USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=9 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 21 GLN : amide:sc= -11.5! C(o=-13!,f=-14!) USER MOD Set 1.2: A 101 HEM CMB :methyl -30:sc= -1.55 (180deg=-4.51!) USER MOD Set 2.1: A 10 ASN : amide:sc= -3.88! C(o=-4.1!,f=-6.4!) USER MOD Set 2.2: A 103 HEM CMA :methyl 150:sc= -0.187 (180deg=-0.136) USER MOD Single : A 1 ALA N :NH3+ 137:sc= 0.0763 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -123:sc= -0.43 (180deg=-1.85!) 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 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 -135:sc= -0.538 (180deg=-1.35) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HEM CMA :methyl -30:sc= -0.185 (180deg=-0.313) USER MOD Single : A 101 HEM CMC :methyl -30:sc= -4.72! (180deg=-7.45!) USER MOD Single : A 101 HEM CMD :methyl 150:sc= -3.25! (180deg=-3.25!) USER MOD Single : A 102 HEM CMA :methyl 150:sc= -0.495 (180deg=-0.495) USER MOD Single : A 102 HEM CMB :methyl 150:sc= -6.23! (180deg=-6.23!) USER MOD Single : A 102 HEM CMC :methyl 150:sc= -12.5! (180deg=-12.5!) USER MOD Single : A 102 HEM CMD :methyl 150:sc= -0.448 (180deg=-0.448) USER MOD Single : A 103 HEM CMB :methyl -30:sc= -0.258 (180deg=-1.68) USER MOD Single : A 103 HEM CMC :methyl -30:sc= -4.03! (180deg=-5.83!) USER MOD Single : A 103 HEM CMD :methyl 150:sc= -10.8! (180deg=-10.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.689 10.717 -3.881 1.00 1.00 N ATOM 2 CA ALA A 1 -11.249 10.753 -3.690 1.00 1.00 C ATOM 3 C ALA A 1 -10.690 9.332 -3.786 1.00 1.00 C ATOM 4 O ALA A 1 -11.371 8.369 -3.438 1.00 1.00 O ATOM 5 CB ALA A 1 -10.929 11.416 -2.349 1.00 1.00 C ATOM 0 H1 ALA A 1 -13.147 11.342 -3.187 1.00 1.00 H new ATOM 0 H2 ALA A 1 -12.920 11.039 -4.843 1.00 1.00 H new ATOM 0 H3 ALA A 1 -13.032 9.744 -3.750 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.773 11.347 -4.470 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -9.849 11.443 -2.205 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -11.322 12.433 -2.343 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -11.388 10.845 -1.542 1.00 1.00 H new ATOM 11 N ASP A 2 -9.455 9.247 -4.259 1.00 1.00 N ATOM 12 CA ASP A 2 -8.797 7.960 -4.405 1.00 1.00 C ATOM 13 C ASP A 2 -8.128 7.581 -3.083 1.00 1.00 C ATOM 14 O ASP A 2 -8.073 6.405 -2.725 1.00 1.00 O ATOM 15 CB ASP A 2 -7.715 8.014 -5.485 1.00 1.00 C ATOM 16 CG ASP A 2 -7.740 6.856 -6.485 1.00 1.00 C ATOM 17 OD1 ASP A 2 -8.222 5.756 -6.176 1.00 1.00 O ATOM 18 OD2 ASP A 2 -7.231 7.122 -7.640 1.00 1.00 O ATOM 0 H ASP A 2 -8.893 10.048 -4.546 1.00 1.00 H new ATOM 0 HA ASP A 2 -9.551 7.226 -4.687 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -7.817 8.950 -6.034 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -6.739 8.034 -5.000 1.00 1.00 H new ATOM 24 N ASP A 3 -7.635 8.599 -2.393 1.00 1.00 N ATOM 25 CA ASP A 3 -6.972 8.388 -1.118 1.00 1.00 C ATOM 26 C ASP A 3 -7.724 7.316 -0.327 1.00 1.00 C ATOM 27 O ASP A 3 -8.871 7.521 0.067 1.00 1.00 O ATOM 28 CB ASP A 3 -6.961 9.670 -0.283 1.00 1.00 C ATOM 29 CG ASP A 3 -6.580 9.482 1.186 1.00 1.00 C ATOM 30 OD1 ASP A 3 -5.726 8.648 1.523 1.00 1.00 O ATOM 31 OD2 ASP A 3 -7.208 10.246 2.015 1.00 1.00 O ATOM 0 H ASP A 3 -7.682 9.573 -2.693 1.00 1.00 H new ATOM 0 HA ASP A 3 -5.946 8.080 -1.320 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -6.264 10.375 -0.736 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -7.950 10.125 -0.331 1.00 1.00 H new ATOM 37 N ILE A 4 -7.048 6.195 -0.119 1.00 1.00 N ATOM 38 CA ILE A 4 -7.639 5.091 0.617 1.00 1.00 C ATOM 39 C ILE A 4 -6.935 4.949 1.967 1.00 1.00 C ATOM 40 O ILE A 4 -5.863 4.351 2.053 1.00 1.00 O ATOM 41 CB ILE A 4 -7.617 3.813 -0.225 1.00 1.00 C ATOM 42 CG1 ILE A 4 -8.848 3.732 -1.131 1.00 1.00 C ATOM 43 CG2 ILE A 4 -7.475 2.575 0.662 1.00 1.00 C ATOM 44 CD1 ILE A 4 -8.854 2.429 -1.932 1.00 1.00 C ATOM 0 H ILE A 4 -6.097 6.028 -0.448 1.00 1.00 H new ATOM 0 HA ILE A 4 -8.690 5.291 0.824 1.00 1.00 H new ATOM 0 HB ILE A 4 -6.742 3.846 -0.874 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -9.753 3.796 -0.527 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -8.859 4.582 -1.813 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -7.462 1.681 0.039 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -6.545 2.637 1.227 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -8.317 2.524 1.353 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -9.739 2.397 -2.567 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -7.959 2.379 -2.553 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -8.868 1.581 -1.247 1.00 1.00 H new ATOM 56 N VAL A 5 -7.565 5.510 2.989 1.00 1.00 N ATOM 57 CA VAL A 5 -7.012 5.454 4.332 1.00 1.00 C ATOM 58 C VAL A 5 -7.293 4.077 4.937 1.00 1.00 C ATOM 59 O VAL A 5 -8.439 3.635 4.977 1.00 1.00 O ATOM 60 CB VAL A 5 -7.568 6.603 5.175 1.00 1.00 C ATOM 61 CG1 VAL A 5 -6.749 6.791 6.454 1.00 1.00 C ATOM 62 CG2 VAL A 5 -7.626 7.899 4.366 1.00 1.00 C ATOM 0 H VAL A 5 -8.453 6.006 2.914 1.00 1.00 H new ATOM 0 HA VAL A 5 -5.930 5.583 4.306 1.00 1.00 H new ATOM 0 HB VAL A 5 -8.586 6.343 5.464 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -7.165 7.614 7.035 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -6.783 5.876 7.045 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -5.715 7.017 6.194 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -8.025 8.699 4.989 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -6.623 8.165 4.032 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -8.272 7.758 3.499 1.00 1.00 H new ATOM 72 N LEU A 6 -6.225 3.438 5.394 1.00 1.00 N ATOM 73 CA LEU A 6 -6.343 2.121 5.995 1.00 1.00 C ATOM 74 C LEU A 6 -6.569 2.270 7.501 1.00 1.00 C ATOM 75 O LEU A 6 -6.470 3.371 8.041 1.00 1.00 O ATOM 76 CB LEU A 6 -5.129 1.259 5.638 1.00 1.00 C ATOM 77 CG LEU A 6 -5.015 0.837 4.172 1.00 1.00 C ATOM 78 CD1 LEU A 6 -3.596 0.364 3.847 1.00 1.00 C ATOM 79 CD2 LEU A 6 -6.065 -0.219 3.822 1.00 1.00 C ATOM 0 H LEU A 6 -5.275 3.808 5.360 1.00 1.00 H new ATOM 0 HA LEU A 6 -7.209 1.595 5.593 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -4.227 1.807 5.909 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -5.153 0.360 6.254 1.00 1.00 H new ATOM 0 HG LEU A 6 -5.215 1.709 3.549 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -3.542 0.070 2.799 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -2.891 1.174 4.033 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -3.344 -0.489 4.477 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -5.962 -0.501 2.774 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -5.921 -1.098 4.451 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.062 0.189 3.991 1.00 1.00 H new ATOM 91 N LYS A 7 -6.869 1.147 8.137 1.00 1.00 N ATOM 92 CA LYS A 7 -7.110 1.140 9.569 1.00 1.00 C ATOM 93 C LYS A 7 -5.816 0.772 10.298 1.00 1.00 C ATOM 94 O LYS A 7 -5.256 -0.300 10.074 1.00 1.00 O ATOM 95 CB LYS A 7 -8.289 0.225 9.909 1.00 1.00 C ATOM 96 CG LYS A 7 -8.073 -1.180 9.344 1.00 1.00 C ATOM 97 CD LYS A 7 -8.644 -2.243 10.285 1.00 1.00 C ATOM 98 CE LYS A 7 -7.666 -2.554 11.420 1.00 1.00 C ATOM 99 NZ LYS A 7 -8.271 -3.503 12.380 1.00 1.00 N ATOM 0 H LYS A 7 -6.951 0.236 7.686 1.00 1.00 H new ATOM 0 HA LYS A 7 -7.398 2.134 9.912 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -8.412 0.171 10.991 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -9.209 0.646 9.504 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -8.550 -1.260 8.367 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -7.008 -1.356 9.194 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -9.590 -1.896 10.700 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -8.857 -3.153 9.724 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -6.748 -2.977 11.011 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -7.392 -1.633 11.934 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -7.594 -3.703 13.144 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -9.134 -3.086 12.783 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -8.511 -4.388 11.889 1.00 1.00 H new ATOM 112 N ALA A 8 -5.379 1.683 11.156 1.00 1.00 N ATOM 113 CA ALA A 8 -4.161 1.467 11.919 1.00 1.00 C ATOM 114 C ALA A 8 -4.073 2.510 13.035 1.00 1.00 C ATOM 115 O ALA A 8 -3.815 3.684 12.774 1.00 1.00 O ATOM 116 CB ALA A 8 -2.954 1.516 10.979 1.00 1.00 C ATOM 0 H ALA A 8 -5.846 2.571 11.339 1.00 1.00 H new ATOM 0 HA ALA A 8 -4.170 0.483 12.387 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -2.040 1.354 11.551 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -3.051 0.738 10.222 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -2.910 2.491 10.494 1.00 1.00 H new ATOM 122 N LYS A 9 -4.293 2.044 14.256 1.00 1.00 N ATOM 123 CA LYS A 9 -4.241 2.921 15.413 1.00 1.00 C ATOM 124 C LYS A 9 -2.797 3.369 15.644 1.00 1.00 C ATOM 125 O LYS A 9 -2.540 4.250 16.463 1.00 1.00 O ATOM 126 CB LYS A 9 -4.877 2.243 16.628 1.00 1.00 C ATOM 127 CG LYS A 9 -6.357 2.612 16.749 1.00 1.00 C ATOM 128 CD LYS A 9 -6.531 3.950 17.471 1.00 1.00 C ATOM 129 CE LYS A 9 -6.326 3.790 18.979 1.00 1.00 C ATOM 130 NZ LYS A 9 -4.945 4.164 19.357 1.00 1.00 N ATOM 0 H LYS A 9 -4.508 1.070 14.469 1.00 1.00 H new ATOM 0 HA LYS A 9 -4.829 3.821 15.235 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -4.774 1.161 16.541 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -4.349 2.541 17.534 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -6.804 2.670 15.756 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -6.887 1.830 17.292 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -5.818 4.675 17.078 