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= -0.915 (180deg=-1.44!) 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= -0.0301 X(o=-0.03,f=-0.14) 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= -3.52! C(o=-3.5!,f=-5.3!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.18) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 HEM CMA :methyl -30:sc= -0.15 (180deg=-0.31) USER MOD Single : A 130 HEM CMB :methyl -30:sc= -1.38 (180deg=-4.37!) USER MOD Single : A 130 HEM CMC :methyl 150:sc= -0.307 (180deg=-0.307) USER MOD Single : A 130 HEM CMD :methyl 150:sc= -2.71 (180deg=-2.71) USER MOD Single : A 154 HEM CMA :methyl 150:sc= -0.193 (180deg=-0.193) USER MOD Single : A 154 HEM CMB :methyl 150:sc= -1.36 (180deg=-1.36) USER MOD Single : A 154 HEM CMC :methyl -30:sc= -8.23! (180deg=-8.26!) USER MOD Single : A 154 HEM CMD :methyl -30:sc= -2.18! (180deg=-2.28!) USER MOD Single : A 168 HEM CMB :methyl -30:sc= -0.18 (180deg=-1.15) USER MOD Single : A 168 HEM CMC :methyl 150:sc= -7.5! (180deg=-7.5!) USER MOD Single : A 168 HEM CMD :methyl 150:sc= -0.132 (180deg=-0.132) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.218 13.677 5.804 1.00 0.00 N ATOM 2 CA ALA A 1 4.122 13.622 4.851 1.00 0.00 C ATOM 3 C ALA A 1 3.326 12.334 5.072 1.00 0.00 C ATOM 4 O ALA A 1 2.180 12.377 5.517 1.00 0.00 O ATOM 5 CB ALA A 1 4.676 13.729 3.429 1.00 0.00 C ATOM 0 H1 ALA A 1 5.762 14.551 5.657 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.837 13.664 6.772 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.840 12.855 5.666 1.00 0.00 H new ATOM 0 HA ALA A 1 3.441 14.460 4.999 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.854 13.688 2.714 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.208 14.674 3.316 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.361 12.902 3.242 1.00 0.00 H new ATOM 11 N ASP A 2 3.964 11.219 4.749 1.00 0.00 N ATOM 12 CA ASP A 2 3.329 9.921 4.906 1.00 0.00 C ATOM 13 C ASP A 2 2.312 9.717 3.782 1.00 0.00 C ATOM 14 O ASP A 2 2.332 8.694 3.100 1.00 0.00 O ATOM 15 CB ASP A 2 2.586 9.830 6.240 1.00 0.00 C ATOM 16 CG ASP A 2 3.083 10.786 7.325 1.00 0.00 C ATOM 17 OD1 ASP A 2 4.262 10.759 7.709 1.00 0.00 O ATOM 18 OD2 ASP A 2 2.193 11.597 7.788 1.00 0.00 O ATOM 0 H ASP A 2 4.914 11.187 4.379 1.00 0.00 H new ATOM 0 HA ASP A 2 4.107 9.158 4.874 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.528 10.024 6.063 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.665 8.809 6.613 1.00 0.00 H new ATOM 24 N ASP A 3 1.445 10.707 3.624 1.00 0.00 N ATOM 25 CA ASP A 3 0.421 10.648 2.595 1.00 0.00 C ATOM 26 C ASP A 3 1.090 10.605 1.219 1.00 0.00 C ATOM 27 O ASP A 3 1.814 11.527 0.848 1.00 0.00 O ATOM 28 CB ASP A 3 -0.480 11.883 2.644 1.00 0.00 C ATOM 29 CG ASP A 3 -0.564 12.568 4.010 1.00 0.00 C ATOM 30 OD1 ASP A 3 -0.148 13.725 4.170 1.00 0.00 O ATOM 31 OD2 ASP A 3 -1.092 11.855 4.946 1.00 0.00 O ATOM 0 H ASP A 3 1.431 11.554 4.192 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.181 9.756 2.768 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -0.119 12.607 1.913 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.485 11.594 2.337 1.00 0.00 H new ATOM 37 N ILE A 4 0.823 9.524 0.501 1.00 0.00 N ATOM 38 CA ILE A 4 1.389 9.349 -0.826 1.00 0.00 C ATOM 39 C ILE A 4 0.275 8.974 -1.806 1.00 0.00 C ATOM 40 O ILE A 4 -0.497 8.052 -1.550 1.00 0.00 O ATOM 41 CB ILE A 4 2.540 8.341 -0.788 1.00 0.00 C ATOM 42 CG1 ILE A 4 3.671 8.834 0.117 1.00 0.00 C ATOM 43 CG2 ILE A 4 3.034 8.021 -2.200 1.00 0.00 C ATOM 44 CD1 ILE A 4 4.861 7.873 0.080 1.00 0.00 C ATOM 0 H ILE A 4 0.222 8.761 0.813 1.00 0.00 H new ATOM 0 HA ILE A 4 1.825 10.283 -1.181 1.00 0.00 H new ATOM 0 HB ILE A 4 2.166 7.411 -0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.990 9.826 -0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.308 