11.730 1.00 1.00 C ATOM 405 C CYS A 27 -3.708 -4.282 -11.538 1.00 1.00 C ATOM 406 O CYS A 27 -4.815 -4.808 -11.634 1.00 1.00 O ATOM 407 CB CYS A 27 -4.888 -2.083 -11.986 1.00 1.00 C ATOM 408 SG CYS A 27 -4.777 -0.510 -12.915 1.00 1.00 S ATOM 0 H CYS A 27 -3.042 -2.268 -13.700 1.00 1.00 H new ATOM 0 HA CYS A 27 -3.154 -2.332 -10.814 1.00 1.00 H new ATOM 0 HB2 CYS A 27 -5.534 -2.768 -12.535 1.00 1.00 H new ATOM 0 HB3 CYS A 27 -5.370 -1.890 -11.028 1.00 1.00 H new ATOM 413 N LYS A 28 -2.587 -4.936 -11.270 1.00 1.00 N ATOM 414 CA LYS A 28 -2.590 -6.374 -11.063 1.00 1.00 C ATOM 415 C LYS A 28 -1.625 -6.724 -9.929 1.00 1.00 C ATOM 416 O LYS A 28 -1.977 -7.473 -9.019 1.00 1.00 O ATOM 417 CB LYS A 28 -2.289 -7.104 -12.374 1.00 1.00 C ATOM 418 CG LYS A 28 -0.910 -6.718 -12.913 1.00 1.00 C ATOM 419 CD LYS A 28 -0.577 -7.506 -14.181 1.00 1.00 C ATOM 420 CE LYS A 28 0.778 -8.205 -14.052 1.00 1.00 C ATOM 421 NZ LYS A 28 0.596 -9.616 -13.647 1.00 1.00 N ATOM 0 H LYS A 28 -1.670 -4.496 -11.191 1.00 1.00 H new ATOM 0 HA LYS A 28 -3.579 -6.713 -10.756 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -2.332 -8.181 -12.213 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -3.053 -6.862 -13.113 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -0.885 -5.650 -13.128 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -0.152 -6.908 -12.153 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -1.355 -8.246 -14.369 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -0.563 -6.833 -15.038 1.00 1.00 H new ATOM 0 HE2 LYS A 28 1.310 -8.159 -15.002 1.00 1.00 H new ATOM 0 HE3 LYS A 28 1.393 -7.686 -13.317 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 1.525 -10.076 -13.564 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 0.108 -9.654 -12.729 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 0.027 -10.112 -14.362 1.00 1.00 H new ATOM 434 N LYS A 29 -0.428 -6.165 -10.019 1.00 1.00 N ATOM 435 CA LYS A 29 0.591 -6.409 -9.012 1.00 1.00 C ATOM 436 C LYS A 29 0.036 -6.044 -7.634 1.00 1.00 C ATOM 437 O LYS A 29 0.547 -6.503 -6.613 1.00 1.00 O ATOM 438 CB LYS A 29 1.884 -5.674 -9.368 1.00 1.00 C ATOM 439 CG LYS A 29 2.891 -5.748 -8.219 1.00 1.00 C ATOM 440 CD LYS A 29 3.555 -7.125 -8.160 1.00 1.00 C ATOM 441 CE LYS A 29 5.057 -6.999 -7.898 1.00 1.00 C ATOM 442 NZ LYS A 29 5.787 -8.132 -8.508 1.00 1.00 N ATOM 0 H LYS A 29 -0.140 -5.543 -10.774 1.00 1.00 H new ATOM 0 HA LYS A 29 0.852 -7.467 -8.982 1.00 1.00 H new ATOM 0 HB2 LYS A 29 2.319 -6.111 -10.267 1.00 1.00 H new ATOM 0 HB3 LYS A 29 1.663 -4.631 -9.596 1.00 1.00 H new ATOM 0 HG2 LYS A 29 3.652 -4.978 -8.348 1.00 1.00 H new ATOM 0 HG3 LYS A 29 2.387 -5.543 -7.275 1.00 1.00 H new ATOM 0 HD2 LYS A 29 3.094 -7.722 -7.373 1.00 1.00 H new ATOM 0 HD3 LYS A 29 3.389 -7.653 -9.099 1.00 1.00 H new ATOM 0 HE2 LYS A 29 5.426 -6.059 -8.308 1.00 1.00 H new ATOM 0 HE3 LYS A 29 5.244 -6.974 -6.824 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 6.805 -8.030 -8.320 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 5.447 -9.025 -8.098 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 5.623 -8.138 -9.535 1.00 1.00 H new ATOM 455 N CYS A 30 -1.003 -5.221 -7.648 1.00 1.00 N ATOM 456 CA CYS A 30 -1.633 -4.790 -6.412 1.00 1.00 C ATOM 457 C CYS A 30 -2.977 -5.510 -6.280 1.00 1.00 C ATOM 458 O CYS A 30 -3.407 -5.831 -5.174 1.00 1.00 O ATOM 459 CB CYS A 30 -1.793 -3.269 -6.360 1.00 1.00 C ATOM 460 SG CYS A 30 -0.529 -2.544 -5.252 1.00 1.00 S ATOM 0 H CYS A 30 -1.424 -4.842 -8.496 1.00 1.00 H new ATOM 0 HA CYS A 30 -0.997 -5.053 -5.566 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -1.694 -2.850 -7.361 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -2.791 -3.012 -6.004 1.00 1.00 H new ATOM 465 N HIS A 31 -3.602 -5.742 -7.425 1.00 1.00 N ATOM 466 CA HIS A 31 -4.888 -6.418 -7.452 1.00 1.00 C ATOM 467 C HIS A 31 -4.719 -7.818 -8.044 1.00 1.00 C ATOM 468 O HIS A 31 -4.483 -7.965 -9.243 1.00 1.00 O ATOM 469 CB HIS A 31 -5.927 -5.580 -8.198 1.00 1.00 C ATOM 470 CG HIS A 31 -6.375 -4.347 -7.449 1.00 1.00 C ATOM 471 ND1 HIS A 31 -7.194 -4.404 -6.335 1.00 1.00 N ATOM 472 CD2 HIS A 31 -6.110 -3.027 -7.665 1.00 1.00 C ATOM 473 CE1 HIS A 31 -7.406 -3.168 -5.909 1.00 1.00 C ATOM 474 NE2 HIS A 31 -6.734 -2.316 -6.735 1.00 1.00 N ATOM 0 H HIS A 31 -3.242 -5.474 -8.341 1.00 1.00 H new ATOM 0 HA HIS A 31 -5.263 -6.534 -6.435 1.00 1.00 H new ATOM 0 HB2 HIS A 31 -5.512 -5.278 -9.160 1.00 1.00 H new ATOM 0 HB3 HIS A 31 -6.798 -6.202 -8.408 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -7.570 -5.253 -5.914 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -5.496 -2.628 -8.459 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -8.006 -2.885 -5.057 1.00 1.00 H new ATOM 482 N GLU A 32 -4.847 -8.812 -7.177 1.00 1.00 N ATOM 483 CA GLU A 32 -4.712 -10.196 -7.600 1.00 1.00 C ATOM 484 C GLU A 32 -5.906 -10.606 -8.463 1.00 1.00 C ATOM 485 O GLU A 32 -5.952 -10.298 -9.653 1.00 1.00 O ATOM 486 CB GLU A 32 -4.562 -11.125 -6.394 1.00 1.00 C ATOM 487 CG GLU A 32 -4.504 -12.590 -6.834 1.00 1.00 C ATOM 488 CD GLU A 32 -3.057 -13.048 -7.024 1.00 1.00 C ATOM 489 OE1 GLU A 32 -2.165 -12.609 -6.283 1.00 1.00 O ATOM 490 OE2 GLU A 32 -2.874 -13.892 -7.982 1.00 1.00 O ATOM 0 H GLU A 32 -5.043 -8.687 -6.184 1.00 1.00 H new ATOM 0 HA GLU A 32 -3.807 -10.286 -8.201 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -3.656 -10.870 -5.845 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -5.400 -10.979 -5.712 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -4.993 -13.217 -6.088 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -5.054 -12.716 -7.766 1.00 1.00 H new ATOM 498 N LYS A 33 -6.844 -11.296 -7.831 1.00 1.00 N ATOM 499 CA LYS A 33 -8.036 -11.752 -8.526 1.00 1.00 C ATOM 500 C LYS A 33 -8.504 -10.663 -9.494 1.00 1.00 C ATOM 501 O LYS A 33 -9.094 -10.962 -10.531 1.00 1.00 O ATOM 502 CB LYS A 33 -9.108 -12.186 -7.524 1.00 1.00 C ATOM 503 CG LYS A 33 -8.776 -13.554 -6.925 1.00 1.00 C ATOM 504 CD LYS A 33 -8.286 -13.417 -5.482 1.00 1.00 C ATOM 505 CE LYS A 33 -7.661 -14.723 -4.989 1.00 1.00 C ATOM 506 NZ LYS A 33 -8.274 -15.140 -3.708 1.00 1.00 N ATOM 0 H LYS A 33 -6.803 -11.551 -6.844 1.00 1.00 H new ATOM 0 HA LYS A 33 -7.814 -12.637 -9.123 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -9.188 -11.446 -6.728 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -10.078 -12.227 -8.019 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -9.660 -14.192 -6.954 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -8.011 -14.043 -7.528 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -7.554 -12.612 -5.418 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -9.119 -13.142 -4.836 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -7.799 -15.504 -5.736 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -6.587 -14.593 -4.859 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -7.838 -16.028 -3.388 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -8.120 -14.401 -2.993 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -9.295 -15.284 -3.842 1.00 1.00 H new ATOM 519 N GLY A 34 -8.223 -9.423 -9.121 1.00 1.00 N ATOM 520 CA GLY A 34 -8.608 -8.289 -9.943 1.00 1.00 C ATOM 521 C GLY A 34 -8.921 -7.066 -9.078 1.00 1.00 C ATOM 522 O GLY A 34 -8.957 -7.126 -7.852 1.00 1.00 O ATOM 0 H GLY A 34 -7.733 -9.179 -8.260 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -7.804 -8.050 -10.639 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -9.481 -8.549 -10.541 1.00 1.00 H new ATOM 526 N PRO A 35 -9.150 -5.939 -9.757 1.00 1.00 N ATOM 527 CA PRO A 35 -9.465 -4.667 -9.143 1.00 1.00 C ATOM 528 C PRO A 35 -10.584 -4.854 -8.127 1.00 1.00 C ATOM 529 O PRO A 35 -11.668 -5.289 -8.511 1.00 1.00 O ATOM 530 CB PRO A 35 -9.918 -3.777 -10.298 1.00 1.00 C ATOM 531 CG PRO A 35 -10.128 -4.741 -11.538 1.00 1.00 C ATOM 532 CD PRO A 35 -9.116 -5.833 -11.199 1.00 1.00 C ATOM 0 HA PRO A 35 -8.620 -4.232 -8.610 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -10.842 -3.255 -10.049 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -9.171 -3.015 -10.519 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -11.147 -5.122 -11.601 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -9.911 -4.252 -12.488 1.00 1.00 H new ATOM 0 HD2 PRO A 35 -9.383 -6.779 -11.671 1.00 1.00 H new ATOM 0 HD3 PRO A 35 -8.119 -5.571 -11.552 1.00 1.00 H new ATOM 540 N GLY A 36 -10.306 -4.531 -6.873 1.00 1.00 N ATOM 541 CA GLY A 36 -11.304 -4.673 -5.825 1.00 1.00 C ATOM 542 C GLY A 36 -10.655 -5.093 -4.504 1.00 1.00 C ATOM 543 O GLY A 36 -9.435 -5.032 -4.361 1.00 1.00 O ATOM 0 H GLY A 36 -9.405 -4.172 -6.558 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -11.833 -3.729 -5.691 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -12.046 -5.414 -6.122 1.00 1.00 H new ATOM 547 N LYS A 37 -11.501 -5.509 -3.573 1.00 1.00 N ATOM 548 CA LYS A 37 -11.026 -5.938 -2.269 1.00 1.00 C ATOM 549 C LYS A 37 -9.932 -6.992 -2.451 1.00 1.00 C ATOM 550 O LYS A 37 -9.918 -7.711 -3.449 1.00 1.00 O ATOM 551 CB LYS A 37 -12.194 -6.408 -1.401 1.00 1.00 C ATOM 552 CG LYS A 37 -12.549 -5.360 -0.344 1.00 1.00 C ATOM 553 CD LYS A 37 -12.074 -5.798 1.043 1.00 1.00 C ATOM 554 CE LYS A 37 -13.142 -5.515 2.102 1.00 1.00 C ATOM 555 NZ LYS A 37 -14.111 -6.631 2.172 1.00 1.00 N ATOM 0 H LYS A 37 -12.512 -5.558 -3.696 1.00 1.00 H new ATOM 0 HA LYS A 37 -10.578 -5.101 -1.733 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -13.063 -6.604 -2.029 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -11.934 -7.348 -0.914 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -12.091 -4.406 -0.605 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -13.628 -5.203 -0.330 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -11.840 -6.863 1.032 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -11.154 -5.272 1.299 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -12.670 -5.374 3.074 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -13.663 -4.588 1.863 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -14.829 -6.423 2.895 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -14.574 -6.747 1.248 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -13.612 -7.509 2.422 1.00 1.00 H new ATOM 568 N ILE A 38 -9.041 -7.050 -1.472 1.00 1.00 N ATOM 569 CA ILE A 38 -7.946 -8.004 -1.511 1.00 1.00 C ATOM 570 C ILE A 38 -8.081 -8.979 -0.339 1.00 1.00 C ATOM 571 O ILE A 38 -8.404 -8.572 0.776 1.00 1.00 O ATOM 572 CB ILE A 38 -6.602 -7.275 -1.553 1.00 1.00 C ATOM 573 CG1 ILE A 38 -6.609 -6.171 -2.612 1.00 1.00 C ATOM 574 CG2 ILE A 38 -5.450 -8.261 -1.761 1.00 1.00 C ATOM 575 CD1 ILE A 38 -5.420 -5.227 -2.428 1.00 1.00 C ATOM 0 H ILE A 38 -9.055 -6.451 -0.646 1.00 1.00 H new ATOM 0 HA ILE A 38 -7.990 -8.597 -2.425 1.00 1.00 H new ATOM 0 HB ILE A 38 -6.445 -6.794 -0.588 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -6.574 -6.616 -3.606 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -7.539 -5.607 -2.548 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -4.506 -7.717 -1.787 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.433 -8.979 -0.941 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.590 -8.790 -2.703 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -5.449 -4.452 -3.194 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.471 -4.765 -1.442 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.491 -5.790 -2.517 1.00 1.00 H new ATOM 587 N GLU A 39 -7.828 -10.245 -0.632 1.00 1.00 N ATOM 588 CA GLU A 39 -7.917 -11.281 0.384 1.00 1.00 C ATOM 589 C GLU A 39 -6.517 -11.707 0.831 1.00 1.00 C ATOM 590 O GLU A 39 -5.746 -12.246 0.039 1.00 1.00 O ATOM 591 CB GLU A 39 -8.720 -12.480 -0.125 1.00 1.00 C ATOM 592 CG GLU A 39 -10.194 -12.357 0.264 1.00 1.00 C ATOM 593 CD GLU A 39 -10.900 -13.712 0.172 1.00 1.00 C ATOM 594 OE1 GLU A 39 -10.260 -14.758 0.355 1.00 1.00 O ATOM 595 OE2 GLU A 39 -12.160 -13.653 -0.100 1.00 1.00 O ATOM 0 H GLU A 39 -7.561 -10.578 -1.558 1.00 1.00 H new ATOM 0 HA GLU A 39 -8.444 -10.873 1.247 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -8.631 -12.548 -1.209 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -8.307 -13.401 0.287 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -10.275 -11.969 1.279 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -10.688 -11.640 -0.392 1.00 1.00 H new ATOM 603 N GLY A 40 -6.233 -11.451 2.099 1.00 1.00 N ATOM 604 CA GLY A 40 -4.939 -11.802 2.661 1.00 1.00 C ATOM 605 C GLY A 40 -4.250 -10.573 3.259 1.00 1.00 C ATOM 606 O GLY A 40 -3.621 -10.661 4.313 1.00 1.00 O ATOM 0 H GLY A 40 -6.876 -11.005 2.753 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -5.067 -12.562 3.431 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -4.308 -12.236 1.886 1.00 1.00 H new ATOM 610 N PHE A 41 -4.391 -9.457 2.560 1.00 1.00 N ATOM 611 CA PHE A 41 -3.789 -8.212 3.009 1.00 1.00 C ATOM 612 C PHE A 41 -4.462 -7.707 4.286 