USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=10 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 52 LYS NZ :NH3+ -114:sc= -2.2 (180deg=-4.2!) USER MOD Set 1.2: A 168 HEM CMC :methyl 150:sc= -8.13! (180deg=-7.85!) USER MOD Set 2.1: A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 168 HEM CMA :methyl -30:sc= -0.839 (180deg=-1.37) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.049 X(o=-0.049,f=-0.24) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -2.64! C(o=-2.6!,f=-4.6!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -156:sc= -0.0126 (180deg=-0.228) USER MOD Single : A 29 LYS NZ :NH3+ -153:sc=-0.000917 (180deg=-0.623) USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0693) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -137:sc= 0 (180deg=-0.0108) 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+ -169:sc= 0 (180deg=-0.0847) 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= -0.332 (180deg=-0.332) USER MOD Single : A 130 HEM CMB :methyl -30:sc= -1.16 (180deg=-4.06!) USER MOD Single : A 130 HEM CMC :methyl 150:sc= -0.376 (180deg=-0.376) USER MOD Single : A 130 HEM CMD :methyl 150:sc= -3.62! (180deg=-3.62!) USER MOD Single : A 154 HEM CMA :methyl 150:sc= -0.212 (180deg=-0.212) USER MOD Single : A 154 HEM CMB :methyl 150:sc= -1.04 (180deg=-1.04) USER MOD Single : A 154 HEM CMC :methyl 150:sc= -8.18! (180deg=-8.18!) USER MOD Single : A 154 HEM CMD :methyl 150:sc= -0.0777 (180deg=-0.0777) USER MOD Single : A 168 HEM CMB :methyl -30:sc= -0.181 (180deg=-1.28) USER MOD Single : A 168 HEM CMD :methyl 150:sc= -0.136 (180deg=-0.136) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.249 13.969 2.819 1.00 0.00 N ATOM 2 CA ALA A 1 5.115 13.082 3.576 1.00 0.00 C ATOM 3 C ALA A 1 4.526 11.670 3.568 1.00 0.00 C ATOM 4 O ALA A 1 4.569 10.982 2.550 1.00 0.00 O ATOM 5 CB ALA A 1 5.294 13.631 4.993 1.00 0.00 C ATOM 0 H1 ALA A 1 4.647 14.930 2.823 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.175 13.629 1.839 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.304 13.984 3.252 1.00 0.00 H new ATOM 0 HA ALA A 1 6.103 13.029 3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.944 12.966 5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.743 14.623 4.945 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.323 13.696 5.483 1.00 0.00 H new ATOM 11 N ASP A 2 3.988 11.281 4.715 1.00 0.00 N ATOM 12 CA ASP A 2 3.391 9.964 4.853 1.00 0.00 C ATOM 13 C ASP A 2 2.297 9.792 3.797 1.00 0.00 C ATOM 14 O ASP A 2 2.083 8.690 3.293 1.00 0.00 O ATOM 15 CB ASP A 2 2.749 9.792 6.231 1.00 0.00 C ATOM 16 CG ASP A 2 3.276 10.737 7.312 1.00 0.00 C ATOM 17 OD1 ASP A 2 4.467 10.713 7.656 1.00 0.00 O ATOM 18 OD2 ASP A 2 2.395 11.533 7.816 1.00 0.00 O ATOM 0 H ASP A 2 3.953 11.855 5.557 1.00 0.00 H new ATOM 0 HA ASP A 2 4.179 9.221 4.727 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.673 9.938 6.135 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.903 8.765 6.561 1.00 0.00 H new ATOM 24 N ASP A 3 1.633 10.898 3.493 1.00 0.00 N ATOM 25 CA ASP A 3 0.567 10.883 2.507 1.00 0.00 C ATOM 26 C ASP A 3 1.173 10.746 1.109 1.00 0.00 C ATOM 27 O ASP A 3 1.907 11.624 0.658 1.00 0.00 O ATOM 28 CB ASP A 3 -0.240 12.182 2.547 1.00 0.00 C ATOM 29 CG ASP A 3 -0.115 12.981 3.847 1.00 0.00 C ATOM 30 OD1 ASP A 3 -0.475 12.497 4.930 1.00 0.00 O ATOM 31 OD2 ASP A 3 0.384 14.163 3.714 1.00 0.00 O ATOM 0 H ASP A 3 1.813 11.810 3.913 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.090 10.044 2.735 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.076 12.814 1.718 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.291 11.944 2.384 1.00 0.00 H new ATOM 37 N ILE A 4 0.843 9.638 0.461 1.00 0.00 N ATOM 38 CA ILE A 4 1.346 9.375 -0.876 1.00 0.00 C ATOM 39 C ILE A 4 0.177 9.016 -1.795 1.00 0.00 C ATOM 40 O ILE A 4 -0.614 8.128 -1.481 1.00 0.00 O ATOM 41 CB ILE A 4 2.446 8.312 -0.836 1.00 0.00 C ATOM 42 CG1 ILE A 4 3.564 8.715 0.127 1.00 0.00 C ATOM 43 CG2 ILE A 4 2.977 8.019 -2.241 1.00 0.00 C ATOM 44 CD1 ILE A 4 4.813 7.860 -0.094 1.00 0.00 C ATOM 0 H ILE A 4 0.233 8.912 0.838 1.00 0.00 H new ATOM 0 HA ILE A 4 1.814 10.269 -1.289 1.00 0.00 H new ATOM 0 HB ILE A 4 2.013 7.387 -0.456 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.810 9.767 -0.015 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.220 8.604 1.155 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.758 7.260 -2.184 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.163 7.656 -2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.389 8.932 -2.672 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.592 8.167 0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.570 6.811 0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.168 7.992 -1.116 1.00 0.00 H new ATOM 56 N VAL A 5 0.104 9.725 -2.912 1.00 0.00 N ATOM 57 CA VAL A 5 -0.956 9.492 -3.878 1.00 0.00 C ATOM 58 C VAL A 5 -0.408 8.661 -5.040 1.00 0.00 C ATOM 59 O VAL A 5 0.528 9.080 -5.720 1.00 0.00 O ATOM 60 CB VAL A 5 -1.556 10.826 -4.328 1.00 0.00 C ATOM 61 CG1 VAL A 5 -2.622 10.612 -5.405 1.00 0.00 C ATOM 62 CG2 VAL A 5 -2.126 11.600 -3.138 1.00 0.00 C ATOM 0 H VAL A 5 0.762 10.461 -3.169 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.767 8.922 -3.425 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.755 11.424 -4.763 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.032 11.575 -5.707 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.173 10.122 -6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.421 9.986 -5.007 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.546 12.544 -3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.907 11.009 -2.660 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.331 11.799 -2.419 1.00 0.00 H new ATOM 72 N LEU A 6 -1.014 7.499 -5.232 1.00 0.00 N ATOM 73 CA LEU A 6 -0.598 6.605 -6.299 1.00 0.00 C ATOM 74 C LEU A 6 -1.519 6.795 -7.506 1.00 0.00 C ATOM 75 O LEU A 6 -2.693 6.431 -7.458 1.00 0.00 O ATOM 76 CB LEU A 6 -0.534 5.162 -5.796 1.00 0.00 C ATOM 77 CG LEU A 6 0.382 4.910 -4.596 1.00 0.00 C ATOM 78 CD1 LEU A 6 0.042 3.582 -3.916 1.00 0.00 C ATOM 79 CD2 LEU A 6 1.854 4.984 -5.005 1.00 0.00 C ATOM 0 H LEU A 6 -1.790 7.156 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 6 0.413 6.849 -6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.543 4.846 -5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.206 4.526 -6.618 1.00 0.00 H new ATOM 0 HG LEU A 6 0.211 5.699 -3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.707 3.427 -3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.991 3.605 -3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.167 2.766 -4.628 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.483 4.801 -4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.059 4.230 -5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.070 5.973 -5.408 1.00 0.00 H new ATOM 91 N LYS A 7 -0.952 7.366 -8.559 1.00 0.00 N ATOM 92 CA LYS A 7 -1.708 7.609 -9.776 1.00 0.00 C ATOM 93 C LYS A 7 -2.167 6.272 -10.361 1.00 0.00 C ATOM 94 O LYS A 7 -1.392 5.318 -10.423 1.00 0.00 O ATOM 95 CB LYS A 7 -0.894 8.461 -10.751 1.00 0.00 C ATOM 96 CG LYS A 7 -0.690 9.875 -10.205 1.00 0.00 C ATOM 97 CD LYS A 7 0.777 10.297 -10.311 1.00 0.00 C ATOM 98 CE LYS A 7 1.574 9.821 -9.095 1.00 0.00 C ATOM 99 NZ LYS A 7 2.364 10.935 -8.525 1.00 0.00 N ATOM 0 H LYS A 7 0.022 7.667 -8.594 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.606 8.187 -9.558 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.074 7.993 -10.928 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.406 8.509 -11.712 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.315 10.576 -10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.010 9.916 -9.164 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.213 9.884 -11.220 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.842 11.382 -10.391 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.895 9.425 -8.340 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.238 9.007 -9.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.899 10.595 -7.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.025 11.294 -9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.724 11.700 -8.231 1.00 0.00 H new ATOM 112 N ALA A 8 -3.425 6.245 -10.777 1.00 0.00 N ATOM 113 CA ALA A 8 -3.996 5.040 -11.356 1.00 0.00 C ATOM 114 C ALA A 8 -5.011 5.429 -12.433 1.00 0.00 C ATOM 115 O ALA A 8 -5.774 6.378 -12.258 1.00 0.00 O ATOM 116 CB ALA A 8 -4.618 4.187 -10.249 1.00 0.00 C ATOM 0 H ALA A 8 -4.065 7.038 -10.725 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.222 4.439 -11.834 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.046 3.283 -10.683 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.850 3.913 -9.526 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.402 4.756 -9.748 1.00 0.00 H new ATOM 122 N LYS A 9 -4.988 4.675 -13.523 1.00 0.00 N ATOM 123 CA LYS A 9 -5.896 4.929 -14.627 1.00 0.00 C ATOM 124 C LYS A 9 -7.297 4.441 -14.252 1.00 0.00 C ATOM 125 O LYS A 9 -8.235 4.572 -15.037 1.00 0.00 O ATOM 126 CB LYS A 9 -5.355 4.313 -15.919 1.00 0.00 C ATOM 127 CG LYS A 9 -5.285 2.788 -15.811 1.00 0.00 C ATOM 128 CD LYS A 9 -5.142 2.147 -17.192 1.00 0.00 C ATOM 129 CE LYS A 9 -3.671 1.901 -17.534 1.00 0.00 C ATOM 130 NZ LYS A 9 -3.550 0.896 -18.613 1.00 0.00 N ATOM 0 H LYS A 9 -4.354 3.888 -13.664 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.972 5.999 -14.819 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.995 4.593 -16.756 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.363 4.712 -16.129 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.440 2.503 -15.184 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.185 2.413 -15.323 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.687 1.204 -17.217 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.591 2.794 -17.945 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.203 2.835 -17.845 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.138 1.557 -16.