USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 532 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 130 HEMFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 154 HEMFE :(H bumps) USER MOD NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 130 HEMFE :(H bumps) USER MOD NoAdj-H: A 47 HIS HE2 : A 47 HIS NE2 : A 168 HEMFE :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 154 HEMFE :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 168 HEMFE :(H bumps) USER MOD Set 1.1: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 168 HEM CMA :methyl -30:sc= -0.604 (180deg=-1.13) USER MOD Single : A 1 ALA N :NH3+ -177:sc= 0 (180deg=-0.00881) 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 10 ASN : amide:sc= -4.4! C(o=-4.4!,f=-7.9!) USER MOD Single : A 14 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0682) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -5.33! C(o=-5.3!,f=-7.6!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0652) 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+ -170:sc= 0 (180deg=-0.0486) 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 130 HEM CMA :methyl 150:sc= -0.123 (180deg=-0.123) USER MOD Single : A 130 HEM CMB :methyl -30:sc= -1.27 (180deg=-4.14!) USER MOD Single : A 130 HEM CMC :methyl 150:sc= -0.342 (180deg=-0.342) USER MOD Single : A 130 HEM CMD :methyl 150:sc= -3.63! (180deg=-3.63!) USER MOD Single : A 154 HEM CMA :methyl 150:sc= -0.177 (180deg=-0.177) USER MOD Single : A 154 HEM CMB :methyl 150:sc= -1.13 (180deg=-1.13) USER MOD Single : A 154 HEM CMC :methyl 150:sc= -8.32! (180deg=-8.32!) USER MOD Single : A 154 HEM CMD :methyl 150:sc= -0.14 (180deg=-0.14) USER MOD Single : A 168 HEM CMB :methyl -30:sc= -0.198 (180deg=-1.28) USER MOD Single : A 168 HEM CMC :methyl 150:sc= -7.76! (180deg=-7.76!) USER MOD Single : A 168 HEM CMD :methyl 150:sc= -0.42 (180deg=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.314 13.709 5.669 1.00 0.00 N ATOM 2 CA ALA A 1 4.105 13.749 4.863 1.00 0.00 C ATOM 3 C ALA A 1 3.354 12.424 5.011 1.00 0.00 C ATOM 4 O ALA A 1 2.177 12.410 5.368 1.00 0.00 O ATOM 5 CB ALA A 1 4.471 14.053 3.409 1.00 0.00 C ATOM 0 H1 ALA A 1 5.800 14.626 5.611 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.065 13.511 6.659 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.943 12.961 5.314 1.00 0.00 H new ATOM 0 HA ALA A 1 3.442 14.543 5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.565 14.083 2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.975 15.018 3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.134 13.275 3.030 1.00 0.00 H new ATOM 11 N ASP A 2 4.066 11.343 4.728 1.00 0.00 N ATOM 12 CA ASP A 2 3.481 10.016 4.825 1.00 0.00 C ATOM 13 C ASP A 2 2.471 9.825 3.692 1.00 0.00 C ATOM 14 O ASP A 2 2.566 8.866 2.927 1.00 0.00 O ATOM 15 CB ASP A 2 2.743 9.835 6.153 1.00 0.00 C ATOM 16 CG ASP A 2 3.089 10.864 7.231 1.00 0.00 C ATOM 17 OD1 ASP A 2 2.228 11.639 7.675 1.00 0.00 O ATOM 18 OD2 ASP A 2 4.318 10.852 7.622 1.00 0.00 O ATOM 0 H ASP A 2 5.042 11.359 4.432 1.00 0.00 H new ATOM 0 HA ASP A 2 4.288 9.286 4.759 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.670 9.876 5.964 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.960 8.839 6.539 1.00 0.00 H new ATOM 24 N ASP A 3 1.527 10.752 3.621 1.00 0.00 N ATOM 25 CA ASP A 3 0.501 10.697 2.594 1.00 0.00 C ATOM 26 C ASP A 3 1.165 10.606 1.219 1.00 0.00 C ATOM 27 O ASP A 3 1.940 11.483 0.840 1.00 0.00 O ATOM 28 CB ASP A 3 -0.368 11.956 2.616 1.00 0.00 C ATOM 29 CG ASP A 3 -0.497 12.629 3.985 1.00 0.00 C ATOM 30 OD1 ASP A 3 -0.047 13.768 4.181 1.00 0.00 O ATOM 31 OD2 ASP A 3 -1.096 11.925 4.884 1.00 0.00 O ATOM 0 H ASP A 3 1.451 11.545 4.258 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.122 9.824 2.787 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.045 12.677 1.911 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.365 11.697 2.260 1.00 0.00 H new ATOM 37 N ILE A 4 0.838 9.536 0.509 1.00 0.00 N ATOM 38 CA ILE A 4 1.393 9.319 -0.816 1.00 0.00 C ATOM 39 C ILE A 4 0.266 8.950 -1.783 1.00 0.00 C ATOM 40 O ILE A 4 -0.530 8.056 -1.501 1.00 0.00 O ATOM 41 CB ILE A 4 2.520 8.286 -0.762 1.00 0.00 C ATOM 42 CG1 ILE A 4 3.729 8.832 0.000 1.00 0.00 C ATOM 43 CG2 ILE A 4 2.896 7.810 -2.167 1.00 0.00 C ATOM 44 CD1 ILE A 4 4.765 7.733 0.246 1.00 0.00 C ATOM 0 H ILE A 4 0.196 8.810 0.827 1.00 0.00 H new ATOM 0 HA ILE A 4 1.849 10.235 -1.192 1.00 0.00 H new ATOM 0 HB ILE A 4 2.159 7.416 -0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.184 9.645 -0.567 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.404 9.250 0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.699 7.076 -2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.027 7.354 -2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.230 8.660 -2.762 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.614 8.148 0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.314 6.933 0.833 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.106 7.334 -0.709 1.00 0.00 H new ATOM 56 N VAL A 5 0.235 9.657 -2.903 1.00 0.00 N ATOM 57 CA VAL A 5 -0.781 9.415 -3.912 1.00 0.00 C ATOM 58 C VAL A 5 -0.198 8.530 -5.016 1.00 0.00 C ATOM 59 O VAL A 5 0.791 8.894 -5.650 1.00 0.00 O ATOM 60 CB VAL A 5 -1.324 10.745 -4.438 1.00 0.00 C ATOM 61 CG1 VAL A 5 -2.325 10.519 -5.573 1.00 0.00 C ATOM 62 CG2 VAL A 5 -1.952 11.566 -3.309 1.00 0.00 C ATOM 0 H VAL A 5 0.897 10.398 -3.134 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.627 8.881 -3.480 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.485 11.313 -4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.695 11.481 -5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.834 9.994 -6.392 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.160 9.921 -5.208 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.330 12.506 -3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.774 11.005 -2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.200 11.772 -2.548 1.00 0.00 H new ATOM 72 N LEU A 6 -0.834 7.384 -5.210 1.00 0.00 N ATOM 73 CA LEU A 6 -0.390 6.444 -6.225 1.00 0.00 C ATOM 74 C LEU A 6 -1.234 6.628 -7.488 1.00 0.00 C ATOM 75 O LEU A 6 -2.357 6.130 -7.566 1.00 0.00 O ATOM 76 CB LEU A 6 -0.406 5.016 -5.677 1.00 0.00 C ATOM 77 CG LEU A 6 0.524 4.741 -4.494 1.00 0.00 C ATOM 78 CD1 LEU A 6 0.093 3.483 -3.738 1.00 0.00 C ATOM 79 CD2 LEU A 6 1.983 4.665 -4.949 1.00 0.00 C ATOM 0 H LEU A 6 -1.653 7.085 -4.681 1.00 0.00 H new ATOM 0 HA LEU A 6 0.646 6.643 -6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.425 4.775 -5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.143 4.335 -6.486 1.00 0.00 H new ATOM 0 HG LEU A 6 0.447 5.577 -3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.771 3.311 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.921 3.614 -3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.122 2.626 -4.411 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.623 4.469 -4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.096 3.861 -5.676 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.271 5.611 -5.407 1.00 0.00 H new ATOM 91 N LYS A 7 -0.662 7.343 -8.445 1.00 0.00 N ATOM 92 CA LYS A 7 -1.348 7.598 -9.700 1.00 0.00 C ATOM 93 C LYS A 7 -1.843 6.273 -10.285 1.00 0.00 C ATOM 94 O LYS A 7 -1.093 5.301 -10.349 1.00 0.00 O ATOM 95 CB LYS A 7 -0.449 8.392 -10.650 1.00 0.00 C ATOM 96 CG LYS A 7 -0.202 9.805 -10.119 1.00 0.00 C ATOM 97 CD LYS A 7 1.290 10.142 -10.129 1.00 0.00 C ATOM 98 CE LYS A 7 1.995 9.548 -8.908 1.00 0.00 C ATOM 99 NZ LYS A 7 3.124 10.409 -8.491 1.00 0.00 N ATOM 0 H LYS A 7 0.269 7.754 -8.377 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.227 8.221 -9.534 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.502 7.875 -10.773 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.913 8.446 -11.635 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.745 10.527 -10.729 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.591 9.889 -9.104 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.747 9.757 -11.040 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.422 11.224 -10.139 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.286 9.444 -8.086 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.360 8.548 -9.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.591 9.991 -7.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.808 10.487 -9.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.768 11.355 -8.248 1.00 0.00 H new ATOM 112 N ALA A 8 -3.102 6.279 -10.696 1.00 0.00 N ATOM 113 CA ALA A 8 -3.706 5.089 -11.273 1.00 0.00 C ATOM 114 C ALA A 8 -4.627 5.498 -12.425 1.00 0.00 C ATOM 115 O ALA A 8 -5.305 6.521 -12.349 1.00 0.00 O ATOM 116 CB ALA A 8 -4.445 4.312 -10.183 1.00 0.00 C ATOM 0 H ALA A 8 -3.721 7.088 -10.641 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.941 4.429 -11.681 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.898 3.420 -10.616 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.741 4.020 -9.403 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.224 4.941 -9.752 1.00 0.00 H new ATOM 122 N LYS A 9 -4.621 4.676 -13.464 1.00 0.00 N ATOM 123 CA LYS A 9 -5.448 4.939 -14.630 1.00 0.00 C ATOM 124 C LYS A 9 -6.874 4.457 -14.358 1.00 0.00 C ATOM 125 O LYS A 9 -7.718 4.465 -15.253 1.00 0.00 O ATOM 126 CB LYS A 9 -4.820 4.323 -15.882 1.00 0.00 C ATOM 127 CG LYS A 9 -4.849 2.795 -15.815 1.00 0.00 C ATOM 128 CD LYS A 9 -4.974 2.187 -17.214 1.00 0.00 C ATOM 129 CE LYS A 9 -6.421 2.245 -17.709 1.00 0.00 C ATOM 130 NZ LYS A 9 -6.821 0.945 -18.293 1.00 0.00 N ATOM 0 H LYS A 9 -4.057 3.828 -13.523 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.504 6.010 -14.823 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.358 4.662 -16.767 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.791 4.667 -15.983 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.940 2.431 -15.336 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.686 2.470 -15.197 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.327 2.724 -17.907 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.633 1.152 -17.197 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.085 2.499 -16.882 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.525 3.033 -18.