1.00 1.00 C ATOM 613 O PHE A 41 -5.525 -7.090 4.230 1.00 1.00 O ATOM 614 CB PHE A 41 -4.002 -7.186 1.894 1.00 1.00 C ATOM 615 CG PHE A 41 -3.265 -5.864 2.117 1.00 1.00 C ATOM 616 CD1 PHE A 41 -3.739 -4.965 3.022 1.00 1.00 C ATOM 617 CD2 PHE A 41 -2.136 -5.587 1.411 1.00 1.00 C ATOM 618 CE1 PHE A 41 -3.055 -3.738 3.228 1.00 1.00 C ATOM 619 CE2 PHE A 41 -1.453 -4.359 1.618 1.00 1.00 C ATOM 620 CZ PHE A 41 -1.926 -3.461 2.522 1.00 1.00 C ATOM 0 H PHE A 41 -4.913 -9.388 1.686 1.00 1.00 H new ATOM 0 HA PHE A 41 -2.732 -8.366 3.225 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -3.674 -7.618 0.949 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -5.069 -6.984 1.799 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -4.635 -5.185 3.583 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -1.759 -6.301 0.693 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -3.431 -3.024 3.946 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -0.557 -4.139 1.057 1.00 1.00 H new ATOM 0 HZ PHE A 41 -1.406 -2.528 2.680 1.00 1.00 H new ATOM 630 N GLY A 42 -3.816 -7.988 5.408 1.00 1.00 N ATOM 631 CA GLY A 42 -4.338 -7.570 6.698 1.00 1.00 C ATOM 632 C GLY A 42 -3.260 -6.865 7.524 1.00 1.00 C ATOM 633 O GLY A 42 -3.573 -6.098 8.433 1.00 1.00 O ATOM 0 H GLY A 42 -2.935 -8.500 5.450 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -5.185 -6.900 6.552 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -4.709 -8.438 7.243 1.00 1.00 H new ATOM 637 N LYS A 43 -2.014 -7.149 7.177 1.00 1.00 N ATOM 638 CA LYS A 43 -0.888 -6.551 7.874 1.00 1.00 C ATOM 639 C LYS A 43 0.417 -7.070 7.267 1.00 1.00 C ATOM 640 O LYS A 43 1.101 -6.346 6.546 1.00 1.00 O ATOM 641 CB LYS A 43 -1.003 -6.791 9.381 1.00 1.00 C ATOM 642 CG LYS A 43 0.276 -6.363 10.104 1.00 1.00 C ATOM 643 CD LYS A 43 1.213 -7.555 10.313 1.00 1.00 C ATOM 644 CE LYS A 43 2.053 -7.376 11.579 1.00 1.00 C ATOM 645 NZ LYS A 43 3.234 -8.267 11.547 1.00 1.00 N ATOM 0 H LYS A 43 -1.759 -7.786 6.422 1.00 1.00 H new ATOM 0 HA LYS A 43 -0.891 -5.469 7.745 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -1.853 -6.235 9.778 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -1.196 -7.847 9.571 1.00 1.00 H new ATOM 0 HG2 LYS A 43 0.785 -5.593 9.525 1.00 1.00 H new ATOM 0 HG3 LYS A 43 0.023 -5.922 11.068 1.00 1.00 H new ATOM 0 HD2 LYS A 43 0.629 -8.473 10.386 1.00 1.00 H new ATOM 0 HD3 LYS A 43 1.869 -7.663 9.449 1.00 1.00 H new ATOM 0 HE2 LYS A 43 2.375 -6.338 11.665 1.00 1.00 H new ATOM 0 HE3 LYS A 43 1.448 -7.596 12.458 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 3.793 -8.133 12.413 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 2.921 -9.257 11.487 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 3.819 -8.038 10.718 1.00 1.00 H new ATOM 658 N GLU A 44 0.722 -8.321 7.581 1.00 1.00 N ATOM 659 CA GLU A 44 1.933 -8.945 7.074 1.00 1.00 C ATOM 660 C GLU A 44 2.181 -8.524 5.625 1.00 1.00 C ATOM 661 O GLU A 44 3.287 -8.115 5.274 1.00 1.00 O ATOM 662 CB GLU A 44 1.856 -10.468 7.197 1.00 1.00 C ATOM 663 CG GLU A 44 2.893 -11.144 6.297 1.00 1.00 C ATOM 664 CD GLU A 44 4.314 -10.860 6.788 1.00 1.00 C ATOM 665 OE1 GLU A 44 4.632 -9.714 7.139 1.00 1.00 O ATOM 666 OE2 GLU A 44 5.101 -11.883 6.800 1.00 1.00 O ATOM 0 H GLU A 44 0.152 -8.919 8.180 1.00 1.00 H new ATOM 0 HA GLU A 44 2.774 -8.606 7.679 1.00 1.00 H new ATOM 0 HB2 GLU A 44 2.022 -10.762 8.233 1.00 1.00 H new ATOM 0 HB3 GLU A 44 0.857 -10.808 6.926 1.00 1.00 H new ATOM 0 HG2 GLU A 44 2.719 -12.220 6.280 1.00 1.00 H new ATOM 0 HG3 GLU A 44 2.780 -10.786 5.274 1.00 1.00 H new ATOM 674 N MET A 45 1.134 -8.637 4.821 1.00 1.00 N ATOM 675 CA MET A 45 1.225 -8.273 3.418 1.00 1.00 C ATOM 676 C MET A 45 1.801 -6.865 3.253 1.00 1.00 C ATOM 677 O MET A 45 2.815 -6.680 2.581 1.00 1.00 O ATOM 678 CB MET A 45 -0.166 -8.332 2.783 1.00 1.00 C ATOM 679 CG MET A 45 -0.670 -9.775 2.703 1.00 1.00 C ATOM 680 SD MET A 45 0.454 -10.761 1.728 1.00 1.00 S ATOM 681 CE MET A 45 1.289 -11.655 3.028 1.00 1.00 C ATOM 0 H MET A 45 0.218 -8.976 5.115 1.00 1.00 H new ATOM 0 HA MET A 45 1.891 -8.979 2.922 1.00 1.00 H new ATOM 0 HB2 MET A 45 -0.863 -7.731 3.368 1.00 1.00 H new ATOM 0 HB3 MET A 45 -0.132 -7.899 1.783 1.00 1.00 H new ATOM 0 HG2 MET A 45 -0.759 -10.194 3.705 1.00 1.00 H new ATOM 0 HG3 MET A 45 -1.665 -9.797 2.259 1.00 1.00 H new ATOM 0 HE1 MET A 45 2.367 -11.549 2.908 1.00 1.00 H new ATOM 0 HE2 MET A 45 0.990 -11.253 3.996 1.00 1.00 H new ATOM 0 HE3 MET A 45 1.020 -12.710 2.975 1.00 1.00 H new ATOM 691 N ALA A 46 1.130 -5.908 3.877 1.00 1.00 N ATOM 692 CA ALA A 46 1.563 -4.523 3.808 1.00 1.00 C ATOM 693 C ALA A 46 3.018 -4.424 4.271 1.00 1.00 C ATOM 694 O ALA A 46 3.812 -3.692 3.682 1.00 1.00 O ATOM 695 CB ALA A 46 0.624 -3.652 4.646 1.00 1.00 C ATOM 0 H ALA A 46 0.289 -6.065 4.433 1.00 1.00 H new ATOM 0 HA ALA A 46 1.518 -4.158 2.782 1.00 1.00 H new ATOM 0 HB1 ALA A 46 0.949 -2.613 4.594 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -0.391 -3.735 4.258 1.00 1.00 H new ATOM 0 HB3 ALA A 46 0.645 -3.988 5.683 1.00 1.00 H new ATOM 701 N HIS A 47 3.324 -5.172 5.321 1.00 1.00 N ATOM 702 CA HIS A 47 4.670 -5.178 5.869 1.00 1.00 C ATOM 703 C HIS A 47 5.558 -6.106 5.038 1.00 1.00 C ATOM 704 O HIS A 47 6.688 -6.400 5.425 1.00 1.00 O ATOM 705 CB HIS A 47 4.650 -5.548 7.353 1.00 1.00 C ATOM 706 CG HIS A 47 3.853 -4.595 8.213 1.00 1.00 C ATOM 707 ND1 HIS A 47 2.999 -5.024 9.214 1.00 1.00 N ATOM 708 CD2 HIS A 47 3.791 -3.233 8.211 1.00 1.00 C ATOM 709 CE1 HIS A 47 2.453 -3.960 9.782 1.00 1.00 C ATOM 710 NE2 HIS A 47 2.944 -2.850 9.158 1.00 1.00 N ATOM 0 H HIS A 47 2.663 -5.778 5.807 1.00 1.00 H new ATOM 0 HA HIS A 47 5.096 -4.176 5.810 1.00 1.00 H new ATOM 0 HB2 HIS A 47 4.237 -6.551 7.461 1.00 1.00 H new ATOM 0 HB3 HIS A 47 5.675 -5.584 7.722 1.00 1.00 H new ATOM 0 HD1 HIS A 47 2.821 -5.995 9.471 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.339 -2.577 7.551 1.00 1.00 H new ATOM 0 HE1 HIS A 47 1.744 -3.969 10.596 1.00 1.00 H new ATOM 718 N GLY A 48 5.014 -6.542 3.911 1.00 1.00 N ATOM 719 CA GLY A 48 5.743 -7.431 3.023 1.00 1.00 C ATOM 720 C GLY A 48 5.207 -7.336 1.592 1.00 1.00 C ATOM 721 O GLY A 48 5.010 -6.240 1.071 1.00 1.00 O ATOM 0 H GLY A 48 4.077 -6.296 3.593 1.00 1.00 H new ATOM 0 HA2 GLY A 48 6.803 -7.176 3.036 1.00 1.00 H new ATOM 0 HA3 GLY A 48 5.658 -8.457 3.380 1.00 1.00 H new ATOM 725 N LYS A 49 4.988 -8.500 0.999 1.00 1.00 N ATOM 726 CA LYS A 49 4.479 -8.562 -0.361 1.00 1.00 