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.545 0.741 -18.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.979 0.001 -18.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.041 1.239 -19.463 1.00 0.00 H new ATOM 143 N ASN A 10 -7.394 3.887 -13.052 1.00 0.00 N ATOM 144 CA ASN A 10 -8.665 3.378 -12.564 1.00 0.00 C ATOM 145 C ASN A 10 -8.975 4.012 -11.207 1.00 0.00 C ATOM 146 O ASN A 10 -9.645 3.405 -10.372 1.00 0.00 O ATOM 147 CB ASN A 10 -8.615 1.861 -12.377 1.00 0.00 C ATOM 148 CG ASN A 10 -9.898 1.203 -12.887 1.00 0.00 C ATOM 149 OD1 ASN A 10 -10.359 1.453 -13.989 1.00 0.00 O ATOM 150 ND2 ASN A 10 -10.448 0.350 -12.027 1.00 0.00 N ATOM 0 H ASN A 10 -6.614 3.779 -12.404 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.432 3.625 -13.298 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.756 1.453 -12.910 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.476 1.626 -11.322 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.307 -0.141 -12.274 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.010 0.187 -11.120 1.00 0.00 H new ATOM 157 N GLY A 11 -8.473 5.225 -11.027 1.00 0.00 N ATOM 158 CA GLY A 11 -8.688 5.948 -9.785 1.00 0.00 C ATOM 159 C GLY A 11 -7.435 5.917 -8.908 1.00 0.00 C ATOM 160 O GLY A 11 -6.913 4.845 -8.604 1.00 0.00 O ATOM 0 H GLY A 11 -7.918 5.726 -11.721 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.958 6.981 -10.004 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.526 5.508 -9.244 1.00 0.00 H new ATOM 164 N ASP A 12 -6.988 7.104 -8.527 1.00 0.00 N ATOM 165 CA ASP A 12 -5.806 7.226 -7.691 1.00 0.00 C ATOM 166 C ASP A 12 -6.046 6.500 -6.366 1.00 0.00 C ATOM 167 O ASP A 12 -7.191 6.297 -5.964 1.00 0.00 O ATOM 168 CB ASP A 12 -5.502 8.693 -7.378 1.00 0.00 C ATOM 169 CG ASP A 12 -6.485 9.366 -6.418 1.00 0.00 C ATOM 170 OD1 ASP A 12 -6.238 9.452 -5.206 1.00 0.00 O ATOM 171 OD2 ASP A 12 -7.560 9.821 -6.969 1.00 0.00 O ATOM 0 H ASP A 12 -7.423 7.991 -8.782 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.965 6.790 -8.231 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.500 8.758 -6.953 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.489 9.253 -8.313 1.00 0.00 H new ATOM 177 N VAL A 13 -4.948 6.128 -5.724 1.00 0.00 N ATOM 178 CA VAL A 13 -5.025 5.429 -4.453 1.00 0.00 C ATOM 179 C VAL A 13 -4.299 6.245 -3.382 1.00 0.00 C ATOM 180 O VAL A 13 -3.134 6.600 -3.551 1.00 0.00 O ATOM 181 CB VAL A 13 -4.471 4.010 -4.602 1.00 0.00 C ATOM 182 CG1 VAL A 13 -4.557 3.246 -3.279 1.00 0.00 C ATOM 183 CG2 VAL A 13 -5.191 3.254 -5.720 1.00 0.00 C ATOM 0 H VAL A 13 -4.000 6.298 -6.061 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.063 5.327 -4.135 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.419 4.089 -4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.157 2.241 -3.413 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.977 3.769 -2.518 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.598 3.183 -2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.778 2.249 -5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.255 3.191 -5.490 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.054 3.783 -6.663 1.00 0.00 H new ATOM 193 N LYS A 14 -5.019 6.519 -2.303 1.00 0.00 N ATOM 194 CA LYS A 14 -4.457 7.286 -1.205 1.00 0.00 C ATOM 195 C LYS A 14 -3.846 6.329 -0.179 1.00 0.00 C ATOM 196 O LYS A 14 -4.567 5.617 0.517 1.00 0.00 O ATOM 197 CB LYS A 14 -5.510 8.228 -0.616 1.00 0.00 C ATOM 198 CG LYS A 14 -4.856 9.322 0.230 1.00 0.00 C ATOM 199 CD LYS A 14 -4.220 8.733 1.491 1.00 0.00 C ATOM 200 CE LYS A 14 -4.553 9.580 2.720 1.00 0.00 C ATOM 201 NZ LYS A 14 -3.335 9.832 3.522 1.00 0.00 N ATOM 0 H LYS A 14 -5.986 6.223 -2.167 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.651 7.928 -1.562 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.087 8.682 -1.421 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.210 7.659 -0.004 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.096 9.837 -0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.602 10.066 0.508 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.576 7.714 1.640 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.139 8.678 1.365 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.992 10.527 2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.298 9.069 3.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.579 10.408 4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.932 8.926 3.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.636 10.339 2.942 1.00 0.00 H new ATOM 214 N PHE A 15 -2.523 6.344 -0.119 1.00 0.00 N ATOM 215 CA PHE A 15 -1.806 5.486 0.809 1.00 0.00 C ATOM 216 C PHE A 15 -1.134 6.310 1.910 1.00 0.00 C ATOM 217 O PHE A 15 -0.280 7.158 1.661 1.00 0.00 O ATOM 218 CB PHE A 15 -0.728 4.758 0.004 1.00 0.00 C ATOM 219 CG PHE A 15 0.188 3.871 0.851 1.00 0.00 C ATOM 220 CD1 PHE A 15 -0.336 2.843 1.571 1.00 0.00 C ATOM 221 CD2 PHE A 15 1.526 4.111 0.883 1.00 0.00 C ATOM 222 CE1 PHE A 15 0.514 2.020 2.356 1.00 0.00 C ATOM 223 CE2 PHE A 15 2.376 3.288 1.668 1.00 0.00 C ATOM 224 CZ PHE A 15 1.852 2.260 2.388 1.00 0.00 C ATOM 0 H PHE A 15 -1.928 6.937 -0.698 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.499 4.791 1.283 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.210 4.144 -0.757 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.120 5.495 -0.520 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.399 2.653 1.546 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.942 4.927 0.311 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.098 1.204 2.928 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.439 3.478 1.693 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.499 1.634 2.985 1.00 0.00 H new ATOM 234 N PRO A 16 -1.546 6.037 3.150 1.00 0.00 N ATOM 235 CA PRO A 16 -1.046 6.693 4.339 1.00 0.00 C ATOM 236 C PRO A 16 0.254 6.034 4.777 1.00 0.00 C ATOM 237 O PRO A 16 0.202 5.025 5.478 1.00 0.00 O ATOM 238 CB PRO A 16 -2.140 6.494 5.385 1.00 0.00 C ATOM 239 CG PRO A 16 -2.833 5.251 4.964 1.00 0.00 C ATOM 240 CD PRO A 16 -2.549 5.046 3.478 1.00 0.00 C ATOM 0 HA PRO A 16 -0.830 7.750 4.182 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.719 6.395 6.386 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.825 7.342 5.410 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.477 4.399 5.543 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.905 5.331 5.142 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.187 4.037 3.281 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.450 5.184 2.881 1.00 0.00 H new ATOM 248 N HIS A 17 1.377 6.603 4.363 1.00 0.00 N ATOM 249 CA HIS A 17 2.672 6.052 4.724 1.00 0.00 C ATOM 250 C HIS A 17 3.026 6.466 6.153 1.00 0.00 C ATOM 251 O HIS A 17 4.130 6.945 6.409 1.00 0.00 O ATOM 252 CB HIS A 17 3.739 6.461 3.706 1.00 0.00 C ATOM 253 CG HIS A 17 5.092 5.836 3.950 1.00 0.00 C ATOM 254 ND1 HIS A 17 5.959 6.284 4.931 1.00 0.00 N ATOM 255 CD2 HIS A 17 5.717 4.793 3.331 1.00 0.00 C ATOM 256 CE1 HIS A 17 7.053 5.538 4.895 1.00 0.00 C ATOM 257 NE2 HIS A 17 6.902 4.615 3.902 1.00 0.00 N ATOM 0 H HIS A 17 1.417 7.440 3.781 1.00 0.00 H new ATOM 0 HA HIS A 17 2.628 4.963 4.699 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.398 6.187 2.708 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.843 7.546 3.720 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.785 7.057 5.573 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.316 4.211 2.515 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.914 5.642 5.539 1.00 0.00 H new ATOM 265 N LYS A 18 2.069 6.266 7.047 1.00 0.00 N ATOM 266 CA LYS A 18 2.266 6.613 8.444 1.00 0.00 C ATOM 267 C LYS A 18 1.653 5.524 9.327 1.00 0.00 C ATOM 268 O LYS A 18 2.370 4.809 10.025 1.00 0.00 O ATOM 269 CB LYS A 18 1.722 8.014 8.730 1.00 0.00 C ATOM 270 CG LYS A 18 1.285 8.145 10.191 1.00 0.00 C ATOM 271 CD LYS A 18 0.773 9.557 10.485 1.00 0.00 C ATOM 272 CE LYS A 18 -0.632 9.761 9.913 1.00 0.00 C ATOM 273 NZ LYS A 18 -1.653 9.572 10.967 1.00 0.00 N ATOM 0 H LYS A 18 1.155 5.868 6.831 1.00 0.00 H new ATOM 0 HA LYS A 18 3.329 6.654 8.680 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.487 8.758 8.508 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.877 8.221 8.074 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.502 7.418 10.407 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.124 7.914 10.848 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.759 9.726 11.562 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.454 10.292 10.056 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.717 10.762 9.491 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.806 9.057 9.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.600 9.714 10.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.581 8.608 11.