8.929 1.140 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.852 7.303 -2.145 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.217 7.597 -2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.386 8.935 -2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.651 8.247 0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.544 6.888 0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.237 7.799 -0.940 1.00 0.00 H new ATOM 56 N VAL A 5 0.228 9.709 -2.907 1.00 0.00 N ATOM 57 CA VAL A 5 -0.778 9.466 -3.927 1.00 0.00 C ATOM 58 C VAL A 5 -0.188 8.566 -5.015 1.00 0.00 C ATOM 59 O VAL A 5 0.815 8.914 -5.637 1.00 0.00 O ATOM 60 CB VAL A 5 -1.304 10.795 -4.471 1.00 0.00 C ATOM 61 CG1 VAL A 5 -2.274 10.567 -5.632 1.00 0.00 C ATOM 62 CG2 VAL A 5 -1.961 11.620 -3.362 1.00 0.00 C ATOM 0 H VAL A 5 0.870 10.473 -3.115 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.634 8.943 -3.501 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.454 11.361 -4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.633 11.528 -6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.761 10.039 -6.436 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.120 9.971 -5.288 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.326 12.560 -3.776 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.796 11.061 -2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.230 11.827 -2.581 1.00 0.00 H new ATOM 72 N LEU A 6 -0.836 7.427 -5.212 1.00 0.00 N ATOM 73 CA LEU A 6 -0.388 6.475 -6.214 1.00 0.00 C ATOM 74 C LEU A 6 -1.235 6.635 -7.478 1.00 0.00 C ATOM 75 O LEU A 6 -2.329 6.079 -7.570 1.00 0.00 O ATOM 76 CB LEU A 6 -0.394 5.055 -5.645 1.00 0.00 C ATOM 77 CG LEU A 6 0.519 4.811 -4.442 1.00 0.00 C ATOM 78 CD1 LEU A 6 0.167 3.495 -3.745 1.00 0.00 C ATOM 79 CD2 LEU A 6 1.992 4.867 -4.851 1.00 0.00 C ATOM 0 H LEU A 6 -1.668 7.142 -4.695 1.00 0.00 H new ATOM 0 HA LEU A 6 0.646 6.676 -6.495 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.415 4.804 -5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.108 4.365 -6.439 1.00 0.00 H new ATOM 0 HG LEU A 6 0.355 5.612 -3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.831 3.345 -2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.866 3.532 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.285 2.669 -4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.619 4.690 -3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.191 4.101 -5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.217 5.849 -5.267 1.00 0.00 H new ATOM 91 N LYS A 7 -0.698 7.397 -8.420 1.00 0.00 N ATOM 92 CA LYS A 7 -1.392 7.637 -9.674 1.00 0.00 C ATOM 93 C LYS A 7 -1.890 6.305 -10.239 1.00 0.00 C ATOM 94 O LYS A 7 -1.164 5.312 -10.229 1.00 0.00 O ATOM 95 CB LYS A 7 -0.499 8.419 -10.639 1.00 0.00 C ATOM 96 CG LYS A 7 0.729 7.597 -11.037 1.00 0.00 C ATOM 97 CD LYS A 7 1.981 8.095 -10.311 1.00 0.00 C ATOM 98 CE LYS A 7 2.515 7.034 -9.347 1.00 0.00 C ATOM 99 NZ LYS A 7 3.967 6.835 -9.548 1.00 0.00 N ATOM 0 H LYS A 7 0.209 7.856 -8.340 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.270 8.262 -9.510 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.067 8.686 -11.530 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.181 9.351 -10.172 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.560 6.547 -10.800 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.880 7.660 -12.115 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.751 8.350 -11.039 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.748 9.007 -9.761 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.323 7.339 -8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.988 6.093 -9.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.313 6.112 -8.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.143 6.523 -10.