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -7.528 4.346 17.276 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -7.039 4.415 19.517 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -6.523 2.758 19.271 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -4.489 3.364 19.841 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -4.404 4.405 18.502 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -4.970 4.986 19.994 1.00 1.00 H new ATOM 143 N ASN A 10 -1.891 2.741 14.908 1.00 1.00 N ATOM 144 CA ASN A 10 -0.479 3.064 15.023 1.00 1.00 C ATOM 145 C ASN A 10 -0.152 4.237 14.098 1.00 1.00 C ATOM 146 O ASN A 10 0.990 4.693 14.048 1.00 1.00 O ATOM 147 CB ASN A 10 0.393 1.877 14.608 1.00 1.00 C ATOM 148 CG ASN A 10 0.137 0.667 15.510 1.00 1.00 C ATOM 149 OD1 ASN A 10 -0.920 0.059 15.491 1.00 1.00 O ATOM 150 ND2 ASN A 10 1.161 0.355 16.298 1.00 1.00 N ATOM 0 H ASN A 10 -2.108 2.010 14.230 1.00 1.00 H new ATOM 0 HA ASN A 10 -0.274 3.316 16.064 1.00 1.00 H new ATOM 0 HB2 ASN A 10 0.185 1.613 13.571 1.00 1.00 H new ATOM 0 HB3 ASN A 10 1.445 2.158 14.660 1.00 1.00 H new ATOM 0 HD21 ASN A 10 1.090 -0.436 16.938 1.00 1.00 H new ATOM 0 HD22 ASN A 10 2.018 0.907 16.263 1.00 1.00 H new ATOM 157 N GLY A 11 -1.173 4.693 13.388 1.00 1.00 N ATOM 158 CA GLY A 11 -1.008 5.805 12.467 1.00 1.00 C ATOM 159 C GLY A 11 -1.510 5.437 11.069 1.00 1.00 C ATOM 160 O GLY A 11 -0.909 4.609 10.387 1.00 1.00 O ATOM 0 H GLY A 11 -2.118 4.313 13.432 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -1.554 6.673 12.837 1.00 1.00 H new ATOM 0 HA3 GLY A 11 0.043 6.088 12.417 1.00 1.00 H new ATOM 164 N ASP A 12 -2.607 6.072 10.683 1.00 1.00 N ATOM 165 CA ASP A 12 -3.197 5.823 9.379 1.00 1.00 C ATOM 166 C ASP A 12 -2.089 5.766 8.325 1.00 1.00 C ATOM 167 O ASP A 12 -1.061 6.428 8.464 1.00 1.00 O ATOM 168 CB ASP A 12 -4.164 6.942 8.988 1.00 1.00 C ATOM 169 CG ASP A 12 -5.647 6.576 9.074 1.00 1.00 C ATOM 170 OD1 ASP A 12 -6.526 7.441 8.951 1.00 1.00 O ATOM 171 OD2 ASP A 12 -5.888 5.325 9.280 1.00 1.00 O ATOM 0 H ASP A 12 -3.103 6.759 11.251 1.00 1.00 H new ATOM 0 HA ASP A 12 -3.740 4.879 9.430 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -3.980 7.802 9.632 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -3.941 7.254 7.968 1.00 1.00 H new ATOM 177 N VAL A 13 -2.335 4.968 7.296 1.00 1.00 N ATOM 178 CA VAL A 13 -1.371 4.817 6.220 1.00 1.00 C ATOM 179 C VAL A 13 -2.001 5.284 4.906 1.00 1.00 C ATOM 180 O VAL A 13 -2.537 4.476 4.149 1.00 1.00 O ATOM 181 CB VAL A 13 -0.873 3.371 6.163 1.00 1.00 C ATOM 182 CG1 VAL A 13 0.203 3.203 5.089 1.00 1.00 C ATOM 183 CG2 VAL A 13 -0.359 2.914 7.530 1.00 1.00 C ATOM 0 H VAL A 13 -3.188 4.420 7.185 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.496 5.442 6.401 1.00 1.00 H new ATOM 0 HB VAL A 13 -1.717 2.737 5.893 1.00 1.00 H new ATOM 0 HG11 VAL A 13 0.539 2.166 5.070 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.210 3.469 4.116 1.00 1.00 H new ATOM 0 HG13 VAL A 13 1.047 3.854 5.315 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -0.011 1.883 7.462 1.00 1.00 H new ATOM 0 HG22 VAL A 13 0.465 3.555 7.842 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -1.165 2.977 8.261 1.00 1.00 H new ATOM 193 N LYS A 14 -1.916 6.586 4.677 1.00 1.00 N ATOM 194 CA LYS A 14 -2.472 7.170 3.468 1.00 1.00 C ATOM 195 C LYS A 14 -1.805 6.534 2.246 1.00 1.00 C ATOM 196 O LYS A 14 -0.605 6.701 2.032 1.00 1.00 O ATOM 197 CB LYS A 14 -2.356 8.695 3.508 1.00 1.00 C ATOM 198 CG LYS A 14 -2.639 9.302 2.132 1.00 1.00 C ATOM 199 CD LYS A 14 -1.596 10.365 1.777 1.00 1.00 C ATOM 200 CE LYS A 14 -2.265 11.702 1.451 1.00 1.00 C ATOM 201 NZ LYS A 14 -1.391 12.828 1.850 1.00 1.00 N ATOM 0 H LYS A 14 -1.471 7.253 5.308 1.00 1.00 H new ATOM 0 HA LYS A 14 -3.538 6.956 3.397 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -3.058 9.098 4.239 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -1.356 8.979 3.836 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -2.635 8.517 1.376 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -3.634 9.747 2.124 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -0.905 10.494 2.610 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -1.007 10.031 0.923 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -2.477 11.759 0.383 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -3.221 11.774 1.970 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -1.859 13.728 1.622 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -1.210 12.781 2.873 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -0.489 12.767 1.335 1.00 1.00 H new ATOM 214 N LEU A 15 -2.612 5.819 1.477 1.00 1.00 N ATOM 215 CA LEU A 15 -2.115 5.157 0.282 1.00 1.00 C ATOM 216 C LEU A 15 -2.644 5.884 -0.956 1.00 1.00 C ATOM 217 O LEU A 15 -3.804 5.756 -1.341 1.00 1.00 O ATOM 218 CB LEU A 15 -2.457 3.666 0.314 1.00 1.00 C ATOM 219 CG LEU A 15 -2.473 2.953 -1.040 1.00 1.00 C ATOM 220 CD1 LEU A 15 -1.095 2.379 -1.373 1.00 1.00 C ATOM 221 CD2 LEU A 15 -3.566 1.883 -1.083 1.00 1.00 C ATOM 0 H LEU A 15 -3.607 5.683 1.658 1.00 1.00 H new ATOM 0 HA LEU A 15 -1.027 5.209 0.242 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -1.737 3.162 0.959 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -3.437 3.548 0.776 1.00 1.00 H new ATOM 0 HG LEU A 15 -2.711 3.687 -1.810 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -1.134 1.878 -2.340 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -0.364 3.187 -1.412 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -0.804 1.663 -0.605 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -3.556 1.391 -2.056 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -3.384 1.145 -0.302 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -4.538 2.349 -0.922 1.00 1.00 H new ATOM 233 N PRO A 16 -1.755 6.661 -1.578 1.00 1.00 N ATOM 234 CA PRO A 16 -2.038 7.436 -2.766 1.00 1.00 C ATOM 235 C PRO A 16 -2.487 6.508 -3.886 1.00 1.00 C ATOM 236 O PRO A 16 -1.779 6.399 -4.886 1.00 1.00 O ATOM 237 CB PRO A 16 -0.716 8.116 -3.115 1.00 1.00 C ATOM 238 CG PRO A 16 0.104 8.082 -1.886 1.00 1.00 C ATOM 239 CD PRO A 16 -0.383 6.834 -1.151 1.00 1.00 C ATOM 0 HA PRO A 16 -2.835 8.164 -2.617 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -0.215 7.596 -3.931 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -0.881 9.142 -3.444 1.00 1.00 H new ATOM 0 HG2 PRO A 16 1.167 8.020 -2.117 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -0.039 8.980 -1.286 1.00 1.00 H new ATOM 0 HD2 PRO A 16 0.223 5.964 -1.406 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -0.319 6.962 -0.070 1.00 1.00 H new ATOM 247 N HIS A 17 -3.632 5.867 -3.703 1.00 1.00 N ATOM 248 CA HIS A 17 -4.149 4.956 -4.710 1.00 1.00 C ATOM 249 C HIS A 17 -3.946 5.561 -6.101 1.00 1.00 C ATOM 250 O HIS A 17 -3.330 4.941 -6.967 1.00 1.00 O ATOM 251 CB HIS A 17 -5.610 4.603 -4.425 1.00 1.00 C ATOM 252 CG HIS A 17 -6.123 3.426 -5.218 1.00 1.00 C ATOM 253 ND1 HIS A 17 -7.029 3.559 -6.256 1.00 1.00 N ATOM 254 CD2 HIS A 17 -5.848 2.094 -5.116 1.00 1.00 C ATOM 255 CE1 HIS A 17 -7.281 2.355 -6.748 1.00 1.00 C ATOM 256 NE2 HIS A 17 -6.548 1.448 -6.040 1.00 1.00 N ATOM 0 H HIS A 17 -4.216 5.961 -2.872 1.00 1.00 H new ATOM 0 HA HIS A 17 -3.596 4.017 -4.675 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -5.720 4.388 -3.362 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -6.232 5.472 -4.641 1.00 1.00 H new ATOM 0 HD1 HIS A 17 -7.434 4.435 -6.586 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -5.174 1.641 -4.404 1.00 1.00 H new ATOM 0 HE1 HIS A 17 -7.949 2.131 -7.566 1.00 1.00 H new ATOM 264 N LYS A 18 -4.475 6.763 -6.271 1.00 1.00 N ATOM 265 CA LYS A 18 -4.359 7.459 -7.542 1.00 1.00 C ATOM 266 C LYS A 18 -2.907 7.398 -8.021 1.00 1.00 C ATOM 267 O LYS A 18 -2.611 6.774 -9.039 1.00 1.00 O ATOM 268 CB LYS A 18 -4.910 8.881 -7.427 1.00 1.00 C ATOM 269 CG LYS A 18 -4.738 9.644 -8.742 1.00 1.00 C ATOM 270 CD LYS A 18 -4.657 11.152 -8.494 1.00 1.00 C ATOM 271 CE LYS A 18 -3.285 11.544 -7.942 1.00 1.00 C ATOM 272 NZ LYS A 18 -2.516 12.301 -8.955 1.00 1.00 N ATOM 0 H LYS A 18 -4.985 7.273 -5.550 1.00 1.00 H new ATOM 0 HA LYS A 18 -4.967 6.968 -8.302 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -5.966 8.845 -7.159 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -4.395 9.410 -6.625 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -3.833 9.306 -9.247 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -5.575 9.425 -9.406 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -4.845 11.688 -9.424 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -5.435 11.451 -7.791 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -3.407 12.148 -7.043 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -2.734 10.649 -7.652 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -1.587 12.559 -8.564 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -2.384 11.712 -9.802 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -3.036 13.164 -9.212 1.00 1.00 H new ATOM 285 N ALA A 19 -2.040 8.056 -7.265 1.00 1.00 N ATOM 286 CA ALA A 19 -0.627 8.085 -7.600 1.00 1.00 C ATOM 287 C ALA A 19 -0.139 6.658 -7.859 1.00 1.00 C ATOM 288 O ALA A 19 0.564 6.406 -8.836 1.00 1.00 O ATOM 289 CB ALA A 19 0.150 8.773 -6.476 1.00 1.00 C ATOM 0 H ALA A 19 -2.289 8.573 -6.422 1.00 1.00 H new ATOM 0 HA ALA A 19 -0.460 8.660 -8.511 1.00 1.00 H new ATOM 0 HB1 ALA A 19 1.210 8.795 -6.727 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -0.215 9.793 -6.353 1.00 1.00 H new ATOM 0 HB3 ALA A 19 0.009 8.222 -5.546 1.00 1.00 H new ATOM 295 N HIS A 20 -0.531 5.762 -6.965 1.00 1.00 N ATOM 296 CA HIS A 20 -0.142 4.367 -7.084 1.00 1.00 C ATOM 