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.805 1.001 -18.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.199 0.718 -19.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.741 0.201 -17.571 1.00 0.00 H new ATOM 143 N ASN A 10 -7.100 4.049 -13.118 1.00 0.00 N ATOM 144 CA ASN A 10 -8.410 3.565 -12.716 1.00 0.00 C ATOM 145 C ASN A 10 -8.753 4.123 -11.333 1.00 0.00 C ATOM 146 O ASN A 10 -9.434 3.466 -10.547 1.00 0.00 O ATOM 147 CB ASN A 10 -8.430 2.038 -12.628 1.00 0.00 C ATOM 148 CG ASN A 10 -7.719 1.552 -11.363 1.00 0.00 C ATOM 149 OD1 ASN A 10 -6.603 1.942 -11.058 1.00 0.00 O ATOM 150 ND2 ASN A 10 -8.425 0.683 -10.646 1.00 0.00 N ATOM 0 H ASN A 10 -6.398 4.044 -12.378 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.134 3.893 -13.462 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.461 1.684 -12.629 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -7.946 1.613 -13.507 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -8.038 0.300 -9.783 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.353 0.399 -10.959 1.00 0.00 H new ATOM 157 N GLY A 11 -8.267 5.329 -11.080 1.00 0.00 N ATOM 158 CA GLY A 11 -8.514 5.983 -9.806 1.00 0.00 C ATOM 159 C GLY A 11 -7.270 5.937 -8.916 1.00 0.00 C ATOM 160 O GLY A 11 -6.760 4.860 -8.610 1.00 0.00 O ATOM 0 H GLY A 11 -7.703 5.871 -11.735 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.806 7.019 -9.976 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.347 5.496 -9.299 1.00 0.00 H new ATOM 164 N ASP A 12 -6.817 7.119 -8.526 1.00 0.00 N ATOM 165 CA ASP A 12 -5.642 7.228 -7.677 1.00 0.00 C ATOM 166 C ASP A 12 -5.905 6.506 -6.354 1.00 0.00 C ATOM 167 O ASP A 12 -7.056 6.329 -5.958 1.00 0.00 O ATOM 168 CB ASP A 12 -5.324 8.691 -7.362 1.00 0.00 C ATOM 169 CG ASP A 12 -6.341 9.395 -6.462 1.00 0.00 C ATOM 170 OD1 ASP A 12 -6.074 9.658 -5.280 1.00 0.00 O ATOM 171 OD2 ASP A 12 -7.465 9.679 -7.029 1.00 0.00 O ATOM 0 H ASP A 12 -7.242 8.010 -8.782 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.801 6.782 -8.207 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.345 8.740 -6.886 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.250 9.241 -8.300 1.00 0.00 H new ATOM 177 N VAL A 13 -4.820 6.109 -5.707 1.00 0.00 N ATOM 178 CA VAL A 13 -4.919 5.410 -4.437 1.00 0.00 C ATOM 179 C VAL A 13 -4.195 6.218 -3.358 1.00 0.00 C ATOM 180 O VAL A 13 -3.015 6.533 -3.500 1.00 0.00 O ATOM 181 CB VAL A 13 -4.379 3.986 -4.580 1.00 0.00 C ATOM 182 CG1 VAL A 13 -4.514 3.214 -3.266 1.00 0.00 C ATOM 183 CG2 VAL A 13 -5.078 3.247 -5.724 1.00 0.00 C ATOM 0 H VAL A 13 -3.867 6.258 -6.038 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.961 5.319 -4.131 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.318 4.053 -4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.123 2.205 -3.395 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.951 3.724 -2.485 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.565 3.162 -2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.676 2.237 -5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.148 3.196 -5.524 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.908 3.781 -6.659 1.00 0.00 H new ATOM 193 N LYS A 14 -4.933 6.530 -2.303 1.00 0.00 N ATOM 194 CA LYS A 14 -4.377 7.295 -1.200 1.00 0.00 C ATOM 195 C LYS A 14 -3.756 6.336 -0.182 1.00 0.00 C ATOM 196 O LYS A 14 -4.468 5.589 0.487 1.00 0.00 O ATOM 197 CB LYS A 14 -5.437 8.223 -0.603 1.00 0.00 C ATOM 198 CG LYS A 14 -4.788 9.346 0.208 1.00 0.00 C ATOM 199 CD LYS A 14 -4.131 8.797 1.476 1.00 0.00 C ATOM 200 CE LYS A 14 -3.734 9.932 2.423 1.00 0.00 C ATOM 201 NZ LYS A 14 -4.927 10.467 3.118 1.00 0.00 N ATOM 0 H LYS A 14 -5.912 6.267 -2.189 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.578 7.947 -1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.043 8.650 -1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.109 7.650 0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.041 9.855 -0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.540 10.088 0.476 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.819 8.120 1.982 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.249 8.215 1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.012 9.568 3.154 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.245 10.728 1.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.626 11.087 3.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.506 11.011 2.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.489 9.679 3.500 1.00 0.00 H new ATOM 214 N PHE A 15 -2.435 6.389 -0.097 1.00 0.00 N ATOM 215 CA PHE A 15 -1.709 5.534 0.827 1.00 0.00 C ATOM 216 C PHE A 15 -1.059 6.359 1.940 1.00 0.00 C ATOM 217 O PHE A 15 -0.207 7.213 1.706 1.00 0.00 O ATOM 218 CB PHE A 15 -0.615 4.832 0.022 1.00 0.00 C ATOM 219 CG PHE A 15 0.312 3.953 0.866 1.00 0.00 C ATOM 220 CD1 PHE A 15 -0.196 2.898 1.558 1.00 0.00 C ATOM 221 CD2 PHE A 15 1.642 4.228 0.924 1.00 0.00 C ATOM 222 CE1 PHE A 15 0.663 2.083 2.341 1.00 0.00 C ATOM 223 CE2 PHE A 15 2.502 3.412 1.707 1.00 0.00 C ATOM 224 CZ PHE A 15 1.994 2.357 2.399 1.00 0.00 C ATOM 0 H PHE A 15 -1.848 7.011 -0.653 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.392 4.822 1.291 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.082 4.216 -0.747 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.017 5.584 -0.492 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.253 2.680 1.512 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.045 5.066 0.375 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.260 1.245 2.891 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.559 3.629 1.753 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.648 1.737 2.995 1.00 0.00 H new ATOM 234 N PRO A 16 -1.486 6.078 3.173 1.00 0.00 N ATOM 235 CA PRO A 16 -1.006 6.733 4.371 1.00 0.00 C ATOM 236 C PRO A 16 0.287 6.075 4.831 1.00 0.00 C ATOM 237 O PRO A 16 0.223 5.058 5.520 1.00 0.00 O ATOM 238 CB PRO A 16 -2.118 6.532 5.399 1.00 0.00 C ATOM 239 CG PRO A 16 -2.801 5.285 4.964 1.00 0.00 C ATOM 240 CD PRO A 16 -2.486 5.080 3.484 1.00 0.00 C ATOM 0 HA PRO A 16 -0.788 7.790 4.218 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.715 6.434 6.407 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.805 7.378 5.412 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.455 4.434 5.551 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.877 5.363 5.119 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.111 4.074 3.296 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.377 5.209 2.869 1.00 0.00 H new ATOM 248 N HIS A 17 1.416 6.653 4.448 1.00 0.00 N ATOM 249 CA HIS A 17 2.705 6.103 4.831 1.00 0.00 C ATOM 250 C HIS A 17 3.026 6.503 6.272 1.00 0.00 C ATOM 251 O HIS A 17 4.122 6.983 6.557 1.00 0.00 O ATOM 252 CB HIS A 17 3.793 6.527 3.841 1.00 0.00 C ATOM 253 CG HIS A 17 5.136 5.884 4.091 1.00 0.00 C ATOM 254 ND1 HIS A 17 5.991 6.302 5.096 1.00 0.00 N ATOM 255 CD2 HIS A 17 5.760 4.850 3.459 1.00 0.00 C ATOM 256 CE1 HIS A 17 7.079 5.547 5.059 1.00 0.00 C ATOM 257 NE2 HIS A 17 6.935 4.648 4.044 1.00 0.00 N ATOM 0 H HIS A 17 1.465 7.496 3.877 1.00 0.00 H new ATOM 0 HA HIS A 17 2.665 5.014 4.793 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.466 6.281 2.831 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.907 7.610 3.884 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.814 7.062 5.753 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.366 4.290 2.624 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.931 5.629 5.718 1.00 0.00 H new ATOM 265 N LYS A 18 2.050 6.292 7.142 1.00 0.00 N ATOM 266 CA LYS A 18 2.215 6.624 8.547 1.00 0.00 C ATOM 267 C LYS A 18 1.618 5.507 9.405 1.00 0.00 C ATOM 268 O LYS A 18 2.347 4.787 10.087 1.00 0.00 O ATOM 269 CB LYS A 18 1.628 8.006 8.842 1.00 0.00 C ATOM 270 CG LYS A 18 1.557 8.261 10.350 1.00 0.00 C ATOM 271 CD LYS A 18 2.900 8.763 10.884 1.00 0.00 C ATOM 272 CE LYS A 18 2.727 9.451 12.240 1.00 0.00 C ATOM 273 NZ LYS A 18 3.603 10.641 12.332 1.00 0.00 N ATOM 0 H LYS A 18 1.142 5.895 6.901 1.00 0.00 H new ATOM 0 HA LYS A 18 3.273 6.690 8.801 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.240 8.774 8.368 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.630 8.081 8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.780 8.995 10.562 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.277 7.342 10.865 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.592 7.927 10.982 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.341 9.460 10.172 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.687 9.747 12.375 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.966 8.753 13.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.474 11.096 13.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.596 10.350 12.