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.496 10.261 11.730 1.00 0.00 H new ATOM 286 N ALA A 19 0.332 5.431 9.267 1.00 0.00 N ATOM 287 CA ALA A 19 -0.385 4.442 10.052 1.00 0.00 C ATOM 288 C ALA A 19 0.192 3.054 9.765 1.00 0.00 C ATOM 289 O ALA A 19 0.072 2.146 10.586 1.00 0.00 O ATOM 290 CB ALA A 19 -1.880 4.528 9.740 1.00 0.00 C ATOM 0 H ALA A 19 -0.260 6.025 8.686 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.263 4.636 11.118 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.418 3.785 10.329 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.247 5.524 9.989 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.042 4.336 8.679 1.00 0.00 H new ATOM 296 N HIS A 20 0.805 2.933 8.597 1.00 0.00 N ATOM 297 CA HIS A 20 1.400 1.671 8.191 1.00 0.00 C ATOM 298 C HIS A 20 2.758 1.501 8.875 1.00 0.00 C ATOM 299 O HIS A 20 3.457 0.517 8.639 1.00 0.00 O ATOM 300 CB HIS A 20 1.489 1.577 6.667 1.00 0.00 C ATOM 301 CG HIS A 20 0.182 1.226 5.996 1.00 0.00 C ATOM 302 ND1 HIS A 20 -0.748 2.180 5.620 1.00 0.00 N ATOM 303 CD2 HIS A 20 -0.339 0.018 5.637 1.00 0.00 C ATOM 304 CE1 HIS A 20 -1.779 1.562 5.062 1.00 0.00 C ATOM 305 NE2 HIS A 20 -1.523 0.222 5.074 1.00 0.00 N ATOM 0 H HIS A 20 0.903 3.688 7.919 1.00 0.00 H new ATOM 0 HA HIS A 20 0.764 0.846 8.511 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.843 2.530 6.274 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.234 0.827 6.402 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -0.655 3.187 5.750 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.132 -0.942 5.786 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.666 2.036 4.667 1.00 0.00 H new ATOM 313 N GLN A 21 3.090 2.474 9.710 1.00 0.00 N ATOM 314 CA GLN A 21 4.351 2.445 10.431 1.00 0.00 C ATOM 315 C GLN A 21 4.149 1.860 11.830 1.00 0.00 C ATOM 316 O GLN A 21 4.835 0.916 12.217 1.00 0.00 O ATOM 317 CB GLN A 21 4.974 3.840 10.504 1.00 0.00 C ATOM 318 CG GLN A 21 5.312 4.364 9.106 1.00 0.00 C ATOM 319 CD GLN A 21 5.565 5.872 9.132 1.00 0.00 C ATOM 320 OE1 GLN A 21 5.071 6.596 9.982 1.00 0.00 O ATOM 321 NE2 GLN A 21 6.359 6.305 8.157 1.00 0.00 N ATOM 0 H GLN A 21 2.507 3.288 9.904 1.00 0.00 H new ATOM 0 HA GLN A 21 5.043 1.803 9.887 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.284 4.525 10.996 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.878 3.807 11.112 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.194 3.850 8.725 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.493 4.141 8.422 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.739 5.646 7.478 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.588 7.297 8.088 1.00 0.00 H new ATOM 330 N LYS A 22 3.205 2.447 12.551 1.00 0.00 N ATOM 331 CA LYS A 22 2.905 1.997 13.900 1.00 0.00 C ATOM 332 C LYS A 22 2.288 0.598 13.840 1.00 0.00 C ATOM 333 O LYS A 22 2.389 -0.171 14.795 1.00 0.00 O ATOM 334 CB LYS A 22 2.032 3.023 14.626 1.00 0.00 C ATOM 335 CG LYS A 22 2.842 4.268 14.995 1.00 0.00 C ATOM 336 CD LYS A 22 3.287 4.219 16.458 1.00 0.00 C ATOM 337 CE LYS A 22 2.865 5.487 17.202 1.00 0.00 C ATOM 338 NZ LYS A 22 1.519 5.317 17.794 1.00 0.00 N ATOM 0 H LYS A 22 2.638 3.230 12.227 1.00 0.00 H new ATOM 0 HA LYS A 22 3.820 1.919 14.488 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.192 3.306 13.991 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.613 2.576 15.528 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.716 4.343 14.348 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.241 5.161 14.824 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.853 3.346 16.945 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.370 4.107 16.509 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.588 5.713 17.986 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.863 6.334 16.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.248 6.187 18.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.830 5.123 17.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.532 4.521 18.464 1.00 0.00 H new ATOM 351 N ALA A 23 1.663 0.310 12.708 1.00 0.00 N ATOM 352 CA ALA A 23 1.030 -0.983 12.511 1.00 0.00 C ATOM 353 C ALA A 23 2.083 -2.000 12.068 1.00 0.00 C ATOM 354 O ALA A 23 1.954 -3.193 12.340 1.00 0.00 O ATOM 355 CB ALA A 23 -0.109 -0.845 11.499 1.00 0.00 C ATOM 0 H ALA A 23 1.581 0.950 11.918 1.00 0.00 H new ATOM 0 HA ALA A 23 0.596 -1.343 13.444 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.584 -1.815 11.351 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.845 -0.134 11.874 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.289 -0.488 10.549 1.00 0.00 H new ATOM 361 N VAL A 24 3.103 -1.491 11.392 1.00 0.00 N ATOM 362 CA VAL A 24 4.179 -2.340 10.909 1.00 0.00 C ATOM 363 C VAL A 24 5.517 -1.625 11.109 1.00 0.00 C ATOM 364 O VAL A 24 6.218 -1.275 10.163 1.00 0.00 O ATOM 365 CB VAL A 24 3.922 -2.731 9.452 1.00 0.00 C ATOM 366 CG1 VAL A 24 5.033 -3.642 8.925 1.00 0.00 C ATOM 367 CG2 VAL A 24 2.551 -3.391 9.295 1.00 0.00 C ATOM 0 H VAL A 24 3.207 -0.501 11.167 1.00 0.00 H new ATOM 0 HA VAL A 24 4.219 -3.268 11.479 1.00 0.00 H new ATOM 0 HB VAL A 24 3.925 -1.819 8.855 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.826 -3.905 7.888 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.989 -3.121 8.984 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.076 -4.549 9.528 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.394 -3.659 8.250 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.507 -4.289 9.911 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.774 -2.696 9.612 1.00 0.00 H new ATOM 377 N PRO A 25 5.858 -1.414 12.382 1.00 0.00 N ATOM 378 CA PRO A 25 7.078 -0.758 12.802 1.00 0.00 C ATOM 379 C PRO A 25 8.246 -1.273 11.972 1.00 0.00 C ATOM 380 O PRO A 25 9.236 -0.557 11.832 1.00 0.00 O ATOM 381 CB PRO A 25 7.242 -1.139 14.272 1.00 0.00 C ATOM 382 CG PRO A 25 5.804 -1.271 14.737 1.00 0.00 C ATOM 383 CD PRO A 25 5.058 -1.813 13.520 1.00 0.00 C ATOM 0 HA PRO A 25 7.045 0.323 12.670 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.794 -2.071 14.391 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.781 -0.375 14.832 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.722 -1.948 15.587 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.400 -0.310 15.055 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.956 -2.897 13.570 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.051 -1.401 13.459 1.00 0.00 H new ATOM 391 N ASP A 26 8.114 -2.482 11.447 1.00 0.00 N ATOM 392 CA ASP A 26 9.170 -3.067 10.639 1.00 0.00 C ATOM 393 C ASP A 26 9.097 -2.497 9.221 1.00 0.00 C ATOM 394 O ASP A 26 8.148 -2.770 8.487 1.00 0.00 O ATOM 395 CB ASP A 26 9.017 -4.586 10.547 1.00 0.00 C ATOM 396 CG ASP A 26 10.126 -5.303 9.774 1.00 0.00 C ATOM 397 OD1 ASP A 26 10.892 -4.675 9.028 1.00 0.00 O ATOM 398 OD2 ASP A 26 10.188 -6.577 9.965 1.00 0.00 O ATOM 0 H ASP A 26 7.291 -3.073 11.566 1.00 0.00 H new ATOM 0 HA ASP A 26 10.124 -2.829 11.109 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.977 -4.994 11.557 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.061 -4.812 10.074 1.00 0.00 H new ATOM 404 N CYS A 27 10.111 -1.717 8.877 1.00 0.00 N ATOM 405 CA CYS A 27 10.174 -1.107 7.560 1.00 0.00 C ATOM 406 C CYS A 27 10.788 -2.119 6.591 1.00 0.00 C ATOM 407 O CYS A 27 10.680 -1.964 5.375 1.00 0.00 O ATOM 408 CB CYS A 27 10.955 0.208 7.582 1.00 0.00 C ATOM 409 SG CYS A 27 10.756 1.193 9.112 1.00 0.00 S ATOM 0 H CYS A 27 10.896 -1.493 9.488 1.00 0.00 H new ATOM 0 HA CYS A 27 9.168 -0.850 7.227 1.00 0.00 H new ATOM 0 HB2 CYS A 27 12.014 -0.012 7.443 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.642 0.815 6.733 1.00 0.00 H new ATOM 414 N LYS A 28 11.418 -3.133 7.165 1.00 0.00 N ATOM 415 CA LYS A 28 12.049 -4.170 6.366 1.00 0.00 C ATOM 416 C LYS A 28 10.973 -5.106 5.811 1.00 0.00 C ATOM 417 O LYS A 28 11.270 -5.997 5.016 1.00 0.00 O ATOM 418 CB LYS A 28 13.129 -4.889 7.178 1.00 0.00 C ATOM 419 CG LYS A 28 14.145 -3.893 7.741 1.00 0.00 C ATOM 420 CD LYS A 28 15.570 -4.438 7.624 1.00 0.00 C ATOM 421 CE LYS A 28 16.126 -4.819 8.997 1.00 0.00 C ATOM 422 NZ LYS A 28 16.337 -3.610 9.825 1.00 0.00 N ATOM 0 H LYS A 28 11.505 -3.259 8.173 1.00 0.00 H new ATOM 0 HA LYS A 28 12.563 -3.732 5.511 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.667 -5.443 7.995 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.639 -5.617 6.547 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.068 -2.947 7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 28 13.916 -3.686 8.786 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.577 -5.310 6.970 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.213 -3.689 7.163 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.436 -5.496 9.500 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.068 -5.355 8.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.058 -3.806 10.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.658 -2.827 9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.444 -3.346 10.288 1.00 0.00 H new ATOM 435 N LYS A 29 9.746 -4.871 6.250 1.00 0.00 N ATOM 436 CA LYS A 29 8.624 -5.681 5.807 1.00 0.00 C ATOM 437 C LYS A 29 8.375 -5.429 4.318 1.00 0.00 C ATOM 438 O LYS A 29 8.324 -6.368 3.526 1.00 0.00 O ATOM 439 CB LYS A 29 7.399 -5.427 6.687 1.00 0.00 C ATOM 440 CG LYS A 29 7.276 -6.494 7.777 1.00 0.00 C ATOM 441 CD LYS A 29 6.823 -7.831 7.187 1.00 0.00 C ATOM 442 CE LYS A 29 5.534 -8.316 7.853 1.00 0.00 C ATOM 443 NZ LYS A 29 4.415 -8.304 6.885 1.00 0.00 N ATOM 0 H LYS A 29 9.504 -4.131 6.908 1.00 0.00 H new ATOM 0 HA LYS A 29 8.852 -6.741 5.918 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.474 -4.441 7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.499 -5.425 6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.236 -6.620 8.278 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.563 -6.166 8.533 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.664 -7.724 6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.608 -8.576 7.320 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.676 -9.324 8.242 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.294 -7.677 8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.517 -8.181 7.