297 C HIS A 20 -0.742 3.774 -8.361 1.00 1.00 C ATOM 298 O HIS A 20 -0.212 2.810 -8.911 1.00 1.00 O ATOM 299 CB HIS A 20 -0.531 3.585 -5.828 1.00 1.00 C ATOM 300 CG HIS A 20 0.498 3.645 -4.724 1.00 1.00 C ATOM 301 ND1 HIS A 20 0.553 4.678 -3.805 1.00 1.00 N ATOM 302 CD2 HIS A 20 1.510 2.789 -4.403 1.00 1.00 C ATOM 303 CE1 HIS A 20 1.557 4.444 -2.973 1.00 1.00 C ATOM 304 NE2 HIS A 20 2.149 3.273 -3.345 1.00 1.00 N ATOM 0 H HIS A 20 -1.114 5.975 -6.155 1.00 1.00 H new ATOM 0 HA HIS A 20 0.943 4.294 -7.165 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -1.477 3.972 -5.450 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -0.698 2.542 -6.099 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -0.073 5.483 -3.774 1.00 1.00 H new ATOM 0 HD2 HIS A 20 1.751 1.873 -4.922 1.00 1.00 H new ATOM 0 HE1 HIS A 20 1.855 5.071 -2.145 1.00 1.00 H new ATOM 312 N GLN A 21 -1.840 4.375 -8.794 1.00 1.00 N ATOM 313 CA GLN A 21 -2.518 3.919 -9.996 1.00 1.00 C ATOM 314 C GLN A 21 -1.814 4.461 -11.241 1.00 1.00 C ATOM 315 O GLN A 21 -2.110 4.041 -12.359 1.00 1.00 O ATOM 316 CB GLN A 21 -3.994 4.324 -9.980 1.00 1.00 C ATOM 317 CG GLN A 21 -4.838 3.290 -9.232 1.00 1.00 C ATOM 318 CD GLN A 21 -6.330 3.610 -9.353 1.00 1.00 C ATOM 319 OE1 GLN A 21 -7.071 2.970 -10.080 1.00 1.00 O ATOM 320 NE2 GLN A 21 -6.726 4.633 -8.601 1.00 1.00 N ATOM 0 H GLN A 21 -2.277 5.174 -8.334 1.00 1.00 H new ATOM 0 HA GLN A 21 -2.474 2.830 -10.023 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -4.102 5.299 -9.505 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -4.358 4.425 -11.002 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -4.642 2.296 -9.633 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -4.550 3.272 -8.181 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -6.052 5.126 -8.015 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -7.703 4.925 -8.611 1.00 1.00 H new ATOM 329 N LYS A 22 -0.895 5.386 -11.007 1.00 1.00 N ATOM 330 CA LYS A 22 -0.147 5.990 -12.096 1.00 1.00 C ATOM 331 C LYS A 22 1.275 5.425 -12.106 1.00 1.00 C ATOM 332 O LYS A 22 1.854 5.211 -13.170 1.00 1.00 O ATOM 333 CB LYS A 22 -0.201 7.516 -12.002 1.00 1.00 C ATOM 334 CG LYS A 22 0.094 8.160 -13.358 1.00 1.00 C ATOM 335 CD LYS A 22 -1.186 8.310 -14.184 1.00 1.00 C ATOM 336 CE LYS A 22 -0.915 9.078 -15.479 1.00 1.00 C ATOM 337 NZ LYS A 22 -1.776 8.570 -16.571 1.00 1.00 N ATOM 0 H LYS A 22 -0.651 5.732 -10.079 1.00 1.00 H new ATOM 0 HA LYS A 22 -0.599 5.737 -13.055 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -1.186 7.828 -11.654 1.00 1.00 H new ATOM 0 HB3 LYS A 22 0.523 7.864 -11.265 1.00 1.00 H new ATOM 0 HG2 LYS A 22 0.551 9.138 -13.208 1.00 1.00 H new ATOM 0 HG3 LYS A 22 0.815 7.552 -13.905 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -1.589 7.325 -14.419 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -1.942 8.833 -13.598 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -1.102 10.141 -15.325 1.00 1.00 H new ATOM 0 HE3 LYS A 22 0.134 8.976 -15.757 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -1.580 9.101 -17.443 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -1.578 7.561 -16.728 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -2.775 8.690 -16.310 1.00 1.00 H new ATOM 350 N ALA A 23 1.797 5.200 -10.909 1.00 1.00 N ATOM 351 CA ALA A 23 3.140 4.664 -10.767 1.00 1.00 C ATOM 352 C ALA A 23 3.138 3.185 -11.158 1.00 1.00 C ATOM 353 O ALA A 23 4.151 2.660 -11.618 1.00 1.00 O ATOM 354 CB ALA A 23 3.631 4.888 -9.335 1.00 1.00 C ATOM 0 H ALA A 23 1.314 5.379 -10.029 1.00 1.00 H new ATOM 0 HA ALA A 23 3.831 5.180 -11.433 1.00 1.00 H new ATOM 0 HB1 ALA A 23 4.638 4.486 -9.229 1.00 1.00 H new ATOM 0 HB2 ALA A 23 3.642 5.956 -9.117 1.00 1.00 H new ATOM 0 HB3 ALA A 23 2.963 4.382 -8.638 1.00 1.00 H new ATOM 360 N VAL A 24 1.989 2.555 -10.961 1.00 1.00 N ATOM 361 CA VAL A 24 1.842 1.147 -11.288 1.00 1.00 C ATOM 362 C VAL A 24 0.641 0.966 -12.217 1.00 1.00 C ATOM 363 O VAL A 24 -0.439 0.540 -11.812 1.00 1.00 O ATOM 364 CB VAL A 24 1.736 0.321 -10.004 1.00 1.00 C ATOM 365 CG1 VAL A 24 1.393 -1.137 -10.318 1.00 1.00 C ATOM 366 CG2 VAL A 24 3.022 0.417 -9.182 1.00 1.00 C ATOM 0 H VAL A 24 1.151 2.994 -10.579 1.00 1.00 H new ATOM 0 HA VAL A 24 2.721 0.784 -11.821 1.00 1.00 H new ATOM 0 HB VAL A 24 0.925 0.735 -9.405 1.00 1.00 H new ATOM 0 HG11 VAL A 24 1.323 -1.703 -9.389 1.00 1.00 H new ATOM 0 HG12 VAL A 24 0.438 -1.181 -10.842 1.00 1.00 H new ATOM 0 HG13 VAL A 24 2.173 -1.567 -10.947 1.00 1.00 H new ATOM 0 HG21 VAL A 24 2.920 -0.179 -8.275 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.859 0.041 -9.771 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.205 1.457 -8.914 1.00 1.00 H new ATOM 376 N PRO A 25 0.856 1.304 -13.490 1.00 1.00 N ATOM 377 CA PRO A 25 -0.138 1.212 -14.538 1.00 1.00 C ATOM 378 C PRO A 25 -0.699 -0.202 -14.587 1.00 1.00 C ATOM 379 O PRO A 25 -1.760 -0.400 -15.177 1.00 1.00 O ATOM 380 CB PRO A 25 0.615 1.547 -15.823 1.00 1.00 C ATOM 381 CG PRO A 25 1.789 2.332 -15.398 1.00 1.00 C ATOM 382 CD PRO A 25 2.112 1.809 -14.000 1.00 1.00 C ATOM 0 HA PRO A 25 -0.982 1.884 -14.382 1.00 1.00 H new ATOM 0 HB2 PRO A 25 0.918 0.641 -16.348 1.00 1.00 H new ATOM 0 HB3 PRO A 25 -0.012 2.118 -16.508 1.00 1.00 H new ATOM 0 HG2 PRO A 25 2.629 2.191 -16.079 1.00 1.00 H new ATOM 0 HG3 PRO A 25 1.568 3.399 -15.381 1.00 1.00 H new ATOM 0 HD2 PRO A 25 2.867 1.024 -14.037 1.00 1.00 H new ATOM 0 HD3 PRO A 25 2.507 2.601 -13.364 1.00 1.00 H new ATOM 390 N ASP A 26 0.010 -1.143 -13.981 1.00 1.00 N ATOM 391 CA ASP A 26 -0.436 -2.526 -13.970 1.00 1.00 C ATOM 392 C ASP A 26 -1.237 -2.789 -12.694 1.00 1.00 C ATOM 393 O ASP A 26 -0.670 -3.157 -11.666 1.00 1.00 O ATOM 394 CB ASP A 26 0.753 -3.488 -13.989 1.00 1.00 C ATOM 395 CG ASP A 26 2.116 -2.828 -14.210 1.00 1.00 C ATOM 396 OD1 ASP A 26 2.902 -2.654 -13.267 1.00 1.00 O ATOM 397 OD2 ASP A 26 2.362 -2.481 -15.428 1.00 1.00 O ATOM 0 H ASP A 26 0.890 -0.975 -13.494 1.00 1.00 H new ATOM 0 HA ASP A 26 -1.047 -2.690 -14.858 1.00 1.00 H new ATOM 0 HB2 ASP A 26 0.778 -4.030 -13.044 1.00 1.00 H new ATOM 0 HB3 ASP A 26 0.592 -4.226 -14.775 1.00 1.00 H new ATOM 403 N CYS A 27 -2.543 -2.591 -12.801 1.00 1.00 N ATOM 404 CA CYS A 27 -3.427 -2.803 -11.668 1.00 1.00 C ATOM 405 C CYS A 27 -3.623 -4.309 -11.486 1.00 1.00 C ATOM 406 O CYS A 27 -4.741 -4.811 -11.592 1.00 1.00 O ATOM 407 CB CYS A 27 -4.760 -2.071 -11.846 1.00 1.00 C ATOM 408 SG CYS A 27 -4.657 -0.510 -12.794 1.00 1.00 S ATOM 0 H CYS A 27 -3.010 -2.286 -13.655 1.00 1.00 H new ATOM 0 HA CYS A 27 -2.975 -2.386 -10.768 1.00 1.00 H new ATOM 0 HB2 CYS A 27 -5.461 -2.739 -12.347 1.00 1.00 H new ATOM 0 HB3 CYS A 27 -5.174 -1.855 -10.861 1.00 1.00 H new ATOM 413 N LYS A 28 -2.519 -4.989 -11.215 1.00 1.00 N ATOM 414 CA LYS A 28 -2.555 -6.428 -11.017 1.00 1.00 C ATOM 415 C LYS A 28 -1.615 -6.804 -9.870 1.00 1.00 C ATOM 416 O LYS A 28 -1.989 -7.569 -8.982 1.00 1.00 O ATOM 417 CB LYS A 28 -2.249 -7.156 -12.327 1.00 1.00 C ATOM 418 CG LYS A 28 -0.863 -6.780 -12.854 1.00 1.00 C ATOM 419 CD LYS A 28 -0.507 -7.598 -14.096 1.00 1.00 C ATOM 420 CE LYS A 28 -0.893 -6.851 -15.374 1.00 1.00 C ATOM 421 NZ LYS A 28 -0.416 -7.584 -16.568 1.00 1.00 N ATOM 0 H LYS A 28 -1.593 -4.570 -11.128 1.00 1.00 H new ATOM 0 HA LYS A 28 -3.556 -6.748 -10.727 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -2.302 -8.233 -12.169 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -3.005 -6.906 -13.071 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -0.838 -5.717 -13.095 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -0.117 -6.948 -12.077 1.00 1.00 H new ATOM 0 HD2 LYS A 28 0.562 -7.809 -14.103 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -1.021 -8.559 -14.063 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -1.976 -6.734 -15.421 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -0.464 -5.849 -15.360 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -0.687 -7.063 -17.426 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 0.619 -7.674 -16.530 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -0.845 -8.531 -16.588 1.00 1.00 H new ATOM 434 N LYS A 29 -0.412 -6.250 -9.927 1.00 1.00 N ATOM 435 CA LYS A 29 0.584 -6.518 -8.903 1.00 1.00 C ATOM 436 C LYS A 29 0.004 -6.175 -7.530 1.00 1.00 C ATOM 437 O LYS A 29 0.510 -6.631 -6.506 1.00 1.00 O ATOM 438 CB LYS A 29 1.889 -5.785 -9.221 1.00 1.00 C ATOM 439 CG LYS A 29 2.822 -5.777 -8.009 1.00 1.00 C ATOM 440 CD LYS A 29 3.409 -7.168 -7.759 1.00 1.00 C ATOM 441 CE LYS A 29 4.916 -7.090 -7.508 1.00 1.00 C ATOM 442 NZ LYS A 29 5.215 -7.323 -6.077 1.00 1.00 N ATOM 0 H LYS A 29 -0.105 -5.617 -10.666 1.00 1.00 H new ATOM 0 HA LYS A 29 0.837 -7.578 -8.886 1.00 1.00 H new ATOM 0 HB2 LYS A 29 2.385 -6.267 -10.063 1.00 1.00 H new ATOM 0 HB3 LYS A 29 1.671 -4.761 -9.523 1.00 1.00 H new ATOM 0 HG2 LYS A 29 3.629 -5.062 -8.171 1.00 1.00 H new ATOM 0 HG3 LYS A 29 2.275 -5.445 -7.127 1.00 1.00 H new ATOM 0 HD2 LYS A 29 2.917 -7.625 -6.901 1.00 1.00 H new ATOM 0 HD3 LYS A 29 3.213 -7.809 -8.618 1.00 1.00 H new ATOM 0 HE2 LYS A 29 5.431 -7.831 -8.119 1.00 1.00 H new ATOM 0 HE3 LYS A 29 5.291 -6.112 -7.810 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 6.242 -7.267 -5.923 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 4.739 -6.600 -5.501 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 4.875 -8.266 -5.800 1.00 1.00 H new ATOM 455 N CYS A 30 -1.051 -5.373 -7.552 1.00 1.00 N ATOM 456 CA CYS A 30 -1.705 -4.962 -6.322 1.00 1.00 C ATOM 457 C CYS A 30 -3.064 -5.661 -6.245 1.00 1.00 C ATOM 458 O CYS A 30 -3.525 -6.013 -5.160 1.00 1.00 O ATOM 459 CB CYS A 30 -1.839 -3.441 -6.232 1.00 1.00 C ATOM 460 SG CYS A 30 -0.638 -2.777 -5.022 1.00 1.00 S ATOM 0 H CYS A 30 -1.469 -4.997 -8.403 1.00 1.00 H new ATOM 0 HA CYS A 30 -1.096 -5.257 -5.467 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -1.666 -2.994 -7.211 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -2.853 -3.174 -5.934 1.00 1.00 H new ATOM 465 N HIS A 31 -3.668 -5.840 -7.410 1.00 1.00 N ATOM 466 CA HIS A 31 -4.966 -6.490 -7.488 1.00 1.00 C ATOM 467 C HIS A 31 -4.811 -7.869 -8.132 1.00 1.00 C ATOM 468 O HIS A 31 -4.591 -7.975 -9.337 1.00 1.00 O ATOM 469 CB HIS A 31 -5.974 -5.603 -8.221 1.00 1.00 C ATOM 470 CG HIS A 31 -6.387 -4.374 -7.448 1.00 1.00 C ATOM 471 ND1 HIS A 31 -7.217 -4.427 -6.341 1.00 1.00 N ATOM 472 CD2 HIS A 31 -6.076 -3.059 -7.632 1.00 1.00 C ATOM 473 CE1 HIS A 31 -7.391 -3.194 -5.889 1.00 1.00 C ATOM 474 NE2 HIS A 31 -6.683 -2.348 -6.690 1.00 1.00 N ATOM 0 H HIS A 31 -3.283 -5.547 -8.308 1.00 1.00 H new ATOM 0 HA HIS A 31 -5.364 -6.639 -6.484 1.00 1.00 H new ATOM 0 HB2 HIS A 31 -5.544 -5.293 -9.174 1.00 1.00 H new ATOM 0 HB3 HIS A 31 -6.862 -6.192 -8.449 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -7.625 -5.272 -5.941 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -5.443 -2.663 -8.412 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -7.989 -2.909 -5.036 1.00 1.00 H new ATOM 482 N GLU A 32 -4.932 -8.893 -7.299 1.00 1.00 N ATOM 483 CA GLU A 32 -4.808 -10.261 -7.772 1.00 1.00 C ATOM 484 C GLU A 32 -5.994 -10.622 -8.668 1.00 1.00 C ATOM 485 O GLU A 32 -6.025 -10.253 -9.841 1.00 1.00 O ATOM 486 CB GLU A 32 -4.689 -11.237 -6.600 1.00 1.00 C ATOM 487 CG GLU A 32 -3.244 -11.329 -6.107 1.00 1.00 C ATOM 488 CD GLU A 32 -3.169 -11.139 -4.590 1.00 1.00 C ATOM 489 OE1 GLU A 32 -3.344 -12.107 -3.835 1.00 1.00 O ATOM 490 OE2 GLU A 32 -2.917 -9.935 -4.204 1.00 1.00 O ATOM 0 H GLU A 32 -5.115 -8.802 -6.300 1.00 1.00 H new ATOM 0 HA GLU A 32 -3.895 -10.340 -8.362 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -5.335 -10.912 -5.785 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -5.036 -12.224 -6.907 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -2.825 -12.298 -6.377 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -2.638 -10.571 -6.603 1.00 1.00 H new ATOM 498 N LYS A 33 -6.941 -11.340 -8.082 1.00 1.00 N ATOM 499 CA LYS A 33 -8.126 -11.755 -8.814 1.00 1.00 C ATOM 500 C LYS A 33 -8.581 -10.616 -9.728 1.00 1.00 C ATOM 501 O LYS A 33 -9.161 -10.857 -10.785 1.00 1.00 O ATOM 502 CB LYS A 33 -9.209 -12.239 -7.848 1.00 1.00 C ATOM 503 CG LYS A 33 -8.871 -13.624 -7.293 1.00 1.00 C ATOM 504 CD LYS A 33 -8.337 -13.526 -5.863 1.00 1.00 C ATOM 505 CE LYS A 33 -7.092 -14.398 -5.681 1.00 1.00 C ATOM 506 NZ LYS A 33 -6.367 -14.016 -4.449 1.00 1.00 N ATOM 0 H LYS A 33 -6.912 -11.645 -7.109 1.00 1.00 H new ATOM 0 HA LYS A 33 -7.899 -12.607 -9.455 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -9.312 -11.530 -7.027 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -10.170 -12.274 -8.361 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -9.761 -14.254 -7.310 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -8.128 -14.104 -7.930 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -8.096 -12.489 -5.632 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -9.110 -13.838 -5.160 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -7.381 -15.448 -5.629 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -6.436 -14.290 -6.545 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -5.525 -14.617 -4.341 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -6.075 -13.020 -4.513 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -6.990 -14.142 -3.626 1.00 1.00 H new ATOM 519 N GLY A 34 -8.300 -9.398 -9.287 1.00 1.00 N ATOM 520 CA GLY A 34 -8.674 -8.221 -10.052 1.00 1.00 C ATOM 521 C GLY A 34 -8.972 -7.038 -9.128 1.00 1.00 C ATOM 522 O GLY A 34 -9.010 -7.158 -7.906 1.00 1.00 O ATOM 0 H GLY A 34 -7.818 -9.201 -8.410 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -7.869 -7.958 -10.738 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -9.551 -8.442 -10.660 1.00 1.00 H new ATOM 526 N PRO A 35 -9.186 -5.876 -9.750 1.00 1.00 N ATOM 527 CA PRO A 35 -9.485 -4.632 -9.075 1.00 1.00 C ATOM 528 C PRO A 35 -10.585 -4.861 -8.047 1.00 1.00 C ATOM 529 O PRO A 35 -11.651 -5.351 -8.417 1.00 1.00 O ATOM 530 CB PRO A 35 -9.957 -3.690 -10.180 1.00 1.00 C ATOM 531 CG PRO A 35 -10.162 -4.594 -11.473 1.00 1.00 C ATOM 532 CD PRO A 35 -9.149 -5.699 -11.186 1.00 1.00 C ATOM 0 HA PRO A 35 -8.628 -4.223 -8.540 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -10.887 -3.195 -9.899 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -9.222 -2.907 -10.365 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -11.180 -4.974 -11.559 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -9.943 -4.057 -12.396 1.00 1.00 H new ATOM 0 HD2 PRO A 35 -9.413 -6.621 -11.704 1.00 1.00 H new ATOM 0 HD3 PRO A 35 -8.152 -5.418 -11.524 1.00 1.00 H new ATOM 540 N GLY A 36 -10.312 -4.513 -6.798 1.00 1.00 N ATOM 541 CA GLY A 36 -11.293 -4.691 -5.741 1.00 1.00 C ATOM 542 C GLY A 36 -10.632 -5.216 -4.464 1.00 1.00 C ATOM 543 O GLY A 36 -9.407 -5.251 -4.364 1.00 1.00 O ATOM 0 H GLY A 36 -9.426 -4.109 -6.494 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -11.788 -3.742 -5.535 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -12.064 -5.388 -6.069 1.00 1.00 H new ATOM 547 N LYS A 37 -11.474 -5.610 -3.520 1.00 1.00 N ATOM 548 CA LYS A 37 -10.987 -6.131 -2.253 1.00 1.00 C ATOM 549 C LYS A 37 -9.890 -7.163 -2.520 1.00 1.00 C ATOM 550 O LYS A 37 -9.915 -7.852 -3.538 1.00 1.00 O ATOM 551 CB LYS A 37 -12.148 -6.669 -1.414 1.00 1.00 C ATOM 552 CG LYS A 37 -12.707 -5.584 -0.492 1.00 1.00 C ATOM 553 CD LYS A 37 -13.375 -6.201 0.738 1.00 1.00 C ATOM 554 CE LYS A 37 -14.819 -6.606 0.433 1.00 1.00 C ATOM 555 NZ LYS A 37 -15.102 -7.958 0.965 1.00 1.00 N ATOM 0 H LYS A 37 -12.490 -5.579 -3.607 1.00 1.00 H new ATOM 0 HA LYS A 37 -10.538 -5.335 -1.660 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -12.937 -7.035 -2.071 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -11.809 -7.517 -0.819 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -11.903 -4.919 -0.178 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -13.430 -4.976 -1.036 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -12.810 -7.074 1.064 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -13.360 -5.487 1.561 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -15.506 -5.884 0.874 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -14.988 -6.590 -0.644 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -16.086 -8.217 0.749 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -14.458 -8.646 0.525 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -14.961 -7.962 1.995 1.00 1.00 H new ATOM 568 N ILE A 38 -8.953 -7.237 -1.586 1.00 1.00 N ATOM 569 CA ILE A 38 -7.849 -8.174 -1.706 1.00 1.00 C ATOM 570 C ILE A 38 -7.948 -9.219 -0.593 1.00 1.00 C ATOM 571 O ILE A 38 -8.169 -8.875 0.567 1.00 1.00 O ATOM 572 CB ILE A 38 -6.514 -7.427 -1.732 1.00 1.00 C ATOM 573 CG1 ILE A 38 -6.553 -6.268 -2.730 1.00 1.00 C ATOM 574 CG2 ILE A 38 -5.355 -8.386 -2.014 1.00 1.00 C ATOM 575 CD1 ILE A 38 -5.378 -5.314 -2.508 1.00 1.00 C ATOM 0 H ILE A 38 -8.936 -6.663 -0.743 1.00 1.00 H new ATOM 0 HA ILE A 38 -7.906 -8.711 -2.653 1.00 1.00 H new ATOM 0 HB ILE A 38 -6.344 -6.997 -0.745 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -6.522 -6.658 -3.747 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -7.492 -5.725 -2.625 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -4.418 -7.830 -2.027 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.315 -9.147 -1.235 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.506 -8.865 -2.981 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -5.429 -4.499 -3.230 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.426 -4.907 -1.498 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.441 -5.855 -2.637 1.00 1.00 H new ATOM 587 N GLU A 39 -7.778 -10.473 -0.985 1.00 1.00 N ATOM 588 CA GLU A 39 -7.846 -11.570 -0.035 1.00 1.00 C ATOM 589 C GLU A 39 -6.440 -11.955 0.431 1.00 1.00 C ATOM 590 O GLU A 39 -5.597 -12.337 -0.379 1.00 1.00 O ATOM 591 CB GLU A 39 -8.573 -12.773 -0.637 1.00 1.00 C ATOM 592 CG GLU A 39 -9.674 -13.274 0.300 1.00 1.00 C ATOM 593 CD GLU A 39 -9.512 -14.769 0.586 1.00 1.00 C ATOM 594 OE1 GLU A 39 -10.270 -15.589 0.047 1.00 1.00 O ATOM 595 OE2 GLU A 39 -8.558 -15.068 1.401 1.00 1.00 O ATOM 0 H GLU A 39 -7.593 -10.754 -1.948 1.00 1.00 H new ATOM 0 HA GLU A 39 -8.418 -11.240 0.832 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -9.007 -12.497 -1.598 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -7.860 -13.575 -0.828 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -9.642 -12.716 1.236 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -10.650 -13.089 -0.149 1.00 1.00 H new ATOM 603 N GLY A 40 -6.232 -11.843 1.735 1.00 1.00 N ATOM 604 CA GLY A 40 -4.943 -12.175 2.318 1.00 1.00 C ATOM 605 C GLY A 40 -4.295 -10.943 2.952 1.00 1.00 C ATOM 606 O GLY A 40 -3.746 -11.022 4.051 1.00 1.00 O ATOM 0 H GLY A 40 -6.934 -11.527 2.404 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -5.070 -12.952 3.072 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -4.286 -12.581 1.549 1.00 1.00 H new ATOM 610 N PHE A 41 -4.378 -9.833 2.234 1.00 1.00 N ATOM 611 CA PHE A 41 -3.806 -8.587 2.713 1.00 1.00 C ATOM 612 C PHE A 41 -4.605 -8.036 3.896 1.00 1.00 C ATOM 613 O PHE A 41 -5.801 -8.295 4.016 1.00 1.00 O ATOM 614 CB PHE A 41 -3.878 -7.588 1.556 1.00 1.00 C ATOM 615 CG PHE A 