C ATOM 727 C LYS A 49 3.083 -7.937 -0.408 1.00 1.00 C ATOM 728 O LYS A 49 2.082 -8.650 -0.457 1.00 1.00 O ATOM 729 CB LYS A 49 4.528 -9.999 -0.886 1.00 1.00 C ATOM 730 CG LYS A 49 5.256 -10.067 -2.230 1.00 1.00 C ATOM 731 CD LYS A 49 6.654 -10.666 -2.066 1.00 1.00 C ATOM 732 CE LYS A 49 7.477 -10.493 -3.344 1.00 1.00 C ATOM 733 NZ LYS A 49 8.062 -11.786 -3.763 1.00 1.00 N ATOM 0 H LYS A 49 5.153 -9.407 1.435 1.00 1.00 H new ATOM 0 HA LYS A 49 5.111 -7.980 -1.032 1.00 1.00 H new ATOM 0 HB2 LYS A 49 5.034 -10.638 -0.162 1.00 1.00 H new ATOM 0 HB3 LYS A 49 3.514 -10.384 -0.997 1.00 1.00 H new ATOM 0 HG2 LYS A 49 4.678 -10.670 -2.931 1.00 1.00 H new ATOM 0 HG3 LYS A 49 5.333 -9.067 -2.657 1.00 1.00 H new ATOM 0 HD2 LYS A 49 7.165 -10.184 -1.232 1.00 1.00 H new ATOM 0 HD3 LYS A 49 6.574 -11.725 -1.821 1.00 1.00 H new ATOM 0 HE2 LYS A 49 6.845 -10.098 -4.140 1.00 1.00 H new ATOM 0 HE3 LYS A 49 8.271 -9.765 -3.177 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 8.617 -11.650 -4.632 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 8.681 -12.148 -3.009 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 7.300 -12.470 -3.943 1.00 1.00 H new ATOM 746 N GLY A 50 3.062 -6.613 -0.392 1.00 1.00 N ATOM 747 CA GLY A 50 1.806 -5.884 -0.432 1.00 1.00 C ATOM 748 C GLY A 50 2.048 -4.384 -0.617 1.00 1.00 C ATOM 749 O GLY A 50 1.447 -3.758 -1.488 1.00 1.00 O ATOM 0 H GLY A 50 3.895 -6.026 -0.352 1.00 1.00 H new ATOM 0 HA2 GLY A 50 1.189 -6.260 -1.248 1.00 1.00 H new ATOM 0 HA3 GLY A 50 1.252 -6.056 0.491 1.00 1.00 H new ATOM 753 N CYS A 51 2.929 -3.852 0.218 1.00 1.00 N ATOM 754 CA CYS A 51 3.257 -2.438 0.157 1.00 1.00 C ATOM 755 C CYS A 51 4.777 -2.293 0.258 1.00 1.00 C ATOM 756 O CYS A 51 5.403 -1.674 -0.601 1.00 1.00 O ATOM 757 CB CYS A 51 2.535 -1.643 1.247 1.00 1.00 C ATOM 758 SG CYS A 51 0.734 -1.950 1.355 1.00 1.00 S ATOM 0 H CYS A 51 3.425 -4.375 0.940 1.00 1.00 H new ATOM 0 HA CYS A 51 2.915 -2.023 -0.791 1.00 1.00 H new ATOM 0 HB2 CYS A 51 2.988 -1.879 2.210 1.00 1.00 H new ATOM 0 HB3 CYS A 51 2.698 -0.580 1.070 1.00 1.00 H new ATOM 763 N LYS A 52 5.326 -2.875 1.314 1.00 1.00 N ATOM 764 CA LYS A 52 6.761 -2.819 1.538 1.00 1.00 C ATOM 765 C LYS A 52 7.474 -3.630 0.454 1.00 1.00 C ATOM 766 O LYS A 52 8.380 -3.126 -0.208 1.00 1.00 O ATOM 767 CB LYS A 52 7.099 -3.264 2.962 1.00 1.00 C ATOM 768 CG LYS A 52 7.738 -2.123 3.756 1.00 1.00 C ATOM 769 CD LYS A 52 9.265 -2.216 3.717 1.00 1.00 C ATOM 770 CE LYS A 52 9.806 -2.885 4.983 1.00 1.00 C ATOM 771 NZ LYS A 52 10.927 -3.793 4.650 1.00 1.00 N ATOM 0 H LYS A 52 4.803 -3.388 2.024 1.00 1.00 H new ATOM 0 HA LYS A 52 7.120 -1.793 1.456 1.00 1.00 H new ATOM 0 HB2 LYS A 52 6.193 -3.600 3.466 1.00 1.00 H new ATOM 0 HB3 LYS A 52 7.780 -4.115 2.929 1.00 1.00 H new ATOM 0 HG2 LYS A 52 7.418 -1.165 3.345 1.00 1.00 H new ATOM 0 HG3 LYS A 52 7.394 -2.157 4.790 1.00 1.00 H new ATOM 0 HD2 LYS A 52 9.576 -2.784 2.840 1.00 1.00 H new ATOM 0 HD3 LYS A 52 9.691 -1.218 3.618 1.00 1.00 H new ATOM 0 HE2 LYS A 52 10.143 -2.125 5.688 1.00 1.00 H new ATOM 0 HE3 LYS A 52 9.010 -3.445 5.474 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 11.283 -4.239 5.520 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 10.595 -4.529 3.995 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 11.692 -3.250 4.202 1.00 1.00 H new ATOM 784 N GLY A 53 7.039 -4.872 0.307 1.00 1.00 N ATOM 785 CA GLY A 53 7.624 -5.758 -0.685 1.00 1.00 C ATOM 786 C GLY A 53 8.016 -4.986 -1.946 1.00 1.00 C ATOM 787 O GLY A 53 9.125 -5.142 -2.455 1.00 1.00 O ATOM 0 H GLY A 53 6.288 -5.286 0.859 1.00 1.00 H new ATOM 0 HA2 GLY A 53 8.503 -6.248 -0.267 1.00 1.00 H new ATOM 0 HA3 GLY A 53 6.913 -6.543 -0.941 1.00 1.00 H new ATOM 791 N CYS A 54 7.085 -4.168 -2.414 1.00 1.00 N ATOM 792 CA CYS A 54 7.319 -3.371 -3.606 1.00 1.00 C ATOM 793 C CYS A 54 8.236 -2.204 -3.231 1.00 1.00 C ATOM 794 O CYS A 54 9.185 -1.900 -3.952 1.00 1.00 O ATOM 795 CB CYS A 54 6.009 -2.889 -4.231 1.00 1.00 C ATOM 796 SG CYS A 54 6.336 -2.129 -5.864 1.00 1.00 S ATOM 0 H CYS A 54 6.167 -4.040 -1.989 1.00 1.00 H new ATOM 0 HA CYS A 54 7.804 -3.983 -4.366 1.00 1.00 H new ATOM 0 HB2 CYS A 54 5.320 -3.726 -4.342 1.00 1.00 H new ATOM 0 HB3 CYS A 54 5.528 -2.165 -3.574 1.00 1.00 H new ATOM 801 N HIS A 55 7.919 -1.583 -2.105 1.00 1.00 N ATOM 802 CA HIS A 55 8.702 -0.457 -1.626 1.00 1.00 C ATOM 803 C HIS A 55 10.165 -0.876 -1.474 1.00 1.00 C ATOM 804 O HIS A 55 11.070 -0.138 -1.860 1.00 1.00 O ATOM 805 CB HIS A 55 8.109 0.106 -0.332 1.00 1.00 C ATOM 806 CG HIS A 55 6.750 0.742 -0.506 1.00 1.00 C ATOM 807 ND1 HIS A 55 5.889 0.970 0.553 1.00 1.00 N ATOM 808 CD2 HIS A 55 6.115 1.197 -1.624 1.00 1.00 C ATOM 809 CE1 HIS A 55 4.787 1.536 0.082 1.00 1.00 C ATOM 810 NE2 HIS A 55 4.929 1.675 -1.267 1.00 1.00 N ATOM 0 H HIS A 55 7.131 -1.838 -1.510 1.00 1.00 H new ATOM 0 HA HIS A 55 8.666 0.352 -2.356 1.00 1.00 H new ATOM 0 HB2 HIS A 55 8.032 -0.698 0.400 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.796 0.846 0.079 1.00 1.00 H new ATOM 0 HD1 HIS A 55 6.071 0.741 1.530 1.00 1.00 H new ATOM 0 HD2 HIS A 55 6.510 1.173 -2.629 1.00 1.00 H new ATOM 0 HE1 HIS A 55 3.928 1.835 0.664 1.00 1.00 H new ATOM 818 N GLU A 56 10.352 -2.061 -0.910 1.00 1.00 N ATOM 819 CA GLU A 56 11.690 -2.588 -0.702 1.00 1.00 C ATOM 820 C GLU A 56 12.225 -3.205 -1.996 1.00 1.00 C ATOM 821 O GLU A 56 13.432 -3.212 -2.232 1.00 1.00 O ATOM 822 CB GLU A 56 11.707 -3.606 0.440 1.00 1.00 C ATOM 823 CG GLU A 56 10.510 -4.556 0.345 1.00 1.00 C ATOM 824 CD GLU A 56 10.933 -5.999 0.623 1.00 1.00 C ATOM 825 OE1 GLU A 56 11.843 -6.518 -0.040 1.00 1.00 O ATOM 826 OE2 GLU A 56 10.280 -6.586 1.569 1.00 1.00 O ATOM 0 H GLU A 56 9.599 -2.671 -0.591 1.00 1.00 H new ATOM 0 HA GLU A 56 12.344 -1.763 -0.419 1.00 1.00 H new ATOM 0 HB2 GLU A 56 12.634 -4.179 0.408 1.00 1.00 H new ATOM 0 HB3 GLU A 56 11.687 -3.085 1.397 1.00 1.00 H new ATOM 0 HG2 GLU A 56 9.744 -4.254 1.059 1.00 1.00 H new ATOM 0 HG3 GLU A 56 10.065 -4.488 -0.648 1.00 1.00 H new ATOM 834 N GLU A 57 11.300 -3.708 -2.800 1.00 1.00 N ATOM 835 CA GLU A 57 11.663 -4.326 -4.063 1.00 1.00 C ATOM 836 C GLU A 57 12.013 -3.254 -5.097 1.00 1.00 C ATOM 837 O GLU A 57 12.803 -3.500 -6.008 1.00 1.00 O ATOM 838 CB GLU A 57 10.540 -5.233 -4.573 1.00 1.00 C ATOM 839 CG GLU A 57 10.826 -5.710 -5.998 1.00 1.00 C ATOM 840 CD GLU A 57 12.025 -6.660 -6.029 1.00 1.00 C ATOM 841 OE1 GLU A 57 13.174 -6.211 -5.903 1.00 1.00 O ATOM 842 