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.544 -7.519 6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.397 -9.204 6.364 1.00 0.00 H new ATOM 456 N CYS A 30 8.226 -4.155 3.984 1.00 0.00 N ATOM 457 CA CYS A 30 7.984 -3.767 2.604 1.00 0.00 C ATOM 458 C CYS A 30 9.329 -3.434 1.956 1.00 0.00 C ATOM 459 O CYS A 30 9.662 -3.967 0.899 1.00 0.00 O ATOM 460 CB CYS A 30 6.999 -2.600 2.510 1.00 0.00 C ATOM 461 SG CYS A 30 5.569 -2.897 3.612 1.00 0.00 S ATOM 0 H CYS A 30 8.268 -3.379 4.644 1.00 0.00 H new ATOM 0 HA CYS A 30 7.519 -4.593 2.067 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.496 -1.671 2.788 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.658 -2.483 1.481 1.00 0.00 H new ATOM 466 N HIS A 31 10.065 -2.552 2.616 1.00 0.00 N ATOM 467 CA HIS A 31 11.366 -2.141 2.117 1.00 0.00 C ATOM 468 C HIS A 31 12.375 -3.273 2.319 1.00 0.00 C ATOM 469 O HIS A 31 12.873 -3.476 3.425 1.00 0.00 O ATOM 470 CB HIS A 31 11.809 -0.829 2.769 1.00 0.00 C ATOM 471 CG HIS A 31 10.870 0.327 2.522 1.00 0.00 C ATOM 472 ND1 HIS A 31 10.616 0.829 1.257 1.00 0.00 N ATOM 473 CD2 HIS A 31 10.127 1.074 3.389 1.00 0.00 C ATOM 474 CE1 HIS A 31 9.758 1.832 1.370 1.00 0.00 C ATOM 475 NE2 HIS A 31 9.457 1.983 2.692 1.00 0.00 N ATOM 0 H HIS A 31 9.785 -2.111 3.492 1.00 0.00 H new ATOM 0 HA HIS A 31 11.303 -1.944 1.047 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.904 -0.983 3.844 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.799 -0.566 2.396 1.00 0.00 H new ATOM 0 HD1 HIS A 31 11.021 0.485 0.386 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.090 0.947 4.461 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.366 2.426 0.558 1.00 0.00 H new ATOM 483 N GLU A 32 12.646 -3.981 1.232 1.00 0.00 N ATOM 484 CA GLU A 32 13.587 -5.088 1.276 1.00 0.00 C ATOM 485 C GLU A 32 15.022 -4.570 1.158 1.00 0.00 C ATOM 486 O GLU A 32 15.882 -4.927 1.962 1.00 0.00 O ATOM 487 CB GLU A 32 13.281 -6.111 0.179 1.00 0.00 C ATOM 488 CG GLU A 32 13.065 -7.504 0.774 1.00 0.00 C ATOM 489 CD GLU A 32 11.648 -7.647 1.333 1.00 0.00 C ATOM 490 OE1 GLU A 32 10.687 -7.776 0.561 1.00 0.00 O ATOM 491 OE2 GLU A 32 11.565 -7.623 2.620 1.00 0.00 O ATOM 0 H GLU A 32 12.231 -3.810 0.316 1.00 0.00 H new ATOM 0 HA GLU A 32 13.481 -5.592 2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.391 -5.805 -0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.103 -6.140 -0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.236 -8.261 0.009 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.792 -7.682 1.566 1.00 0.00 H new ATOM 499 N LYS A 33 15.236 -3.737 0.150 1.00 0.00 N ATOM 500 CA LYS A 33 16.552 -3.167 -0.083 1.00 0.00 C ATOM 501 C LYS A 33 16.660 -1.829 0.650 1.00 0.00 C ATOM 502 O LYS A 33 17.360 -0.924 0.198 1.00 0.00 O ATOM 503 CB LYS A 33 16.836 -3.071 -1.583 1.00 0.00 C ATOM 504 CG LYS A 33 16.883 -4.461 -2.223 1.00 0.00 C ATOM 505 CD LYS A 33 18.039 -4.567 -3.220 1.00 0.00 C ATOM 506 CE LYS A 33 18.961 -5.735 -2.867 1.00 0.00 C ATOM 507 NZ LYS A 33 18.248 -7.023 -3.016 1.00 0.00 N ATOM 0 H LYS A 33 14.520 -3.443 -0.515 1.00 0.00 H new ATOM 0 HA LYS A 33 17.327 -3.817 0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.064 -2.471 -2.065 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.785 -2.560 -1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.996 -5.219 -1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.940 -4.663 -2.731 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.644 -4.702 -4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.608 -3.637 -3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.838 -5.722 -3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 33 19.318 -5.627 -1.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.938 -7.801 -3.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.603 -7.158 -2.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.701 -7.017 -3.901 1.00 0.00 H new ATOM 520 N GLY A 34 15.957 -1.745 1.770 1.00 0.00 N ATOM 521 CA GLY A 34 15.965 -0.533 2.570 1.00 0.00 C ATOM 522 C GLY A 34 14.924 0.467 2.061 1.00 0.00 C ATOM 523 O GLY A 34 14.293 0.281 1.023 1.00 0.00 O ATOM 0 H GLY A 34 15.378 -2.498 2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.759 -0.779 3.612 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.956 -0.079 2.539 1.00 0.00 H new ATOM 527 N PRO A 35 14.759 1.548 2.827 1.00 0.00 N ATOM 528 CA PRO A 35 13.831 2.620 2.536 1.00 0.00 C ATOM 529 C PRO A 35 14.079 3.141 1.128 1.00 0.00 C ATOM 530 O PRO A 35 15.236 3.217 0.718 1.00 0.00 O ATOM 531 CB PRO A 35 14.134 3.694 3.579 1.00 0.00 C ATOM 532 CG PRO A 35 15.585 3.320 4.148 1.00 0.00 C ATOM 533 CD PRO A 35 15.484 1.799 4.054 1.00 0.00 C ATOM 0 HA PRO A 35 12.789 2.303 2.579 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.129 4.689 3.134 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.387 3.696 4.373 1.00 0.00 H new ATOM 0 HG2 PRO A 35 16.394 3.728 3.542 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.742 3.671 5.168 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.472 1.338 4.030 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.959 1.384 4.915 1.00 0.00 H new ATOM 541 N GLY A 36 13.010 3.483 0.424 1.00 0.00 N ATOM 542 CA GLY A 36 13.136 3.991 -0.931 1.00 0.00 C ATOM 543 C GLY A 36 12.069 3.386 -1.845 1.00 0.00 C ATOM 544 O GLY A 36 11.171 2.687 -1.379 1.00 0.00 O ATOM 0 H GLY A 36 12.052 3.418 0.767 1.00 0.00 H new ATOM 0 HA2 GLY A 36 13.042 5.077 -0.926 1.00 0.00 H new ATOM 0 HA3 GLY A 36 14.127 3.758 -1.320 1.00 0.00 H new ATOM 548 N LYS A 37 12.201 3.679 -3.131 1.00 0.00 N ATOM 549 CA LYS A 37 11.259 3.173 -4.114 1.00 0.00 C ATOM 550 C LYS A 37 11.372 1.648 -4.185 1.00 0.00 C ATOM 551 O LYS A 37 12.431 1.087 -3.911 1.00 0.00 O ATOM 552 CB LYS A 37 11.466 3.867 -5.462 1.00 0.00 C ATOM 553 CG LYS A 37 10.693 5.186 -5.523 1.00 0.00 C ATOM 554 CD LYS A 37 11.639 6.383 -5.398 1.00 0.00 C ATOM 555 CE LYS A 37 11.725 7.153 -6.717 1.00 0.00 C ATOM 556 NZ LYS A 37 13.030 6.914 -7.373 1.00 0.00 N ATOM 0 H LYS A 37 12.946 4.260 -3.514 1.00 0.00 H new ATOM 0 HA LYS A 37 10.237 3.405 -3.815 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.528 4.056 -5.619 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.137 3.211 -6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.145 5.247 -6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.955 5.216 -4.722 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.289 7.047 -4.607 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.632 6.038 -5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.916 6.843 -7.379 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.594 8.219 -6.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.071 7.444 -8.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.797 7.231 -6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.140 5.898 -7.567 1.00 0.00 H new ATOM 569 N ILE A 38 10.264 1.022 -4.553 1.00 0.00 N ATOM 570 CA ILE A 38 10.224 -0.427 -4.663 1.00 0.00 C ATOM 571 C ILE A 38 10.157 -0.820 -6.140 1.00 0.00 C ATOM 572 O ILE A 38 9.204 -0.473 -6.836 1.00 0.00 O ATOM 573 CB ILE A 38 9.081 -0.997 -3.822 1.00 0.00 C ATOM 574 CG1 ILE A 38 9.191 -0.540 -2.365 1.00 0.00 C ATOM 575 CG2 ILE A 38 9.019 -2.521 -3.942 1.00 0.00 C ATOM 576 CD1 ILE A 38 7.916 -0.876 -1.588 1.00 0.00 C ATOM 0 H ILE A 38 9.387 1.491 -4.779 1.00 0.00 H new ATOM 0 HA ILE A 38 11.136 -0.865 -4.257 1.00 0.00 H new ATOM 0 HB ILE A 38 8.142 -0.605 -4.212 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.047 -1.022 -1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.370 0.535 -2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.198 -2.901 -3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.858 -2.798 -4.984 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.958 -2.952 -3.593 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.020 -0.541 -0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.066 -0.373 -2.049 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.753 -1.954 -1.605 1.00 0.00 H new ATOM 588 N GLU A 39 11.181 -1.539 -6.575 1.00 0.00 N ATOM 589 CA GLU A 39 11.250 -1.984 -7.957 1.00 0.00 C ATOM 590 C GLU A 39 10.407 -3.246 -8.151 1.00 0.00 C ATOM 591 O GLU A 39 10.491 -4.181 -7.357 1.00 0.00 O ATOM 592 CB GLU A 39 12.699 -2.221 -8.385 1.00 0.00 C ATOM 593 CG GLU A 39 13.490 -0.912 -8.393 1.00 0.00 C ATOM 594 CD GLU A 39 13.275 -0.150 -9.703 1.00 0.00 C ATOM 595 OE1 GLU A 39 12.165 -0.169 -10.255 1.00 0.00 O ATOM 596 OE2 GLU A 39 14.311 0.479 -10.144 1.00 0.00 O ATOM 0 H GLU A 39 11.970 -1.825 -5.995 1.00 0.00 H new ATOM 0 HA GLU A 39 10.843 -1.198 -8.592 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.171 -2.931 -7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.720 -2.669 -9.379 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.181 -0.291 -7.552 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.551 -1.123 -8.261 1.00 0.00 H new ATOM 604 N GLY A 40 9.614 -3.232 -9.212 1.00 0.00 N ATOM 605 CA GLY A 40 8.757 -4.363 -9.521 1.00 0.00 C ATOM 606 C GLY A 40 7.302 -4.066 -9.153 1.00 0.00 C ATOM 607 O GLY A 40 6.383 -4.466 -9.866 1.00 0.00 O ATOM 0 H GLY A 40 9.547 -2.454 -9.869 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.827 -4.597 -10.583 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.101 -5.243 -8.978 1.00 0.00 H new ATOM 611 N PHE A 41 7.138 -3.366 -8.039 1.00 0.00 N ATOM 612 CA PHE A 41 5.811 -3.011 -7.567 1.00 0.00 C ATOM 613 C PHE A 41 4.900 -2.623 -8.734 1.00 0.00 C ATOM 614 O PHE A 41 5.378 -2.322 -9.826 1.00 0.00 O ATOM 615 CB PHE A 41 5.974 -1.804 -6.641 1.00 0.00 C ATOM 616 CG PHE A 41 4.665 -1.320 -6.013 1.00 0.00 C ATOM 617 CD1 PHE A 41 4.242 -1.844 -4.832 1.00 0.00 C ATOM 618 CD2 PHE A 41 3.925 -0.364 -6.637 1.00 0.00 C ATOM 619 CE1 PHE A 41 3.027 -1.395 -4.250 1.00 0.00 C ATOM 620 CE2 PHE A 41 2.710 0.085 -6.055 1.00 0.00 C ATOM 621 CZ PHE A 41 2.287 -0.439 -4.874 1.00 0.00 C ATOM 0 H PHE A 41 7.903 -3.036 -7.450 1.00 0.00 H new ATOM 0 HA PHE A 41 5.359 -3.860 -7.054 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.673 -2.061 -5.845 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.420 -0.984 -7.205 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.830 -2.602 -4.336 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.261 0.053 -7.575 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.691 -1.812 -3.312 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.122 0.843 -6.551 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.363 -0.096 -4.431 1.00 0.00 H new ATOM 631 N GLY A 42 3.603 -2.644 -8.462 1.00 0.00 N ATOM 632 CA GLY A 42 2.621 -2.298 -9.476 1.00 0.00 C ATOM 633 C GLY A 42 1.238 -2.841 -9.107 1.00 0.00 C ATOM 634 O GLY A 42 0.930 -3.016 -7.929 1.00 0.00 O ATOM 0 H GLY A 42 3.210 -2.895 -7.555 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.573 -1.215 -9.586 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.930 -2.703 -10.440 1.00 0.00 H new ATOM 638 N LYS A 43 0.443 -3.093 -10.136 1.00 0.00 N ATOM 639 CA LYS A 43 -0.899 -3.612 -9.935 1.00 0.00 C ATOM 640 C LYS A 43 -0.817 -4.967 -9.229 1.00 0.00 C ATOM 641 O LYS A 43 -1.045 -5.058 -8.024 1.00 0.00 O ATOM 642 CB LYS A 43 -1.661 -3.655 -11.261 1.00 0.00 C ATOM 643 CG LYS A 43 -3.168 -3.773 -11.024 1.00 0.00 C ATOM 644 CD LYS A 43 -3.806 -4.743 -12.021 1.00 0.00 C ATOM 645 CE LYS A 43 -5.021 -4.110 -12.701 1.00 0.00 C ATOM 646 NZ LYS A 43 -5.549 -5.004 -13.756 1.00 0.00 N ATOM 0 H LYS A 43 0.702 -2.947 -11.112 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.471 -2.948 -9.286 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.449 -2.753 -11.836 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.316 -4.501 -11.856 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.354 -4.117 -10.007 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.632 -2.791 -11.118 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.072 -5.031 -12.774 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.108 -5.654 -11.505 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.797 -3.912 -11.962 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.743 -3.150 -13.