41 -3.207 -6.245 1.850 1.00 1.00 C ATOM 616 CD1 PHE A 41 -3.836 -5.328 2.634 1.00 1.00 C ATOM 617 CD2 PHE A 41 -1.982 -5.968 1.329 1.00 1.00 C ATOM 618 CE1 PHE A 41 -3.213 -4.082 2.908 1.00 1.00 C ATOM 619 CE2 PHE A 41 -1.360 -4.721 1.602 1.00 1.00 C ATOM 620 CZ PHE A 41 -1.988 -3.805 2.386 1.00 1.00 C ATOM 0 H PHE A 41 -4.833 -9.771 1.323 1.00 1.00 H new ATOM 0 HA PHE A 41 -2.781 -8.752 3.046 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -3.410 -8.031 0.677 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -4.924 -7.413 1.306 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -4.809 -5.548 3.048 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -1.482 -6.696 0.708 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -3.712 -3.354 3.531 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -0.388 -4.500 1.187 1.00 1.00 H new ATOM 0 HZ PHE A 41 -1.514 -2.857 2.594 1.00 1.00 H new ATOM 630 N GLY A 42 -3.910 -7.288 4.740 1.00 1.00 N ATOM 631 CA GLY A 42 -4.539 -6.699 5.910 1.00 1.00 C ATOM 632 C GLY A 42 -3.503 -6.009 6.801 1.00 1.00 C ATOM 633 O GLY A 42 -3.813 -5.025 7.471 1.00 1.00 O ATOM 0 H GLY A 42 -2.918 -7.076 4.637 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -5.293 -5.977 5.597 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -5.055 -7.473 6.478 1.00 1.00 H new ATOM 637 N LYS A 43 -2.295 -6.552 6.778 1.00 1.00 N ATOM 638 CA LYS A 43 -1.212 -6.002 7.576 1.00 1.00 C ATOM 639 C LYS A 43 0.115 -6.605 7.110 1.00 1.00 C ATOM 640 O LYS A 43 0.861 -5.972 6.365 1.00 1.00 O ATOM 641 CB LYS A 43 -1.490 -6.201 9.067 1.00 1.00 C ATOM 642 CG LYS A 43 -0.496 -5.410 9.920 1.00 1.00 C ATOM 643 CD LYS A 43 0.301 -6.339 10.838 1.00 1.00 C ATOM 644 CE LYS A 43 0.576 -5.674 12.187 1.00 1.00 C ATOM 645 NZ LYS A 43 0.091 -6.527 13.295 1.00 1.00 N ATOM 0 H LYS A 43 -2.042 -7.367 6.219 1.00 1.00 H new ATOM 0 HA LYS A 43 -1.141 -4.924 7.431 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -2.507 -5.882 9.297 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -1.425 -7.261 9.315 1.00 1.00 H new ATOM 0 HG2 LYS A 43 0.187 -4.860 9.273 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -1.031 -4.673 10.519 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -0.252 -7.266 10.992 1.00 1.00 H new ATOM 0 HD3 LYS A 43 1.244 -6.606 10.361 1.00 1.00 H new ATOM 0 HE2 LYS A 43 1.645 -5.495 12.299 1.00 1.00 H new ATOM 0 HE3 LYS A 43 0.084 -4.702 12.227 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 0.286 -6.060 14.204 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -0.933 -6.676 13.195 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 0.579 -7.445 13.266 1.00 1.00 H new ATOM 658 N GLU A 44 0.369 -7.821 7.571 1.00 1.00 N ATOM 659 CA GLU A 44 1.593 -8.516 7.211 1.00 1.00 C ATOM 660 C GLU A 44 1.989 -8.184 5.771 1.00 1.00 C ATOM 661 O GLU A 44 3.116 -7.761 5.515 1.00 1.00 O ATOM 662 CB GLU A 44 1.443 -10.026 7.404 1.00 1.00 C ATOM 663 CG GLU A 44 2.468 -10.791 6.564 1.00 1.00 C ATOM 664 CD GLU A 44 3.889 -10.542 7.072 1.00 1.00 C ATOM 665 OE1 GLU A 44 4.465 -11.405 7.752 1.00 1.00 O ATOM 666 OE2 GLU A 44 4.397 -9.404 6.737 1.00 1.00 O ATOM 0 H GLU A 44 -0.252 -8.342 8.190 1.00 1.00 H new ATOM 0 HA GLU A 44 2.389 -8.175 7.873 1.00 1.00 H new ATOM 0 HB2 GLU A 44 1.571 -10.276 8.457 1.00 1.00 H new ATOM 0 HB3 GLU A 44 0.436 -10.334 7.124 1.00 1.00 H new ATOM 0 HG2 GLU A 44 2.248 -11.858 6.598 1.00 1.00 H new ATOM 0 HG3 GLU A 44 2.392 -10.483 5.521 1.00 1.00 H new ATOM 674 N MET A 45 1.041 -8.388 4.869 1.00 1.00 N ATOM 675 CA MET A 45 1.277 -8.115 3.461 1.00 1.00 C ATOM 676 C MET A 45 1.925 -6.742 3.269 1.00 1.00 C ATOM 677 O MET A 45 2.960 -6.626 2.615 1.00 1.00 O ATOM 678 CB MET A 45 -0.051 -8.164 2.702 1.00 1.00 C ATOM 679 CG MET A 45 -0.454 -9.607 2.395 1.00 1.00 C ATOM 680 SD MET A 45 0.789 -10.386 1.378 1.00 1.00 S ATOM 681 CE MET A 45 1.578 -11.426 2.596 1.00 1.00 C ATOM 0 H MET A 45 0.108 -8.739 5.085 1.00 1.00 H new ATOM 0 HA MET A 45 1.956 -8.874 3.072 1.00 1.00 H new ATOM 0 HB2 MET A 45 -0.830 -7.683 3.294 1.00 1.00 H new ATOM 0 HB3 MET A 45 0.036 -7.601 1.772 1.00 1.00 H new ATOM 0 HG2 MET A 45 -0.577 -10.164 3.324 1.00 1.00 H new ATOM 0 HG3 MET A 45 -1.416 -9.623 1.884 1.00 1.00 H new ATOM 0 HE1 MET A 45 2.660 -11.349 2.494 1.00 1.00 H new ATOM 0 HE2 MET A 45 1.284 -11.104 3.595 1.00 1.00 H new ATOM 0 HE3 MET A 45 1.272 -12.461 2.444 1.00 1.00 H new ATOM 691 N ALA A 46 1.289 -5.737 3.852 1.00 1.00 N ATOM 692 CA ALA A 46 1.790 -4.377 3.754 1.00 1.00 C ATOM 693 C ALA A 46 3.236 -4.334 4.251 1.00 1.00 C ATOM 694 O ALA A 46 4.079 -3.658 3.662 1.00 1.00 O ATOM 695 CB ALA A 46 0.875 -3.437 4.541 1.00 1.00 C ATOM 0 H ALA A 46 0.431 -5.837 4.394 1.00 1.00 H new ATOM 0 HA ALA A 46 1.787 -4.041 2.717 1.00 1.00 H new ATOM 0 HB1 ALA A 46 1.251 -2.417 4.467 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -0.133 -3.482 4.130 1.00 1.00 H new ATOM 0 HB3 ALA A 46 0.854 -3.741 5.587 1.00 1.00 H new ATOM 701 N HIS A 47 3.480 -5.063 5.330 1.00 1.00 N ATOM 702 CA HIS A 47 4.809 -5.117 5.913 1.00 1.00 C ATOM 703 C HIS A 47 5.697 -6.044 5.081 1.00 1.00 C ATOM 704 O HIS A 47 6.839 -6.315 5.452 1.00 1.00 O ATOM 705 CB HIS A 47 4.741 -5.526 7.385 1.00 1.00 C ATOM 706 CG HIS A 47 3.941 -4.580 8.249 1.00 1.00 C ATOM 707 ND1 HIS A 47 3.035 -5.017 9.199 1.00 1.00 N ATOM 708 CD2 HIS A 47 3.921 -3.217 8.296 1.00 1.00 C ATOM 709 CE1 HIS A 47 2.499 -3.957 9.785 1.00 1.00 C ATOM 710 NE2 HIS A 47 3.049 -2.842 9.224 1.00 1.00 N ATOM 0 H HIS A 47 2.779 -5.622 5.816 1.00 1.00 H new ATOM 0 HA HIS A 47 5.259 -4.124 5.893 1.00 1.00 H new ATOM 0 HB2 HIS A 47 4.305 -6.522 7.455 1.00 1.00 H new ATOM 0 HB3 HIS A 47 5.755 -5.593 7.780 1.00 1.00 H new ATOM 0 HD1 HIS A 47 2.817 -5.990 9.412 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.514 -2.555 7.682 1.00 1.00 H new ATOM 0 HE1 HIS A 47 1.757 -3.973 10.569 1.00 1.00 H new ATOM 718 N GLY A 48 5.140 -6.506 3.971 1.00 1.00 N ATOM 719 CA GLY A 48 5.867 -7.397 3.083 1.00 1.00 C ATOM 720 C GLY A 48 5.314 -7.323 1.658 1.00 1.00 C ATOM 721 O GLY A 48 4.995 -6.241 1.168 1.00 1.00 O ATOM 0 H GLY A 48 4.193 -6.280 3.666 1.00 1.00 H new ATOM 0 HA2 GLY A 48 6.924 -7.131 3.081 1.00 1.00 H new ATOM 0 HA3 GLY A 48 5.797 -8.420 3.451 1.00 1.00 H new ATOM 725 N LYS A 49 5.217 -8.488 1.034 1.00 1.00 N ATOM 726 CA LYS A 49 4.708 -8.569 -0.324 1.00 1.00 C ATOM 727 C LYS A 49 3.285 -8.008 -0.365 1.00 1.00 C ATOM 728 O LYS A 49 2.315 -8.761 -0.298 1.00 1.00 O ATOM 729 CB LYS A 49 4.820 -10.000 -0.854 1.00 1.00 C ATOM 730 CG LYS A 49 4.522 -10.055 -2.353 1.00 1.00 C ATOM 731 CD LYS A 49 5.351 -11.142 -3.039 1.00 1.00 C ATOM 732 CE LYS A 49 4.654 -12.502 -2.949 1.00 1.00 C ATOM 733 NZ LYS A 49 5.612 -13.549 -2.530 1.00 1.00 N ATOM 0 H LYS A 49 5.482 -9.383 1.444 1.00 1.00 H new ATOM 0 HA LYS A 49 5.312 -7.957 -0.994 1.00 1.00 H new ATOM 0 HB2 LYS A 49 5.822 -10.384 -0.665 1.00 1.00 H new ATOM 0 HB3 LYS A 49 4.125 -10.646 -0.318 1.00 1.00 H new ATOM 0 HG2 LYS A 49 3.461 -10.249 -2.509 1.00 1.00 H new ATOM 0 HG3 LYS A 49 4.739 -9.088 -2.806 1.00 1.00 H new ATOM 0 HD2 LYS A 49 5.509 -10.879 -4.085 1.00 1.00 H new ATOM 0 HD3 LYS A 49 6.335 -11.202 -2.574 1.00 1.00 H new ATOM 0 HE2 LYS A 49 3.830 -12.449 -2.237 1.00 1.00 H new ATOM 0 HE3 LYS A 49 4.223 -12.761 -3.916 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 5.123 -14.465 -2.474 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 6.384 -13.611 -3.224 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 6.003 -13.308 -1.597 1.00 1.00 H new ATOM 746 N GLY A 50 3.206 -6.690 -0.476 1.00 1.00 N ATOM 747 CA GLY A 50 1.918 -6.019 -0.527 1.00 1.00 C ATOM 748 C GLY A 50 2.093 -4.506 -0.664 1.00 1.00 C ATOM 749 O GLY A 50 1.426 -3.872 -1.481 1.00 1.00 O ATOM 0 H GLY A 50 4.013 -6.069 -0.532 1.00 1.00 H new ATOM 0 HA2 GLY A 50 1.339 -6.399 -1.369 1.00 1.00 H new ATOM 0 HA3 GLY A 50 1.351 -6.243 0.377 1.00 1.00 H new ATOM 753 N CYS A 51 2.994 -3.970 0.146 1.00 1.00 N ATOM 754 CA CYS A 51 3.266 -2.543 0.125 1.00 1.00 C ATOM 755 C CYS A 51 4.779 -2.340 0.223 1.00 1.00 C ATOM 756 O CYS A 51 5.377 -1.686 -0.630 1.00 1.00 O ATOM 757 CB CYS A 51 2.518 -1.809 1.240 1.00 1.00 C ATOM 758 SG CYS A 51 0.723 -2.156 1.319 1.00 1.00 S ATOM 0 H CYS A 51 3.545 -4.499 0.822 1.00 1.00 H new ATOM 0 HA CYS A 51 2.904 -2.115 -0.810 1.00 1.00 H new ATOM 0 HB2 CYS A 51 2.968 -2.076 2.196 1.00 1.00 H new ATOM 0 HB3 CYS A 51 2.661 -0.736 1.109 1.00 1.00 H new ATOM 763 N LYS A 52 5.354 -2.913 1.269 1.00 1.00 N ATOM 764 CA LYS A 52 6.786 -2.804 1.490 1.00 1.00 C ATOM 765 C LYS A 52 7.526 -3.595 0.409 1.00 1.00 C ATOM 766 O LYS A 52 8.431 -3.071 -0.239 1.00 1.00 O ATOM 767 CB LYS A 52 7.143 -3.228 2.915 1.00 1.00 C ATOM 768 CG LYS A 52 7.792 -2.076 3.684 1.00 1.00 C ATOM 769 CD LYS A 52 9.318 -2.197 3.670 1.00 1.00 C ATOM 770 CE LYS A 52 9.848 -2.606 5.045 1.00 1.00 C ATOM 771 NZ LYS A 52 11.217 -3.155 4.931 1.00 1.00 N ATOM 0 H LYS A 52 4.854 -3.455 1.974 1.00 1.00 H new ATOM 0 HA LYS A 52 7.107 -1.766 1.402 1.00 1.00 H new ATOM 0 HB2 LYS A 52 6.244 -3.557 3.436 1.00 1.00 H new ATOM 0 HB3 LYS A 52 7.824 -4.079 2.885 1.00 1.00 H new ATOM 0 HG2 LYS A 52 7.495 -1.125 3.241 1.00 1.00 H new ATOM 0 HG3 LYS A 52 7.433 -2.074 4.713 1.00 1.00 H new ATOM 0 HD2 LYS A 52 9.621 -2.933 2.926 1.00 1.00 H new ATOM 0 HD3 LYS A 52 9.759 -1.245 3.375 1.00 1.00 H new ATOM 0 HE2 LYS A 52 9.850 -1.744 5.712 1.00 1.00 H new ATOM 0 HE3 LYS A 52 9.187 -3.350 5.489 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 11.561 -3.428 5.874 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 11.206 -3.990 4.312 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 