OE2 GLU A 57 11.731 -7.905 -6.189 1.00 1.00 O ATOM 0 H GLU A 57 10.300 -3.700 -2.601 1.00 1.00 H new ATOM 0 HA GLU A 57 12.543 -4.948 -3.901 1.00 1.00 H new ATOM 0 HB2 GLU A 57 10.434 -6.093 -3.912 1.00 1.00 H new ATOM 0 HB3 GLU A 57 9.593 -4.694 -4.549 1.00 1.00 H new ATOM 0 HG2 GLU A 57 9.947 -6.215 -6.399 1.00 1.00 H new ATOM 0 HG3 GLU A 57 11.021 -4.851 -6.640 1.00 1.00 H new ATOM 850 N MET A 58 11.410 -2.088 -4.921 1.00 1.00 N ATOM 851 CA MET A 58 11.648 -0.978 -5.828 1.00 1.00 C ATOM 852 C MET A 58 12.569 0.064 -5.188 1.00 1.00 C ATOM 853 O MET A 58 13.428 0.634 -5.860 1.00 1.00 O ATOM 854 CB MET A 58 10.315 -0.323 -6.195 1.00 1.00 C ATOM 855 CG MET A 58 9.381 -1.326 -6.875 1.00 1.00 C ATOM 856 SD MET A 58 8.184 -0.463 -7.879 1.00 1.00 S ATOM 857 CE MET A 58 8.439 -1.286 -9.442 1.00 1.00 C ATOM 0 H MET A 58 10.757 -1.887 -4.164 1.00 1.00 H new ATOM 0 HA MET A 58 12.133 -1.364 -6.725 1.00 1.00 H new ATOM 0 HB2 MET A 58 9.840 0.071 -5.297 1.00 1.00 H new ATOM 0 HB3 MET A 58 10.492 0.523 -6.859 1.00 1.00 H new ATOM 0 HG2 MET A 58 9.959 -2.012 -7.494 1.00 1.00 H new ATOM 0 HG3 MET A 58 8.871 -1.928 -6.123 1.00 1.00 H new ATOM 0 HE1 MET A 58 7.765 -0.866 -10.189 1.00 1.00 H new ATOM 0 HE2 MET A 58 9.471 -1.145 -9.764 1.00 1.00 H new ATOM 0 HE3 MET A 58 8.237 -2.351 -9.330 1.00 1.00 H new ATOM 867 N LYS A 59 12.360 0.280 -3.898 1.00 1.00 N ATOM 868 CA LYS A 59 13.160 1.242 -3.161 1.00 1.00 C ATOM 869 C LYS A 59 12.750 2.659 -3.568 1.00 1.00 C ATOM 870 O LYS A 59 13.603 3.498 -3.854 1.00 1.00 O ATOM 871 CB LYS A 59 14.651 0.955 -3.349 1.00 1.00 C ATOM 872 CG LYS A 59 14.998 -0.465 -2.899 1.00 1.00 C ATOM 873 CD LYS A 59 15.222 -0.522 -1.387 1.00 1.00 C ATOM 874 CE LYS A 59 16.684 -0.239 -1.038 1.00 1.00 C ATOM 875 NZ LYS A 59 17.057 1.135 -1.442 1.00 1.00 N ATOM 0 H LYS A 59 11.647 -0.195 -3.344 1.00 1.00 H new ATOM 0 HA LYS A 59 12.974 1.151 -2.091 1.00 1.00 H new ATOM 0 HB2 LYS A 59 14.920 1.084 -4.397 1.00 1.00 H new ATOM 0 HB3 LYS A 59 15.238 1.675 -2.778 1.00 1.00 H new ATOM 0 HG2 LYS A 59 14.193 -1.145 -3.177 1.00 1.00 H new ATOM 0 HG3 LYS A 59 15.895 -0.805 -3.416 1.00 1.00 H new ATOM 0 HD2 LYS A 59 14.579 0.206 -0.893 1.00 1.00 H new ATOM 0 HD3 LYS A 59 14.938 -1.505 -1.011 1.00 1.00 H new ATOM 0 HE2 LYS A 59 16.839 -0.364 0.034 1.00 1.00 H new ATOM 0 HE3 LYS A 59 17.330 -0.960 -1.540 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 17.951 1.402 -0.982 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 17.175 1.173 -2.475 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 16.308 1.797 -1.154 1.00 1.00 H new ATOM 888 N LYS A 60 11.444 2.882 -3.582 1.00 1.00 N ATOM 889 CA LYS A 60 10.911 4.182 -3.950 1.00 1.00 C ATOM 890 C LYS A 60 9.897 4.630 -2.895 1.00 1.00 C ATOM 891 O LYS A 60 9.905 5.785 -2.472 1.00 1.00 O ATOM 892 CB LYS A 60 10.345 4.147 -5.370 1.00 1.00 C ATOM 893 CG LYS A 60 11.428 4.476 -6.400 1.00 1.00 C ATOM 894 CD LYS A 60 11.745 5.973 -6.404 1.00 1.00 C ATOM 895 CE LYS A 60 13.212 6.222 -6.758 1.00 1.00 C ATOM 896 NZ LYS A 60 13.804 7.222 -5.841 1.00 1.00 N ATOM 0 H LYS A 60 10.739 2.184 -3.344 1.00 1.00 H new ATOM 0 HA LYS A 60 11.705 4.928 -3.967 1.00 1.00 H new ATOM 0 HB2 LYS A 60 9.930 3.160 -5.576 1.00 1.00 H new ATOM 0 HB3 LYS A 60 9.526 4.861 -5.457 1.00 1.00 H new ATOM 0 HG2 LYS A 60 12.332 3.910 -6.176 1.00 1.00 H new ATOM 0 HG3 LYS A 60 11.097 4.168 -7.392 1.00 1.00 H new ATOM 0 HD2 LYS A 60 11.102 6.482 -7.122 1.00 1.00 H new ATOM 0 HD3 LYS A 60 11.527 6.397 -5.424 1.00 1.00 H new ATOM 0 HE2 LYS A 60 13.771 5.288 -6.697 1.00 1.00 H new ATOM 0 HE3 LYS A 60 13.289 6.573 -7.787 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 14.800 7.379 -6.095 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 13.281 8.118 -5.920 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 13.747 6.873 -4.863 1.00 1.00 H new ATOM 909 N GLY A 61 9.049 3.692 -2.500 1.00 1.00 N ATOM 910 CA GLY A 61 8.031 3.975 -1.502 1.00 1.00 C ATOM 911 C GLY A 61 8.627 3.970 -0.094 1.00 1.00 C ATOM 912 O GLY A 61 9.831 3.821 0.105 1.00 1.00 O ATOM 0 H GLY A 61 9.046 2.735 -2.853 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.577 4.945 -1.705 1.00 1.00 H new ATOM 0 HA3 GLY A 61 7.236 3.232 -1.567 1.00 1.00 H new ATOM 916 N PRO A 62 7.744 4.138 0.894 1.00 1.00 N ATOM 917 CA PRO A 62 8.087 4.164 2.299 1.00 1.00 C ATOM 918 C PRO A 62 8.391 2.752 2.777 1.00 1.00 C ATOM 919 O PRO A 62 7.623 1.842 2.469 1.00 1.00 O ATOM 920 CB PRO A 62 6.847 4.722 2.994 1.00 1.00 C ATOM 921 CG PRO A 62 5.705 4.131 2.080 1.00 1.00 C ATOM 922 CD PRO A 62 6.322 4.316 0.696 1.00 1.00 C ATOM 0 HA PRO A 62 8.970 4.768 2.509 1.00 1.00 H new ATOM 0 HB2 PRO A 62 6.765 4.385 4.027 1.00 1.00 H new ATOM 0 HB3 PRO A 62 6.839 5.812 3.013 1.00 1.00 H new ATOM 0 HG2 PRO A 62 5.497 3.085 2.303 1.00 1.00 H new ATOM 0 HG3 PRO A 62 4.766 4.673 2.190 1.00 1.00 H new ATOM 0 HD2 PRO A 62 5.928 3.588 -0.013 1.00 1.00 H new ATOM 0 HD3 PRO A 62 6.100 5.304 0.294 1.00 1.00 H new ATOM 930 N THR A 63 9.486 2.594 3.506 1.00 1.00 N ATOM 931 CA THR A 63 9.868 1.286 4.010 1.00 1.00 C ATOM 932 C THR A 63 10.245 1.373 5.490 1.00 1.00 C ATOM 933 O THR A 63 11.006 0.547 5.991 1.00 1.00 O ATOM 934 CB THR A 63 10.997 0.750 3.127 1.00 1.00 C ATOM 935 OG1 THR A 63 11.703 1.918 2.718 1.00 1.00 O ATOM 936 CG2 THR A 63 10.481 0.149 1.817 1.00 1.00 C ATOM 0 H THR A 63 10.121 3.351 3.760 1.00 1.00 H new ATOM 0 HA THR A 63 9.035 0.585 3.960 1.00 1.00 H new ATOM 0 HB THR A 63 11.560 -0.005 3.676 1.00 1.00 H new ATOM 0 HG1 THR A 63 12.454 1.662 2.143 1.00 1.00 H new ATOM 0 HG21 THR A 63 11.322 -0.216 1.228 1.00 1.00 H new ATOM 0 HG22 THR A 63 9.806 -0.678 2.037 1.00 1.00 H new ATOM 0 HG23 THR A 63 9.947 0.913 1.252 1.00 1.00 H new ATOM 944 N LYS A 64 9.693 2.382 6.149 1.00 1.00 N ATOM 945 CA LYS A 64 9.962 2.589 7.562 1.00 1.00 C ATOM 946 C LYS A 64 8.638 2.781 8.305 1.00 1.00 C ATOM 947 O LYS A 64 7.650 3.219 7.718 1.00 1.00 O ATOM 948 CB LYS A 64 10.950 3.741 7.757 1.00 1.00 C ATOM 949 CG LYS A 64 12.208 3.267 8.487 1.00 1.00 C ATOM 950 CD LYS A 64 12.855 2.089 7.756 1.00 1.00 C ATOM 951 CE LYS A 64 14.375 2.256 7.685 1.00 1.00 C ATOM 952 NZ LYS A 64 15.053 1.073 8.261 1.00 1.00 N ATOM 0 H LYS A 64 9.061 3.065 5.731 1.00 1.00 H new ATOM 0 HA LYS A 64 10.445 1.711 7.991 1.00 1.00 H new ATOM 0 HB2 LYS A 64 11.223 4.158 6.788 1.00 1.00 H new ATOM 0 HB3 LYS A 64 10.475 4.540 8.326 1.00 1.00 H new ATOM 0 HG2 LYS A 64 12.920 4.089 