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.374 -4.559 -14.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.812 -5.172 -14.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.833 -5.910 -13.333 1.00 0.00 H new ATOM 659 N GLU A 44 -0.489 -5.986 -10.010 1.00 0.00 N ATOM 660 CA GLU A 44 -0.374 -7.332 -9.475 1.00 0.00 C ATOM 661 C GLU A 44 0.180 -7.291 -8.049 1.00 0.00 C ATOM 662 O GLU A 44 -0.214 -8.091 -7.202 1.00 0.00 O ATOM 663 CB GLU A 44 0.498 -8.208 -10.377 1.00 0.00 C ATOM 664 CG GLU A 44 -0.283 -8.679 -11.605 1.00 0.00 C ATOM 665 CD GLU A 44 -1.447 -7.733 -11.910 1.00 0.00 C ATOM 666 OE1 GLU A 44 -2.591 -8.012 -11.522 1.00 0.00 O ATOM 667 OE2 GLU A 44 -1.129 -6.674 -12.575 1.00 0.00 O ATOM 0 H GLU A 44 -0.299 -5.906 -11.009 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.369 -7.776 -9.445 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.377 -7.647 -10.694 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.855 -9.071 -9.816 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.383 -8.731 -12.466 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.663 -9.686 -11.434 1.00 0.00 H new ATOM 675 N MET A 45 1.087 -6.350 -7.828 1.00 0.00 N ATOM 676 CA MET A 45 1.699 -6.193 -6.520 1.00 0.00 C ATOM 677 C MET A 45 0.698 -5.629 -5.510 1.00 0.00 C ATOM 678 O MET A 45 0.430 -6.250 -4.482 1.00 0.00 O ATOM 679 CB MET A 45 2.901 -5.253 -6.628 1.00 0.00 C ATOM 680 CG MET A 45 4.022 -5.685 -5.681 1.00 0.00 C ATOM 681 SD MET A 45 5.020 -6.948 -6.453 1.00 0.00 S ATOM 682 CE MET A 45 6.312 -7.112 -5.232 1.00 0.00 C ATOM 0 H MET A 45 1.412 -5.689 -8.533 1.00 0.00 H new ATOM 0 HA MET A 45 2.024 -7.173 -6.172 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.270 -5.245 -7.654 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.593 -4.234 -6.392 1.00 0.00 H new ATOM 0 HG2 MET A 45 4.642 -4.827 -5.423 1.00 0.00 H new ATOM 0 HG3 MET A 45 3.598 -6.063 -4.751 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.027 -7.867 -5.558 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.822 -6.156 -5.112 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.876 -7.413 -4.279 1.00 0.00 H new ATOM 692 N ALA A 46 0.172 -4.458 -5.837 1.00 0.00 N ATOM 693 CA ALA A 46 -0.794 -3.803 -4.971 1.00 0.00 C ATOM 694 C ALA A 46 -1.908 -4.790 -4.619 1.00 0.00 C ATOM 695 O ALA A 46 -2.230 -4.976 -3.446 1.00 0.00 O ATOM 696 CB ALA A 46 -1.325 -2.544 -5.659 1.00 0.00 C ATOM 0 H ALA A 46 0.396 -3.946 -6.690 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.324 -3.491 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.050 -2.053 -5.010 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.498 -1.863 -5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.806 -2.818 -6.598 1.00 0.00 H new ATOM 702 N HIS A 47 -2.467 -5.397 -5.656 1.00 0.00 N ATOM 703 CA HIS A 47 -3.539 -6.360 -5.470 1.00 0.00 C ATOM 704 C HIS A 47 -2.972 -7.650 -4.874 1.00 0.00 C ATOM 705 O HIS A 47 -3.636 -8.315 -4.080 1.00 0.00 O ATOM 706 CB HIS A 47 -4.292 -6.594 -6.782 1.00 0.00 C ATOM 707 CG HIS A 47 -4.833 -5.333 -7.412 1.00 0.00 C ATOM 708 ND1 HIS A 47 -4.979 -5.182 -8.780 1.00 0.00 N ATOM 709 CD2 HIS A 47 -5.264 -4.169 -6.848 1.00 0.00 C ATOM 710 CE1 HIS A 47 -5.474 -3.976 -9.017 1.00 0.00 C ATOM 711 NE2 HIS A 47 -5.649 -3.350 -7.819 1.00 0.00 N ATOM 0 H HIS A 47 -2.198 -5.241 -6.627 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.270 -5.965 -4.764 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.624 -7.084 -7.490 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.119 -7.280 -6.597 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -4.745 -5.880 -9.486 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.288 -3.950 -5.791 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.699 -3.562 -9.989 1.00 0.00 H new ATOM 719 N GLY A 48 -1.751 -7.965 -5.279 1.00 0.00 N ATOM 720 CA GLY A 48 -1.087 -9.163 -4.794 1.00 0.00 C ATOM 721 C GLY A 48 -0.569 -8.964 -3.368 1.00 0.00 C ATOM 722 O GLY A 48 -1.262 -8.395 -2.526 1.00 0.00 O ATOM 0 H GLY A 48 -1.204 -7.411 -5.938 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.781 -10.003 -4.819 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.257 -9.416 -5.454 1.00 0.00 H new ATOM 726 N LYS A 49 0.645 -9.445 -3.141 1.00 0.00 N ATOM 727 CA LYS A 49 1.263 -9.327 -1.832 1.00 0.00 C ATOM 728 C LYS A 49 1.928 -7.955 -1.708 1.00 0.00 C ATOM 729 O LYS A 49 3.054 -7.847 -1.226 1.00 0.00 O ATOM 730 CB LYS A 49 2.217 -10.497 -1.583 1.00 0.00 C ATOM 731 CG LYS A 49 3.460 -10.389 -2.470 1.00 0.00 C ATOM 732 CD LYS A 49 4.690 -10.961 -1.762 1.00 0.00 C ATOM 733 CE LYS A 49 5.979 -10.413 -2.375 1.00 0.00 C ATOM 734 NZ LYS A 49 6.174 -10.951 -3.740 1.00 0.00 N ATOM 0 H LYS A 49 1.217 -9.917 -3.842 1.00 0.00 H new ATOM 0 HA LYS A 49 0.508 -9.388 -1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.514 -10.512 -0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.704 -11.438 -1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.292 -10.924 -3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.637 -9.345 -2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.653 -10.711 -0.702 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.683 -12.049 -1.834 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.938 -9.324 -2.409 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.829 -10.680 -1.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.054 -10.569 -4.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.234 -11.988 -3.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.371 -10.674 -4.340 1.00 0.00 H new ATOM 747 N GLY A 50 1.201 -6.939 -2.151 1.00 0.00 N ATOM 748 CA GLY A 50 1.706 -5.577 -2.096 1.00 0.00 C ATOM 749 C GLY A 50 0.859 -4.716 -1.158 1.00 0.00 C ATOM 750 O GLY A 50 1.376 -4.136 -0.205 1.00 0.00 O ATOM 0 H GLY A 50 0.267 -7.032 -2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.741 -5.583 -1.755 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.702 -5.143 -3.096 1.00 0.00 H new ATOM 754 N CYS A 51 -0.430 -4.659 -1.461 1.00 0.00 N ATOM 755 CA CYS A 51 -1.354 -3.878 -0.657 1.00 0.00 C ATOM 756 C CYS A 51 -2.434 -4.818 -0.117 1.00 0.00 C ATOM 757 O CYS A 51 -2.340 -5.294 1.013 1.00 0.00 O ATOM 758 CB CYS A 51 -1.954 -2.717 -1.452 1.00 0.00 C ATOM 759 SG CYS A 51 -0.735 -1.498 -2.067 1.00 0.00 S ATOM 0 H CYS A 51 -0.856 -5.141 -2.252 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.819 -3.423 0.177 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.502 -3.122 -2.302 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.678 -2.200 -0.823 1.00 0.00 H new ATOM 764 N LYS A 52 -3.436 -5.057 -0.951 1.00 0.00 N ATOM 765 CA LYS A 52 -4.533 -5.932 -0.572 1.00 0.00 C ATOM 766 C LYS A 52 -3.970 -7.194 0.084 1.00 0.00 C ATOM 767 O LYS A 52 -4.443 -7.614 1.138 1.00 0.00 O ATOM 768 CB LYS A 52 -5.433 -6.214 -1.776 1.00 0.00 C ATOM 769 CG LYS A 52 -6.372 -5.037 -2.047 1.00 0.00 C ATOM 770 CD LYS A 52 -7.801 -5.522 -2.302 1.00 0.00 C ATOM 771 CE LYS A 52 -7.929 -6.144 -3.693 1.00 0.00 C ATOM 772 NZ LYS A 52 -9.078 -5.559 -4.420 1.00 0.00 N ATOM 0 H LYS A 52 -3.511 -4.660 -1.888 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.170 -5.446 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.819 -6.404 -2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.018 -7.116 -1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.362 -4.356 -1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.016 -4.474 -2.910 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.081 -6.255 -1.545 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.495 -4.686 -2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.012 -5.978 -4.258 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.058 -7.223 -3.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.802 -6.290 -4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.483 -4.781 -3.