11.848 -2.433 4.527 1.00 1.00 H new ATOM 784 N GLY A 53 7.114 -4.844 0.248 1.00 1.00 N ATOM 785 CA GLY A 53 7.726 -5.712 -0.743 1.00 1.00 C ATOM 786 C GLY A 53 8.090 -4.931 -2.007 1.00 1.00 C ATOM 787 O GLY A 53 9.208 -5.042 -2.509 1.00 1.00 O ATOM 0 H GLY A 53 6.364 -5.275 0.788 1.00 1.00 H new ATOM 0 HA2 GLY A 53 8.621 -6.172 -0.325 1.00 1.00 H new ATOM 0 HA3 GLY A 53 7.041 -6.521 -0.996 1.00 1.00 H new ATOM 791 N CYS A 54 7.126 -4.157 -2.484 1.00 1.00 N ATOM 792 CA CYS A 54 7.331 -3.358 -3.680 1.00 1.00 C ATOM 793 C CYS A 54 8.233 -2.175 -3.318 1.00 1.00 C ATOM 794 O CYS A 54 9.136 -1.824 -4.076 1.00 1.00 O ATOM 795 CB CYS A 54 6.004 -2.898 -4.288 1.00 1.00 C ATOM 796 SG CYS A 54 6.297 -2.138 -5.927 1.00 1.00 S ATOM 0 H CYS A 54 6.201 -4.066 -2.064 1.00 1.00 H new ATOM 0 HA CYS A 54 7.816 -3.963 -4.446 1.00 1.00 H new ATOM 0 HB2 CYS A 54 5.326 -3.746 -4.387 1.00 1.00 H new ATOM 0 HB3 CYS A 54 5.521 -2.180 -3.626 1.00 1.00 H new ATOM 801 N HIS A 55 7.956 -1.594 -2.160 1.00 1.00 N ATOM 802 CA HIS A 55 8.731 -0.459 -1.689 1.00 1.00 C ATOM 803 C HIS A 55 10.201 -0.861 -1.554 1.00 1.00 C ATOM 804 O HIS A 55 11.090 -0.133 -1.991 1.00 1.00 O ATOM 805 CB HIS A 55 8.146 0.095 -0.388 1.00 1.00 C ATOM 806 CG HIS A 55 6.766 0.689 -0.539 1.00 1.00 C ATOM 807 ND1 HIS A 55 5.909 0.875 0.531 1.00 1.00 N ATOM 808 CD2 HIS A 55 6.104 1.135 -1.645 1.00 1.00 C ATOM 809 CE1 HIS A 55 4.784 1.410 0.079 1.00 1.00 C ATOM 810 NE2 HIS A 55 4.907 1.569 -1.270 1.00 1.00 N ATOM 0 H HIS A 55 7.206 -1.888 -1.534 1.00 1.00 H new ATOM 0 HA HIS A 55 8.678 0.350 -2.418 1.00 1.00 H new ATOM 0 HB2 HIS A 55 8.107 -0.706 0.351 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.818 0.858 0.004 1.00 1.00 H new ATOM 0 HD1 HIS A 55 6.109 0.640 1.503 1.00 1.00 H new ATOM 0 HD2 HIS A 55 6.488 1.135 -2.654 1.00 1.00 H new ATOM 0 HE1 HIS A 55 3.922 1.674 0.674 1.00 1.00 H new ATOM 818 N GLU A 56 10.411 -2.020 -0.946 1.00 1.00 N ATOM 819 CA GLU A 56 11.758 -2.527 -0.747 1.00 1.00 C ATOM 820 C GLU A 56 12.291 -3.138 -2.045 1.00 1.00 C ATOM 821 O GLU A 56 13.500 -3.161 -2.273 1.00 1.00 O ATOM 822 CB GLU A 56 11.797 -3.545 0.394 1.00 1.00 C ATOM 823 CG GLU A 56 10.588 -4.481 0.337 1.00 1.00 C ATOM 824 CD GLU A 56 10.991 -5.919 0.671 1.00 1.00 C ATOM 825 OE1 GLU A 56 11.917 -6.463 0.051 1.00 1.00 O ATOM 826 OE2 GLU A 56 10.305 -6.473 1.612 1.00 1.00 O ATOM 0 H GLU A 56 9.671 -2.622 -0.585 1.00 1.00 H new ATOM 0 HA GLU A 56 12.402 -1.693 -0.468 1.00 1.00 H new ATOM 0 HB2 GLU A 56 12.716 -4.128 0.334 1.00 1.00 H new ATOM 0 HB3 GLU A 56 11.812 -3.023 1.351 1.00 1.00 H new ATOM 0 HG2 GLU A 56 9.827 -4.141 1.039 1.00 1.00 H new ATOM 0 HG3 GLU A 56 10.143 -4.446 -0.657 1.00 1.00 H new ATOM 834 N GLU A 57 11.364 -3.617 -2.861 1.00 1.00 N ATOM 835 CA GLU A 57 11.726 -4.226 -4.129 1.00 1.00 C ATOM 836 C GLU A 57 12.077 -3.147 -5.155 1.00 1.00 C ATOM 837 O GLU A 57 13.009 -3.312 -5.941 1.00 1.00 O ATOM 838 CB GLU A 57 10.602 -5.128 -4.645 1.00 1.00 C ATOM 839 CG GLU A 57 10.884 -5.591 -6.076 1.00 1.00 C ATOM 840 CD GLU A 57 12.233 -6.307 -6.165 1.00 1.00 C ATOM 841 OE1 GLU A 57 12.657 -6.953 -5.195 1.00 1.00 O ATOM 842 OE2 GLU A 57 12.846 -6.176 -7.292 1.00 1.00 O ATOM 0 H GLU A 57 10.363 -3.596 -2.669 1.00 1.00 H new ATOM 0 HA GLU A 57 12.605 -4.850 -3.972 1.00 1.00 H new ATOM 0 HB2 GLU A 57 10.498 -5.995 -3.992 1.00 1.00 H new ATOM 0 HB3 GLU A 57 9.655 -4.589 -4.613 1.00 1.00 H new ATOM 0 HG2 GLU A 57 10.090 -6.260 -6.408 1.00 1.00 H new ATOM 0 HG3 GLU A 57 10.879 -4.732 -6.747 1.00 1.00 H new ATOM 850 N MET A 58 11.312 -2.066 -5.115 1.00 1.00 N ATOM 851 CA MET A 58 11.531 -0.960 -6.031 1.00 1.00 C ATOM 852 C MET A 58 12.460 0.088 -5.414 1.00 1.00 C ATOM 853 O MET A 58 13.347 0.609 -6.087 1.00 1.00 O ATOM 854 CB MET A 58 10.189 -0.311 -6.378 1.00 1.00 C ATOM 855 CG MET A 58 9.315 -1.264 -7.197 1.00 1.00 C ATOM 856 SD MET A 58 8.163 -0.333 -8.192 1.00 1.00 S ATOM 857 CE MET A 58 8.134 -1.344 -9.662 1.00 1.00 C ATOM 0 H MET A 58 10.540 -1.933 -4.462 1.00 1.00 H new ATOM 0 HA MET A 58 12.002 -1.349 -6.934 1.00 1.00 H new ATOM 0 HB2 MET A 58 9.669 -0.031 -5.462 1.00 1.00 H new ATOM 0 HB3 MET A 58 10.359 0.607 -6.941 1.00 1.00 H new ATOM 0 HG2 MET A 58 9.941 -1.886 -7.837 1.00 1.00 H new ATOM 0 HG3 MET A 58 8.773 -1.936 -6.532 1.00 1.00 H new ATOM 0 HE1 MET A 58 7.457 -0.903 -10.394 1.00 1.00 H new ATOM 0 HE2 MET A 58 9.137 -1.401 -10.084 1.00 1.00 H new ATOM 0 HE3 MET A 58 7.789 -2.346 -9.408 1.00 1.00 H new ATOM 867 N LYS A 59 12.223 0.365 -4.140 1.00 1.00 N ATOM 868 CA LYS A 59 13.027 1.341 -3.425 1.00 1.00 C ATOM 869 C LYS A 59 12.571 2.751 -3.807 1.00 1.00 C ATOM 870 O LYS A 59 13.392 3.606 -4.133 1.00 1.00 O ATOM 871 CB LYS A 59 14.517 1.090 -3.669 1.00 1.00 C ATOM 872 CG LYS A 59 14.858 -0.391 -3.495 1.00 1.00 C ATOM 873 CD LYS A 59 15.230 -0.701 -2.043 1.00 1.00 C ATOM 874 CE LYS A 59 16.552 -1.467 -1.967 1.00 1.00 C ATOM 875 NZ LYS A 59 16.488 -2.509 -0.918 1.00 1.00 N ATOM 0 H LYS A 59 11.486 -0.069 -3.585 1.00 1.00 H new ATOM 0 HA LYS A 59 12.881 1.239 -2.350 1.00 1.00 H new ATOM 0 HB2 LYS A 59 14.784 1.413 -4.675 1.00 1.00 H new ATOM 0 HB3 LYS A 59 15.109 1.687 -2.975 1.00 1.00 H new ATOM 0 HG2 LYS A 59 14.006 -1.002 -3.794 1.00 1.00 H new ATOM 0 HG3 LYS A 59 15.687 -0.657 -4.151 1.00 1.00 H new ATOM 0 HD2 LYS A 59 15.311 0.228 -1.478 1.00 1.00 H new ATOM 0 HD3 LYS A 59 14.438 -1.288 -1.578 1.00 1.00 H new ATOM 0 HE2 LYS A 59 16.769 -1.926 -2.931 1.00 1.00 H new ATOM 0 HE3 LYS A 59 17.367 -0.776 -1.752 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 17.393 -3.019 -0.880 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 16.303 -2.063 0.003 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 15.723 -3.178 -1.139 1.00 1.00 H new ATOM 888 N LYS A 60 11.262 2.949 -3.756 1.00 1.00 N ATOM 889 CA LYS A 60 10.686 4.240 -4.093 1.00 1.00 C ATOM 890 C LYS A 60 9.708 4.659 -2.994 1.00 1.00 C ATOM 891 O LYS A 60 9.717 5.808 -2.555 1.00 1.00 O ATOM 892 CB LYS A 60 10.063 4.200 -5.489 1.00 1.00 C ATOM 893 CG LYS A 60 11.141 4.083 -6.568 1.00 1.00 C ATOM 894 CD LYS A 60 10.515 3.957 -7.958 1.00 1.00 C ATOM 895 CE LYS A 60 11.199 4.895 -8.955 1.00 1.00 C ATOM 896 NZ LYS A 60 10.640 6.261 -8.849 1.00 1.00 N ATOM 0 H LYS A 60 10.583 2.237 -3.486 1.00 1.00 H new ATOM 0 HA LYS A 60 11.462 5.004 -4.138 1.00 1.00 H new ATOM 0 HB2 LYS A 60 9.378 3.355 -5.561 1.00 1.00 H new ATOM 0 HB3 LYS A 60 9.475 5.102 -5.654 1.00 1.00 H new ATOM 0 HG2 LYS A 60 11.789 4.959 -6.535 1.00 1.00 H new ATOM 0 HG3 LYS A 60 11.768 3.214 -6.368 1.00 1.00 H new ATOM 0 HD2 LYS A 60 10.598 2.927 -8.306 1.00 1.00 H new ATOM 0 HD3 LYS A 60 9.452 4.190 -7.904 1.00 1.00 H new ATOM 0 HE2 LYS A 60 12.272 4.919 -8.764 1.00 1.00 H new ATOM 0 HE3 LYS A 60 11.064 4.518 -9.969 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 11.115 6.885 -9.532 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 9.621 6.236 -9.054 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 10.791 6.624 -7.886 1.00 1.00 H new ATOM 909 N GLY A 61 8.887 3.705 -2.581 1.00 1.00 N ATOM 910 CA GLY A 61 7.904 3.961 -1.541 1.00 1.00 C ATOM 911 C GLY A 61 8.555 3.952 -0.157 1.00 1.00 C ATOM 912 O GLY A 61 9.769 3.840 -0.008 1.00 1.00 O ATOM 0 H GLY A 61 8.882 2.753 -2.948 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.427 4.925 -1.716 1.00 1.00 H new ATOM 0 HA3 GLY A 61 7.120 3.205 -1.583 1.00 1.00 H new ATOM 916 N PRO A 62 7.706 4.075 0.866 1.00 1.00 N ATOM 917 CA PRO A 62 8.103 4.090 2.258 1.00 1.00 C ATOM 918 C PRO A 62 8.470 2.681 2.699 1.00 1.00 C ATOM 919 O PRO A 62 7.774 1.740 2.322 1.00 1.00 O ATOM 920 CB PRO A 62 6.874 4.596 3.010 1.00 1.00 C ATOM 921 CG PRO A 62 5.715 3.961 2.126 1.00 1.00 C ATOM 922 CD PRO A 62 6.272 4.209 0.727 1.00 1.00 C ATOM 0 HA PRO A 62 8.974 4.719 2.444 1.00 1.00 H new ATOM 0 HB2 PRO A 62 6.847 4.248 4.042 1.00 1.00 H new ATOM 0 HB3 PRO A 62 6.824 5.684 3.039 1.00 1.00 H new ATOM 0 HG2 PRO A 62 5.568 2.901 2.333 1.00 1.00 H new ATOM 0 HG3 PRO A 62 4.755 4.453 2.284 1.00 1.00 H new ATOM 0 HD2 PRO A 62 5.876 3.489 0.011 1.00 1.00 H new ATOM 0 HD3 PRO A 62 6.002 5.201 0.365 1.00 1.00 H new ATOM 930 N THR A 63 9.539 2.560 3.474 1.00 1.00 N ATOM 931 CA THR A 63 9.976 1.258 3.948 1.00 1.00 C ATOM 932 C THR A 63 10.398 1.340 5.417 1.00 1.00 C ATOM 933 O THR A 63 11.245 0.571 5.867 1.00 1.00 O ATOM 934 CB THR A 63 11.090 0.767 3.022 1.00 1.00 C ATOM 935 OG1 THR A 63 11.801 1.953 2.675 1.00 1.00 O ATOM 936 CG2 THR A 63 10.556 0.248 1.686 1.00 1.00 C ATOM 0 H THR A 63 10.115 3.342 3.785 1.00 1.00 H new ATOM 0 HA THR A 63 9.164 0.532 3.916 1.00 1.00 H new ATOM 0 HB THR A 63 11.652 -0.024 3.519 1.00 1.00 H new ATOM 0 HG1 THR A 63 12.543 1.726 2.077 1.00 1.00 H new ATOM 0 HG21 THR A 63 11.388 -0.088 1.067 1.00 1.00 H new ATOM 0 HG22 THR A 63 9.877 -0.586 1.865 1.00 1.00 H new ATOM 0 HG23 THR A 63 10.022 1.047 1.173 1.00 1.00 H new ATOM 944 N LYS A 64 9.787 2.280 6.123 1.00 1.00 N ATOM 945 CA LYS A 64 10.089 2.473 7.531 1.00 1.00 C ATOM 946 C LYS A 64 8.786 2.692 8.302 1.00 1.00 C ATOM 947 O LYS A 64 7.795 3.150 7.736 1.00 1.00 O ATOM 948 CB LYS A 64 11.107 3.601 7.712 1.00 1.00 C ATOM 949 CG LYS A 64 12.307 3.129 8.536 1.00 1.00 C ATOM 950 CD LYS A 64 13.351 4.240 8.670 1.00 1.00 C ATOM 951 CE LYS A 64 13.505 4.675 10.128 1.00 1.00 C ATOM 952 NZ LYS A 64 13.653 6.145 10.218 1.00 1.00 N ATOM 0 H LYS A 64 9.084 2.916 5.746 1.00 1.00 H new ATOM 0 HA LYS A 64 10.560 1.581 7.945 1.00 1.00 H new ATOM 0 HB2 LYS A 64 11.446 3.950 6.737 1.00 1.00 H new ATOM 0 HB3 LYS A 64 10.632 4.448 8.207 1.00 1.00 H new ATOM 0 HG2 LYS A 64 11.973 2.817 9.526 1.00 1.00 H new ATOM 0 