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.467 7.730 -9.375 1.00 0.00 H new ATOM 112 N ALA A 8 -3.126 6.327 -10.717 1.00 0.00 N ATOM 113 CA ALA A 8 -3.729 5.134 -11.285 1.00 0.00 C ATOM 114 C ALA A 8 -4.715 5.539 -12.383 1.00 0.00 C ATOM 115 O ALA A 8 -5.442 6.521 -12.238 1.00 0.00 O ATOM 116 CB ALA A 8 -4.396 4.320 -10.174 1.00 0.00 C ATOM 0 H ALA A 8 -3.726 7.152 -10.722 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.969 4.500 -11.742 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.849 3.425 -10.600 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.648 4.032 -9.435 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.167 4.923 -9.694 1.00 0.00 H new ATOM 122 N LYS A 9 -4.708 4.763 -13.457 1.00 0.00 N ATOM 123 CA LYS A 9 -5.593 5.029 -14.578 1.00 0.00 C ATOM 124 C LYS A 9 -6.997 4.518 -14.247 1.00 0.00 C ATOM 125 O LYS A 9 -7.898 4.583 -15.082 1.00 0.00 O ATOM 126 CB LYS A 9 -5.014 4.444 -15.868 1.00 0.00 C ATOM 127 CG LYS A 9 -5.239 2.932 -15.933 1.00 0.00 C ATOM 128 CD LYS A 9 -6.174 2.566 -17.088 1.00 0.00 C ATOM 129 CE LYS A 9 -7.355 1.729 -16.593 1.00 0.00 C ATOM 130 NZ LYS A 9 -7.177 0.309 -16.971 1.00 0.00 N ATOM 0 H LYS A 9 -4.103 3.950 -13.574 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.677 6.102 -14.751 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.480 4.922 -16.730 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.947 4.659 -15.922 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.283 2.424 -16.059 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.664 2.583 -14.992 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.542 3.475 -17.565 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.622 2.010 -17.846 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.441 1.815 -15.510 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.283 2.111 -17.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.987 -0.246 -16.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.117 0.230 -18.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.302 -0.057 -16.545 1.00 0.00 H new ATOM 143 N ASN A 10 -7.139 4.022 -13.027 1.00 0.00 N ATOM 144 CA ASN A 10 -8.417 3.500 -12.576 1.00 0.00 C ATOM 145 C ASN A 10 -8.765 4.118 -11.220 1.00 0.00 C ATOM 146 O ASN A 10 -9.460 3.502 -10.413 1.00 0.00 O ATOM 147 CB ASN A 10 -8.363 1.981 -12.403 1.00 0.00 C ATOM 148 CG ASN A 10 -9.642 1.323 -12.925 1.00 0.00 C ATOM 149 OD1 ASN A 10 -10.064 1.533 -14.050 1.00 0.00 O ATOM 150 ND2 ASN A 10 -10.233 0.518 -12.047 1.00 0.00 N ATOM 0 H ASN A 10 -6.390 3.971 -12.337 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.167 3.750 -13.327 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.501 1.581 -12.936 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.228 1.736 -11.350 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.093 0.032 -12.300 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.826 0.387 -11.121 1.00 0.00 H new ATOM 157 N GLY A 11 -8.266 5.327 -11.011 1.00 0.00 N ATOM 158 CA GLY A 11 -8.515 6.035 -9.767 1.00 0.00 C ATOM 159 C GLY A 11 -7.289 5.987 -8.853 1.00 0.00 C ATOM 160 O GLY A 11 -6.863 4.911 -8.436 1.00 0.00 O ATOM 0 H GLY A 11 -7.690 5.835 -11.683 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.773 7.072 -9.980 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.370 5.592 -9.257 1.00 0.00 H new ATOM 164 N ASP A 12 -6.755 7.166 -8.569 1.00 0.00 N ATOM 165 CA ASP A 12 -5.586 7.272 -7.713 1.00 0.00 C ATOM 166 C ASP A 12 -5.869 6.571 -6.383 1.00 0.00 C ATOM 167 O ASP A 12 -7.024 6.428 -5.985 1.00 0.00 O ATOM 168 CB ASP A 12 -5.253 8.735 -7.415 1.00 0.00 C ATOM 169 CG ASP A 12 -6.270 9.464 -6.535 1.00 0.00 C ATOM 170 OD1 ASP A 12 -6.666 8.967 -5.470 1.00 0.00 O ATOM 171 OD2 ASP A 12 -6.665 10.605 -6.989 1.00 0.00 O ATOM 0 H ASP A 12 -7.111 8.056 -8.917 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.746 6.809 -8.230 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.278 8.778 -6.929 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.163 9.271 -8.360 1.00 0.00 H new ATOM 177 N VAL A 13 -4.794 6.151 -5.732 1.00 0.00 N ATOM 178 CA VAL A 13 -4.911 5.468 -4.454 1.00 0.00 C ATOM 179 C VAL A 13 -4.187 6.280 -3.378 1.00 0.00 C ATOM 180 O VAL A 13 -2.995 6.556 -3.501 1.00 0.00 O ATOM 181 CB VAL A 13 -4.387 4.036 -4.576 1.00 0.00 C ATOM 182 CG1 VAL A 13 -4.535 3.284 -3.252 1.00 0.00 C ATOM 183 CG2 VAL A 13 -5.091 3.290 -5.712 1.00 0.00 C ATOM 0 H VAL A 13 -3.837 6.270 -6.066 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.957 5.393 -4.156 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.325 4.087 -4.816 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.155 2.269 -3.366 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.968 3.799 -2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.587 3.248 -2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.700 2.275 -5.778 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.162 3.255 -5.515 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.912 3.809 -6.654 1.00 0.00 H new ATOM 193 N LYS A 14 -4.939 6.640 -2.348 1.00 0.00 N ATOM 194 CA LYS A 14 -4.383 7.414 -1.251 1.00 0.00 C ATOM 195 C LYS A 14 -3.777 6.464 -0.217 1.00 0.00 C ATOM 196 O LYS A 14 -4.502 5.773 0.497 1.00 0.00 O ATOM 197 CB LYS A 14 -5.439 8.358 -0.674 1.00 0.00 C ATOM 198 CG LYS A 14 -4.789 9.461 0.165 1.00 0.00 C ATOM 199 CD LYS A 14 -4.242 8.899 1.479 1.00 0.00 C ATOM 200 CE LYS A 14 -3.885 10.026 2.451 1.00 0.00 C ATOM 201 NZ LYS A 14 -4.754 9.973 3.647 1.00 0.00 N ATOM 0 H LYS A 14 -5.928 6.410 -2.250 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.576 8.054 -1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.015 8.804 -1.485 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.140 7.793 -0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.981 9.925 -0.401 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.520 10.242 0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.983 8.242 1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.359 8.292 1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.840 9.940 2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.996 10.990 1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.499 10.744 4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.748 10.078 3.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.627 9.060 4.128 1.00 0.00 H new ATOM 214 N PHE A 15 -2.453 6.459 -0.169 1.00 0.00 N ATOM 215 CA PHE A 15 -1.741 5.604 0.765 1.00 0.00 C ATOM 216 C PHE A 15 -1.084 6.431 1.873 1.00 0.00 C ATOM 217 O PHE A 15 -0.278 7.326 1.629 1.00 0.00 O ATOM 218 CB PHE A 15 -0.651 4.882 -0.030 1.00 0.00 C ATOM 219 CG PHE A 15 0.250 3.986 0.822 1.00 0.00 C ATOM 220 CD1 PHE A 15 -0.300 3.042 1.632 1.00 0.00 C ATOM 221 CD2 PHE A 15 1.601 4.133 0.770 1.00 0.00 C ATOM 222 CE1 PHE A 15 0.537 2.210 2.423 1.00 0.00 C ATOM 223 CE2 PHE A 15 2.438 3.301 1.560 1.00 0.00 C ATOM 224 CZ PHE A 15 1.888 2.357 2.370 1.00 0.00 C ATOM 0 H PHE A 15 -1.855 7.034 -0.762 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.434 4.905 1.232 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.121 4.276 -0.804 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.034 5.624 -0.537 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.373 2.925 1.674 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.038 4.883 0.127 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.100 1.461 3.067 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.511 3.418 1.518 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.524 1.724 2.971 1.00 0.00 H new ATOM 234 N PRO A 16 -1.454 6.106 