8.562 1.00 1.00 H new ATOM 0 HG3 LYS A 64 11.953 2.972 9.505 1.00 1.00 H new ATOM 0 HD2 LYS A 64 12.611 1.159 8.270 1.00 1.00 H new ATOM 0 HD3 LYS A 64 12.446 2.013 6.748 1.00 1.00 H new ATOM 0 HE2 LYS A 64 14.684 2.391 6.649 1.00 1.00 H new ATOM 0 HE3 LYS A 64 14.674 3.154 8.226 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 16.083 1.202 8.205 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 14.771 0.962 9.256 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 14.781 0.223 7.727 1.00 1.00 H new ATOM 965 N CYS A 65 8.662 2.445 9.587 1.00 1.00 N ATOM 966 CA CYS A 65 7.476 2.575 10.416 1.00 1.00 C ATOM 967 C CYS A 65 7.024 4.037 10.383 1.00 1.00 C ATOM 968 O CYS A 65 5.832 4.320 10.282 1.00 1.00 O ATOM 969 CB CYS A 65 7.728 2.088 11.844 1.00 1.00 C ATOM 970 SG CYS A 65 8.810 0.618 11.974 1.00 1.00 S ATOM 0 H CYS A 65 9.484 2.083 10.071 1.00 1.00 H new ATOM 0 HA CYS A 65 6.682 1.941 10.021 1.00 1.00 H new ATOM 0 HB2 CYS A 65 8.173 2.901 12.417 1.00 1.00 H new ATOM 0 HB3 CYS A 65 6.769 1.858 12.309 1.00 1.00 H new ATOM 975 N GLY A 66 8.002 4.927 10.470 1.00 1.00 N ATOM 976 CA GLY A 66 7.720 6.352 10.451 1.00 1.00 C ATOM 977 C GLY A 66 7.667 6.882 9.016 1.00 1.00 C ATOM 978 O GLY A 66 7.732 8.090 8.794 1.00 1.00 O ATOM 0 H GLY A 66 8.990 4.689 10.554 1.00 1.00 H new ATOM 0 HA2 GLY A 66 6.770 6.545 10.949 1.00 1.00 H new ATOM 0 HA3 GLY A 66 8.488 6.886 11.011 1.00 1.00 H new ATOM 982 N GLU A 67 7.549 5.951 8.080 1.00 1.00 N ATOM 983 CA GLU A 67 7.487 6.309 6.673 1.00 1.00 C ATOM 984 C GLU A 67 6.131 5.913 6.085 1.00 1.00 C ATOM 985 O GLU A 67 5.862 6.166 4.912 1.00 1.00 O ATOM 986 CB GLU A 67 8.633 5.664 5.892 1.00 1.00 C ATOM 987 CG GLU A 67 9.720 6.689 5.566 1.00 1.00 C ATOM 988 CD GLU A 67 10.835 6.060 4.728 1.00 1.00 C ATOM 989 OE1 GLU A 67 10.575 5.131 3.948 1.00 1.00 O ATOM 990 OE2 GLU A 67 12.006 6.569 4.908 1.00 1.00 O ATOM 0 H GLU A 67 7.495 4.950 8.268 1.00 1.00 H new ATOM 0 HA GLU A 67 7.597 7.390 6.587 1.00 1.00 H new ATOM 0 HB2 GLU A 67 9.061 4.848 6.475 1.00 1.00 H new ATOM 0 HB3 GLU A 67 8.249 5.230 4.969 1.00 1.00 H new ATOM 0 HG2 GLU A 67 9.283 7.528 5.025 1.00 1.00 H new ATOM 0 HG3 GLU A 67 10.137 7.089 6.491 1.00 1.00 H new ATOM 998 N CYS A 68 5.312 5.300 6.928 1.00 1.00 N ATOM 999 CA CYS A 68 3.991 4.867 6.506 1.00 1.00 C ATOM 1000 C CYS A 68 2.974 5.347 7.544 1.00 1.00 C ATOM 1001 O CYS A 68 2.068 6.114 7.222 1.00 1.00 O ATOM 1002 CB CYS A 68 3.930 3.352 6.305 1.00 1.00 C ATOM 1003 SG CYS A 68 3.827 2.961 4.520 1.00 1.00 S ATOM 0 H CYS A 68 5.538 5.093 7.901 1.00 1.00 H new ATOM 0 HA CYS A 68 3.754 5.306 5.537 1.00 1.00 H new ATOM 0 HB2 CYS A 68 4.814 2.884 6.738 1.00 1.00 H new ATOM 0 HB3 CYS A 68 3.065 2.942 6.826 1.00 1.00 H new ATOM 1008 N HIS A 69 3.159 4.876 8.768 1.00 1.00 N ATOM 1009 CA HIS A 69 2.270 5.247 9.855 1.00 1.00 C ATOM 1010 C HIS A 69 2.544 6.693 10.272 1.00 1.00 C ATOM 1011 O HIS A 69 3.570 6.982 10.886 1.00 1.00 O ATOM 1012 CB HIS A 69 2.393 4.261 11.019 1.00 1.00 C ATOM 1013 CG HIS A 69 2.020 2.842 10.663 1.00 1.00 C ATOM 1014 ND1 HIS A 69 0.709 2.432 10.489 1.00 1.00 N ATOM 1015 CD2 HIS A 69 2.798 1.742 10.450 1.00 1.00 C ATOM 1016 CE1 HIS A 69 0.711 1.142 10.186 1.00 1.00 C ATOM 1017 NE2 HIS A 69 2.007 0.716 10.163 1.00 1.00 N ATOM 0 H HIS A 69 3.912 4.240 9.031 1.00 1.00 H new ATOM 0 HA HIS A 69 1.235 5.193 9.517 1.00 1.00 H new ATOM 0 HB2 HIS A 69 3.419 4.275 11.387 1.00 1.00 H new ATOM 0 HB3 HIS A 69 1.757 4.599 11.837 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -0.118 3.023 10.579 1.00 1.00 H new ATOM 0 HD2 HIS A 69 3.876 1.711 10.506 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -0.160 0.534 9.991 1.00 1.00 H new ATOM 1025 N LYS A 70 1.609 7.564 9.922 1.00 1.00 N ATOM 1026 CA LYS A 70 1.737 8.973 10.252 1.00 1.00 C ATOM 1027 C LYS A 70 0.343 9.586 10.401 1.00 1.00 C ATOM 1028 O LYS A 70 -0.426 9.629 9.442 1.00 1.00 O ATOM 1029 CB LYS A 70 2.615 9.687 9.222 1.00 1.00 C ATOM 1030 CG LYS A 70 2.712 11.183 9.527 1.00 1.00 C ATOM 1031 CD LYS A 70 3.649 11.443 10.708 1.00 1.00 C ATOM 1032 CE LYS A 70 5.069 11.748 10.224 1.00 1.00 C ATOM 1033 NZ LYS A 70 5.567 12.999 10.838 1.00 1.00 N ATOM 0 H LYS A 70 0.759 7.321 9.413 1.00 1.00 H new ATOM 0 HA LYS A 70 2.244 9.095 11.209 1.00 1.00 H new ATOM 0 HB2 LYS A 70 3.612 9.247 9.222 1.00 1.00 H new ATOM 0 HB3 LYS A 70 2.202 9.542 8.224 1.00 1.00 H new ATOM 0 HG2 LYS A 70 3.075 11.714 8.647 1.00 1.00 H new ATOM 0 HG3 LYS A 70 1.721 11.577 9.751 1.00 1.00 H new ATOM 0 HD2 LYS A 70 3.274 12.280 11.297 1.00 1.00 H new ATOM 0 HD3 LYS A 70 3.663 10.573 11.364 1.00 1.00 H new ATOM 0 HE2 LYS A 70 5.732 10.921 10.479 1.00 1.00 H new ATOM 0 HE3 LYS A 70 5.078 11.840 9.138 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 6.531 13.192 10.500 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 4.943 13.788 10.574 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 5.577 12.898 11.873 1.00 1.00 H new ATOM 1046 N LYS A 71 0.060 10.046 11.611 1.00 1.00 N ATOM 1047 CA LYS A 71 -1.227 10.655 11.898 1.00 1.00 C ATOM 1048 C LYS A 71 -1.490 11.779 10.894 1.00 1.00 C ATOM 1049 O LYS A 71 -2.453 11.722 10.131 1.00 1.00 O ATOM 1050 CB LYS A 71 -1.293 11.106 13.359 1.00 1.00 C ATOM 1051 CG LYS A 71 -2.741 11.181 13.845 1.00 1.00 C ATOM 1052 CD LYS A 71 -3.059 12.566 14.413 1.00 1.00 C ATOM 1053 CE LYS A 71 -3.370 12.487 15.908 1.00 1.00 C ATOM 1054 NZ LYS A 71 -2.221 12.976 16.704 1.00 1.00 N ATOM 0 H LYS A 71 0.701 10.009 12.404 1.00 1.00 H new ATOM 0 HA LYS A 71 -2.029 9.926 11.778 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -0.732 10.411 13.983 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -0.820 12.082 13.464 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -3.417 10.959 13.019 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -2.911 10.423 14.609 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -2.213 13.233 14.249 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -3.910 12.994 13.883 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -4.255 13.082 16.133 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -3.599 11.458 16.184 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -2.449 12.915 17.717 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -1.385 12.391 16.502 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -2.021 13.965 16.453 1.00 1.00 H new TER 1067 LYS A 71 HETATM 1068 CHA HEM A 101 -9.060 -0.786 -3.947 1.00 1.00 C