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.758 -5.194 -5.340 1.00 0.00 H new ATOM 785 N GLY A 53 -2.966 -7.764 -0.568 1.00 0.00 N ATOM 786 CA GLY A 53 -2.334 -8.970 -0.061 1.00 0.00 C ATOM 787 C GLY A 53 -2.296 -8.968 1.468 1.00 0.00 C ATOM 788 O GLY A 53 -2.992 -9.752 2.111 1.00 0.00 O ATOM 0 H GLY A 53 -2.575 -7.413 -1.442 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.879 -9.846 -0.414 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.320 -9.046 -0.453 1.00 0.00 H new ATOM 792 N CYS A 54 -1.475 -8.078 2.007 1.00 0.00 N ATOM 793 CA CYS A 54 -1.337 -7.963 3.449 1.00 0.00 C ATOM 794 C CYS A 54 -2.730 -7.772 4.051 1.00 0.00 C ATOM 795 O CYS A 54 -3.060 -8.381 5.067 1.00 0.00 O ATOM 796 CB CYS A 54 -0.386 -6.829 3.838 1.00 0.00 C ATOM 797 SG CYS A 54 -0.069 -6.869 5.640 1.00 0.00 S ATOM 0 H CYS A 54 -0.899 -7.430 1.471 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.892 -8.874 3.848 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.553 -6.927 3.293 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.818 -5.868 3.558 1.00 0.00 H new ATOM 802 N HIS A 55 -3.511 -6.923 3.398 1.00 0.00 N ATOM 803 CA HIS A 55 -4.861 -6.644 3.856 1.00 0.00 C ATOM 804 C HIS A 55 -5.634 -7.956 4.007 1.00 0.00 C ATOM 805 O HIS A 55 -5.926 -8.384 5.123 1.00 0.00 O ATOM 806 CB HIS A 55 -5.557 -5.650 2.924 1.00 0.00 C ATOM 807 CG HIS A 55 -5.007 -4.246 3.003 1.00 0.00 C ATOM 808 ND1 HIS A 55 -5.502 -3.203 2.240 1.00 0.00 N ATOM 809 CD2 HIS A 55 -4.003 -3.723 3.763 1.00 0.00 C ATOM 810 CE1 HIS A 55 -4.818 -2.108 2.534 1.00 0.00 C ATOM 811 NE2 HIS A 55 -3.889 -2.432 3.479 1.00 0.00 N ATOM 0 H HIS A 55 -3.234 -6.419 2.555 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.825 -6.169 4.837 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.469 -6.007 1.898 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.620 -5.627 3.163 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -6.264 -3.267 1.565 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.402 -4.268 4.476 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -4.969 -1.130 2.102 1.00 0.00 H new ATOM 819 N GLU A 56 -5.942 -8.558 2.868 1.00 0.00 N ATOM 820 CA GLU A 56 -6.675 -9.813 2.859 1.00 0.00 C ATOM 821 C GLU A 56 -5.904 -10.883 3.634 1.00 0.00 C ATOM 822 O GLU A 56 -6.485 -11.871 4.080 1.00 0.00 O ATOM 823 CB GLU A 56 -6.960 -10.271 1.428 1.00 0.00 C ATOM 824 CG GLU A 56 -5.811 -9.892 0.491 1.00 0.00 C ATOM 825 CD GLU A 56 -5.746 -10.840 -0.708 1.00 0.00 C ATOM 826 OE1 GLU A 56 -4.768 -11.589 -0.854 1.00 0.00 O ATOM 827 OE2 GLU A 56 -6.758 -10.781 -1.506 1.00 0.00 O ATOM 0 H GLU A 56 -5.697 -8.200 1.945 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.634 -9.655 3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.107 -11.351 1.411 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.886 -9.818 1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.944 -8.868 0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.867 -9.923 1.036 1.00 0.00 H new ATOM 835 N GLU A 57 -4.606 -10.651 3.770 1.00 0.00 N ATOM 836 CA GLU A 57 -3.750 -11.583 4.484 1.00 0.00 C ATOM 837 C GLU A 57 -4.120 -11.615 5.968 1.00 0.00 C ATOM 838 O GLU A 57 -4.378 -12.681 6.524 1.00 0.00 O ATOM 839 CB GLU A 57 -2.274 -11.226 4.294 1.00 0.00 C ATOM 840 CG GLU A 57 -1.375 -12.163 5.104 1.00 0.00 C ATOM 841 CD GLU A 57 0.009 -11.546 5.317 1.00 0.00 C ATOM 842 OE1 GLU A 57 0.866 -11.623 4.424 1.00 0.00 O ATOM 843 OE2 GLU A 57 0.179 -10.970 6.458 1.00 0.00 O ATOM 0 H GLU A 57 -4.127 -9.831 3.398 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.906 -12.579 4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.014 -11.290 3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.103 -10.195 4.603 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.837 -12.372 6.069 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.276 -13.117 4.585 1.00 0.00 H new ATOM 851 N MET A 58 -4.134 -10.433 6.567 1.00 0.00 N ATOM 852 CA MET A 58 -4.468 -10.312 7.976 1.00 0.00 C ATOM 853 C MET A 58 -5.975 -10.134 8.168 1.00 0.00 C ATOM 854 O MET A 58 -6.462 -10.116 9.298 1.00 0.00 O ATOM 855 CB MET A 58 -3.731 -9.112 8.574 1.00 0.00 C ATOM 856 CG MET A 58 -2.215 -9.296 8.478 1.00 0.00 C ATOM 857 SD MET A 58 -1.546 -9.693 10.084 1.00 0.00 S ATOM 858 CE MET A 58 -1.558 -8.074 10.835 1.00 0.00 C ATOM 0 H MET A 58 -3.919 -9.551 6.102 1.00 0.00 H new ATOM 0 HA MET A 58 -4.162 -11.227 8.483 1.00 0.00 H new ATOM 0 HB2 MET A 58 -4.024 -8.202 8.050 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.020 -8.986 9.617 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.981 -10.092 7.771 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.753 -8.385 8.097 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.626 -7.918 11.378 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.658 -7.314 10.060 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.397 -8.000 11.526 1.00 0.00 H new ATOM 868 N LYS A 59 -6.672 -10.006 7.049 1.00 0.00 N ATOM 869 CA LYS A 59 -8.114 -9.830 7.080 1.00 0.00 C ATOM 870 C LYS A 59 -8.440 -8.415 7.563 1.00 0.00 C ATOM 871 O LYS A 59 -9.589 -8.114 7.884 1.00 0.00 O ATOM 872 CB LYS A 59 -8.770 -10.931 7.914 1.00 0.00 C ATOM 873 CG LYS A 59 -9.492 -11.941 7.019 1.00 0.00 C ATOM 874 CD LYS A 59 -10.679 -11.290 6.306 1.00 0.00 C ATOM 875 CE LYS A 59 -11.955 -12.111 6.503 1.00 0.00 C ATOM 876 NZ LYS A 59 -12.817 -11.489 7.532 1.00 0.00 N ATOM 0 H LYS A 59 -6.265 -10.021 6.114 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.532 -9.930 6.078 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.012 -11.442 8.508 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.479 -10.488 8.614 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.796 -12.342 6.282 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.840 -12.781 7.620 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.829 -10.281 6.689 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.462 -11.198 5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.498 -12.183 5.560 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.698 -13.128 6.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.679 -12.059 7.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.302 -11.443 8.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.077 -10.528 7.232 1.00 0.00 H new ATOM 889 N LYS A 60 -7.408 -7.584 7.601 1.00 0.00 N ATOM 890 CA LYS A 60 -7.571 -6.209 8.040 1.00 0.00 C ATOM 891 C LYS A 60 -7.215 -5.265 6.889 1.00 0.00 C ATOM 892 O LYS A 60 -6.330 -5.563 6.089 1.00 0.00 O ATOM 893 CB LYS A 60 -6.764 -5.955 9.315 1.00 0.00 C ATOM 894 CG LYS A 60 -7.136 -6.958 10.408 1.00 0.00 C ATOM 895 CD LYS A 60 -8.535 -6.675 10.960 1.00 0.00 C ATOM 896 CE LYS A 60 -8.642 -7.095 12.427 1.00 0.00 C ATOM 897 NZ LYS A 60 -10.019 -7.537 12.741 1.00 0.00 N ATOM 0 H LYS A 60 -6.456 -7.837 7.335 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.611 -6.014 8.303 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.699 -6.029 9.096 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.947 -4.941 9.670 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.098 -7.970 10.006 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.406 -6.908 11.216 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.759 -5.612 10.865 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.278 -7.211 10.370 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.939 -7.902 12.632 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.366 -6.260 13.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.074 -7.818 13.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.683 -6.756 12.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.269 -8.347 12.139 1.00 0.00 H new ATOM 910 N GLY A 61 -7.924 -4.147 6.843 1.00 0.00 N ATOM 911 CA GLY A 61 -7.694 -3.158 5.803 1.00 0.00 C ATOM 912 C GLY A 61 -8.708 -3.311 4.667 1.00 0.00 C ATOM 913 O GLY A 61 -9.426 -4.302 4.563 1.00 0.00 O ATOM 0 H GLY A 61 -8.658 -3.904 7.509 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.765 -2.156 6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.683 -3.267 5.410 1.00 0.00 H new ATOM 917 N PRO A 62 -8.748 -2.292 3.806 1.00 0.00 N ATOM 918 CA PRO A 62 -9.629 -2.227 2.660 1.00 0.00 C ATOM 919 C PRO A 62 -9.163 -3.218 1.602 1.00 0.00 C ATOM 920 O PRO A 62 -8.016 -3.129 1.169 1.00 0.00 O ATOM 921 CB PRO A 62 -9.509 -0.791 2.154 1.00 0.00 C ATOM 922 CG PRO A 62 -8.121 -0.381 2.573 1.00 0.00 C ATOM 923 CD PRO A 62 -7.918 -1.111 3.899 1.00 0.00 C ATOM 0 HA PRO A 62 -10.661 -2.481 2.903 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.634 -0.735 1.073 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.268 -0.146 2.596 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.375 -0.676 1.834 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.041 0.699 2.693 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.871 -1.375 4.048 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.213 -0.487 4.743 1.00 0.00 H new ATOM 931 N THR A 63 -10.043 -4.129 1.214 1.00 0.00 N ATOM 932 CA THR A 63 -9.699 -5.123 0.212 1.00 0.00 C ATOM 933 C THR A 63 -10.666 -5.043 -0.972 1.00 0.00 C ATOM 934 O THR A 63 -10.451 -5.687 -1.998 1.00 0.00 O ATOM 935 CB THR A 63 -9.682 -6.494 0.891 1.00 0.00 C ATOM 936 OG1 THR A 63 -11.047 -6.736 1.220 1.00 0.00 O ATOM 937 CG2 THR A 63 -8.971 -6.467 2.245 1.00 0.00 C ATOM 0 H THR A 63 -10.994 -4.200 1.576 1.00 0.00 H new ATOM 0 HA THR A 63 -8.709 -4.939 -0.204 1.00 0.00 H new ATOM 0 HB THR A 63 -9.192 -7.216 0.238 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.127 -7.606 1.663 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.987 -7.464 2.684 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.938 -6.148 2.107 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.481 -5.769 2.910 1.00 0.00 H new ATOM 945 N LYS A 64 -11.710 -4.248 -0.789 1.00 0.00 N ATOM 946 CA LYS A 64 -12.711 -4.076 -1.829 1.00 0.00 C ATOM 947 C LYS A 64 -12.336 -2.874 -2.697 1.00 0.00 C ATOM 948 O LYS A 64 -11.608 -1.987 -2.254 1.00 0.00 O ATOM 949 CB LYS A 64 -14.109 -3.981 -1.216 1.00 0.00 C ATOM 950 CG LYS A 64 -14.319 -5.065 -0.156 1.00 0.00 C ATOM 951 CD LYS A 64 -14.175 -4.488 1.254 1.00 0.00 C ATOM 952 CE LYS A 64 -14.723 -5.459 2.301 1.00 0.00 C ATOM 953 NZ LYS A 64 -16.203 -5.444 2.299 1.00 0.00 N ATOM 0 H LYS A 64 -11.885 -3.716 0.063 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.735 -4.947 -2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.247 -2.997 -0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.861 -4.083 -1.999 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.309 -5.506 -0.273 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.594 -5.866 -0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.125 -4.279 1.460 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.707 -3.539 1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.364 -6.467 2.094 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.352 -5.185 3.