3.114 1.00 0.00 N ATOM 235 CA PRO A 16 -0.959 6.754 4.309 1.00 0.00 C ATOM 236 C PRO A 16 0.333 6.084 4.756 1.00 0.00 C ATOM 237 O PRO A 16 0.267 5.055 5.426 1.00 0.00 O ATOM 238 CB PRO A 16 -2.063 6.560 5.346 1.00 0.00 C ATOM 239 CG PRO A 16 -2.632 5.188 4.940 1.00 0.00 C ATOM 240 CD PRO A 16 -2.400 5.059 3.437 1.00 0.00 C ATOM 0 HA PRO A 16 -0.734 7.810 4.156 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.673 6.557 6.364 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.816 7.347 5.295 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.133 4.384 5.481 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.694 5.121 5.177 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.004 4.076 3.181 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.330 5.182 2.882 1.00 0.00 H new ATOM 248 N HIS A 17 1.463 6.666 4.383 1.00 0.00 N ATOM 249 CA HIS A 17 2.751 6.106 4.756 1.00 0.00 C ATOM 250 C HIS A 17 3.097 6.522 6.187 1.00 0.00 C ATOM 251 O HIS A 17 4.207 6.980 6.453 1.00 0.00 O ATOM 252 CB HIS A 17 3.829 6.505 3.746 1.00 0.00 C ATOM 253 CG HIS A 17 5.169 5.852 3.989 1.00 0.00 C ATOM 254 ND1 HIS A 17 6.042 6.277 4.976 1.00 0.00 N ATOM 255 CD2 HIS A 17 5.776 4.803 3.364 1.00 0.00 C ATOM 256 CE1 HIS A 17 7.122 5.511 4.937 1.00 0.00 C ATOM 257 NE2 HIS A 17 6.956 4.598 3.937 1.00 0.00 N ATOM 0 H HIS A 17 1.514 7.519 3.827 1.00 0.00 H new ATOM 0 HA HIS A 17 2.698 5.017 4.734 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.487 6.247 2.744 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.954 7.588 3.772 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.881 7.049 5.623 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.366 4.235 2.542 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.983 5.595 5.584 1.00 0.00 H new ATOM 265 N LYS A 18 2.125 6.346 7.071 1.00 0.00 N ATOM 266 CA LYS A 18 2.313 6.697 8.468 1.00 0.00 C ATOM 267 C LYS A 18 1.700 5.607 9.350 1.00 0.00 C ATOM 268 O LYS A 18 2.419 4.882 10.036 1.00 0.00 O ATOM 269 CB LYS A 18 1.761 8.096 8.748 1.00 0.00 C ATOM 270 CG LYS A 18 1.227 8.199 10.178 1.00 0.00 C ATOM 271 CD LYS A 18 0.919 9.652 10.545 1.00 0.00 C ATOM 272 CE LYS A 18 -0.032 9.726 11.741 1.00 0.00 C ATOM 273 NZ LYS A 18 0.021 11.068 12.364 1.00 0.00 N ATOM 0 H LYS A 18 1.206 5.965 6.847 1.00 0.00 H new ATOM 0 HA LYS A 18 3.375 6.744 8.709 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.545 8.838 8.595 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.964 8.324 8.041 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.324 7.596 10.277 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.960 7.792 10.874 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.846 10.176 10.780 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.474 10.160 9.690 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.050 9.509 11.418 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.238 8.967 12.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.630 11.101 13.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.989 11.261 12.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.259 11.786 11.666 1.00 0.00 H new ATOM 286 N ALA A 19 0.379 5.525 9.303 1.00 0.00 N ATOM 287 CA ALA A 19 -0.338 4.535 10.089 1.00 0.00 C ATOM 288 C ALA A 19 0.223 3.145 9.785 1.00 0.00 C ATOM 289 O ALA A 19 0.098 2.230 10.598 1.00 0.00 O ATOM 290 CB ALA A 19 -1.836 4.636 9.793 1.00 0.00 C ATOM 0 H ALA A 19 -0.214 6.128 8.733 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.202 4.720 11.155 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.374 3.894 10.382 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.192 5.633 10.053 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.010 4.453 8.733 1.00 0.00 H new ATOM 296 N HIS A 20 0.830 3.030 8.613 1.00 0.00 N ATOM 297 CA HIS A 20 1.411 