HETATM 1069 CHB HEM A 101 -9.242 -0.125 -8.769 1.00 1.00 C HETATM 1070 CHC HEM A 101 -4.382 0.167 -8.925 1.00 1.00 C HETATM 1071 CHD HEM A 101 -4.195 -0.938 -4.117 1.00 1.00 C HETATM 1072 C1A HEM A 101 -9.517 -0.669 -5.255 1.00 1.00 C HETATM 1073 C2A HEM A 101 -10.897 -0.825 -5.650 1.00 1.00 C HETATM 1074 C3A HEM A 101 -10.951 -0.643 -6.986 1.00 1.00 C HETATM 1075 C4A HEM A 101 -9.605 -0.372 -7.433 1.00 1.00 C HETATM 1076 CMA HEM A 101 -12.156 -0.701 -7.879 1.00 1.00 C HETATM 1077 CAA HEM A 101 -12.029 -1.133 -4.713 1.00 1.00 C HETATM 1078 CBA HEM A 101 -11.758 -2.308 -3.778 1.00 1.00 C HETATM 1079 CGA HEM A 101 -11.803 -1.869 -2.321 1.00 1.00 C HETATM 1080 O1A HEM A 101 -12.568 -0.923 -2.036 1.00 1.00 O HETATM 1081 O2A HEM A 101 -11.070 -2.489 -1.519 1.00 1.00 O HETATM 1082 C1B HEM A 101 -7.935 0.057 -9.211 1.00 1.00 C HETATM 1083 C2B HEM A 101 -7.579 0.428 -10.560 1.00 1.00 C HETATM 1084 C3B HEM A 101 -6.232 0.509 -10.607 1.00 1.00 C HETATM 1085 C4B HEM A 101 -5.742 0.191 -9.287 1.00 1.00 C HETATM 1086 CMB HEM A 101 -8.558 0.667 -11.672 1.00 1.00 C HETATM 1087 CAB HEM A 101 -5.368 0.861 -11.783 1.00 1.00 C HETATM 1088 CBB HEM A 101 -5.931 1.979 -12.655 1.00 1.00 C HETATM 1089 C1C HEM A 101 -3.877 -0.156 -7.581 1.00 1.00 C HETATM 1090 C2C HEM A 101 -2.487 -0.319 -7.224 1.00 1.00 C HETATM 1091 C3C HEM A 101 -2.448 -0.624 -5.910 1.00 1.00 C HETATM 1092 C4C HEM A 101 -3.813 -0.654 -5.440 1.00 1.00 C HETATM 1093 CMC HEM A 101 -1.333 -0.166 -8.172 1.00 1.00 C HETATM 1094 CAC HEM A 101 -1.241 -0.891 -5.059 1.00 1.00 C HETATM 1095 CBC HEM A 101 -0.072 0.053 -5.327 1.00 1.00 C HETATM 1096 C1D HEM A 101 -5.510 -0.967 -3.664 1.00 1.00 C HETATM 1097 C2D HEM A 101 -5.890 -1.191 -2.289 1.00 1.00 C HETATM 1098 C3D HEM A 101 -7.239 -1.149 -2.239 1.00 1.00 C HETATM 1099 C4D HEM A 101 -7.706 -0.900 -3.582 1.00 1.00 C HETATM 1100 CMD HEM A 101 -4.930 -1.422 -1.159 1.00 1.00 C HETATM 1101 CAD HEM A 101 -8.124 -1.324 -1.039 1.00 1.00 C HETATM 1102 CBD HEM A 101 -7.795 -2.553 -0.198 1.00 1.00 C HETATM 1103 CGD HEM A 101 -7.114 -2.159 1.105 1.00 1.00 C HETATM 1104 O1D HEM A 101 -7.668 -1.272 1.789 1.00 1.00 O HETATM 1105 O2D HEM A 101 -6.052 -2.753 1.392 1.00 1.00 O HETATM 1106 NA HEM A 101 -8.730 -0.391 -6.360 1.00 1.00 N HETATM 1107 NB HEM A 101 -6.797 -0.086 -8.436 1.00 1.00 N HETATM 1108 NC HEM A 101 -4.684 -0.364 -6.477 1.00 1.00 N HETATM 1109 ND HEM A 101 -6.635 -0.789 -4.451 1.00 1.00 N HETATM 1110 FE HEM A 101 -6.554 -0.457 -6.506 1.00 1.00 FE HETATM 0 HMA1 HEM A 101 -12.012 -0.033 -8.728 1.00 1.00 H new HETATM 0 HMA2 HEM A 101 -13.039 -0.392 -7.319 1.00 1.00 H new HETATM 0 HMA3 HEM A 101 -12.293 -1.721 -8.239 1.00 1.00 H new HETATM 0 HMB1 HEM A 101 -9.442 0.049 -11.517 1.00 1.00 H new HETATM 0 HMB2 HEM A 101 -8.096 0.408 -12.625 1.00 1.00 H new HETATM 0 HMB3 HEM A 101 -8.847 1.718 -11.682 1.00 1.00 H new HETATM 0 HMC1 HEM A 101 -1.649 -0.443 -9.178 1.00 1.00 H new HETATM 0 HMC2 HEM A 101 -0.515 -0.814 -7.857 1.00 1.00 H new HETATM 0 HMC3 HEM A 101 -0.996 0.870 -8.170 1.00 1.00 H new HETATM 0 HMD1 HEM A 101 -5.362 -1.045 -0.232 1.00 1.00 H new HETATM 0 HMD2 HEM A 101 -3.995 -0.899 -1.363 1.00 1.00 H new HETATM 0 HMD3 HEM A 101 -4.734 -2.490 -1.060 1.00 1.00 H new HETATM 0 HBB1 HEM A 101 -5.382 2.312 -13.536 1.00 1.00 H new HETATM 0 HBB2 HEM A 101 -6.882 2.445 -12.397 1.00 1.00 H new HETATM 0 HBC1 HEM A 101 0.855 -0.053 -4.763 1.00 1.00 H new HETATM 0 HBC2 HEM A 101 -0.164 0.834 -6.082 1.00 1.00 H new HETATM 0 HBA1 HEM A 101 -10.782 -2.738 -4.002 1.00 1.00 H new HETATM 0 HBA2 HEM A 101 -12.497 -3.091 -3.948 1.00 1.00 H new HETATM 0 HAA1 HEM A 101 -12.924 -1.346 -5.298 1.00 1.00 H new HETATM 0 HAA2 HEM A 101 -12.243 -0.247 -4.115 1.00 1.00 H new HETATM 0 HBD1 HEM A 101 -7.146 -3.221 -0.764 1.00 1.00 H new HETATM 0 HBD2 HEM A 101 -8.710 -3.105 0.019 1.00 1.00 H new HETATM 0 HAD1 HEM A 101 -9.160 -1.391 -1.371 1.00 1.00 H new HETATM 0 HAD2 HEM A 101 -8.047 -0.436 -0.411 1.00 1.00 H new HETATM 0 HHA HEM A 101 -9.796 -0.790 -3.156 1.00 1.00 H new HETATM 0 HHB HEM A 101 -10.032 -0.073 -9.503 1.00 1.00 H new HETATM 0 HHC HEM A 101 -3.656 0.403 -9.689 1.00 1.00 H new HETATM 0 HHD HEM A 101 -3.413 -1.148 -3.403 1.00 1.00 H new HETATM 0 HAB HEM A 101 -4.422 0.362 -11.995 1.00 1.00 H new HETATM 0 HAC HEM A 101 -1.203 -1.688 -4.316 1.00 1.00 H new HETATM 1111 CHA HEM A 102 5.329 5.503 -2.613 1.00 1.00 C HETATM 1112 CHB HEM A 102 2.066 3.662 0.500 1.00 1.00 C HETATM 1113 CHC HEM A 102 1.828 -0.417 -2.152 1.00 1.00 C HETATM 1114 CHD HEM A 102 5.193 1.401 -5.236 1.00 1.00 C HETATM 1115 C1A HEM A 102 4.432 5.359 -1.559 1.00 1.00 C HETATM 1116 C2A HEM A 102 4.129 6.398 -0.604 1.00 1.00 C HETATM 1117 C3A HEM A 102 3.225 5.891 0.260 1.00 1.00 C HETATM 1118 C4A HEM A 102 2.960 4.532 -0.151 1.00 1.00 C HETATM 1119 CMA HEM A 102 2.589 6.571 1.438 1.00 1.00 C HETATM 1120 CAA HEM A 102 4.731 7.773 -0.610 1.00 1.00 C HETATM 1121 CBA HEM A 102 4.806 8.412 -1.994 1.00 1.00 C HETATM 1122 CGA HEM A 102 4.025 9.717 -2.037 1.00 1.00 C HETATM 1123 O1A HEM A 102 2.825 9.673 -1.690 1.00 1.00 O HETATM 1124 O2A HEM A 102 4.642 10.736 -2.417 1.00 1.00 O HETATM 1125 C1B HEM A 102 1.726 2.394 0.041 1.00 1.00 C HETATM 1126 C2B HEM A 102 0.782 1.519 0.697 1.00 1.00 C HETATM 1127 C3B HEM A 102 0.714 0.388 -0.036 1.00 1.00 C HETATM 1128 C4B HEM A 102 1.614 0.550 -1.153 1.00 1.00 C HETATM 1129 CMB HEM A 102 0.039 1.850 1.958 1.00 1.00 C HETATM 1130 CAB HEM A 102 -0.123 -0.831 0.223 1.00 1.00 C HETATM 1131 CBB HEM A 102 -1.536 -0.522 0.708 1.00 1.00 C HETATM 1132 C1C HEM A 102 2.737 -0.288 -3.278 1.00 1.00 C HETATM 1133 C2C HEM A 102 3.066 -1.323 -4.230 1.00 1.00 C HETATM 1134 C3C HEM A 102 4.006 -0.818 -5.056 1.00 1.00 C HETATM 1135 C4C HEM A 102 4.268 0.534 -4.625 1.00 1.00 C HETATM 1136 CMC HEM A 102 2.450 -2.692 -4.256 1.00 1.00 C HETATM 1137 CAC HEM A 102 4.677 -1.496 -6.215 1.00 1.00 C HETATM 1138 CBC HEM A 102 3.919 -2.708 -6.749 1.00 1.00 C HETATM 1139 C1D HEM A 102 5.449 2.703 -4.819 1.00 1.00 C HETATM 1140 C2D HEM A 102 6.193 3.671 -5.590 1.00 1.00 C HETATM 1141 C3D HEM A 102 6.232 4.809 -4.865 1.00 1.00 C HETATM 1142 C4D HEM A 102 5.513 4.557 -3.639 1.00 1.00 C HETATM 1143 CMD HEM A 102 6.792 3.415 -6.941 1.00 1.00 C HETATM 1144 CAD HEM A 102 6.886 6.112 -5.225 1.00 1.00 C HETATM 1145 CBD HEM A 102 6.528 6.622 -6.618 1.00 1.00 C HETATM 1146 CGD HEM A 102 7.527 6.129 -7.655 1.00 1.00 C HETATM 1147 O1D HEM A 102 8.740 