HG3 LYS A 64 12.758 2.257 8.062 1.00 1.00 H new ATOM 0 HD2 LYS A 64 14.310 3.891 8.288 1.00 1.00 H new ATOM 0 HD3 LYS A 64 13.058 5.095 8.061 1.00 1.00 H new ATOM 0 HE2 LYS A 64 12.636 4.355 10.703 1.00 1.00 H new ATOM 0 HE3 LYS A 64 14.375 4.188 10.569 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 13.756 6.423 11.215 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 14.496 6.442 9.686 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 12.811 6.604 9.816 1.00 1.00 H new ATOM 965 N CYS A 65 8.829 2.354 9.583 1.00 1.00 N ATOM 966 CA CYS A 65 7.664 2.509 10.437 1.00 1.00 C ATOM 967 C CYS A 65 7.235 3.977 10.404 1.00 1.00 C ATOM 968 O CYS A 65 6.045 4.277 10.319 1.00 1.00 O ATOM 969 CB CYS A 65 7.940 2.027 11.863 1.00 1.00 C ATOM 970 SG CYS A 65 9.000 0.539 11.979 1.00 1.00 S ATOM 0 H CYS A 65 9.652 1.974 10.050 1.00 1.00 H new ATOM 0 HA CYS A 65 6.851 1.886 10.064 1.00 1.00 H new ATOM 0 HB2 CYS A 65 8.412 2.836 12.420 1.00 1.00 H new ATOM 0 HB3 CYS A 65 6.988 1.817 12.351 1.00 1.00 H new ATOM 975 N GLY A 66 8.227 4.852 10.473 1.00 1.00 N ATOM 976 CA GLY A 66 7.967 6.281 10.452 1.00 1.00 C ATOM 977 C GLY A 66 7.891 6.804 9.016 1.00 1.00 C ATOM 978 O GLY A 66 7.955 8.010 8.786 1.00 1.00 O ATOM 0 H GLY A 66 9.213 4.599 10.544 1.00 1.00 H new ATOM 0 HA2 GLY A 66 7.031 6.491 10.969 1.00 1.00 H new ATOM 0 HA3 GLY A 66 8.755 6.806 10.993 1.00 1.00 H new ATOM 982 N GLU A 67 7.755 5.869 8.086 1.00 1.00 N ATOM 983 CA GLU A 67 7.669 6.220 6.679 1.00 1.00 C ATOM 984 C GLU A 67 6.292 5.853 6.123 1.00 1.00 C ATOM 985 O GLU A 67 6.000 6.111 4.956 1.00 1.00 O ATOM 986 CB GLU A 67 8.782 5.543 5.877 1.00 1.00 C ATOM 987 CG GLU A 67 9.666 6.581 5.181 1.00 1.00 C ATOM 988 CD GLU A 67 10.332 5.989 3.938 1.00 1.00 C ATOM 989 OE1 GLU A 67 11.018 4.960 4.032 1.00 1.00 O ATOM 990 OE2 GLU A 67 10.116 6.635 2.843 1.00 1.00 O ATOM 0 H GLU A 67 7.702 4.869 8.280 1.00 1.00 H new ATOM 0 HA GLU A 67 7.801 7.298 6.585 1.00 1.00 H new ATOM 0 HB2 GLU A 67 9.390 4.928 6.540 1.00 1.00 H new ATOM 0 HB3 GLU A 67 8.345 4.875 5.134 1.00 1.00 H new ATOM 0 HG2 GLU A 67 9.065 7.445 4.899 1.00 1.00 H new ATOM 0 HG3 GLU A 67 10.430 6.936 5.873 1.00 1.00 H new ATOM 998 N CYS A 68 5.481 5.256 6.985 1.00 1.00 N ATOM 999 CA CYS A 68 4.142 4.851 6.594 1.00 1.00 C ATOM 1000 C CYS A 68 3.160 5.349 7.657 1.00 1.00 C ATOM 1001 O CYS A 68 2.269 6.143 7.361 1.00 1.00 O ATOM 1002 CB CYS A 68 4.044 3.337 6.393 1.00 1.00 C ATOM 1003 SG CYS A 68 3.920 2.950 4.609 1.00 1.00 S ATOM 0 H CYS A 68 5.726 5.043 7.952 1.00 1.00 H new ATOM 0 HA CYS A 68 3.892 5.296 5.631 1.00 1.00 H new ATOM 0 HB2 CYS A 68 4.920 2.848 6.820 1.00 1.00 H new ATOM 0 HB3 CYS A 68 3.173 2.947 6.920 1.00 1.00 H new ATOM 1008 N HIS A 69 3.357 4.862 8.874 1.00 1.00 N ATOM 1009 CA HIS A 69 2.501 5.248 9.982 1.00 1.00 C ATOM 1010 C HIS A 69 2.815 6.687 10.396 1.00 1.00 C ATOM 1011 O HIS A 69 3.854 6.950 11.000 1.00 1.00 O ATOM 1012 CB HIS A 69 2.630 4.256 11.140 1.00 1.00 C ATOM 1013 CG HIS A 69 2.230 2.843 10.785 1.00 1.00 C ATOM 1014 ND1 HIS A 69 0.911 2.455 10.625 1.00 1.00 N ATOM 1015 CD2 HIS A 69 2.988 1.732 10.562 1.00 1.00 C ATOM 1016 CE1 HIS A 69 0.889 1.166 10.320 1.00 1.00 C ATOM 1017 NE2 HIS A 69 2.177 0.720 10.282 1.00 1.00 N ATOM 0 H HIS A 69 4.097 4.203 9.116 1.00 1.00 H new ATOM 0 HA HIS A 69 1.458 5.217 9.668 1.00 1.00 H new ATOM 0 HB2 HIS A 69 3.662 4.254 11.490 1.00 1.00 H new ATOM 0 HB3 HIS A 69 2.013 4.600 11.970 1.00 1.00 H new ATOM 0 HD1 HIS A 69 0.095 3.059 10.725 1.00 1.00 H new ATOM 0 HD2 HIS A 69 4.066 1.684 10.606 1.00 1.00 H new ATOM 0 HE1 HIS A 69 0.006 0.573 10.134 1.00 1.00 H new ATOM 1025 N LYS A 70 1.898 7.581 10.055 1.00 1.00 N ATOM 1026 CA LYS A 70 2.064 8.986 10.385 1.00 1.00 C ATOM 1027 C LYS A 70 0.687 9.635 10.541 1.00 1.00 C ATOM 1028 O LYS A 70 -0.057 9.762 9.570 1.00 1.00 O ATOM 1029 CB LYS A 70 2.956 9.677 9.351 1.00 1.00 C ATOM 1030 CG LYS A 70 3.007 11.187 9.592 1.00 1.00 C ATOM 1031 CD LYS A 70 4.106 11.544 10.596 1.00 1.00 C ATOM 1032 CE LYS A 70 5.471 11.618 9.911 1.00 1.00 C ATOM 1033 NZ LYS A 70 5.727 12.988 9.412 1.00 1.00 N ATOM 0 H LYS A 70 1.038 7.359 9.554 1.00 1.00 H new ATOM 0 HA LYS A 70 2.578 9.095 11.340 1.00 1.00 H new ATOM 0 HB2 LYS A 70 3.963 9.263 9.400 1.00 1.00 H new ATOM 0 HB3 LYS A 70 2.578 9.478 8.348 1.00 1.00 H new ATOM 0 HG2 LYS A 70 3.188 11.704 8.650 1.00 1.00 H new ATOM 0 HG3 LYS A 70 2.043 11.532 9.964 1.00 1.00 H new ATOM 0 HD2 LYS A 70 3.878 12.501 11.065 1.00 1.00 H new ATOM 0 HD3 LYS A 70 4.134 10.798 11.391 1.00 1.00 H new ATOM 0 HE2 LYS A 70 6.253 11.328 10.613 1.00 1.00 H new ATOM 0 HE3 LYS A 70 5.508 10.910 9.083 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 6.658 13.021 8.950 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 4.991 13.251 8.726 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 5.713 13.656 10.209 1.00 1.00 H new ATOM 1046 N LYS A 71 0.390 10.028 11.771 1.00 1.00 N ATOM 1047 CA LYS A 71 -0.884 10.661 12.066 1.00 1.00 C ATOM 1048 C LYS A 71 -1.024 11.932 11.227 1.00 1.00 C ATOM 1049 O LYS A 71 -2.128 12.296 10.825 1.00 1.00 O ATOM 1050 CB LYS A 71 -1.028 10.898 13.571 1.00 1.00 C ATOM 1051 CG LYS A 71 -2.051 11.999 13.858 1.00 1.00 C ATOM 1052 CD LYS A 71 -2.960 11.612 15.026 1.00 1.00 C ATOM 1053 CE LYS A 71 -3.553 12.854 15.694 1.00 1.00 C ATOM 1054 NZ LYS A 71 -3.615 12.673 17.162 1.00 1.00 N ATOM 0 H LYS A 71 1.009 9.920 12.574 1.00 1.00 H new ATOM 0 HA LYS A 71 -1.709 10.004 11.789 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -1.336 9.974 14.060 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -0.062 11.175 13.993 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -1.533 12.930 14.088 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -2.654 12.181 12.968 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -3.764 10.968 14.668 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -2.393 11.037 15.758 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -2.947 13.728 15.455 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -4.553 13.043 15.302 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -4.020 13.525 17.600 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -4.212 11.852 17.386 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -2.656 12.515 17.533 1.00 1.00 H new TER 1067 LYS A 71 HETATM 1068 CHA HEM A 101 -8.935 -0.812 -3.873 1.00 1.00 C HETATM 1069 CHB HEM A 101 -9.144 -0.095 -8.686 1.00 1.00 C HETATM 1070 CHC HEM A 101 -4.282 0.107 -8.880 1.00 1.00 C HETATM 1071 CHD HEM A 101 -4.074 -1.030 -4.091 1.00 1.00 C HETATM 1072 C1A HEM A 101 -9.401 -0.663 -5.174 1.00 1.00 C HETATM 1073 C2A HEM A 101 -10.791 -0.758 -5.554 1.00 1.00 C HETATM 1074 C3A HEM A 101 -10.853 -0.560 -6.888 1.00 1.00 C HETATM 1075 C4A HEM A 101 -9.502 -0.340 -7.347 1.00 1.00 C HETATM 1076 CMA HEM A 101 -12.070 -0.559 -7.767 1.00 1.00 C HETATM 1077 CAA HEM A 101 -11.924 -1.029 -4.607 1.00 1.00 C HETATM 1078 CBA HEM A 101 -11.693 -2.226 -3.689 1.00 1.00 C HETATM 1079 CGA HEM A 101 -11.693 -1.803 -2.227 1.00 1.00 C HETATM 1080 O1A HEM A 101 -10.963 -2.453 -1.448 1.00 1.00 O HETATM 1081 O2A HEM A 101 -12.424 -0.838 -1.915 1.00 1.00 O HETATM 1082 C1B HEM A 101 -7.838 0.070 -9.136 1.00 1.00 C HETATM 1083 C2B HEM A 101 -7.486 0.455 -10.482 1.00 1.00 C HETATM 1084 C3B HEM A 101 -6.139 0.512 -10.539 1.00 1.00 C HETATM 1085 C4B HEM A 101 -5.643 0.162 -9.229 1.00 1.00 C HETATM 1086 CMB HEM A 101 -8.470 0.731 -11.581 1.00 1.00 C HETATM 1087 CAB HEM A 101 -5.278 0.865 -11.717 1.00 1.00 C HETATM 1088 CBB HEM A 101 -5.812 2.027 -12.549 1.00 1.00 C HETATM 1089 C1C HEM A 101 -3.780 -0.252 -7.558 1.00 1.00 C HETATM 1090 C2C HEM A 101 -2.390 -0.439 -7.217 1.00 1.00 C HETATM 1091 C3C HEM A 101 -2.342 -0.747 -5.904 1.00 1.00 C HETATM 1092 C4C HEM A 101 -3.702 -0.752 -5.419 1.00 1.00 C HETATM 1093 CMC HEM A 101 -1.244 -0.307 -8.178 1.00 1.00 C HETATM 1094 CAC HEM A 101 -1.130 -1.035 -5.066 1.00 1.00 C HETATM 1095 CBC HEM A 101 0.129 -0.303 -5.522 1.00 1.00 C HETATM 1096 C1D HEM A 101 -5.385 -1.047 -3.626 1.00 1.00 C HETATM 1097 C2D HEM A 101 -5.755 -1.283 -2.251 1.00 1.00 C HETATM 1098 C3D HEM A 101 -7.102 -1.223 -2.187 1.00 1.00 C HETATM 1099 C4D HEM A 101 -7.579 -0.949 -3.522 1.00 1.00 C HETATM 1100 CMD HEM A 101 -4.788 -1.542 -1.133 1.00 1.00 C HETATM 1101 CAD HEM A 101 -7.979 -1.400 -0.981 1.00 1.00 C HETATM 1102 CBD HEM A 101 -7.695 -2.673 -0.189 1.00 1.00 C HETATM 1103 CGD HEM A 101 -6.923 -2.365 1.085 1.00 1.00 C HETATM 1104 O1D HEM A 101 -7.512 -1.688 1.956 1.00 1.00 O HETATM 1105 O2D HEM A 101 -5.758 -2.812 1.165 1.00 1.00 O HETATM 1106 NA HEM A 101 -8.617 -0.406 -6.285 1.00 1.00 N HETATM 1107 NB HEM A 101 -6.697 -0.108 -8.373 1.00 1.00 N HETATM 1108 NC HEM A 101 -4.579 -0.447 -6.445 1.00 1.00 N HETATM 1109 ND HEM A 101 -6.514 -0.843 -4.400 1.00 1.00 N HETATM 1110 FE HEM A 101 -6.447 -0.500 -6.415 1.00 1.00 FE HETATM 0 HMA1 HEM A 101 -11.909 0.112 -8.611 1.00 1.00 H new HETATM 0 HMA2 HEM A 101 -12.933 -0.220 -7.194 1.00 1.00 H new HETATM 0 HMA3 HEM A 101 -12.253 -1.568 -8.135 1.00 1.00 H new HETATM 0 HMB1 HEM A 101 -9.365 0.128 -11.428 1.00 1.00 H new HETATM 0 HMB2 HEM A 101 -8.022 0.478 -12.542 1.00 1.00 H new HETATM 0 HMB3 HEM A 101 -8.738 1.787 -11.572 1.00 1.00 H new HETATM 0 HMC1 HEM A 101 -1.576 -0.579 -9.180 1.00 1.00 H new HETATM 0 HMC2 HEM A 101 -0.434 -0.969 -7.872 1.00 1.00 H new HETATM 0 HMC3 HEM A 101 -0.888 0.723 -8.181 1.00 1.00 H new HETATM 0 HMD1 HEM A 101 -5.206 -1.171 -0.197 1.00 1.00 H new HETATM 0 HMD2 HEM A 101 -3.848 -1.030 -1.339 1.00 1.00 H new HETATM 0 HMD3 HEM A 101 -4.607 -2.614 -1.050 1.00 1.00 H new HETATM 0 HBB1 HEM