1.766 8.192 1.00 0.00 C ATOM 298 C HIS A 20 2.757 1.563 8.890 1.00 0.00 C ATOM 299 O HIS A 20 3.432 0.559 8.665 1.00 0.00 O ATOM 300 CB HIS A 20 1.517 1.698 6.668 1.00 0.00 C ATOM 301 CG HIS A 20 0.215 1.373 5.975 1.00 0.00 C ATOM 302 ND1 HIS A 20 -0.684 2.346 5.573 1.00 0.00 N ATOM 303 CD2 HIS A 20 -0.329 0.174 5.618 1.00 0.00 C ATOM 304 CE1 HIS A 20 -1.719 1.748 5.002 1.00 0.00 C ATOM 305 NE2 HIS A 20 -1.498 0.403 5.030 1.00 0.00 N ATOM 0 H HIS A 20 0.932 3.791 7.942 1.00 0.00 H new ATOM 0 HA HIS A 20 0.759 0.945 8.489 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.885 2.654 6.297 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.258 0.945 6.399 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -0.569 3.352 5.696 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.115 -0.796 5.785 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.586 2.240 4.587 1.00 0.00 H new ATOM 313 N GLN A 21 3.109 2.532 9.722 1.00 0.00 N ATOM 314 CA GLN A 21 4.362 2.472 10.454 1.00 0.00 C ATOM 315 C GLN A 21 4.135 1.889 11.850 1.00 0.00 C ATOM 316 O GLN A 21 4.794 0.927 12.240 1.00 0.00 O ATOM 317 CB GLN A 21 5.015 3.853 10.537 1.00 0.00 C ATOM 318 CG GLN A 21 5.420 4.352 9.149 1.00 0.00 C ATOM 319 CD GLN A 21 5.572 5.875 9.136 1.00 0.00 C ATOM 320 OE1 GLN A 21 5.109 6.578 10.018 1.00 0.00 O ATOM 321 NE2 GLN A 21 6.244 6.343 8.088 1.00 0.00 N ATOM 0 H GLN A 21 2.548 3.364 9.905 1.00 0.00 H new ATOM 0 HA GLN A 21 5.044 1.815 9.914 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.322 4.560 10.994 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.893 3.806 11.181 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.360 3.887 8.851 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.670 4.052 8.418 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.605 5.699 7.385 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.398 7.346 7.988 1.00 0.00 H new ATOM 330 N LYS A 22 3.199 2.496 12.565 1.00 0.00 N ATOM 331 CA LYS A 22 2.876 2.049 13.910 1.00 0.00 C ATOM 332 C LYS A 22 2.238 0.660 13.841 1.00 0.00 C ATOM 333 O LYS A 22 2.322 -0.113 14.794 1.00 0.00 O ATOM 334 CB LYS A 22 2.012 3.088 14.627 1.00 0.00 C ATOM 335 CG LYS A 22 2.837 4.319 15.008 1.00 0.00 C ATOM 336 CD LYS A 22 3.257 4.263 16.479 1.00 0.00 C ATOM 337 CE LYS A 22 2.870 5.551 17.208 1.00 0.00 C ATOM 338 NZ LYS A 22 2.938 5.357 18.674 1.00 0.00 N ATOM 0 H LYS A 22 2.654 3.294 12.238 1.00 0.00 H new ATOM 0 HA LYS A 22 3.782 1.955 14.508 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.185 3.385 13.982 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.575 2.647 15.523 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.722 4.378 14.375 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.255 5.222 14.826 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.783 3.410 16.964 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.334 4.111 16.548 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.538 6.359 16.911 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.862 5.849 16.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.672 6.241 19.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.282 4.600 18.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.907 5.094 18.945 1.00 0.00 H new ATOM 351 N ALA A 23 1.614 0.386 12.705 1.00 0.00 N ATOM 352 CA ALA A 23 0.962 -0.896 12.499 1.00 0.00 C ATOM 353 C ALA A 23 2.004 -1.930 12.069 1.00 0.00 C ATOM 354 O ALA A 23 1.853 -3.120 12.342 1.00 0.00 O ATOM 355 CB ALA A 23 -0.162 -0.739 11.473 1.00 0.00 C ATOM 0 H ALA A 23 1.546 1.030 11.917 1.00 0.00 H new ATOM 0 HA ALA A 23 0.510 -1.250 13.426 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.651 -1.701 11.319 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.891 -0.016 11.840 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.254 -0.388 10.529 1.00 0.00 H new ATOM 361 N VAL A 24 3.038 -1.439 11.402 1.00 0.00 N ATOM 362 CA VAL A 24 4.105 -2.306 10.931 1.00 0.00 C ATOM 363 C VAL A 24 5.453 -1.621 11.165 1.00 0.00 C ATOM 364 O VAL A 24 6.205 -1.326 10.238 1.00 0.00 O ATOM 365 CB VAL A 24 3.869 -2.677 9.465 1.00 0.00 C ATOM 366 CG1 VAL A 24 4.955 -3.628 8.959 1.00 0.00 C ATOM 367 CG2 VAL A 24 2.477 -3.280 9.270 1.00 0.00 C ATOM 0 H VAL A 24 3.160 -0.452 11.176 1.00 0.00 H new ATOM 0 HA VAL A 24 4.114 -3.241 11.492 1.00 0.00 H new ATOM 0 HB VAL A 24 3.923 -1.762 8.874 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.764 -3.876 7.915 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.929 -3.147 9.045 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.947 -4.540 9.556 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.335 -3.535 8.220 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.382 -4.180 9.878 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.721 -2.556 9.573 1.00 0.00 H new ATOM 377 N PRO A 25 5.746 -1.373 12.444 1.00 0.00 N ATOM 378 CA PRO A 25 6.965 -0.737 12.893 1.00 0.00 C ATOM 379 C PRO A 25 8.140 -1.244 12.069 1.00 0.00 C ATOM 380 O PRO A 25 9.116 -0.512 11.912 1.00 0.00 O ATOM 381 CB PRO A 25 7.105 -1.148 14.357 1.00 0.00 C ATOM 382 CG PRO A 25 5.649 -1.247 14.798 1.00 0.00 C ATOM 383 CD PRO A 25 4.885 -1.707 13.558 1.00 0.00 C ATOM 0 HA PRO A 25 6.943 0.347 12.782 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.630 -2.097 14.466 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.658 -0.409 14.937 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.533 -1.956 15.617 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.279 -0.285 15.154 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.682 -2.777 13.593 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.922 -1.203 13.478 1.00 0.00 H new ATOM 391 N ASP A 26 8.029 -2.465 11.567 1.00 0.00 N ATOM 392 CA ASP A 26 9.095 -3.045 10.767 1.00 0.00 C ATOM 393 C ASP A 26 9.008 -2.501 9.339 1.00 0.00 C ATOM 394 O ASP A 26 8.043 -2.771 8.626 1.00 0.00 O ATOM 395 CB ASP A 26 8.968 -4.568 10.701 1.00 0.00 C ATOM 396 CG ASP A 26 10.110 -5.281 9.974 1.00 0.00 C ATOM 397 OD1 ASP A 26 9.909 -5.892 8.913 1.00 0.00 O ATOM 398 OD2 ASP A 26 11.262 -5.191 10.547 1.00 0.00 O ATOM 0 H ASP A 26 7.217 -3.069 11.699 1.00 0.00 H new ATOM 0 HA ASP A 26 10.046 -2.782 11.231 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.906 -4.957 11.717 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.030 -4.818 10.206 1.00 0.00 H new ATOM 404 N CYS A 27 10.029 -1.745 8.965 1.00 0.00 N ATOM 405 CA CYS A 27 10.080 -1.161 7.636 1.00 0.00 C ATOM 406 C CYS A 27 10.647 -2.206 6.673 1.00 0.00 C ATOM 407 O CYS A 27 10.550 -2.052 5.457 1.00 0.00 O ATOM 408 CB CYS A 27 10.896 0.134 7.617 1.00 0.00 C ATOM 409 SG CYS A 27 10.766 1.145 9.137 1.00 0.00 S ATOM 0 H CYS A 27 10.828 -1.523 9.559 1.00 0.00 H new ATOM 0 HA CYS A 27 9.074 -0.884 7.320 1.00 0.00 H new ATOM 0 HB2 CYS A 27 11.944 -0.116 7.452 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.575 0.737 6.768 1.00 0.00 H new ATOM 414 N LYS A 28 11.227 -3.246 7.254 1.00 0.00 N ATOM 415 CA LYS A 28 11.809 -4.317 6.463 1.00 0.00 C ATOM 416 C LYS A 28 10.694 -5.226 5.944 1.00 0.00 C ATOM 417 O LYS A 28 10.952 -6.161 5.187 1.00 0.00 O ATOM 418 CB LYS A 28 12.881 -5.055 7.267 1.00 0.00 C ATOM 419 CG LYS A 28 14.146 -4.206 7.406 1.00 0.00 C ATOM 420 CD LYS A 28 15.360 -4.931 6.821 1.00 0.00 C ATOM 421 CE LYS A 28 15.931 -5.938 7.821 1.00 0.00 C ATOM 422 NZ LYS A 28 16.435 -7.138 7.118 1.00 0.00 N ATOM 0 H LYS A 28 11.306 -3.370 8.263 1.00 0.00 H new ATOM 0 HA LYS A 28 12.321 -3.911 5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.494 -5.301 8.256 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.124 -5.998 6.776 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.006 -3.253 6.896 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.324 -3.982 8.458 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.074 -5.446 5.904 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.127 -4.205 6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.738 -5.477 8.390 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.161 -6.225 8.