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.557 -5.960 3.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.540 -4.461 2.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.554 -5.901 1.433 1.00 0.00 H new ATOM 966 N CYS A 65 -12.852 -2.882 -3.918 1.00 0.00 N ATOM 967 CA CYS A 65 -12.581 -1.803 -4.852 1.00 0.00 C ATOM 968 C CYS A 65 -13.332 -0.557 -4.378 1.00 0.00 C ATOM 969 O CYS A 65 -14.294 -0.660 -3.618 1.00 0.00 O ATOM 970 CB CYS A 65 -12.958 -2.186 -6.284 1.00 0.00 C ATOM 971 SG CYS A 65 -12.918 -3.982 -6.633 1.00 0.00 S ATOM 0 H CYS A 65 -13.456 -3.619 -4.281 1.00 0.00 H new ATOM 0 HA CYS A 65 -11.511 -1.596 -4.871 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.960 -1.812 -6.494 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -12.279 -1.681 -6.971 1.00 0.00 H new ATOM 976 N GLY A 66 -12.865 0.591 -4.847 1.00 0.00 N ATOM 977 CA GLY A 66 -13.481 1.855 -4.481 1.00 0.00 C ATOM 978 C GLY A 66 -12.881 2.402 -3.184 1.00 0.00 C ATOM 979 O GLY A 66 -12.744 3.613 -3.022 1.00 0.00 O ATOM 0 H GLY A 66 -12.067 0.672 -5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.340 2.578 -5.284 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.556 1.718 -4.360 1.00 0.00 H new ATOM 983 N GLU A 67 -12.540 1.482 -2.293 1.00 0.00 N ATOM 984 CA GLU A 67 -11.958 1.857 -1.016 1.00 0.00 C ATOM 985 C GLU A 67 -10.518 2.336 -1.209 1.00 0.00 C ATOM 986 O GLU A 67 -9.965 3.015 -0.345 1.00 0.00 O ATOM 987 CB GLU A 67 -12.021 0.695 -0.022 1.00 0.00 C ATOM 988 CG GLU A 67 -12.552 1.162 1.334 1.00 0.00 C ATOM 989 CD GLU A 67 -12.602 0.003 2.332 1.00 0.00 C ATOM 990 OE1 GLU A 67 -12.801 -1.153 1.930 1.00 0.00 O ATOM 991 OE2 GLU A 67 -12.426 0.337 3.565 1.00 0.00 O ATOM 0 H GLU A 67 -12.656 0.478 -2.431 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.541 2.679 -0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.664 -0.092 -0.417 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.028 0.263 0.101 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.915 1.956 1.724 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.549 1.585 1.212 1.00 0.00 H new ATOM 999 N CYS A 68 -9.951 1.963 -2.347 1.00 0.00 N ATOM 1000 CA CYS A 68 -8.586 2.345 -2.664 1.00 0.00 C ATOM 1001 C CYS A 68 -8.622 3.320 -3.843 1.00 0.00 C ATOM 1002 O CYS A 68 -7.998 4.378 -3.798 1.00 0.00 O ATOM 1003 CB CYS A 68 -7.710 1.126 -2.958 1.00 0.00 C ATOM 1004 SG CYS A 68 -6.572 0.821 -1.558 1.00 0.00 S ATOM 0 H CYS A 68 -10.413 1.400 -3.061 1.00 0.00 H new ATOM 0 HA CYS A 68 -8.134 2.835 -1.802 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.336 0.250 -3.126 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.139 1.290 -3.872 1.00 0.00 H new ATOM 1009 N HIS A 69 -9.359 2.927 -4.872 1.00 0.00 N ATOM 1010 CA HIS A 69 -9.484 3.752 -6.061 1.00 0.00 C ATOM 1011 C HIS A 69 -10.636 4.742 -5.879 1.00 0.00 C ATOM 1012 O HIS A 69 -11.802 4.378 -6.027 1.00 0.00 O ATOM 1013 CB HIS A 69 -9.641 2.884 -7.311 1.00 0.00 C ATOM 1014 CG HIS A 69 -8.495 1.928 -7.543 1.00 0.00 C ATOM 1015 ND1 HIS A 69 -7.245 2.345 -7.966 1.00 0.00 N ATOM 1016 CD2 HIS A 69 -8.422 0.573 -7.404 1.00 0.00 C ATOM 1017 CE1 HIS A 69 -6.464 1.281 -8.075 1.00 0.00 C ATOM 1018 NE2 HIS A 69 -7.195 0.184 -7.727 1.00 0.00 N ATOM 0 H HIS A 69 -9.875 2.048 -4.906 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.571 4.331 -6.204 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.566 2.313 -7.231 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.741 3.533 -8.181 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -6.972 3.308 -8.161 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.226 -0.074 -7.085 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.429 1.282 -8.385 1.00 0.00 H new ATOM 1026 N LYS A 70 -10.270 5.975 -5.562 1.00 0.00 N ATOM 1027 CA LYS A 70 -11.258 7.021 -5.358 1.00 0.00 C ATOM 1028 C LYS A 70 -11.019 8.146 -6.367 1.00 0.00 C ATOM 1029 O LYS A 70 -9.979 8.803 -6.334 1.00 0.00 O ATOM 1030 CB LYS A 70 -11.251 7.489 -3.901 1.00 0.00 C ATOM 1031 CG LYS A 70 -11.617 6.343 -2.956 1.00 0.00 C ATOM 1032 CD LYS A 70 -13.034 6.517 -2.405 1.00 0.00 C ATOM 1033 CE LYS A 70 -13.002 6.977 -0.946 1.00 0.00 C ATOM 1034 NZ LYS A 70 -14.026 8.020 -0.709 1.00 0.00 N ATOM 0 H LYS A 70 -9.302 6.274 -5.441 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.262 6.637 -5.540 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.265 7.876 -3.644 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.958 8.309 -3.775 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.543 5.393 -3.485 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.905 6.305 -2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.576 7.246 -3.008 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.576 5.574 -2.481 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.180 6.128 -0.287 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.014 7.367 -0.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.991 8.321 0.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.839 8.837 -1.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.969 7.636 -0.921 1.00 0.00 H new ATOM 1047 N LYS A 71 -11.998 8.334 -7.239 1.00 0.00 N ATOM 1048 CA LYS A 71 -11.907 9.369 -8.255 1.00 0.00 C ATOM 1049 C LYS A 71 -13.271 10.044 -8.413 1.00 0.00 C ATOM 1050 O LYS A 71 -14.302 9.449 -8.102 1.00 0.00 O ATOM 1051 CB LYS A 71 -11.351 8.792 -9.559 1.00 0.00 C ATOM 1052 CG LYS A 71 -11.384 9.835 -10.678 1.00 0.00 C ATOM 1053 CD LYS A 71 -10.389 9.482 -11.785 1.00 0.00 C ATOM 1054 CE LYS A 71 -9.224 10.474 -11.811 1.00 0.00 C ATOM 1055 NZ LYS A 71 -7.935 9.755 -11.921 1.00 0.00 N ATOM 0 H LYS A 71 -12.859 7.787 -7.263 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.202 10.142 -7.949 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.327 8.453 -9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.935 7.920 -9.853 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.390 9.896 -11.094 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.147 10.818 -10.271 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.009 8.473 -11.629 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.896 9.486 -12.750 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.339 11.158 -12.652 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.234 11.079 -10.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.155 10.442 -11.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.821 9.121 -11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.923 9.196 -12.798 1.00 0.00 H new TER 1068 LYS A 71 HETATM 1069 CHA HEM A 130 8.384 5.003 0.330 1.00 0.00 C HETATM 1070 CHB HEM A 130 10.805 5.168 4.553 1.00 0.00 C HETATM 1071 CHC HEM A 130 7.859 1.749 6.384 1.00 0.00 C HETATM 1072 CHD HEM A 130 5.746 1.252 1.970 1.00 0.00 C HETATM 1073 C1A HEM A 130 9.291 5.341 1.329 1.00 0.00 C HETATM 1074 C2A HEM A 130 10.328 6.335 1.181 1.00 0.00 C HETATM 1075 C3A HEM A 130 11.002 6.383 2.350 1.00 0.00 C HETATM 1076 C4A HEM A 130 10.388 5.419 3.233 1.00 0.00 C HETATM 1077 CMA HEM A 130 12.170 7.254 2.708 1.00 0.00 C HETATM 1078 CAA HEM A 130 10.575 7.140 -0.062 1.00 0.00 C HETATM 1079 CBA HEM A 130 9.821 8.467 -0.101 1.00 0.00 C HETATM 1080 CGA HEM A 130 10.647 9.585 0.517 1.00 0.00 C HETATM 1081 O1A HEM A 130 11.349 10.268 -0.261 1.00 0.00 O HETATM 1082 O2A HEM A 130 10.562 9.737 1.755 1.00 0.00 O HETATM 1083 C1B HEM A 130 10.182 4.277 5.421 1.00 0.00 C HETATM 1084 C2B HEM A 130 10.533 4.121 6.813 1.00 0.00 C HETATM 1085 C3B HEM A 130 9.718 3.174 7.323 1.00 0.00 C HETATM 1086 C4B HEM A 130 8.855 2.734 6.253 1.00 0.00 C HETATM 1087 CMB HEM A 130 11.611 4.891 7.518 1.00 0.00 C HETATM 1088 CAB HEM A 130 9.680 2.647 8.728 1.00 0.00 C HETATM 1089 CBB HEM A 130 9.800 3.727 9.800 1.00 0.00 C HETATM 1090 C1C HEM A 130 7.113 1.183 5.263 1.00 0.00 C HETATM 1091 C2C HEM A 130 6.339 -0.036 5.279 1.00 0.00 C HETATM 1092 C3C HEM A 130 5.750 -0.148 4.070 1.00 0.00 C HETATM 1093 C4C HEM A 130 6.152 1.002 3.294 1.00 0.00 C HETATM 1094 CMC HEM A 130 6.240 -0.975 6.446 1.00 0.00 C HETATM 1095 CAC HEM A 130 4.843 -1.239 3.581 1.00 0.00 C HETATM 1096 CBC HEM A 130 3.553 -1.381 4.385 1.00 0.00 C HETATM 1097 C1D HEM A 130 6.284 2.242 1.154 1.00 0.00 C HETATM 1098 C2D HEM A 130 5.904 2.453 -0.223 1.00 0.00 C HETATM 1099 C3D HEM A 130 6.634 3.492 -0.681 1.00 0.00 C HETATM 1100 C4D HEM A 130 7.472 3.935 0.408 1.00 0.00 C HETATM 1101 CMD HEM A 130 4.883 1.643 -0.966 1.00 0.00 C HETATM 1102 CAD HEM A 130 6.611 4.105 -2.051 1.00 0.00 C HETATM 1103 CBD HEM A 130 7.048 3.155 -3.163 1.00 0.00 C HETATM 1104 CGD HEM A 130 5.870 2.345 -3.686 1.00 0.00 C HETATM 1105 O1D HEM A 130 6.067 1.129 -3.897 1.00 0.00 O HETATM 1106 O2D HEM A 130 4.795 2.958 -3.865 1.00 0.00 O HETATM 1107 NA HEM A 130 9.337 4.784 2.595 1.00 0.00 N HETATM 1108 NB HEM A 130 9.149 3.419 5.087 1.00 0.00 N HETATM 1109 NC HEM A 130 6.990 1.814 4.037 1.00 0.00 N HETATM 1110 ND HEM A 130 7.249 3.159 1.532 1.00 0.00 N HETATM 1111 FE HEM A 130 8.135 3.264 3.437 1.00 0.00 FE HETATM 0 HMA1 HEM A 130 12.753 7.467 1.812 1.00 0.00 H new HETATM 0 HMA2 HEM A 130 12.798 6.740 3.436 1.00 0.00 H new HETATM 0 HMA3 HEM A 130 11.809 8.189 3.137 1.00 0.00 H new HETATM 0 HMB1 HEM A 130 12.396 5.151 6.808 1.00 0.00 H new HETATM 0 HMB2 HEM A 130 12.032 4.280 8.316 1.00 0.00 H new HETATM 0 HMB3 HEM A 130 11.189 5.802 7.942 1.00 0.00 H new HETATM 0 HMC1 HEM A 130 5.269 -1.470 6.434 1.00 0.00 H new HETATM 0 HMC2 HEM A 130 6.350 -0.414 7.374 1.00 0.00 H new HETATM 0 HMC3 HEM A 130 7.029 -1.724 6.379 1.00 0.00 H new