A 101 -5.263 2.365 -13.428 1.00 1.00 H new HETATM 0 HBB2 HEM A 101 -6.742 2.519 -12.264 1.00 1.00 H new HETATM 0 HBC1 HEM A 101 1.066 -0.442 -4.982 1.00 1.00 H new HETATM 0 HBC2 HEM A 101 0.091 0.359 -6.387 1.00 1.00 H new HETATM 0 HBA1 HEM A 101 -10.742 -2.698 -3.934 1.00 1.00 H new HETATM 0 HBA2 HEM A 101 -12.471 -2.971 -3.855 1.00 1.00 H new HETATM 0 HAA1 HEM A 101 -12.834 -1.197 -5.184 1.00 1.00 H new HETATM 0 HAA2 HEM A 101 -12.093 -0.143 -3.996 1.00 1.00 H new HETATM 0 HBD1 HEM A 101 -7.124 -3.368 -0.805 1.00 1.00 H new HETATM 0 HBD2 HEM A 101 -8.634 -3.166 0.062 1.00 1.00 H new HETATM 0 HAD1 HEM A 101 -9.021 -1.408 -1.300 1.00 1.00 H new HETATM 0 HAD2 HEM A 101 -7.853 -0.540 -0.324 1.00 1.00 H new HETATM 0 HHA HEM A 101 -9.664 -0.823 -3.076 1.00 1.00 H new HETATM 0 HHB HEM A 101 -9.938 -0.031 -9.415 1.00 1.00 H new HETATM 0 HHC HEM A 101 -3.558 0.347 -9.644 1.00 1.00 H new HETATM 0 HHD HEM A 101 -3.287 -1.245 -3.383 1.00 1.00 H new HETATM 0 HAB HEM A 101 -4.354 0.338 -11.956 1.00 1.00 H new HETATM 0 HAC HEM A 101 -1.148 -1.707 -4.208 1.00 1.00 H new HETATM 1111 CHA HEM A 102 5.242 5.425 -2.544 1.00 1.00 C HETATM 1112 CHB HEM A 102 2.048 3.489 0.582 1.00 1.00 C HETATM 1113 CHC HEM A 102 1.795 -0.531 -2.156 1.00 1.00 C HETATM 1114 CHD HEM A 102 5.106 1.374 -5.244 1.00 1.00 C HETATM 1115 C1A HEM A 102 4.364 5.251 -1.479 1.00 1.00 C HETATM 1116 C2A HEM A 102 4.067 6.267 -0.497 1.00 1.00 C HETATM 1117 C3A HEM A 102 3.182 5.733 0.371 1.00 1.00 C HETATM 1118 C4A HEM A 102 2.922 4.381 -0.064 1.00 1.00 C HETATM 1119 CMA HEM A 102 2.559 6.383 1.572 1.00 1.00 C HETATM 1120 CAA HEM A 102 4.656 7.647 -0.484 1.00 1.00 C HETATM 1121 CBA HEM A 102 4.698 8.317 -1.855 1.00 1.00 C HETATM 1122 CGA HEM A 102 3.975 9.657 -1.832 1.00 1.00 C HETATM 1123 O1A HEM A 102 2.761 9.642 -1.532 1.00 1.00 O HETATM 1124 O2A HEM A 102 4.649 10.671 -2.114 1.00 1.00 O HETATM 1125 C1B HEM A 102 1.706 2.230 0.098 1.00 1.00 C HETATM 1126 C2B HEM A 102 0.769 1.340 0.742 1.00 1.00 C HETATM 1127 C3B HEM A 102 0.696 0.225 -0.015 1.00 1.00 C HETATM 1128 C4B HEM A 102 1.588 0.413 -1.134 1.00 1.00 C HETATM 1129 CMB HEM A 102 0.034 1.642 2.016 1.00 1.00 C HETATM 1130 CAB HEM A 102 -0.137 -1.001 0.223 1.00 1.00 C HETATM 1131 CBB HEM A 102 -1.546 -0.705 0.731 1.00 1.00 C HETATM 1132 C1C HEM A 102 2.710 -0.381 -3.271 1.00 1.00 C HETATM 1133 C2C HEM A 102 3.042 -1.399 -4.240 1.00 1.00 C HETATM 1134 C3C HEM A 102 3.961 -0.868 -5.074 1.00 1.00 C HETATM 1135 C4C HEM A 102 4.206 0.484 -4.630 1.00 1.00 C HETATM 1136 CMC HEM A 102 2.451 -2.778 -4.274 1.00 1.00 C HETATM 1137 CAC HEM A 102 4.627 -1.520 -6.250 1.00 1.00 C HETATM 1138 CBC HEM A 102 3.878 -2.733 -6.794 1.00 1.00 C HETATM 1139 C1D HEM A 102 5.358 2.669 -4.804 1.00 1.00 C HETATM 1140 C2D HEM A 102 6.089 3.657 -5.562 1.00 1.00 C HETATM 1141 C3D HEM A 102 6.129 4.781 -4.817 1.00 1.00 C HETATM 1142 C4D HEM A 102 5.422 4.501 -3.589 1.00 1.00 C HETATM 1143 CMD HEM A 102 6.678 3.430 -6.924 1.00 1.00 C HETATM 1144 CAD HEM A 102 6.772 6.094 -5.157 1.00 1.00 C HETATM 1145 CBD HEM A 102 5.933 6.976 -6.077 1.00 1.00 C HETATM 1146 CGD HEM A 102 4.852 7.710 -5.296 1.00 1.00 C HETATM 1147 O1D HEM A 102 3.940 7.015 -4.799 1.00 1.00 O HETATM 1148 O2D HEM A 102 4.959 8.952 -5.210 1.00 1.00 O HETATM 1149 NA HEM A 102 3.655 4.095 -1.203 1.00 1.00 N HETATM 1150 NB HEM A 102 2.204 1.650 -1.055 1.00 1.00 N HETATM 1151 NC HEM A 102 3.431 0.773 -3.520 1.00 1.00 N HETATM 1152 ND HEM A 102 4.952 3.200 -3.591 1.00 1.00 N HETATM 1153 FE HEM A 102 3.638 2.375 -2.384 1.00 1.00 FE HETATM 0 HMA1 HEM A 102 3.248 7.119 1.986 1.00 1.00 H new HETATM 0 HMA2 HEM A 102 2.343 5.625 2.325 1.00 1.00 H new HETATM 0 HMA3 HEM A 102 1.633 6.878 1.279 1.00 1.00 H new HETATM 0 HMB1 HEM A 102 -0.928 1.130 2.011 1.00 1.00 H new HETATM 0 HMB2 HEM A 102 -0.128 2.717 2.097 1.00 1.00 H new HETATM 0 HMB3 HEM A 102 0.624 1.299 2.866 1.00 1.00 H new HETATM 0 HMC1 HEM A 102 2.426 -3.138 -5.303 1.00 1.00 H new HETATM 0 HMC2 HEM A 102 1.437 -2.749 -3.874 1.00 1.00 H new HETATM 0 HMC3 HEM A 102 3.060 -3.450 -3.670 1.00 1.00 H new HETATM 0 HMD1 HEM A 102 6.688 4.369 -7.477 1.00 1.00 H new HETATM 0 HMD2 HEM A 102 6.077 2.698 -7.463 1.00 1.00 H new HETATM 0 HMD3 HEM A 102 7.697 3.058 -6.822 1.00 1.00 H new HETATM 0 HBB1 HEM A 102 -2.235 -1.525 0.936 1.00 1.00 H new HETATM 0 HBB2 HEM A 102 -1.863 0.326 0.888 1.00 1.00 H new HETATM 0 HBC1 HEM A 102 4.276 -3.281 -7.648 1.00 1.00 H new HETATM 0 HBC2 HEM A 102 2.945 -3.052 -6.328 1.00 1.00 H new HETATM 0 HBA1 HEM A 102 4.237 7.664 -2.597 1.00 1.00 H new HETATM 0 HBA2 HEM A 102 5.734 8.464 -2.160 1.00 1.00 H new HETATM 0 HAA1 HEM A 102 5.669 7.595 -0.085 1.00 1.00 H new HETATM 0 HAA2 HEM A 102 4.077 8.272 0.197 1.00 1.00 H new HETATM 0 HBD1 HEM A 102 5.473 6.364 -6.853 1.00 1.00 H new HETATM 0 HBD2 HEM A 102 6.576 7.698 -6.580 1.00 1.00 H new HETATM 0 HAD1 HEM A 102 7.734 5.903 -5.632 1.00 1.00 H new HETATM 0 HAD2 HEM A 102 6.974 6.638 -4.234 1.00 1.00 H new HETATM 0 HHA HEM A 102 5.826 6.333 -2.570 1.00 1.00 H new HETATM 0 HHB HEM A 102 1.612 3.803 1.519 1.00 1.00 H new HETATM 0 HHC HEM A 102 1.223 -1.446 -2.106 1.00 1.00 H new HETATM 0 HHD HEM A 102 5.638 1.028 -6.118 1.00 1.00 H new HETATM 0 HAB HEM A 102 0.231 -2.012 0.049 1.00 1.00 H new HETATM 0 HAC HEM A 102 5.562 -1.159 -6.678 1.00 1.00 H new HETATM 1154 CHA HEM A 103 -0.590 -2.098 10.487 1.00 1.00 C HETATM 1155 CHB HEM A 103 3.521 -1.748 13.076 1.00 1.00 C HETATM 1156 CHC HEM A 103 5.935 -0.289 9.105 1.00 1.00 C HETATM 1157 CHD HEM A 103 1.652 -0.140 6.632 1.00 1.00 C HETATM 1158 C1A HEM A 103 0.326 -2.113 11.534 1.00 1.00 C HETATM 1159 C2A HEM A 103 -0.004 -2.454 12.897 1.00 1.00 C HETATM 1160 C3A HEM A 103 1.133 -2.358 13.618 1.00 1.00 C HETATM 1161 C4A HEM A 103 2.180 -1.957 12.707 1.00 1.00 C HETATM 1162 CMA HEM A 103 1.322 -2.610 15.085 1.00 1.00 C HETATM 1163 CAA HEM A 103 -1.373 -2.837 13.379 1.00 1.00 C HETATM 1164 CBA HEM A 103 -2.293 -1.649 13.645 1.00 1.00 C HETATM 1165 CGA HEM A 103 -2.814 -1.670 15.075 1.00 1.00 C HETATM 1166 O1A HEM A 103 -2.047 -2.121 15.953 1.00 1.00 O HETATM 1167 O2A HEM A 103 -3.971 -1.234 15.264 1.00 1.00 O HETATM 1168 C1B HEM A 103 4.537 -1.400 12.192 1.00 1.00 C HETATM 1169 C2B HEM A 103 5.944 -1.443 12.515 1.00 1.00 C HETATM 1170 C3B HEM A 103 6.616 -1.039 11.416 1.00 1.00 C HETATM 1171 C4B HEM A 103 5.632 -0.743 10.402 1.00 1.00 C HETATM 1172 CMB HEM A 103 6.508 -1.865 13.840 1.00 1.00 C HETATM 1173 CAB HEM A 103 8.100 -0.909 11.237 1.00 1.00 C HETATM 1174 CBB HEM A 103 8.884 -2.161 11.616 1.00 1.00 C HETATM 1175 C1C HEM A 103 4.945 -0.125 7.999 1.00 1.00 C HETATM 1176 C2C HEM A 103 5.190 0.513 6.728 1.00 1.00 C HETATM 1177 C3C HEM A 103 4.007 0.580 6.082 1.00 1.00 C HETATM 1178 C4C HEM A 103 3.017 -0.017 6.947 1.00 1.00 C HETATM 1179 CMC HEM A 103 6.530 0.997 6.254 1.00 1.00 C HETATM 1180 CAC HEM A 103 3.726 1.155 4.724 1.00 1.00 C HETATM 1181 CBC HEM A 103 4.628 0.609 3.621 1.00 1.00 C HETATM 1182 C1D HEM A 103 0.702 -0.735 7.455 1.00 1.00 C HETATM 1183 C2D HEM A 103 -0.624 -1.111 7.025 1.00 1.00 C HETATM 1184 C3D HEM A 103 -1.248 -1.654 8.092 1.00 1.00 C HETATM 1185 C4D HEM A 103 -0.315 -1.620 9.193 1.00 1.00 C HETATM 1186 CMD HEM A 103 -1.165 -0.915 5.639 1.00 1.00 C HETATM 1187 CAD HEM A 103 -2.644 -2.201 8.166 1.00 1.00 C HETATM 1188 CBD HEM A 103 -3.699 -1.299 7.532 1.00 1.00 C HETATM 1189 CGD HEM A 103 -4.178 -1.867 6.204 1.00 1.00 C HETATM 1190 O1D HEM A 103 -5.403 -1.791 5.963 1.00 1.00 O HETATM 1191 O2D HEM A 103 -3.311 -2.365 5.454 1.00 1.00 O HETATM 1192 NA HEM A 103 1.673 -1.809 11.428 1.00 1.00 N HETATM 1193 NB HEM A 103 4.357 -0.968 10.889 1.00 1.00 N HETATM 1194 NC HEM A 103 3.605 -0.448 8.124 1.00 1.00 N HETATM 1195 ND HEM A 103 0.882 -1.053 8.790 1.00 1.00 N HETATM 1196 FE HEM A 103 2.700 -0.971 9.791 1.00 1.00 FE HETATM 0 HMA1 HEM A 103 0.400 -2.375 15.616 1.00 1.00 H new HETATM 0 HMA2 HEM A 103 2.128 -1.981 15.461 1.00 1.00 H new HETATM 0 HMA3 HEM A 103 1.575 -3.658 15.244 1.00 1.00 H new HETATM 0 HMB1 HEM A 103 5.798 -1.623 14.631 1.00 1.00 H new HETATM 0 HMB2 HEM A 103 7.445 -1.339 14.021 1.00 1.00 H new HETATM 0 HMB3 HEM A 103 6.691 -2.940 13.832 1.00 1.00 H new HETATM 0 HMC1 HEM A 103 7.134 1.293 7.112 1.00 1.00 H new HETATM 0 HMC2 HEM A 103 6.395 1.853 5.592 1.00 1.00 H new HETATM 0 HMC3 HEM A 103 7.035 0.197 5.713 1.00 1.00 H new HETATM 0 HMD1 HEM A 103 -1.894 -1.695 5.419 1.00 1.00 H new HETATM 0 HMD2 HEM A 103 -0.348 -0.968 4.919 1.00 1.00 H new HETATM 0 HMD3 HEM A 103 -1.646 0.061 5.571 1.00 1.00 H new HETATM 0 HBB1 HEM A 103 9.970 -2.173 11.523 1.00 1.00 H new HETATM 0 HBB2 HEM A 103 8.358 -3.044 11.979 1.00 1.00 H new HETATM 0 HBC1 HEM A 103 4.509 0.960 2.596 1.00 1.00 H new HETATM 0 HBC2 HEM A 103 5.392 -0.132 3.858 1.00 1.00 H new HETATM 0 HBA1 HEM A 103 -3.131 -1.671 12.949 1.00 1.00 H new HETATM 0 HBA2 HEM A 103 -1.753 -0.719 13.465 1.00 1.00 H new HETATM 0 HAA1 HEM A 103 -1.275 -3.419 14.295 1.00 1.00 H new HETATM 0 HAA2 HEM A 103 -1.840 -3.486 12.638 1.00 1.00 H new HETATM 0 HBD1 HEM A 103 -3.285 -0.303 7.377 1.00 1.00 H new HETATM 0 HBD2 HEM A 103 -4.545 -1.190 8.211 1.00 1.00 H new HETATM 0 HAD1 HEM A 103 -2.903 -2.367 9.212 1.00 1.00 H new HETATM 0 HAD2 HEM A 103 -2.669 -3.173 7.674 1.00 1.00 H new HETATM 0 HHA HEM A 103 -1.581 -2.480 10.681 1.00 1.00 H new HETATM 0 HHB HEM A 103 3.780 -1.866 14.118 1.00 1.00 H new HETATM 0 HHC HEM A 103 6.964 -0.040 8.893 1.00 1.00 H new HETATM 0 HHD HEM A 103 1.318 0.255 5.684 1.00 1.00 H new HETATM 0 HAB HEM A 103 8.576 -0.000 10.869 1.00 1.00 H new HETATM 0 HAC HEM A 103 2.948 1.896 4.542 1.00 1.00 H new