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.356 11.313 11.578 1.00 0.00 H new ATOM 286 N ALA A 19 0.300 5.397 9.343 1.00 0.00 N ATOM 287 CA ALA A 19 -0.403 4.379 10.106 1.00 0.00 C ATOM 288 C ALA A 19 0.193 3.006 9.786 1.00 0.00 C ATOM 289 O ALA A 19 0.077 2.075 10.581 1.00 0.00 O ATOM 290 CB ALA A 19 -1.900 4.451 9.797 1.00 0.00 C ATOM 0 H ALA A 19 -0.300 5.996 8.776 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.283 4.550 11.176 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.427 3.687 10.369 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.281 5.435 10.069 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.060 4.281 8.732 1.00 0.00 H new ATOM 296 N HIS A 20 0.818 2.925 8.621 1.00 0.00 N ATOM 297 CA HIS A 20 1.432 1.681 8.186 1.00 0.00 C ATOM 298 C HIS A 20 2.784 1.507 8.880 1.00 0.00 C ATOM 299 O HIS A 20 3.495 0.536 8.627 1.00 0.00 O ATOM 300 CB HIS A 20 1.537 1.632 6.661 1.00 0.00 C ATOM 301 CG HIS A 20 0.241 1.290 5.966 1.00 0.00 C ATOM 302 ND1 HIS A 20 -0.675 2.250 5.572 1.00 0.00 N ATOM 303 CD2 HIS A 20 -0.283 0.085 5.600 1.00 0.00 C ATOM 304 CE1 HIS A 20 -1.700 1.640 4.996 1.00 0.00 C ATOM 305 NE2 HIS A 20 -1.456 0.298 5.015 1.00 0.00 N ATOM 0 H HIS A 20 0.913 3.700 7.965 1.00 0.00 H new ATOM 0 HA HIS A 20 0.803 0.839 8.476 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.886 2.599 6.300 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.292 0.896 6.383 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -0.577 3.257 5.703 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.178 -0.879 5.759 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.575 2.121 4.584 1.00 0.00 H new ATOM 313 N GLN A 21 3.099 2.464 9.741 1.00 0.00 N ATOM 314 CA GLN A 21 4.353 2.428 10.473 1.00 0.00 C ATOM 315 C GLN A 21 4.142 1.817 11.860 1.00 0.00 C ATOM 316 O GLN A 21 4.823 0.862 12.232 1.00 0.00 O ATOM 317 CB GLN A 21 4.967 3.826 10.578 1.00 0.00 C ATOM 318 CG GLN A 21 5.356 4.359 9.198 1.00 0.00 C ATOM 319 CD GLN A 21 5.500 5.882 9.219 1.00 0.00 C ATOM 320 OE1 GLN A 21 5.098 6.556 10.153 1.00 0.00 O ATOM 321 NE2 GLN A 21 6.094 6.384 8.140 1.00 0.00 N ATOM 0 H GLN A 21 2.507 3.269 9.948 1.00 0.00 H new ATOM 0 HA GLN A 21 5.053 1.799 9.923 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.255 4.505 11.047 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.847 3.793 11.220 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.295 3.906 8.881 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.600 4.072 8.467 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.407 5.762 7.394 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.237 7.391 8.058 1.00 0.00 H new ATOM 330 N LYS A 22 3.196 2.392 12.587 1.00 0.00 N ATOM 331 CA LYS A 22 2.886 1.916 13.925 1.00 0.00 C ATOM 332 C LYS A 22 2.253 0.526 13.832 1.00 0.00 C ATOM 333 O LYS A 22 2.328 -0.258 14.778 1.00 0.00 O ATOM 334 CB LYS A 22 2.023 2.936 14.670 1.00 0.00 C ATOM 335 CG LYS A 22 2.844 4.167 15.061 1.00 0.00 C ATOM 336 CD LYS A 22 3.282 4.090 16.525 1.00 0.00 C ATOM 337 CE LYS A 22 2.869 5.351 17.288 1.00 0.00 C ATOM 338 NZ LYS A 22 3.021 5.148 18.746 1.00 0.00 N ATOM 0 H LYS A 22 2.633 3.184 12.275 1.00 0.00 H new ATOM 0 HA LYS A 22 3.797 1.814 14.514 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.186 3.238 14.041 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.601 2.477 15.564 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.721 4.243 14.419 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.253 5.069 14.901 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.837 3.214 16.996 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.364 3.966 16.579 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.480 6.194 16.967 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.834 5.601 17.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.737 6.013 19.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.419 4.357 19.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.014 4.931 18.965 1.00 0.00 H new ATOM 351 N ALA A 23 1.646 0.262 12.685 1.00 0.00 N ATOM 352 CA ALA A 23 1.001 -1.020 12.457 1.00 0.00 C ATOM 353 C ALA A 23 2.049 -2.040 12.008 1.00 0.00 C ATOM 354 O ALA A 23 1.897 -3.237 12.248 1.00 0.00 O ATOM 355 CB ALA A 23 -0.124 -0.851 11.434 1.00 0.00 C ATOM 0 H ALA A 23 1.587 0.914 11.903 1.00 0.00 H new ATOM 0 HA ALA A 23 0.551 -1.393 13.377 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.608 -1.813 11.263 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.857 -0.139 11.813 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.290 -0.481 10.496 1.00 0.00 H new ATOM 361 N VAL A 24 3.088 -1.530 11.365 1.00 0.00 N ATOM 362 CA VAL A 24 4.161 -2.382 10.881 1.00 0.00 C ATOM 363 C VAL A 24 5.503 -1.681 11.102 1.00 0.00 C ATOM 364 O VAL A 24 6.227 -1.347 10.167 1.00 0.00 O ATOM 365 CB VAL A 24 3.914 -2.752 9.417 1.00 0.00 C ATOM 366 CG1 VAL A 24 5.018 -3.672 8.891 1.00 0.00 C ATOM 367 CG2 VAL A 24 2.536 -3.391 9.237 1.00 0.00 C ATOM 0 H VAL A 24 3.210 -0.537 11.168 1.00 0.00 H new ATOM 0 HA VAL A 24 4.188 -3.318 11.440 1.00 0.00 H new ATOM 0 HB VAL A 24 3.935 -1.833 8.831 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.819 -3.920 7.848 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.980 -3.165 8.966 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.042 -4.587 9.483 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.387 -3.644 8.187 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.473 -4.296 9.841 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.765 -2.689 9.554 1.00 0.00 H new ATOM 377 N PRO A 25 5.821 -1.464 12.381 1.00 0.00 N ATOM 378 CA PRO A 25 7.040 -0.819 12.819 1.00 0.00 C ATOM 379 C PRO A 25 8.210 -1.317 11.983 1.00 0.00 C ATOM 380 O PRO A 25 9.191 -0.589 11.842 1.00 0.00 O ATOM 381 CB PRO A 25 7.197 -1.232 14.281 1.00 0.00 C ATOM 382 CG PRO A 25 5.752 -1.355 14.736 1.00 0.00 C ATOM 383 CD PRO A 25 4.993 -1.843 13.505 1.00 0.00 C ATOM 0 HA PRO A 25 7.010 0.265 12.710 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.737 -2.173 14.383 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.744 -0.486 14.858 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.657 -2.058 15.563 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.365 -0.398 15.085 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.841 -2.922 13.537 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.007 -1.384 13.441 1.00 0.00 H new ATOM 391 N ASP A 26 8.091 -2.526 11.456 1.00 0.00 N ATOM 392 CA ASP A 26 9.151 -3.096 10.642 1.00 0.00 C ATOM 393 C ASP A 26 9.086 -2.500 9.235 1.00 0.00 C ATOM 394 O ASP A 26 8.120 -2.724 8.506 1.00 0.00 O ATOM 395 CB ASP A 26 8.998 -4.613 10.520 1.00 0.00 C ATOM 396 CG ASP A 26 10.066 -5.306 9.672 1.00 0.00 C ATOM 397 OD1 ASP A 26 10.939 -4.650 9.084 1.00 0.00 O ATOM 398 OD2 ASP A 26 9.976 -6.592 9.625 1.00 0.00 O ATOM 0 H ASP A 26 7.276 -3.127 11.577 1.00 0.00 H new ATOM 0 HA ASP A 26 10.103 -2.867 11.122 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.013 -5.046 11.520 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.019 -4.831 10.093 1.00 0.00 H new ATOM 404 N CYS A 27 10.125 -1.751 8.895 1.00 0.00 N ATOM 405 CA CYS A 27 10.197 -1.121 7.588 1.00 0.00 C ATOM 406 C CYS A 27 10.807 -2.122 6.604 1.00 0.00 C ATOM 407 O CYS A 27 10.695 -1.953 5.391 1.00 0.00 O ATOM 408 CB CYS A 27 10.989 0.188 7.634 1.00 0.00 C ATOM 409 SG CYS A 27 10.800 1.145 9.182 1.00 0.00 S ATOM 0 H CYS A 27 10.924 -1.566 9.502 1.00 0.00 H new ATOM 0 HA CYS A 27 9.194 -0.852 7.256 1.00 0.00 H new ATOM 0 HB2 CYS A 27 12.046 -0.038 7.490 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.679 0.813 6.797 1.00 0.00 H new ATOM 414 N LYS A 28 11.439 -3.143 7.165 1.00 0.00 N ATOM 415 CA LYS A 28 12.066 -4.172 6.352 1.00 0.00 C ATOM 416 C LYS A 28 10.988 -5.101 5.792 1.00 0.00 C ATOM 417 O LYS A 28 11.283 -5.989 4.994 1.00 0.00 O ATOM 418 CB LYS A 28 13.150 -4.898 7.151 1.00 0.00 C ATOM 419 CG LYS A 28 14.236 -3.924 7.614 1.00 0.00 C ATOM 420 CD LYS A 28 15.625 -4.554 7.494 1.00 0.00 C ATOM 421 CE LYS A 28 16.395 -4.438 8.811 1.00 0.00 C ATOM 422 NZ LYS A 28 17.436 -5.487 8.896 1.00 0.00 N ATOM 0 H LYS A 28 11.530 -3.280 8.172 1.00 0.00 H new ATOM 0 HA LYS A 28 12.576 -3.726 5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.703 -5.387 8.016 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.596 -5.681 6.537 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.193 -3.014 7.015 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.052 -3.634 8.649 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.529 -5.604 7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.184 -4.063 6.697 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.856 -3.453 8.884 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.707 -4.531 9.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.949 -5.394 9.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.989 -6.425 8.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 18.102 -5.380 8.105 1.00 0.00 H new ATOM 435 N LYS A 29 9.761 -4.865 6.232 1.00 0.00 N ATOM 436 CA LYS A 29 8.637 -5.670 5.785 1.00 0.00 C ATOM 437 C LYS A 29 8.387 -5.408 4.298 1.00 0.00 C ATOM 438 O LYS A 29 8.326 -6.343 3.501 1.00 0.00 O ATOM 439 CB LYS A 29 7.413 -5.420 6.668 1.00 0.00 C ATOM 440 CG LYS A 29 7.294 -6.488 7.756 1.00 0.00 C ATOM 441 CD LYS A 29 6.859 -7.830 7.163 1.00 0.00 C ATOM 442 CE LYS A 29 5.740 -8.460 7.994 1.00 0.00 C ATOM 443 NZ LYS A 29 6.256 -9.606 8.774 1.00 0.00 N ATOM 0 H LYS A 29 9.520 -4.127 6.894 1.00 0.00 H new ATOM 0 HA LYS A 29 8.864 -6.731 5.889 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.487 -4.434 7.128 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.512 -5.419 6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.252 -6.604 8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.572 -6.168 8.508 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.518 -7.685 6.138 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.712 -8.507 7.122 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.316 -7.715 8.668 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.935 -8.792 7.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.483 -10.022 9.