HETATM 0 HMD1 HEM A 130 4.405 2.266 -1.722 1.00 0.00 H new HETATM 0 HMD2 HEM A 130 4.130 1.278 -0.268 1.00 0.00 H new HETATM 0 HMD3 HEM A 130 5.371 0.797 -1.449 1.00 0.00 H new HETATM 0 HBB1 HEM A 130 9.784 3.452 10.855 1.00 0.00 H new HETATM 0 HBB2 HEM A 130 9.902 4.773 9.511 1.00 0.00 H new HETATM 0 HBC1 HEM A 130 2.823 -2.144 4.114 1.00 0.00 H new HETATM 0 HBC2 HEM A 130 3.362 -0.720 5.230 1.00 0.00 H new HETATM 0 HBA1 HEM A 130 8.877 8.369 0.436 1.00 0.00 H new HETATM 0 HBA2 HEM A 130 9.576 8.719 -1.133 1.00 0.00 H new HETATM 0 HAA1 HEM A 130 10.290 6.546 -0.930 1.00 0.00 H new HETATM 0 HAA2 HEM A 130 11.643 7.338 -0.148 1.00 0.00 H new HETATM 0 HBD1 HEM A 130 7.819 2.481 -2.788 1.00 0.00 H new HETATM 0 HBD2 HEM A 130 7.492 3.725 -3.979 1.00 0.00 H new HETATM 0 HAD1 HEM A 130 7.262 4.980 -2.058 1.00 0.00 H new HETATM 0 HAD2 HEM A 130 5.602 4.457 -2.264 1.00 0.00 H new HETATM 0 HHA HEM A 130 8.380 5.603 -0.568 1.00 0.00 H new HETATM 0 HHB HEM A 130 11.669 5.704 4.918 1.00 0.00 H new HETATM 0 HHC HEM A 130 7.632 1.389 7.376 1.00 0.00 H new HETATM 0 HHD HEM A 130 4.963 0.633 1.559 1.00 0.00 H new HETATM 0 HAB HEM A 130 9.576 1.587 8.962 1.00 0.00 H new HETATM 0 HAC HEM A 130 5.084 -1.873 2.728 1.00 0.00 H new HETATM 1112 CHA HEM A 154 -5.188 -0.091 6.464 1.00 0.00 C HETATM 1113 CHB HEM A 154 -3.874 1.183 1.950 1.00 0.00 C HETATM 1114 CHC HEM A 154 -0.198 -2.008 2.119 1.00 0.00 C HETATM 1115 CHD HEM A 154 -1.644 -3.430 6.555 1.00 0.00 C HETATM 1116 C1A HEM A 154 -5.139 0.529 5.219 1.00 0.00 C HETATM 1117 C2A HEM A 154 -6.062 1.551 4.785 1.00 0.00 C HETATM 1118 C3A HEM A 154 -5.700 1.906 3.534 1.00 0.00 C HETATM 1119 C4A HEM A 154 -4.550 1.107 3.181 1.00 0.00 C HETATM 1120 CMA HEM A 154 -6.341 2.930 2.642 1.00 0.00 C HETATM 1121 CAA HEM A 154 -7.198 2.088 5.606 1.00 0.00 C HETATM 1122 CBA HEM A 154 -6.808 2.466 7.032 1.00 0.00 C HETATM 1123 CGA HEM A 154 -7.164 3.915 7.331 1.00 0.00 C HETATM 1124 O1A HEM A 154 -6.475 4.796 6.771 1.00 0.00 O HETATM 1125 O2A HEM A 154 -8.117 4.116 8.114 1.00 0.00 O HETATM 1126 C1B HEM A 154 -2.756 0.426 1.617 1.00 0.00 C HETATM 1127 C2B HEM A 154 -2.050 0.529 0.361 1.00 0.00 C HETATM 1128 C3B HEM A 154 -1.030 -0.354 0.405 1.00 0.00 C HETATM 1129 C4B HEM A 154 -1.094 -1.013 1.688 1.00 0.00 C HETATM 1130 CMB HEM A 154 -2.418 1.461 -0.756 1.00 0.00 C HETATM 1131 CAB HEM A 154 -0.002 -0.632 -0.653 1.00 0.00 C HETATM 1132 CBB HEM A 154 0.777 0.602 -1.100 1.00 0.00 C HETATM 1133 C1C HEM A 154 -0.298 -2.692 3.336 1.00 0.00 C HETATM 1134 C2C HEM A 154 0.568 -3.777 3.736 1.00 0.00 C HETATM 1135 C3C HEM A 154 0.170 -4.170 4.964 1.00 0.00 C HETATM 1136 C4C HEM A 154 -0.946 -3.333 5.337 1.00 0.00 C HETATM 1137 CMC HEM A 154 1.689 -4.331 2.906 1.00 0.00 C HETATM 1138 CAC HEM A 154 0.747 -5.263 5.816 1.00 0.00 C HETATM 1139 CBC HEM A 154 2.218 -5.558 5.536 1.00 0.00 C HETATM 1140 C1D HEM A 154 -2.725 -2.631 6.911 1.00 0.00 C HETATM 1141 C2D HEM A 154 -3.413 -2.713 8.177 1.00 0.00 C HETATM 1142 C3D HEM A 154 -4.397 -1.789 8.155 1.00 0.00 C HETATM 1143 C4D HEM A 154 -4.326 -1.125 6.875 1.00 0.00 C HETATM 1144 CMD HEM A 154 -3.066 -3.666 9.283 1.00 0.00 C HETATM 1145 CAD HEM A 154 -5.395 -1.476 9.231 1.00 0.00 C HETATM 1146 CBD HEM A 154 -5.066 -0.223 10.038 1.00 0.00 C HETATM 1147 CGD HEM A 154 -4.111 -0.541 11.179 1.00 0.00 C HETATM 1148 O1D HEM A 154 -4.566 -1.215 12.128 1.00 0.00 O HETATM 1149 O2D HEM A 154 -2.944 -0.105 11.081 1.00 0.00 O HETATM 1150 NA HEM A 154 -4.213 0.263 4.225 1.00 0.00 N HETATM 1151 NB HEM A 154 -2.159 -0.526 2.426 1.00 0.00 N HETATM 1152 NC HEM A 154 -1.225 -2.427 4.329 1.00 0.00 N HETATM 1153 ND HEM A 154 -3.295 -1.650 6.117 1.00 0.00 N HETATM 1154 FE HEM A 154 -2.658 -1.156 4.374 1.00 0.00 FE HETATM 0 HMA1 HEM A 154 -7.406 2.994 2.867 1.00 0.00 H new HETATM 0 HMA2 HEM A 154 -6.208 2.639 1.600 1.00 0.00 H new HETATM 0 HMA3 HEM A 154 -5.876 3.901 2.810 1.00 0.00 H new HETATM 0 HMB1 HEM A 154 -1.520 1.741 -1.307 1.00 0.00 H new HETATM 0 HMB2 HEM A 154 -2.884 2.356 -0.344 1.00 0.00 H new HETATM 0 HMB3 HEM A 154 -3.117 0.964 -1.429 1.00 0.00 H new HETATM 0 HMC1 HEM A 154 2.472 -4.714 3.561 1.00 0.00 H new HETATM 0 HMC2 HEM A 154 2.098 -3.543 2.274 1.00 0.00 H new HETATM 0 HMC3 HEM A 154 1.313 -5.139 2.279 1.00 0.00 H new HETATM 0 HMD1 HEM A 154 -3.320 -3.217 10.243 1.00 0.00 H new HETATM 0 HMD2 HEM A 154 -1.998 -3.883 9.255 1.00 0.00 H new HETATM 0 HMD3 HEM A 154 -3.627 -4.592 9.155 1.00 0.00 H new HETATM 0 HBB1 HEM A 154 1.548 0.512 -1.865 1.00 0.00 H new HETATM 0 HBB2 HEM A 154 0.562 1.573 -0.654 1.00 0.00 H new HETATM 0 HBC1 HEM A 154 2.735 -6.334 6.100 1.00 0.00 H new HETATM 0 HBC2 HEM A 154 2.752 -4.992 4.772 1.00 0.00 H new HETATM 0 HBA1 HEM A 154 -5.738 2.315 7.172 1.00 0.00 H new HETATM 0 HBA2 HEM A 154 -7.317 1.810 7.738 1.00 0.00 H new HETATM 0 HAA1 HEM A 154 -7.991 1.341 5.643 1.00 0.00 H new HETATM 0 HAA2 HEM A 154 -7.610 2.966 5.108 1.00 0.00 H new HETATM 0 HBD1 HEM A 154 -5.984 0.207 10.438 1.00 0.00 H new HETATM 0 HBD2 HEM A 154 -4.620 0.527 9.385 1.00 0.00 H new HETATM 0 HAD1 HEM A 154 -5.460 -2.326 9.910 1.00 0.00 H new HETATM 0 HAD2 HEM A 154 -6.378 -1.355 8.776 1.00 0.00 H new HETATM 0 HHA HEM A 154 -5.940 0.245 7.163 1.00 0.00 H new HETATM 0 HHB HEM A 154 -4.249 1.877 1.212 1.00 0.00 H new HETATM 0 HHC HEM A 154 0.624 -2.262 1.466 1.00 0.00 H new HETATM 0 HHD HEM A 154 -1.317 -4.177 7.263 1.00 0.00 H new HETATM 0 HAB HEM A 154 0.172 -1.626 -1.065 1.00 0.00 H new HETATM 0 HAC HEM A 154 0.167 -5.798 6.568 1.00 0.00 H new HETATM 1155 CHA HEM A 168 -4.027 -0.495 -9.908 1.00 0.00 C HETATM 1156 CHB HEM A 168 -8.444 -2.493 -10.381 1.00 0.00 C HETATM 1157 CHC HEM A 168 -8.865 -2.834 -5.541 1.00 0.00 C HETATM 1158 CHD HEM A 168 -4.550 -0.451 -5.066 1.00 0.00 C HETATM 1159 C1A HEM A 168 -5.192 -1.032 -10.448 1.00 0.00 C HETATM 1160 C2A HEM A 168 -5.439 -1.178 -11.863 1.00 0.00 C HETATM 1161 C3A HEM A 168 -6.662 -1.731 -11.997 1.00 0.00 C HETATM 1162 C4A HEM A 168 -7.185 -1.934 -10.667 1.00 0.00 C HETATM 1163 CMA HEM A 168 -7.382 -2.086 -13.266 1.00 0.00 C HETATM 1164 CAA HEM A 168 -4.482 -0.774 -12.947 1.00 0.00 C HETATM 1165 CBA HEM A 168 -4.196 0.724 -12.997 1.00 0.00 C HETATM 1166 CGA HEM A 168 -2.752 0.992 -13.397 1.00 0.00 C HETATM 1167 O1A HEM A 168 -1.865 0.631 -12.594 1.00 0.00 O HETATM 1168 O2A HEM A 168 -2.563 1.554 -14.497 1.00 0.00 O HETATM 1169 C1B HEM A 168 -8.884 -2.835 -9.107 1.00 0.00 C HETATM 1170 C2B HEM A 168 -10.011 -3.699 -8.842 1.00 0.00 C HETATM 1171 C3B HEM A 168 -10.130 -3.796 -7.501 1.00 0.00 C HETATM 1172 C4B HEM A 168 -9.079 -2.992 -6.922 1.00 0.00 C HETATM 1173 CMB HEM A 168 -10.862 -4.347 -9.894 1.00 0.00 C HETATM 1174 CAB HEM A 168 -11.144 -4.576 -6.717 1.00 0.00 C HETATM 1175 CBB HEM A 168 -11.213 -6.055 -7.090 1.00 0.00 C HETATM 1176 C1C HEM A 168 -7.623 -2.258 -4.964 1.00 0.00 C HETATM 1177 C2C HEM A 168 -7.473 -1.923 -3.567 1.00 0.00 C HETATM 1178 C3C HEM A 168 -6.327 -1.221 -3.448 1.00 0.00 C HETATM 1179 C4C HEM A 168 -5.755 -1.114 -4.769 1.00 0.00 C HETATM 1180 CMC HEM A 168 -8.440 -2.306 -2.484 1.00 0.00 C HETATM 1181 CAC HEM A 168 -5.723 -0.642 -2.201 1.00 0.00 C HETATM 1182 CBC HEM A 168 -5.694 -1.608 -1.020 1.00 0.00 C HETATM 1183 C1D HEM A 168 -4.055 -0.252 -6.351 1.00 0.00 C HETATM 1184 C2D HEM A 168 -2.831 0.454 -6.648 1.00 0.00 C HETATM 1185 C3D HEM A 168 -2.683 0.444 -7.990 1.00 0.00 C HETATM 1186 C4D HEM A 168 -3.815 -0.268 -8.536 1.00 0.00 C HETATM 1187 CMD HEM A 168 -1.923 1.068 -5.623 1.00 0.00 C HETATM 1188 CAD HEM A 168 -1.573 1.044 -8.802 1.00 0.00 C HETATM 1189 CBD HEM A 168 -1.816 2.494 -9.209 1.00 0.00 C HETATM 1190 CGD HEM A 168 -2.703 3.206 -8.198 1.00 0.00 C HETATM 1191 O1D HEM A 168 -3.897 2.843 -8.136 1.00 0.00 O HETATM 1192 O2D HEM A 168 -2.170 4.100 -7.505 1.00 0.00 O HETATM 1193 NA HEM A 168 -6.273 -1.500 -9.721 1.00 0.00 N HETATM 1194 NB HEM A 168 -8.318 -2.406 -7.919 1.00 0.00 N HETATM 1195 NC HEM A 168 -6.560 -1.756 -5.694 1.00 0.00 N HETATM 1196 ND HEM A 168 -4.652 -0.692 -7.519 1.00 0.00 N HETATM 1197 FE HEM A 168 -6.502 -1.673 -7.597 1.00 0.00 FE HETATM 0 HMA1 HEM A 168 -8.036 -2.939 -13.087 1.00 0.00 H new HETATM 0 HMA2 HEM A 168 -6.655 -2.341 -14.037 1.00 0.00 H new HETATM 0 HMA3 HEM A 168 -7.978 -1.235 -13.596 1.00 0.00 H new HETATM 0 HMB1 HEM A 168 -10.886 -3.716 -10.782 1.00 0.00 H new HETATM 0 HMB2 HEM A 168 -11.875 -4.477 -9.513 1.00 0.00 H new HETATM 0 HMB3 HEM A 168 -10.444 -5.320 -10.152 1.00 0.00 H new HETATM 0 HMC1 HEM A 168 -7.903 -2.426 -1.543 1.00 0.00 H new HETATM 0 HMC2 HEM A 168 -8.927 -3.245 -2.746 1.00 0.00 H new HETATM 0 HMC3 HEM A 168 -9.193 -1.525 -2.375 1.00 0.00 H new HETATM 0 HMD1 HEM A 168 -0.897 1.053 -5.990 1.00 0.00 H new HETATM 0 HMD2 HEM A 168 -1.985 0.500 -4.695 1.00 0.00 H new HETATM 0 HMD3 HEM A 168 -2.227 2.098 -5.438 1.00 0.00 H new HETATM 0 HBB1 HEM A 168 -11.917 -6.713 -6.581 1.00 0.00 H new HETATM 0 HBB2 HEM A 168 -10.558 -6.453 -7.866 1.00 0.00 H new HETATM 0 HBC1 HEM A 168 -5.276 -1.289 -0.065 1.00 0.00 H new HETATM 0 HBC2 HEM A 168 -6.091 -2.617 -1.131 1.00 0.00 H new HETATM 0 HBA1 HEM A 168 -4.395 1.168 -12.022 1.00 0.00 H new HETATM 0 HBA2 HEM A 168 -4.869 1.202 -13.709 1.00 0.00 H new HETATM 0 HAA1 HEM A 168 -4.886 -1.089 -13.909 1.00 0.00 H new HETATM 0 HAA2 HEM A 168 -3.542 -1.308 -12.805 1.00 0.00 H new HETATM 0 HBD1 HEM A 168 -2.284 2.525 -10.193 1.00 0.00 H new HETATM 0 HBD2 HEM A 168 -0.863 3.016 -9.292 1.00 0.00 H new HETATM 0 HAD1 HEM A 168 -1.429 0.444 -9.701 1.00 0.00 H new HETATM 0 HAD2 HEM A 168 -0.647 0.988 -8.230 1.00 0.00 H new HETATM 0 HHA HEM A 168 -3.231 -0.235 -10.589 1.00 0.00 H new HETATM 0 HHB HEM A 168 -9.115 -2.669 -11.208 1.00 0.00 H new HETATM 0 HHC HEM A 168 -9.645 -3.148 -4.864 1.00 0.00 H new HETATM 0 HHD HEM A 168 -3.969 -0.070 -4.239 1.00 0.00 H new HETATM 0 HAB HEM A 168 -11.775 -4.127 -5.950 1.00 0.00 H new HETATM 0 HAC HEM A 168 -5.340 0.377 -2.144 1.00 0.00 H new