6.274 -7.389 1.00 1.00 O HETATM 1148 O2D HEM A 102 7.059 5.616 -8.695 1.00 1.00 O HETATM 1149 NA HEM A 102 3.707 4.215 -1.271 1.00 1.00 N HETATM 1150 NB HEM A 102 2.232 1.788 -1.096 1.00 1.00 N HETATM 1151 NC HEM A 102 3.483 0.850 -3.530 1.00 1.00 N HETATM 1152 ND HEM A 102 5.035 3.258 -3.620 1.00 1.00 N HETATM 1153 FE HEM A 102 3.737 2.520 -2.437 1.00 1.00 FE HETATM 0 HMA1 HEM A 102 3.278 7.310 1.847 1.00 1.00 H new HETATM 0 HMA2 HEM A 102 2.355 5.831 2.203 1.00 1.00 H new HETATM 0 HMA3 HEM A 102 1.672 7.067 1.120 1.00 1.00 H new HETATM 0 HMB1 HEM A 102 -0.924 1.340 1.957 1.00 1.00 H new HETATM 0 HMB2 HEM A 102 -0.121 2.927 2.014 1.00 1.00 H new HETATM 0 HMB3 HEM A 102 0.622 1.524 2.820 1.00 1.00 H new HETATM 0 HMC1 HEM A 102 2.433 -3.064 -5.280 1.00 1.00 H new HETATM 0 HMC2 HEM A 102 1.431 -2.640 -3.872 1.00 1.00 H new HETATM 0 HMC3 HEM A 102 3.038 -3.367 -3.634 1.00 1.00 H new HETATM 0 HMD1 HEM A 102 7.062 2.362 -7.026 1.00 1.00 H new HETATM 0 HMD2 HEM A 102 7.684 4.029 -7.066 1.00 1.00 H new HETATM 0 HMD3 HEM A 102 6.067 3.667 -7.714 1.00 1.00 H new HETATM 0 HBB1 HEM A 102 -2.228 -1.336 0.926 1.00 1.00 H new HETATM 0 HBB2 HEM A 102 -1.854 0.513 0.837 1.00 1.00 H new HETATM 0 HBC1 HEM A 102 4.319 -3.274 -7.590 1.00 1.00 H new HETATM 0 HBC2 HEM A 102 2.977 -3.008 -6.289 1.00 1.00 H new HETATM 0 HBA1 HEM A 102 4.409 7.722 -2.739 1.00 1.00 H new HETATM 0 HBA2 HEM A 102 5.847 8.599 -2.256 1.00 1.00 H new HETATM 0 HAA1 HEM A 102 5.736 7.720 -0.190 1.00 1.00 H new HETATM 0 HAA2 HEM A 102 4.145 8.418 0.045 1.00 1.00 H new HETATM 0 HBD1 HEM A 102 6.509 7.712 -6.616 1.00 1.00 H new HETATM 0 HBD2 HEM A 102 5.526 6.286 -6.885 1.00 1.00 H new HETATM 0 HAD1 HEM A 102 7.968 5.994 -5.159 1.00 1.00 H new HETATM 0 HAD2 HEM A 102 6.602 6.865 -4.490 1.00 1.00 H new HETATM 0 HHA HEM A 102 5.925 6.403 -2.646 1.00 1.00 H new HETATM 0 HHB HEM A 102 1.613 4.002 1.419 1.00 1.00 H new HETATM 0 HHC HEM A 102 1.267 -1.337 -2.075 1.00 1.00 H new HETATM 0 HHD HEM A 102 5.742 1.029 -6.088 1.00 1.00 H new HETATM 0 HAB HEM A 102 0.246 -1.846 0.078 1.00 1.00 H new HETATM 0 HAC HEM A 102 5.621 -1.153 -6.638 1.00 1.00 H new HETATM 1154 CHA HEM A 103 -0.727 -2.115 10.336 1.00 1.00 C HETATM 1155 CHB HEM A 103 3.340 -1.714 12.987 1.00 1.00 C HETATM 1156 CHC HEM A 103 5.800 -0.248 9.047 1.00 1.00 C HETATM 1157 CHD HEM A 103 1.554 -0.159 6.502 1.00 1.00 C HETATM 1158 C1A HEM A 103 0.171 -2.107 11.398 1.00 1.00 C HETATM 1159 C2A HEM A 103 -0.184 -2.415 12.763 1.00 1.00 C HETATM 1160 C3A HEM A 103 0.941 -2.304 13.501 1.00 1.00 C HETATM 1161 C4A HEM A 103 2.004 -1.928 12.599 1.00 1.00 C HETATM 1162 CMA HEM A 103 1.103 -2.522 14.977 1.00 1.00 C HETATM 1163 CAA HEM A 103 -1.562 -2.783 13.230 1.00 1.00 C HETATM 1164 CBA HEM A 103 -2.472 -1.585 13.487 1.00 1.00 C HETATM 1165 CGA HEM A 103 -3.094 -1.657 14.874 1.00 1.00 C HETATM 1166 O1A HEM A 103 -4.310 -1.383 14.965 1.00 1.00 O HETATM 1167 O2A HEM A 103 -2.342 -1.984 15.817 1.00 1.00 O HETATM 1168 C1B HEM A 103 4.366 -1.361 12.117 1.00 1.00 C HETATM 1169 C2B HEM A 103 5.768 -1.390 12.461 1.00 1.00 C HETATM 1170 C3B HEM A 103 6.453 -0.984 11.371 1.00 1.00 C HETATM 1171 C4B HEM A 103 5.482 -0.699 10.341 1.00 1.00 C HETATM 1172 CMB HEM A 103 6.316 -1.802 13.796 1.00 1.00 C HETATM 1173 CAB HEM A 103 7.939 -0.841 11.214 1.00 1.00 C HETATM 1174 CBB HEM A 103 8.727 -2.090 11.597 1.00 1.00 C HETATM 1175 C1C HEM A 103 4.818 -0.094 7.938 1.00 1.00 C HETATM 1176 C2C HEM A 103 5.080 0.547 6.671 1.00 1.00 C HETATM 1177 C3C HEM A 103 3.910 0.595 6.001 1.00 1.00 C HETATM 1178 C4C HEM A 103 2.911 -0.016 6.846 1.00 1.00 C HETATM 1179 CMC HEM A 103 6.422 1.050 6.224 1.00 1.00 C HETATM 1180 CAC HEM A 103 3.649 1.164 4.636 1.00 1.00 C HETATM 1181 CBC HEM A 103 4.576 0.625 3.551 1.00 1.00 C HETATM 1182 C1D HEM A 103 0.590 -0.736 7.322 1.00 1.00 C HETATM 1183 C2D HEM A 103 -0.754 -1.050 6.897 1.00 1.00 C HETATM 1184 C3D HEM A 103 -1.389 -1.592 7.957 1.00 1.00 C HETATM 1185 C4D HEM A 103 -0.445 -1.619 9.050 1.00 1.00 C HETATM 1186 CMD HEM A 103 -1.299 -0.802 5.521 1.00 1.00 C HETATM 1187 CAD HEM A 103 -2.804 -2.087 8.033 1.00 1.00 C HETATM 1188 CBD HEM A 103 -3.135 -3.179 7.020 1.00 1.00 C HETATM 1189 CGD HEM A 103 -4.327 -2.784 6.160 1.00 1.00 C HETATM 1190 O1D HEM A 103 -4.384 -1.595 5.780 1.00 1.00 O HETATM 1191 O2D HEM A 103 -5.159 -3.680 5.897 1.00 1.00 O HETATM 1192 NA HEM A 103 1.520 -1.809 11.308 1.00 1.00 N HETATM 1193 NB HEM A 103 4.201 -0.934 10.810 1.00 1.00 N HETATM 1194 NC HEM A 103 3.481 -0.436 8.035 1.00 1.00 N HETATM 1195 ND HEM A 103 0.769 -1.090 8.648 1.00 1.00 N HETATM 1196 FE HEM A 103 2.556 -0.971 9.671 1.00 1.00 FE HETATM 0 HMA1 HEM A 103 0.172 -2.271 15.486 1.00 1.00 H new HETATM 0 HMA2 HEM A 103 1.905 -1.886 15.353 1.00 1.00 H new HETATM 0 HMA3 HEM A 103 1.350 -3.567 15.166 1.00 1.00 H new HETATM 0 HMB1 HEM A 103 5.592 -1.564 14.576 1.00 1.00 H new HETATM 0 HMB2 HEM A 103 7.246 -1.267 13.989 1.00 1.00 H new HETATM 0 HMB3 HEM A 103 6.509 -2.875 13.795 1.00 1.00 H new HETATM 0 HMC1 HEM A 103 7.004 1.356 7.093 1.00 1.00 H new HETATM 0 HMC2 HEM A 103 6.288 1.903 5.559 1.00 1.00 H new HETATM 0 HMC3 HEM A 103 6.950 0.257 5.695 1.00 1.00 H new HETATM 0 HMD1 HEM A 103 -2.060 -1.548 5.291 1.00 1.00 H new HETATM 0 HMD2 HEM A 103 -0.492 -0.871 4.792 1.00 1.00 H new HETATM 0 HMD3 HEM A 103 -1.742 0.193 5.479 1.00 1.00 H new HETATM 0 HBB1 HEM A 103 9.814 -2.093 11.520 1.00 1.00 H new HETATM 0 HBB2 HEM A 103 8.203 -2.979 11.947 1.00 1.00 H new HETATM 0 HBC1 HEM A 103 4.472 0.973 2.523 1.00 1.00 H new HETATM 0 HBC2 HEM A 103 5.342 -0.108 3.804 1.00 1.00 H new HETATM 0 HBA1 HEM A 103 -3.259 -1.554 12.733 1.00 1.00 H new HETATM 0 HBA2 HEM A 103 -1.900 -0.662 13.389 1.00 1.00 H new HETATM 0 HAA1 HEM A 103 -1.480 -3.367 14.147 1.00 1.00 H new HETATM 0 HAA2 HEM A 103 -2.028 -3.426 12.483 1.00 1.00 H new HETATM 0 HBD1 HEM A 103 -3.352 -4.111 7.542 1.00 1.00 H new HETATM 0 HBD2 HEM A 103 -2.269 -3.364 6.384 1.00 1.00 H new HETATM 0 HAD1 HEM A 103 -3.481 -1.246 7.880 1.00 1.00 H new HETATM 0 HAD2 HEM A 103 -2.991 -2.468 9.037 1.00 1.00 H new HETATM 0 HHA HEM A 103 -1.708 -2.531 10.511 1.00 1.00 H new HETATM 0 HHB HEM A 103 3.585 -1.832 14.032 1.00 1.00 H new HETATM 0 HHC HEM A 103 6.830 0.005 8.843 1.00 1.00 H new HETATM 0 HHD HEM A 103 1.239 0.204 5.535 1.00 1.00 H new HETATM 0 HAB HEM A 103 8.413 0.074 10.858 1.00 1.00 H new HETATM 0 HAC HEM A 103 2.867 1.897 4.438 1.00 1.00 H new