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.639 -10.323 8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.009 -9.280 9.413 1.00 0.00 H new ATOM 456 N CYS A 30 8.250 -4.132 3.970 1.00 0.00 N ATOM 457 CA CYS A 30 8.008 -3.734 2.594 1.00 0.00 C ATOM 458 C CYS A 30 9.352 -3.391 1.950 1.00 0.00 C ATOM 459 O CYS A 30 9.693 -3.922 0.894 1.00 0.00 O ATOM 460 CB CYS A 30 7.019 -2.570 2.506 1.00 0.00 C ATOM 461 SG CYS A 30 5.600 -2.869 3.622 1.00 0.00 S ATOM 0 H CYS A 30 8.302 -3.360 4.634 1.00 0.00 H new ATOM 0 HA CYS A 30 7.546 -4.558 2.051 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.516 -1.639 2.777 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.668 -2.457 1.480 1.00 0.00 H new ATOM 466 N HIS A 31 10.081 -2.504 2.612 1.00 0.00 N ATOM 467 CA HIS A 31 11.380 -2.084 2.118 1.00 0.00 C ATOM 468 C HIS A 31 12.388 -3.223 2.288 1.00 0.00 C ATOM 469 O HIS A 31 12.839 -3.496 3.399 1.00 0.00 O ATOM 470 CB HIS A 31 11.828 -0.789 2.800 1.00 0.00 C ATOM 471 CG HIS A 31 10.894 0.377 2.577 1.00 0.00 C ATOM 472 ND1 HIS A 31 10.650 0.913 1.325 1.00 0.00 N ATOM 473 CD2 HIS A 31 10.148 1.102 3.459 1.00 0.00 C ATOM 474 CE1 HIS A 31 9.795 1.916 1.460 1.00 0.00 C ATOM 475 NE2 HIS A 31 9.485 2.032 2.783 1.00 0.00 N ATOM 0 H HIS A 31 9.796 -2.065 3.487 1.00 0.00 H new ATOM 0 HA HIS A 31 11.313 -1.861 1.053 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.920 -0.968 3.871 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.820 -0.522 2.435 1.00 0.00 H new ATOM 0 HD1 HIS A 31 11.059 0.591 0.448 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.104 0.946 4.527 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.411 2.534 0.662 1.00 0.00 H new ATOM 483 N GLU A 32 12.710 -3.856 1.171 1.00 0.00 N ATOM 484 CA GLU A 32 13.656 -4.960 1.182 1.00 0.00 C ATOM 485 C GLU A 32 15.089 -4.432 1.087 1.00 0.00 C ATOM 486 O GLU A 32 15.950 -4.817 1.876 1.00 0.00 O ATOM 487 CB GLU A 32 13.360 -5.948 0.052 1.00 0.00 C ATOM 488 CG GLU A 32 12.460 -7.085 0.540 1.00 0.00 C ATOM 489 CD GLU A 32 11.194 -7.188 -0.314 1.00 0.00 C ATOM 490 OE1 GLU A 32 11.101 -8.070 -1.180 1.00 0.00 O ATOM 491 OE2 GLU A 32 10.287 -6.309 -0.052 1.00 0.00 O ATOM 0 H GLU A 32 12.333 -3.626 0.251 1.00 0.00 H new ATOM 0 HA GLU A 32 13.548 -5.495 2.125 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.877 -5.427 -0.775 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.294 -6.358 -0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.006 -8.028 0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.187 -6.916 1.582 1.00 0.00 H new ATOM 499 N LYS A 33 15.300 -3.557 0.114 1.00 0.00 N ATOM 500 CA LYS A 33 16.614 -2.972 -0.094 1.00 0.00 C ATOM 501 C LYS A 33 16.715 -1.664 0.692 1.00 0.00 C ATOM 502 O LYS A 33 17.468 -0.766 0.316 1.00 0.00 O ATOM 503 CB LYS A 33 16.899 -2.815 -1.589 1.00 0.00 C ATOM 504 CG LYS A 33 16.940 -4.177 -2.286 1.00 0.00 C ATOM 505 CD LYS A 33 18.172 -4.296 -3.186 1.00 0.00 C ATOM 506 CE LYS A 33 17.809 -4.931 -4.529 1.00 0.00 C ATOM 507 NZ LYS A 33 19.011 -5.057 -5.384 1.00 0.00 N ATOM 0 H LYS A 33 14.583 -3.239 -0.539 1.00 0.00 H new ATOM 0 HA LYS A 33 17.391 -3.634 0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.130 -2.192 -2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.850 -2.302 -1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.953 -4.971 -1.540 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.037 -4.313 -2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.603 -3.309 -3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.933 -4.897 -2.689 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.367 -5.914 -4.366 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.058 -4.324 -5.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.747 -5.490 -6.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.416 -4.114 -5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.715 -5.655 -4.907 1.00 0.00 H new ATOM 520 N GLY A 34 15.947 -1.597 1.769 1.00 0.00 N ATOM 521 CA GLY A 34 15.941 -0.413 2.612 1.00 0.00 C ATOM 522 C GLY A 34 14.909 0.604 2.121 1.00 0.00 C ATOM 523 O GLY A 34 14.301 0.458 1.063 1.00 0.00 O ATOM 0 H GLY A 34 15.324 -2.343 2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.717 -0.696 3.641 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.932 0.041 2.614 1.00 0.00 H new ATOM 527 N PRO A 35 14.723 1.653 2.925 1.00 0.00 N ATOM 528 CA PRO A 35 13.799 2.734 2.657 1.00 0.00 C ATOM 529 C PRO A 35 14.054 3.289 1.263 1.00 0.00 C ATOM 530 O PRO A 35 15.213 3.375 0.861 1.00 0.00 O ATOM 531 CB PRO A 35 14.100 3.781 3.727 1.00 0.00 C ATOM 532 CG PRO A 35 15.527 3.372 4.327 1.00 0.00 C ATOM 533 CD PRO A 35 15.421 1.856 4.177 1.00 0.00 C ATOM 0 HA PRO A 35 12.756 2.419 2.688 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.125 4.784 3.300 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.333 3.784 4.502 1.00 0.00 H new ATOM 0 HG2 PRO A 35 16.358 3.794 3.762 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.654 3.685 5.363 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.407 1.391 4.160 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.875 1.414 5.010 1.00 0.00 H new ATOM 541 N GLY A 36 12.988 3.647 0.563 1.00 0.00 N ATOM 542 CA GLY A 36 13.121 4.187 -0.780 1.00 0.00 C ATOM 543 C GLY A 36 12.090 3.567 -1.725 1.00 0.00 C ATOM 544 O GLY A 36 11.254 2.770 -1.301 1.00 0.00 O ATOM 0 H GLY A 36 12.028 3.574 0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.992 5.269 -0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 36 14.126 3.994 -1.155 1.00 0.00 H new ATOM 548 N LYS A 37 12.183 3.957 -2.988 1.00 0.00 N ATOM 549 CA LYS A 37 11.268 3.449 -3.997 1.00 0.00 C ATOM 550 C LYS A 37 11.409 1.928 -4.087 1.00 0.00 C ATOM 551 O LYS A 37 12.477 1.383 -3.816 1.00 0.00 O ATOM 552 CB LYS A 37 11.489 4.167 -5.330 1.00 0.00 C ATOM 553 CG LYS A 37 10.683 5.466 -5.393 1.00 0.00 C ATOM 554 CD LYS A 37 11.595 6.685 -5.239 1.00 0.00 C ATOM 555 CE LYS A 37 11.614 7.521 -6.520 1.00 0.00 C ATOM 556 NZ LYS A 37 10.367 8.309 -6.643 1.00 0.00 N ATOM 0 H LYS A 37 12.877 4.618 -3.336 1.00 0.00 H new ATOM 0 HA LYS A 37 10.236 3.658 -3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.549 4.386 -5.458 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.197 3.513 -6.152 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.151 5.523 -6.343 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.929 5.469 -4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.251 7.298 -4.406 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.607 6.359 -4.999 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.475 8.190 -6.512 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.726 6.868 -7.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.396 8.871 -7.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.551 7.665 -6.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.277 8.946 -5.826 1.00 0.00 H new ATOM 569 N ILE A 38 10.314 1.286 -4.469 1.00 0.00 N ATOM 570 CA ILE A 38 10.302 -0.161 -4.598 1.00 0.00 C ATOM 571 C ILE A 38 10.269 -0.536 -6.081 1.00 0.00 C ATOM 572 O ILE A 38 9.331 -0.182 -6.793 1.00 0.00 O ATOM 573 CB ILE A 38 9.153 -0.762 -3.786 1.00 0.00 C ATOM 574 CG1 ILE A 38 9.235 -0.333 -2.319 1.00 0.00 C ATOM 575 CG2 ILE A 38 9.111 -2.283 -3.937 1.00 0.00 C ATOM 576 CD1 ILE A 38 7.944 -0.679 -1.574 1.00 0.00 C ATOM 0 H ILE A 38 9.429 1.742 -4.693 1.00 0.00 H new ATOM 0 HA ILE A 38 11.214 -0.588 -4.181 1.00 0.00 H new ATOM 0 HB ILE A 38 8.215 -0.374 -4.183 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.080 -0.827 -1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.417 0.740 -2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.285 -2.684 -3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.969 -2.541 -4.987 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.049 -2.710 -3.583 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.028 -0.364 -0.534 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.105 -0.165 -2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.778 -1.756 -1.614 1.00 0.00 H new ATOM 588 N GLU A 39 11.304 -1.248 -6.502 1.00 0.00 N ATOM 589 CA GLU A 39 11.405 -1.675 -7.887 1.00 0.00 C ATOM 590 C GLU A 39 10.582 -2.945 -8.112 1.00 0.00 C ATOM 591 O GLU A 39 10.656 -3.885 -7.323 1.00 0.00 O ATOM 592 CB GLU A 39 12.865 -1.889 -8.289 1.00 0.00 C ATOM 593 CG GLU A 39 13.461 -3.099 -7.567 1.00 0.00 C ATOM 594 CD GLU A 39 14.842 -2.770 -6.995 1.00 0.00 C ATOM 595 OE1 GLU A 39 15.520 -1.861 -7.496 1.00 0.00 O ATOM 596 OE2 GLU A 39 15.205 -3.498 -5.994 1.00 0.00 O ATOM 0 H GLU A 39 12.080 -1.540 -5.908 1.00 0.00 H new ATOM 0 HA GLU A 39 11.000 -0.886 -8.521 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.931 -2.035 -9.367 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.446 -0.997 -8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.795 -3.411 -6.763 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.540 -3.937 -8.259 1.00 0.00 H new ATOM 604 N GLY A 40 9.816 -2.931 -9.193 1.00 0.00 N ATOM 605 CA GLY A 40 8.979 -4.070 -9.532 1.00 0.00 C ATOM 606 C GLY A 40 7.516 -3.800 -9.178 1.00 0.00 C ATOM 607 O GLY A 40 6.612 -4.204 -9.908 1.00 0.00 O ATOM 0 H GLY A 40 9.757 -2.149 -9.846 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.065 -4.285 -10.597 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.329 -4.954 -8.999 1.00 0.00 H new ATOM 611 N PHE A 41 7.327 -3.119 -8.057 1.00 0.00 N ATOM 612 CA PHE A 41 5.988 -2.791 -7.598 1.00 0.00 C ATOM 613 C PHE A 41 5.080 -2.421 -8.772 1.00 0.00 C ATOM 614 O PHE A 41 5.563 -2.079 -9.851 1.00 0.00 O ATOM 615 CB PHE A 41 6.119 -1.582 -6.669 1.00 0.00 C ATOM 616 CG PHE A 41 4.796 -1.132 -6.045 1.00 0.00 C ATOM 617 CD1 PHE A 41 4.301 -1.782 -4.958 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.116 -0.081 -6.576 1.00 0.00 C ATOM 619 CE1 PHE A 41 3.074 -1.365 -4.379 1.00 0.00 C ATOM 620 CE2 PHE A 41 2.889 0.337 -5.997 1.00 0.00 C ATOM 621 CZ PHE A 41 2.394 -0.314 -4.910 1.00 0.00 C ATOM 0 H PHE A 41 8.079 -2.786 -7.453 1.00 0.00 H new ATOM 0 HA PHE A 41 5.548 -3.649 -7.091 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.822 -1.824 -5.872 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.546 -0.750 -7.229 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.842 -2.616 -4.535 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.510 0.436 -7.439 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.680 -1.883 -3.517 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.349 1.171 -6.419 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.461 0.004 -4.469 1.00 0.00 H new ATOM 631 N GLY A 42 3.782 -2.502 -8.523 1.00 0.00 N ATOM 632 CA GLY A 42 2.802 -2.180 -9.546 1.00 0.00 C ATOM 633 C GLY A 42 1.422 -2.728 -9.176 1.00 0.00 C ATOM 634 O GLY A 42 1.122 -2.920 -7.998 1.00 0.00 O ATOM 0 H GLY A 42 3.386 -2.786 -7.627 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.746 -1.099 -9.673 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.119 -2.597 -10.502 1.00 0.00 H new ATOM 638 N LYS A 43 0.619 -2.964 -10.203 1.00 0.00 N ATOM 639 CA LYS A 43 -0.722 -3.485 -10.000 1.00 0.00 C ATOM 640 C LYS A 43 -0.636 -4.841 -9.295 1.00 0.00 C ATOM 641 O LYS A 43 -0.866 -4.934 -8.091 1.00 0.00 O ATOM 642 CB LYS A 43 -1.486 -3.528 -11.325 1.00 0.00 C ATOM 643 CG LYS A 43 -2.994 -3.631 -11.085 1.00 0.00 C ATOM 644 CD LYS A 43 -3.642 -4.600 -12.075 1.00 0.00 C ATOM 645 CE LYS A 43 -4.810 -3.936 -12.807 1.00 0.00 C ATOM 646 NZ LYS A 43 -5.161 -4.701 -14.025 1.00 0.00 N ATOM 0 H LYS A 43 0.871 -2.804 -11.178 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.294 -2.823 -9.350 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.267 -2.631 -11.905 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.149 -4.380 -11.916 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.181 -3.968 -10.065 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.450 -2.646 -11.184 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.899 -4.937 -12.798 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.996 -5.484 -11.545 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.675 -3.877 -12.146 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.544 -2.914 -13.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.955 -4.237 -14.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.340 -4.736 -14.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.435 -5.669 -13.760 1.00 0.00 H new ATOM 659 N GLU A 44 -0.304 -5.858 -10.077 1.00 0.00 N ATOM 660 CA GLU A 44 -0.185 -7.204 -9.543 1.00 0.00 C ATOM 661 C GLU A 44 0.356 -7.161 -8.112 1.00 0.00 C ATOM 662 O GLU A 44 -0.049 -7.959 -7.268 1.00 0.00 O ATOM 663 CB GLU A 44 0.701 -8.073 -10.438 1.00 0.00 C ATOM 664 CG GLU A 44 -0.068 -8.551 -11.672 1.00 0.00 C ATOM 665 CD GLU A 44 -1.237 -7.615 -11.986 1.00 0.00 C ATOM 666 OE1 GLU A 44 -1.045 -6.581 -12.643 1.00 0.00 O ATOM 667 OE2 GLU A 44 -2.379 -7.995 -11.521 1.00 0.00 O ATOM 0 H GLU A 44 -0.114 -5.777 -11.076 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.177 -7.655 -9.523 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.578 -7.505 -10.749 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.062 -8.933 -9.874 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.605 -8.598 -12.528 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.441 -9.561 -11.504 1.00 0.00 H new ATOM 675 N MET A 45 1.262 -6.222 -7.884 1.00 0.00 N ATOM 676 CA MET A 45 1.862 -6.065 -6.570 1.00 0.00 C ATOM 677 C MET A 45 0.851 -5.504 -5.569 1.00 0.00 C ATOM 678 O MET A 45 0.578 -6.125 -4.542 1.00 0.00 O ATOM 679 CB MET A 45 3.063 -5.122 -6.666 1.00 0.00 C ATOM 680 CG MET A 45 4.167 -5.539 -5.693 1.00 0.00 C ATOM 681 SD MET A 45 5.219 -6.766 -6.450 1.00 0.00 S ATOM 682 CE MET A 45 6.488 -6.899 -5.203 1.00 0.00 C ATOM 0 H MET A 45 1.595 -5.562 -8.587 1.00 0.00 H new ATOM 0 HA MET A 45 2.186 -7.045 -6.220 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.451 -5.124 -7.685 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.747 -4.102 -6.448 1.00 0.00 H new ATOM 0 HG2 MET A 45 4.758 -4.669 -5.406 1.00 0.00 H new ATOM 0 HG3 MET A 45 3.726 -5.940 -4.780 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.233 -7.630 -5.518 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.967 -5.929 -5.066 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.041 -7.219 -4.262 1.00 0.00 H new ATOM 692 N ALA A 46 0.322 -4.336 -5.902 1.00 0.00 N ATOM 693 CA ALA A 46 -0.653 -3.684 -5.045 1.00 0.00 C ATOM 694 C ALA A 46 -1.769 -4.674 -4.704 1.00 0.00 C ATOM 695 O ALA A 46 -2.097 -4.867 -3.535 1.00 0.00 O ATOM 696 CB ALA A 46 -1.181 -2.425 -5.737 1.00 0.00 C ATOM 0 H ALA A 46 0.550 -3.824 -6.754 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.192 -3.372 -4.108 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.913 -1.936 -5.094 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.354 -1.742 -5.930 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.653 -2.699 -6.680 1.00 0.00 H new ATOM 702 N HIS A 47 -2.322 -5.274 -5.748 1.00 0.00 N ATOM 703 CA HIS A 47 -3.395 -6.239 -5.574 1.00 0.00 C ATOM 704 C HIS A 47 -2.832 -7.529 -4.973 1.00 0.00 C ATOM 705 O HIS A 47 -3.504 -8.198 -4.189 1.00 0.00 O ATOM 706 CB HIS A 47 -4.134 -6.473 -6.893 1.00 0.00 C ATOM 707 CG HIS A 47 -4.680 -5.214 -7.522 1.00 0.00 C ATOM 708 ND1 HIS A 47 -4.833 -5.065 -8.890 1.00 0.00 N ATOM 709 CD2 HIS A 47 -5.108 -4.048 -6.958 1.00 0.00 C ATOM 710 CE1 HIS A 47 -5.331 -3.860 -9.126 1.00 0.00 C ATOM 711 NE2 HIS A 47 -5.500 -3.231 -7.928 1.00 0.00 N ATOM 0 H HIS A 47 -2.048 -5.111 -6.717 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.134 -5.845 -4.876 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.456 -6.954 -7.597 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.957 -7.166 -6.719 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -4.602 -5.764 -9.596 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.125 -3.827 -5.901 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.563 -3.448 -10.097 1.00 0.00 H new ATOM 719 N GLY A 48 -1.605 -7.840 -5.364 1.00 0.00 N ATOM 720 CA GLY A 48 -0.944 -9.037 -4.873 1.00 0.00 C ATOM 721 C GLY A 48 -0.451 -8.843 -3.438 1.00 0.00 C ATOM 722 O GLY A 48 -1.153 -8.267 -2.609 1.00 0.00 O ATOM 0 H GLY A 48 -1.051 -7.284 -6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.634 -9.880 -4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.102 -9.283 -5.520 1.00 0.00 H new ATOM 726 N LYS A 49 0.754 -9.334 -3.189 1.00 0.00 N ATOM 727 CA LYS A 49 1.350 -9.222 -1.869 1.00 0.00 C ATOM 728 C LYS A 49 2.017 -7.852 -1.730 1.00 0.00 C ATOM 729 O LYS A 49 3.132 -7.749 -1.222 1.00 0.00 O ATOM 730 CB LYS A 49 2.296 -10.395 -1.606 1.00 0.00 C ATOM 731 CG LYS A 49 1.679 -11.385 -0.615 1.00 0.00 C ATOM 732 CD LYS A 49 2.576 -12.611 -0.435 1.00 0.00 C ATOM 733 CE LYS A 49 2.438 -13.190 0.975 1.00 0.00 C ATOM 734 NZ LYS A 49 3.165 -12.350 1.953 1.00 0.00 N ATOM 0 H LYS A 49 1.334 -9.811 -3.880 1.00 0.00 H new ATOM 0 HA LYS A 49 0.582 -9.283 -1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.519 -10.904 -2.543 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.242 -10.023 -1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.528 -10.896 0.347 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.697 -11.697 -0.971 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.312 -13.370 -1.171 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.615 -12.336 -0.619 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.385 -13.249 1.249 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.830 -14.207 0.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.265 -12.868 2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.108 -12.119 1.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.634 -11.472 2.119 1.00 0.00 H new ATOM 747 N GLY A 50 1.305 -6.833 -2.190 1.00 0.00 N ATOM 748 CA GLY A 50 1.814 -5.474 -2.124 1.00 0.00 C ATOM 749 C GLY A 50 0.957 -4.613 -1.194 1.00 0.00 C ATOM 750 O GLY A 50 1.466 -4.026 -0.240 1.00 0.00 O ATOM 0 H GLY A 50 0.380 -6.922 -2.610 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.845 -5.485 -1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.825 -5.037 -3.123 1.00 0.00 H new ATOM 754 N CYS A 51 -0.330 -4.564 -1.505 1.00 0.00 N ATOM 755 CA CYS A 51 -1.263 -3.784 -0.709 1.00 0.00 C ATOM 756 C CYS A 51 -2.343 -4.726 -0.174 1.00 0.00 C ATOM 757 O CYS A 51 -2.244 -5.215 0.951 1.00 0.00 O ATOM 758 CB CYS A 51 -1.862 -2.627 -1.511 1.00 0.00 C ATOM 759 SG CYS A 51 -0.644 -1.407 -2.124 1.00 0.00 S ATOM 0 H CYS A 51 -0.749 -5.052 -2.297 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.735 -3.325 0.127 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.405 -3.037 -2.363 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.591 -2.110 -0.887 1.00 0.00 H new ATOM 764 N LYS A 52 -3.349 -4.953 -1.004 1.00 0.00 N ATOM 765 CA LYS A 52 -4.447 -5.829 -0.629 1.00 0.00 C ATOM 766 C LYS A 52 -3.884 -7.098 0.013 1.00 0.00 C ATOM 767 O LYS A 52 -4.336 -7.512 1.080 1.00 0.00 O ATOM 768 CB LYS A 52 -5.353 -6.098 -1.831 1.00 0.00 C ATOM 769 CG LYS A 52 -6.251 -4.893 -2.122 1.00 0.00 C ATOM 770 CD LYS A 52 -7.639 -5.342 -2.582 1.00 0.00 C ATOM 771 CE LYS A 52 -7.705 -5.446 -4.107 1.00 0.00 C ATOM 772 NZ LYS A 52 -7.433 -6.833 -4.544 1.00 0.00 N ATOM 0 H LYS A 52 -3.428 -4.546 -1.936 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.081 -5.348 0.116 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.744 -6.322 -2.707 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.969 -6.976 -1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.342 -4.278 -1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.793 -4.271 -2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.878 -6.308 -2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.389 -4.634 -2.230 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.690 -5.135 -4.456 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.979 -4.768 -4.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.482 -6.886 -5.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.484 -7.117 -4.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.142 -7.472 -4.131 1.00 0.00 H new ATOM 785 N GLY A 53 -2.905 -7.681 -0.663 1.00 0.00 N ATOM 786 CA GLY A 53 -2.276 -8.895 -0.172 1.00 0.00 C ATOM 787 C GLY A 53 -2.236 -8.912 1.357 1.00 0.00 C ATOM 788 O GLY A 53 -2.896 -9.735 1.990 1.00 0.00 O ATOM 0 H GLY A 53 -2.532 -7.335 -1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.824 -9.765 -0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.263 -8.969 -0.567 1.00 0.00 H new ATOM 792 N CYS A 54 -1.455 -7.994 1.908 1.00 0.00 N ATOM 793 CA CYS A 54 -1.321 -7.893 3.351 1.00 0.00 C ATOM 794 C CYS A 54 -2.716 -7.709 3.951 1.00 0.00 C ATOM 795 O CYS A 54 -3.057 -8.349 4.945 1.00 0.00 O ATOM 796 CB CYS A 54 -0.373 -6.762 3.753 1.00 0.00 C ATOM 797 SG CYS A 54 -0.059 -6.819 5.555 1.00 0.00 S ATOM 0 H CYS A 54 -0.908 -7.313 1.380 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.876 -8.808 3.743 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.567 -6.854 3.209 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.806 -5.799 3.481 1.00 0.00 H new ATOM 802 N HIS A 55 -3.485 -6.831 3.324 1.00 0.00 N ATOM 803 CA HIS A 55 -4.835 -6.555 3.784 1.00 0.00 C ATOM 804 C HIS A 55 -5.607 -7.868 3.926 1.00 0.00 C ATOM 805 O HIS A 55 -5.876 -8.317 5.039 1.00 0.00 O ATOM 806 CB HIS A 55 -5.530 -5.555 2.858 1.00 0.00 C ATOM 807 CG HIS A 55 -4.973 -4.154 2.938 1.00 0.00 C ATOM 808 ND1 HIS A 55 -5.470 -3.105 2.184 1.00 0.00 N ATOM 809 CD2 HIS A 55 -3.958 -3.640 3.690 1.00 0.00 C ATOM 810 CE1 HIS A 55 -4.778 -2.014 2.476 1.00 0.00 C ATOM 811 NE2 HIS A 55 -3.840 -2.348 3.409 1.00 0.00 N ATOM 0 H HIS A 55 -3.198 -6.301 2.501 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.800 -6.087 4.768 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.448 -5.909 1.830 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.592 -5.527 3.102 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -6.239 -3.162 1.516 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.353 -4.191 4.395 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -4.929 -1.033 2.051 1.00 0.00 H new ATOM 819 N GLU A 56 -5.943 -8.447 2.782 1.00 0.00 N ATOM 820 CA GLU A 56 -6.679 -9.699 2.765 1.00 0.00 C ATOM 821 C GLU A 56 -5.942 -10.759 3.586 1.00 0.00 C ATOM 822 O GLU A 56 -6.546 -11.734 4.033 1.00 0.00 O ATOM 823 CB GLU A 56 -6.911 -10.179 1.331 1.00 0.00 C ATOM 824 CG GLU A 56 -5.745 -9.781 0.424 1.00 0.00 C ATOM 825 CD GLU A 56 -5.496 -10.845 -0.647 1.00 0.00 C ATOM 826 OE1 GLU A 56 -6.393 -11.137 -1.451 1.00 0.00 O ATOM 827 OE2 GLU A 56 -4.319 -11.373 -0.628 1.00 0.00 O ATOM 0 H GLU A 56 -5.719 -8.072 1.860 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.656 -9.530 3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.031 -11.262 1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.837 -9.753 0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.960 -8.824 -0.052 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.844 -9.644 1.022 1.00 0.00 H new ATOM 835 N GLU A 57 -4.648 -10.534 3.760 1.00 0.00 N ATOM 836 CA GLU A 57 -3.823 -11.457 4.519 1.00 0.00 C ATOM 837 C GLU A 57 -4.296 -11.520 5.973 1.00 0.00 C ATOM 838 O GLU A 57 -4.544 -12.602 6.502 1.00 0.00 O ATOM 839 CB GLU A 57 -2.346 -11.066 4.439 1.00 0.00 C ATOM 840 CG GLU A 57 -1.555 -12.077 3.607 1.00 0.00 C ATOM 841 CD GLU A 57 -1.858 -13.509 4.051 1.00 0.00 C ATOM 842 OE1 GLU A 57 -1.521 -13.892 5.181 1.00 0.00 O ATOM 843 OE2 GLU A 57 -2.468 -14.234 3.175 1.00 0.00 O ATOM 0 H GLU A 57 -4.151 -9.725 3.388 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.926 -12.450 4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.252 -10.074 3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.926 -11.009 5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.804 -11.959 2.552 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.488 -11.880 3.707 1.00 0.00 H new ATOM 851 N MET A 58 -4.406 -10.346 6.576 1.00 0.00 N ATOM 852 CA MET A 58 -4.845 -10.253 7.958 1.00 0.00 C ATOM 853 C MET A 58 -6.344 -9.958 8.039 1.00 0.00 C ATOM 854 O MET A 58 -6.899 -9.840 9.131 1.00 0.00 O ATOM 855 CB MET A 58 -4.067 -9.144 8.668 1.00 0.00 C ATOM 856 CG MET A 58 -2.562 -9.415 8.625 1.00 0.00 C ATOM 857 SD MET A 58 -1.966 -9.812 10.261 1.00 0.00 S ATOM 858 CE MET A 58 -1.864 -8.172 10.959 1.00 0.00 C ATOM 0 H MET A 58 -4.199 -9.451 6.133 1.00 0.00 H new ATOM 0 HA MET A 58 -4.656 -11.210 8.444 1.00 0.00 H new ATOM 0 HB2 MET A 58 -4.281 -8.185 8.196 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.397 -9.070 9.704 1.00 0.00 H new ATOM 0 HG2 MET A 58 -2.352 -10.239 7.943 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.037 -8.540 8.240 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.505 -8.235 11.986 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.173 -7.568 10.370 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.851 -7.710 10.947 1.00 0.00 H new ATOM 868 N LYS A 59 -6.957 -9.848 6.870 1.00 0.00 N ATOM 869 CA LYS A 59 -8.381 -9.569 6.795 1.00 0.00 C ATOM 870 C LYS A 59 -8.639 -8.129 7.243 1.00 0.00 C ATOM 871 O LYS A 59 -9.788 -7.722 7.407 1.00 0.00 O ATOM 872 CB LYS A 59 -9.174 -10.611 7.586 1.00 0.00 C ATOM 873 CG LYS A 59 -9.778 -11.664 6.655 1.00 0.00 C ATOM 874 CD LYS A 59 -10.913 -11.071 5.819 1.00 0.00 C ATOM 875 CE LYS A 59 -12.179 -11.923 5.931 1.00 0.00 C ATOM 876 NZ LYS A 59 -13.387 -11.078 5.792 1.00 0.00 N ATOM 0 H LYS A 59 -6.494 -9.947 5.967 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.731 -9.650 5.766 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.522 -11.095 8.313 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.968 -10.119 8.148 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.004 -12.059 5.996 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.154 -12.501 7.243 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.123 -10.055 6.153 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.605 -11.006 4.775 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.176 -12.693 5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.195 -12.436 6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.237 -11.672 5.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.396 -10.359 6.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.377 -10.608 4.864 1.00 0.00 H new ATOM 889 N LYS A 60 -7.550 -7.397 7.429 1.00 0.00 N ATOM 890 CA LYS A 60 -7.644 -6.011 7.855 1.00 0.00 C ATOM 891 C LYS A 60 -7.279 -5.096 6.685 1.00 0.00 C ATOM 892 O LYS A 60 -6.451 -5.453 5.847 1.00 0.00 O ATOM 893 CB LYS A 60 -6.795 -5.777 9.107 1.00 0.00 C ATOM 894 CG LYS A 60 -7.142 -6.788 10.202 1.00 0.00 C ATOM 895 CD LYS A 60 -7.258 -6.102 11.564 1.00 0.00 C ATOM 896 CE LYS A 60 -8.724 -5.909 11.958 1.00 0.00 C ATOM 897 NZ LYS A 60 -9.380 -4.937 11.056 1.00 0.00 N ATOM 0 H LYS A 60 -6.598 -7.738 7.292 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.667 -5.769 8.142 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.738 -5.858 8.854 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.958 -4.765 9.477 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.082 -7.284 9.959 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.375 -7.561 10.244 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.750 -6.700 12.321 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.756 -5.135 11.532 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.247 -6.864 11.915 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.787 -5.558 12.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.317 -4.689 11.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.797 -4.079 10.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.489 -5.359 10.111 1.00 0.00 H new ATOM 910 N GLY A 61 -7.913 -3.933 6.664 1.00 0.00 N ATOM 911 CA GLY A 61 -7.666 -2.964 5.610 1.00 0.00 C ATOM 912 C GLY A 61 -8.651 -3.148 4.454 1.00 0.00 C ATOM 913 O GLY A 61 -9.333 -4.163 4.333 1.00 0.00 O ATOM 0 H GLY A 61 -8.598 -3.640 7.361 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.755 -1.954 6.011 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.645 -3.072 5.243 1.00 0.00 H new ATOM 917 N PRO A 62 -8.710 -2.127 3.595 1.00 0.00 N ATOM 918 CA PRO A 62 -9.569 -2.089 2.432 1.00 0.00 C ATOM 919 C PRO A 62 -9.107 -3.129 1.421 1.00 0.00 C ATOM 920 O PRO A 62 -7.955 -3.072 0.995 1.00 0.00 O ATOM 921 CB PRO A 62 -9.410 -0.676 1.874 1.00 0.00 C ATOM 922 CG PRO A 62 -8.074 -0.222 2.358 1.00 0.00 C ATOM 923 CD PRO A 62 -7.921 -0.919 3.708 1.00 0.00 C ATOM 0 HA PRO A 62 -10.610 -2.313 2.666 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.458 -0.673 0.785 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.204 -0.019 2.230 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.280 -0.507 1.668 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.033 0.862 2.460 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.876 -1.148 3.918 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.279 -0.288 4.521 1.00 0.00 H new ATOM 931 N THR A 63 -9.995 -4.044 1.063 1.00 0.00 N ATOM 932 CA THR A 63 -9.655 -5.083 0.106 1.00 0.00 C ATOM 933 C THR A 63 -10.604 -5.034 -1.094 1.00 0.00 C ATOM 934 O THR A 63 -10.391 -5.729 -2.086 1.00 0.00 O ATOM 935 CB THR A 63 -9.672 -6.426 0.840 1.00 0.00 C ATOM 936 OG1 THR A 63 -11.041 -6.616 1.185 1.00 0.00 O ATOM 937 CG2 THR A 63 -8.953 -6.365 2.189 1.00 0.00 C ATOM 0 H THR A 63 -10.950 -4.088 1.419 1.00 0.00 H new ATOM 0 HA THR A 63 -8.656 -4.933 -0.303 1.00 0.00 H new ATOM 0 HB THR A 63 -9.206 -7.187 0.214 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.143 -7.465 1.663 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.994 -7.343 2.668 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.912 -6.081 2.034 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.439 -5.628 2.828 1.00 0.00 H new ATOM 945 N LYS A 64 -11.630 -4.207 -0.962 1.00 0.00 N ATOM 946 CA LYS A 64 -12.612 -4.059 -2.023 1.00 0.00 C ATOM 947 C LYS A 64 -12.251 -2.845 -2.881 1.00 0.00 C ATOM 948 O LYS A 64 -11.556 -1.940 -2.421 1.00 0.00 O ATOM 949 CB LYS A 64 -14.026 -4.001 -1.441 1.00 0.00 C ATOM 950 CG LYS A 64 -14.257 -5.142 -0.448 1.00 0.00 C ATOM 951 CD LYS A 64 -15.473 -5.980 -0.849 1.00 0.00 C ATOM 952 CE LYS A 64 -16.307 -6.357 0.377 1.00 0.00 C ATOM 953 NZ LYS A 64 -15.975 -7.726 0.829 1.00 0.00 N ATOM 0 H LYS A 64 -11.803 -3.633 -0.137 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.597 -4.930 -2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.179 -3.044 -0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.758 -4.062 -2.247 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.372 -5.776 -0.405 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.406 -4.734 0.552 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.088 -5.421 -1.554 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.143 -6.884 -1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.121 -5.647 1.183 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.368 -6.295 0.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.550 -7.966 1.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.175 -8.402 0.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.967 -7.774 1.079 1.00 0.00 H new ATOM 966 N CYS A 65 -12.739 -2.864 -4.112 1.00 0.00 N ATOM 967 CA CYS A 65 -12.476 -1.775 -5.038 1.00 0.00 C ATOM 968 C CYS A 65 -13.248 -0.543 -4.563 1.00 0.00 C ATOM 969 O CYS A 65 -14.227 -0.664 -3.829 1.00 0.00 O ATOM 970 CB CYS A 65 -12.837 -2.156 -6.476 1.00 0.00 C ATOM 971 SG CYS A 65 -12.764 -3.948 -6.836 1.00 0.00 S ATOM 0 H CYS A 65 -13.315 -3.616 -4.490 1.00 0.00 H new ATOM 0 HA CYS A 65 -11.409 -1.552 -5.048 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.844 -1.797 -6.690 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -12.162 -1.635 -7.155 1.00 0.00 H new ATOM 976 N GLY A 66 -12.777 0.616 -5.001 1.00 0.00 N ATOM 977 CA GLY A 66 -13.411 1.869 -4.630 1.00 0.00 C ATOM 978 C GLY A 66 -12.835 2.408 -3.319 1.00 0.00 C ATOM 979 O GLY A 66 -12.713 3.619 -3.141 1.00 0.00 O ATOM 0 H GLY A 66 -11.964 0.713 -5.609 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.267 2.602 -5.423 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.486 1.720 -4.525 1.00 0.00 H new ATOM 983 N GLU A 67 -12.497 1.482 -2.434 1.00 0.00 N ATOM 984 CA GLU A 67 -11.937 1.848 -1.144 1.00 0.00 C ATOM 985 C GLU A 67 -10.497 2.339 -1.311 1.00 0.00 C ATOM 986 O GLU A 67 -9.965 3.021 -0.437 1.00 0.00 O ATOM 987 CB GLU A 67 -12.007 0.676 -0.163 1.00 0.00 C ATOM 988 CG GLU A 67 -12.533 1.132 1.199 1.00 0.00 C ATOM 989 CD GLU A 67 -12.551 -0.029 2.196 1.00 0.00 C ATOM 990 OE1 GLU A 67 -12.166 0.149 3.362 1.00 0.00 O ATOM 991 OE2 GLU A 67 -12.986 -1.147 1.723 1.00 0.00 O ATOM 0 H GLU A 67 -12.600 0.478 -2.585 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.532 2.662 -0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.656 -0.102 -0.566 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.017 0.236 -0.046 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.907 1.937 1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.539 1.536 1.088 1.00 0.00 H new ATOM 999 N CYS A 68 -9.908 1.972 -2.439 1.00 0.00 N ATOM 1000 CA CYS A 68 -8.540 2.366 -2.731 1.00 0.00 C ATOM 1001 C CYS A 68 -8.564 3.355 -3.898 1.00 0.00 C ATOM 1002 O CYS A 68 -7.941 4.414 -3.832 1.00 0.00 O ATOM 1003 CB CYS A 68 -7.653 1.155 -3.028 1.00 0.00 C ATOM 1004 SG CYS A 68 -6.522 0.847 -1.623 1.00 0.00 S ATOM 0 H CYS A 68 -10.353 1.406 -3.162 1.00 0.00 H new ATOM 0 HA CYS A 68 -8.103 2.848 -1.856 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.272 0.276 -3.207 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.078 1.330 -3.937 1.00 0.00 H new ATOM 1009 N HIS A 69 -9.290 2.975 -4.939 1.00 0.00 N ATOM 1010 CA HIS A 69 -9.403 3.816 -6.119 1.00 0.00 C ATOM 1011 C HIS A 69 -10.571 4.790 -5.945 1.00 0.00 C ATOM 1012 O HIS A 69 -11.730 4.409 -6.100 1.00 0.00 O ATOM 1013 CB HIS A 69 -9.526 2.964 -7.384 1.00 0.00 C ATOM 1014 CG HIS A 69 -8.366 2.024 -7.606 1.00 0.00 C ATOM 1015 ND1 HIS A 69 -7.108 2.461 -7.983 1.00 0.00 N ATOM 1016 CD2 HIS A 69 -8.286 0.666 -7.498 1.00 0.00 C ATOM 1017 CE1 HIS A 69 -6.315 1.405 -8.096 1.00 0.00 C ATOM 1018 NE2 HIS A 69 -7.047 0.294 -7.795 1.00 0.00 N ATOM 0 H HIS A 69 -9.806 2.096 -4.990 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.495 4.408 -6.236 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.446 2.383 -7.330 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.616 3.624 -8.247 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -6.837 3.431 -8.146 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.094 0.006 -7.218 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.272 1.421 -8.377 1.00 0.00 H new ATOM 1026 N LYS A 70 -10.224 6.028 -5.624 1.00 0.00 N ATOM 1027 CA LYS A 70 -11.228 7.059 -5.427 1.00 0.00 C ATOM 1028 C LYS A 70 -11.066 8.135 -6.503 1.00 0.00 C ATOM 1029 O LYS A 70 -10.036 8.804 -6.567 1.00 0.00 O ATOM 1030 CB LYS A 70 -11.164 7.604 -3.999 1.00 0.00 C ATOM 1031 CG LYS A 70 -11.790 6.621 -3.008 1.00 0.00 C ATOM 1032 CD LYS A 70 -12.985 7.251 -2.291 1.00 0.00 C ATOM 1033 CE LYS A 70 -13.367 6.444 -1.049 1.00 0.00 C ATOM 1034 NZ LYS A 70 -13.963 7.327 -0.021 1.00 0.00 N ATOM 0 H LYS A 70 -9.261 6.340 -5.496 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.229 6.642 -5.540 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.126 7.792 -3.724 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.685 8.560 -3.947 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.110 5.722 -3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.044 6.312 -2.276 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.743 8.274 -2.004 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.835 7.303 -2.971 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.076 5.661 -1.320 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.485 5.949 -0.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.217 6.764 0.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.275 8.058 0.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.817 7.780 -0.405 1.00 0.00 H new ATOM 1047 N LYS A 71 -12.099 8.267 -7.323 1.00 0.00 N ATOM 1048 CA LYS A 71 -12.085 9.250 -8.393 1.00 0.00 C ATOM 1049 C LYS A 71 -11.906 10.646 -7.794 1.00 0.00 C ATOM 1050 O LYS A 71 -10.864 11.275 -7.977 1.00 0.00 O ATOM 1051 CB LYS A 71 -13.334 9.110 -9.265 1.00 0.00 C ATOM 1052 CG LYS A 71 -13.287 7.821 -10.088 1.00 0.00 C ATOM 1053 CD LYS A 71 -14.672 7.175 -10.174 1.00 0.00 C ATOM 1054 CE LYS A 71 -14.662 5.984 -11.134 1.00 0.00 C ATOM 1055 NZ LYS A 71 -15.109 6.399 -12.482 1.00 0.00 N ATOM 0 H LYS A 71 -12.951 7.709 -7.268 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.239 9.077 -9.059 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -14.224 9.111 -8.635 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.414 9.969 -9.932 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.920 8.039 -11.091 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.583 7.122 -9.636 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.986 6.846 -9.183 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.401 7.912 -10.511 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.658 5.564 -11.191 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.315 5.198 -10.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.096 5.578 -13.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.076 6.778 -12.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.470 7.133 -12.849 1.00 0.00 H new TER 1068 LYS A 71 HETATM 1069 CHA HEM A 130 8.392 5.113 0.486 1.00 0.00 C HETATM 1070 CHB HEM A 130 10.830 5.181 4.702 1.00 0.00 C HETATM 1071 CHC HEM A 130 7.889 1.724 6.469 1.00 0.00 C HETATM 1072 CHD HEM A 130 5.773 1.315 2.044 1.00 0.00 C HETATM 1073 C1A HEM A 130 9.300 5.431 1.490 1.00 0.00 C HETATM 1074 C2A HEM A 130 10.326 6.440 1.367 1.00 0.00 C HETATM 1075 C3A HEM A 130 11.004 6.461 2.535 1.00 0.00 C HETATM 1076 C4A HEM A 130 10.404 5.466 3.392 1.00 0.00 C HETATM 1077 CMA HEM A 130 12.164 7.335 2.914 1.00 0.00 C HETATM 1078 CAA HEM A 130 10.559 7.285 0.148 1.00 0.00 C HETATM 1079 CBA HEM A 130 9.801 8.609 0.157 1.00 0.00 C HETATM 1080 CGA HEM A 130 10.741 9.777 0.416 1.00 0.00 C HETATM 1081 O1A HEM A 130 10.814 10.197 1.591 1.00 0.00 O HETATM 1082 O2A HEM A 130 11.370 10.228 -0.566 1.00 0.00 O HETATM 1083 C1B HEM A 130 10.208 4.273 5.553 1.00 0.00 C HETATM 1084 C2B HEM A 130 10.557 4.094 6.943 1.00 0.00 C HETATM 1085 C3B HEM A 130 9.743 3.136 7.436 1.00 0.00 C HETATM 1086 C4B HEM A 130 8.882 2.713 6.356 1.00 0.00 C HETATM 1087 CMB HEM A 130 11.632 4.854 7.664 1.00 0.00 C HETATM 1088 CAB HEM A 130 9.705 2.585 8.831 1.00 0.00 C HETATM 1089 CBB HEM A 130 9.836 3.644 9.921 1.00 0.00 C HETATM 1090 C1C HEM A 130 7.136 1.185 5.337 1.00 0.00 C HETATM 1091 C2C HEM A 130 6.366 -0.037 5.327 1.00 0.00 C HETATM 1092 C3C HEM A 130 5.779 -0.126 4.115 1.00 0.00 C HETATM 1093 C4C HEM A 130 6.178 1.039 3.363 1.00 0.00 C HETATM 1094 CMC HEM A 130 6.268 -0.998 6.476 1.00 0.00 C HETATM 1095 CAC HEM A 130 4.875 -1.211 3.605 1.00 0.00 C HETATM 1096 CBC HEM A 130 3.578 -1.361 4.394 1.00 0.00 C HETATM 1097 C1D HEM A 130 6.305 2.325 1.250 1.00 0.00 C HETATM 1098 C2D HEM A 130 5.920 2.568 -0.121 1.00 0.00 C HETATM 1099 C3D HEM A 130 6.645 3.620 -0.556 1.00 0.00 C HETATM 1100 C4D HEM A 130 7.485 4.040 0.541 1.00 0.00 C HETATM 1101 CMD HEM A 130 4.900 1.771 -0.880 1.00 0.00 C HETATM 1102 CAD HEM A 130 6.616 4.265 -1.911 1.00 0.00 C HETATM 1103 CBD HEM A 130 7.060 3.345 -3.045 1.00 0.00 C HETATM 1104 CGD HEM A 130 5.892 2.525 -3.574 1.00 0.00 C HETATM 1105 O1D HEM A 130 6.103 1.312 -3.793 1.00 0.00 O HETATM 1106 O2D HEM A 130 4.810 3.125 -3.750 1.00 0.00 O HETATM 1107 NA HEM A 130 9.357 4.838 2.739 1.00 0.00 N HETATM 1108 NB HEM A 130 9.177 3.419 5.203 1.00 0.00 N HETATM 1109 NC HEM A 130 7.013 1.839 4.123 1.00 0.00 N HETATM 1110 ND HEM A 130 7.268 3.236 1.647 1.00 0.00 N HETATM 1111 FE HEM A 130 8.162 3.296 3.553 1.00 0.00 FE HETATM 0 HMA1 HEM A 130 12.742 7.580 2.023 1.00 0.00 H new HETATM 0 HMA2 HEM A 130 12.800 6.807 3.625 1.00 0.00 H new HETATM 0 HMA3 HEM A 130 11.794 8.253 3.370 1.00 0.00 H new HETATM 0 HMB1 HEM A 130 12.418 5.128 6.960 1.00 0.00 H new HETATM 0 HMB2 HEM A 130 12.052 4.230 8.452 1.00 0.00 H new HETATM 0 HMB3 HEM A 130 11.207 5.757 8.103 1.00 0.00 H new HETATM 0 HMC1 HEM A 130 5.299 -1.496 6.452 1.00 0.00 H new HETATM 0 HMC2 HEM A 130 6.374 -0.455 7.415 1.00 0.00 H new HETATM 0 HMC3 HEM A 130 7.060 -1.742 6.396 1.00 0.00 H new HETATM 0 HMD1 HEM A 130 4.416 2.409 -1.619 1.00 0.00 H new HETATM 0 HMD2 HEM A 130 4.151 1.385 -0.188 1.00 0.00 H new HETATM 0 HMD3 HEM A 130 5.391 0.939 -1.384 1.00 0.00 H new HETATM 0 HBB1 HEM A 130 9.820 3.351 10.971 1.00 0.00 H new HETATM 0 HBB2 HEM A 130 9.945 4.694 9.650 1.00 0.00 H new HETATM 0 HBC1 HEM A 130 2.850 -2.120 4.107 1.00 0.00 H new HETATM 0 HBC2 HEM A 130 3.379 -0.709 5.245 1.00 0.00 H new HETATM 0 HBA1 HEM A 130 9.028 8.584 0.925 1.00 0.00 H new HETATM 0 HBA2 HEM A 130 9.297 8.749 -0.799 1.00 0.00 H new HETATM 0 HAA1 HEM A 130 10.268 6.718 -0.736 1.00 0.00 H new HETATM 0 HAA2 HEM A 130 11.626 7.489 0.059 1.00 0.00 H new HETATM 0 HBD1 HEM A 130 7.846 2.678 -2.690 1.00 0.00 H new HETATM 0 HBD2 HEM A 130 7.487 3.939 -3.853 1.00 0.00 H new HETATM 0 HAD1 HEM A 130 7.259 5.145 -1.897 1.00 0.00 H new HETATM 0 HAD2 HEM A 130 5.604 4.614 -2.115 1.00 0.00 H new HETATM 0 HHA HEM A 130 8.383 5.734 -0.398 1.00 0.00 H new HETATM 0 HHB HEM A 130 11.700 5.703 5.073 1.00 0.00 H new HETATM 0 HHC HEM A 130 7.669 1.338 7.453 1.00 0.00 H new HETATM 0 HHD HEM A 130 4.994 0.699 1.619 1.00 0.00 H new HETATM 0 HAB HEM A 130 9.594 1.522 9.046 1.00 0.00 H new HETATM 0 HAC HEM A 130 5.123 -1.836 2.747 1.00 0.00 H new HETATM 1112 CHA HEM A 154 -5.130 -0.004 6.380 1.00 0.00 C HETATM 1113 CHB HEM A 154 -3.776 1.282 1.882 1.00 0.00 C HETATM 1114 CHC HEM A 154 -0.123 -1.935 2.062 1.00 0.00 C HETATM 1115 CHD HEM A 154 -1.611 -3.370 6.480 1.00 0.00 C HETATM 1116 C1A HEM A 154 -5.068 0.622 5.139 1.00 0.00 C HETATM 1117 C2A HEM A 154 -5.979 1.654 4.704 1.00 0.00 C HETATM 1118 C3A HEM A 154 -5.606 2.012 3.457 1.00 0.00 C HETATM 1119 C4A HEM A 154 -4.460 1.206 3.108 1.00 0.00 C HETATM 1120 CMA HEM A 154 -6.233 3.046 2.567 1.00 0.00 C HETATM 1121 CAA HEM A 154 -7.116 2.196 5.521 1.00 0.00 C HETATM 1122 CBA HEM A 154 -6.736 2.550 6.956 1.00 0.00 C HETATM 1123 CGA HEM A 154 -6.955 4.030 7.231 1.00 0.00 C HETATM 1124 O1A HEM A 154 -6.777 4.818 6.277 1.00 0.00 O HETATM 1125 O2A HEM A 154 -7.297 4.347 8.391 1.00 0.00 O HETATM 1126 C1B HEM A 154 -2.660 0.519 1.553 1.00 0.00 C HETATM 1127 C2B HEM A 154 -1.946 0.623 0.302 1.00 0.00 C HETATM 1128 C3B HEM A 154 -0.932 -0.268 0.349 1.00 0.00 C HETATM 1129 C4B HEM A 154 -1.010 -0.932 1.629 1.00 0.00 C HETATM 1130 CMB HEM A 154 -2.300 1.561 -0.814 1.00 0.00 C HETATM 1131 CAB HEM A 154 0.100 -0.549 -0.703 1.00 0.00 C HETATM 1132 CBB HEM A 154 0.879 0.684 -1.153 1.00 0.00 C HETATM 1133 C1C HEM A 154 -0.240 -2.628 3.272 1.00 0.00 C HETATM 1134 C2C HEM A 154 0.614 -3.722 3.672 1.00 0.00 C HETATM 1135 C3C HEM A 154 0.205 -4.118 4.896 1.00 0.00 C HETATM 1136 C4C HEM A 154 -0.905 -3.273 5.267 1.00 0.00 C HETATM 1137 CMC HEM A 154 1.735 -4.282 2.846 1.00 0.00 C HETATM 1138 CAC HEM A 154 0.767 -5.220 5.746 1.00 0.00 C HETATM 1139 CBC HEM A 154 2.238 -5.524 5.476 1.00 0.00 C HETATM 1140 C1D HEM A 154 -2.691 -2.566 6.831 1.00 0.00 C HETATM 1141 C2D HEM A 154 -3.395 -2.655 8.088 1.00 0.00 C HETATM 1142 C3D HEM A 154 -4.371 -1.723 8.064 1.00 0.00 C HETATM 1143 C4D HEM A 154 -4.281 -1.047 6.791 1.00 0.00 C HETATM 1144 CMD HEM A 154 -3.066 -3.621 9.189 1.00 0.00 C HETATM 1145 CAD HEM A 154 -5.379 -1.413 9.131 1.00 0.00 C HETATM 1146 CBD HEM A 154 -5.146 -0.082 9.838 1.00 0.00 C HETATM 1147 CGD HEM A 154 -6.463 0.624 10.126 1.00 0.00 C HETATM 1148 O1D HEM A 154 -7.372 0.498 9.278 1.00 0.00 O HETATM 1149 O2D HEM A 154 -6.536 1.277 11.190 1.00 0.00 O HETATM 1150 NA HEM A 154 -4.138 0.354 4.150 1.00 0.00 N HETATM 1151 NB HEM A 154 -2.076 -0.441 2.362 1.00 0.00 N HETATM 1152 NC HEM A 154 -1.171 -2.360 4.261 1.00 0.00 N HETATM 1153 ND HEM A 154 -3.244 -1.573 6.040 1.00 0.00 N HETATM 1154 FE HEM A 154 -2.593 -1.082 4.297 1.00 0.00 FE HETATM 0 HMA1 HEM A 154 -7.299 3.116 2.786 1.00 0.00 H new HETATM 0 HMA2 HEM A 154 -6.095 2.761 1.524 1.00 0.00 H new HETATM 0 HMA3 HEM A 154 -5.762 4.013 2.744 1.00 0.00 H new HETATM 0 HMB1 HEM A 154 -1.397 1.837 -1.358 1.00 0.00 H new HETATM 0 HMB2 HEM A 154 -2.763 2.458 -0.402 1.00 0.00 H new HETATM 0 HMB3 HEM A 154 -2.998 1.071 -1.493 1.00 0.00 H new HETATM 0 HMC1 HEM A 154 2.511 -4.675 3.504 1.00 0.00 H new HETATM 0 HMC2 HEM A 154 2.154 -3.494 2.220 1.00 0.00 H new HETATM 0 HMC3 HEM A 154 1.355 -5.084 2.213 1.00 0.00 H new HETATM 0 HMD1 HEM A 154 -3.328 -3.180 10.151 1.00 0.00 H new HETATM 0 HMD2 HEM A 154 -1.999 -3.844 9.171 1.00 0.00 H new HETATM 0 HMD3 HEM A 154 -3.631 -4.542 9.046 1.00 0.00 H new HETATM 0 HBB1 HEM A 154 1.654 0.591 -1.914 1.00 0.00 H new HETATM 0 HBB2 HEM A 154 0.661 1.657 -0.713 1.00 0.00 H new HETATM 0 HBC1 HEM A 154 2.745 -6.308 6.039 1.00 0.00 H new HETATM 0 HBC2 HEM A 154 2.782 -4.958 4.720 1.00 0.00 H new HETATM 0 HBA1 HEM A 154 -5.691 2.295 7.132 1.00 0.00 H new HETATM 0 HBA2 HEM A 154 -7.331 1.956 7.650 1.00 0.00 H new HETATM 0 HAA1 HEM A 154 -7.920 1.460 5.540 1.00 0.00 H new HETATM 0 HAA2 HEM A 154 -7.510 3.086 5.030 1.00 0.00 H new HETATM 0 HBD1 HEM A 154 -4.515 0.556 9.219 1.00 0.00 H new HETATM 0 HBD2 HEM A 154 -4.609 -0.252 10.771 1.00 0.00 H new HETATM 0 HAD1 HEM A 154 -5.366 -2.213 9.871 1.00 0.00 H new HETATM 0 HAD2 HEM A 154 -6.374 -1.407 8.686 1.00 0.00 H new HETATM 0 HHA HEM A 154 -5.883 0.335 7.076 1.00 0.00 H new HETATM 0 HHB HEM A 154 -4.142 1.981 1.145 1.00 0.00 H new HETATM 0 HHC HEM A 154 0.705 -2.187 1.416 1.00 0.00 H new HETATM 0 HHD HEM A 154 -1.293 -4.121 7.188 1.00 0.00 H new HETATM 0 HAB HEM A 154 0.278 -1.545 -1.110 1.00 0.00 H new HETATM 0 HAC HEM A 154 0.177 -5.755 6.490 1.00 0.00 H new HETATM 1155 CHA HEM A 168 -3.867 -0.327 -9.956 1.00 0.00 C HETATM 1156 CHB HEM A 168 -8.261 -2.354 -10.510 1.00 0.00 C HETATM 1157 CHC HEM A 168 -8.742 -2.752 -5.680 1.00 0.00 C HETATM 1158 CHD HEM A 168 -4.435 -0.382 -5.119 1.00 0.00 C HETATM 1159 C1A HEM A 168 -5.022 -0.861 -10.517 1.00 0.00 C HETATM 1160 C2A HEM A 168 -5.257 -0.975 -11.937 1.00 0.00 C HETATM 1161 C3A HEM A 168 -6.474 -1.537 -12.094 1.00 0.00 C HETATM 1162 C4A HEM A 168 -7.005 -1.776 -10.773 1.00 0.00 C HETATM 1163 CMA HEM A 168 -7.181 -1.867 -13.376 1.00 0.00 C HETATM 1164 CAA HEM A 168 -4.297 -0.537 -13.004 1.00 0.00 C HETATM 1165 CBA HEM A 168 -4.058 0.970 -13.044 1.00 0.00 C HETATM 1166 CGA HEM A 168 -2.615 1.286 -13.407 1.00 0.00 C HETATM 1167 O1A HEM A 168 -1.918 1.844 -12.531 1.00 0.00 O HETATM 1168 O2A HEM A 168 -2.234 0.965 -14.553 1.00 0.00 O HETATM 1169 C1B HEM A 168 -8.713 -2.716 -9.245 1.00 0.00 C HETATM 1170 C2B HEM A 168 -9.830 -3.598 -9.005 1.00 0.00 C HETATM 1171 C3B HEM A 168 -9.967 -3.711 -7.667 1.00 0.00 C HETATM 1172 C4B HEM A 168 -8.935 -2.899 -7.065 1.00 0.00 C HETATM 1173 CMB HEM A 168 -10.658 -4.247 -10.076 1.00 0.00 C HETATM 1174 CAB HEM A 168 -10.981 -4.514 -6.906 1.00 0.00 C HETATM 1175 CBB HEM A 168 -11.019 -5.990 -7.291 1.00 0.00 C HETATM 1176 C1C HEM A 168 -7.508 -2.191 -5.082 1.00 0.00 C HETATM 1177 C2C HEM A 168 -7.380 -1.869 -3.680 1.00 0.00 C HETATM 1178 C3C HEM A 168 -6.236 -1.167 -3.536 1.00 0.00 C HETATM 1179 C4C HEM A 168 -5.644 -1.048 -4.847 1.00 0.00 C HETATM 1180 CMC HEM A 168 -8.363 -2.262 -2.615 1.00 0.00 C HETATM 1181 CAC HEM A 168 -5.653 -0.600 -2.275 1.00 0.00 C HETATM 1182 CBC HEM A 168 -5.629 -1.580 -1.106 1.00 0.00 C HETATM 1183 C1D HEM A 168 -3.930 -0.153 -6.395 1.00 0.00 C HETATM 1184 C2D HEM A 168 -2.708 0.567 -6.667 1.00 0.00 C HETATM 1185 C3D HEM A 168 -2.547 0.584 -8.007 1.00 0.00 C HETATM 1186 C4D HEM A 168 -3.668 -0.125 -8.578 1.00 0.00 C HETATM 1187 CMD HEM A 168 -1.814 1.167 -5.621 1.00 0.00 C HETATM 1188 CAD HEM A 168 -1.434 1.207 -8.796 1.00 0.00 C HETATM 1189 CBD HEM A 168 -1.382 2.730 -8.701 1.00 0.00 C HETATM 1190 CGD HEM A 168 -0.026 3.261 -9.144 1.00 0.00 C HETATM 1191 O1D HEM A 168 0.341 4.353 -8.659 1.00 0.00 O HETATM 1192 O2D HEM A 168 0.618 2.565 -9.958 1.00 0.00 O HETATM 1193 NA HEM A 168 -6.103 -1.357 -9.810 1.00 0.00 N HETATM 1194 NB HEM A 168 -8.170 -2.291 -8.045 1.00 0.00 N HETATM 1195 NC HEM A 168 -6.434 -1.681 -5.791 1.00 0.00 N HETATM 1196 ND HEM A 168 -4.513 -0.574 -7.577 1.00 0.00 N HETATM 1197 FE HEM A 168 -6.341 -1.560 -7.692 1.00 0.00 FE HETATM 0 HMA1 HEM A 168 -7.829 -2.730 -13.222 1.00 0.00 H new HETATM 0 HMA2 HEM A 168 -6.447 -2.098 -14.148 1.00 0.00 H new HETATM 0 HMA3 HEM A 168 -7.781 -1.013 -13.690 1.00 0.00 H new HETATM 0 HMB1 HEM A 168 -10.680 -3.606 -10.958 1.00 0.00 H new HETATM 0 HMB2 HEM A 168 -11.674 -4.395 -9.710 1.00 0.00 H new HETATM 0 HMB3 HEM A 168 -10.222 -5.211 -10.339 1.00 0.00 H new HETATM 0 HMC1 HEM A 168 -7.840 -2.390 -1.667 1.00 0.00 H new HETATM 0 HMC2 HEM A 168 -8.845 -3.199 -2.893 1.00 0.00 H new HETATM 0 HMC3 HEM A 168 -9.118 -1.482 -2.511 1.00 0.00 H new HETATM 0 HMD1 HEM A 168 -0.784 1.166 -5.978 1.00 0.00 H new HETATM 0 HMD2 HEM A 168 -1.881 0.580 -4.705 1.00 0.00 H new HETATM 0 HMD3 HEM A 168 -2.127 2.191 -5.419 1.00 0.00 H new HETATM 0 HBB1 HEM A 168 -11.720 -6.664 -6.799 1.00 0.00 H new HETATM 0 HBB2 HEM A 168 -10.345 -6.371 -8.058 1.00 0.00 H new HETATM 0 HBC1 HEM A 168 -5.225 -1.269 -0.142 1.00 0.00 H new HETATM 0 HBC2 HEM A 168 -6.015 -2.591 -1.234 1.00 0.00 H new HETATM 0 HBA1 HEM A 168 -4.296 1.405 -12.073 1.00 0.00 H new HETATM 0 HBA2 HEM A 168 -4.728 1.428 -13.771 1.00 0.00 H new HETATM 0 HAA1 HEM A 168 -4.675 -0.860 -13.974 1.00 0.00 H new HETATM 0 HAA2 HEM A 168 -3.343 -1.042 -12.850 1.00 0.00 H new HETATM 0 HBD1 HEM A 168 -1.580 3.040 -7.675 1.00 0.00 H new HETATM 0 HBD2 HEM A 168 -2.166 3.163 -9.322 1.00 0.00 H new HETATM 0 HAD1 HEM A 168 -1.541 0.922 -9.843 1.00 0.00 H new HETATM 0 HAD2 HEM A 168 -0.484 0.799 -8.450 1.00 0.00 H new HETATM 0 HHA HEM A 168 -3.067 -0.048 -10.625 1.00 0.00 H new HETATM 0 HHB HEM A 168 -8.919 -2.529 -11.348 1.00 0.00 H new HETATM 0 HHC HEM A 168 -9.535 -3.065 -5.017 1.00 0.00 H new HETATM 0 HHD HEM A 168 -3.859 -0.024 -4.279 1.00 0.00 H new HETATM 0 HAB HEM A 168 -11.632 -4.082 -6.146 1.00 0.00 H new HETATM 0 HAC HEM A 168 -5.280 0.421 -2.201 1.00 0.00 H new