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.819 -7.811 7.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.656 -7.587 6.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 17.185 -6.861 6.453 1.00 0.00 H new ATOM 435 N LYS A 29 9.478 -4.921 6.372 1.00 0.00 N ATOM 436 CA LYS A 29 8.322 -5.700 5.960 1.00 0.00 C ATOM 437 C LYS A 29 8.068 -5.476 4.468 1.00 0.00 C ATOM 438 O LYS A 29 7.881 -6.432 3.717 1.00 0.00 O ATOM 439 CB LYS A 29 7.116 -5.377 6.845 1.00 0.00 C ATOM 440 CG LYS A 29 6.956 -6.419 7.954 1.00 0.00 C ATOM 441 CD LYS A 29 6.349 -7.713 7.408 1.00 0.00 C ATOM 442 CE LYS A 29 5.043 -8.053 8.129 1.00 0.00 C ATOM 443 NZ LYS A 29 4.730 -9.493 7.983 1.00 0.00 N ATOM 0 H LYS A 29 9.268 -4.145 7.000 1.00 0.00 H new ATOM 0 HA LYS A 29 8.511 -6.765 6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.238 -4.387 7.285 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.212 -5.346 6.237 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.927 -6.630 8.403 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.320 -6.020 8.744 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.162 -7.608 6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.059 -8.531 7.529 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.127 -7.798 9.185 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.229 -7.455 7.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.841 -9.707 8.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.629 -9.726 6.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.500 -10.059 8.394 1.00 0.00 H new ATOM 456 N CYS A 30 8.068 -4.208 4.084 1.00 0.00 N ATOM 457 CA CYS A 30 7.840 -3.847 2.695 1.00 0.00 C ATOM 458 C CYS A 30 9.194 -3.551 2.047 1.00 0.00 C ATOM 459 O CYS A 30 9.533 -4.130 1.016 1.00 0.00 O ATOM 460 CB CYS A 30 6.876 -2.666 2.569 1.00 0.00 C ATOM 461 SG CYS A 30 5.460 -2.889 3.707 1.00 0.00 S ATOM 0 H CYS A 30 8.222 -3.418 4.710 1.00 0.00 H new ATOM 0 HA CYS A 30 7.363 -4.677 2.174 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.395 -1.736 2.800 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.519 -2.586 1.542 1.00 0.00 H new ATOM 466 N HIS A 31 9.931 -2.648 2.677 1.00 0.00 N ATOM 467 CA HIS A 31 11.240 -2.268 2.175 1.00 0.00 C ATOM 468 C HIS A 31 12.218 -3.430 2.359 1.00 0.00 C ATOM 469 O HIS A 31 12.585 -3.765 3.484 1.00 0.00 O ATOM 470 CB HIS A 31 11.722 -0.976 2.839 1.00 0.00 C ATOM 471 CG HIS A 31 10.832 0.216 2.582 1.00 0.00 C ATOM 472 ND1 HIS A 31 10.639 0.751 1.321 1.00 0.00 N ATOM 473 CD2 HIS A 31 10.084 0.970 3.438 1.00 0.00 C ATOM 474 CE1 HIS A 31 9.812 1.780 1.424 1.00 0.00 C ATOM 475 NE2 HIS A 31 9.469 1.914 2.737 1.00 0.00 N ATOM 0 H HIS A 31 9.646 -2.168 3.531 1.00 0.00 H new ATOM 0 HA HIS A 31 11.177 -2.058 1.107 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.794 -1.137 3.915 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.727 -0.750 2.483 1.00 0.00 H new ATOM 0 HD1 HIS A 31 11.062 0.410 0.458 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.006 0.824 4.505 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.469 2.403 0.611 1.00 0.00 H new ATOM 483 N GLU A 32 12.611 -4.013 1.236 1.00 0.00 N ATOM 484 CA GLU A 32 13.539 -5.131 1.259 1.00 0.00 C ATOM 485 C GLU A 32 14.977 -4.631 1.107 1.00 0.00 C ATOM 486 O GLU A 32 15.859 -5.024 1.868 1.00 0.00 O ATOM 487 CB GLU A 32 13.196 -6.151 0.172 1.00 0.00 C ATOM 488 CG GLU A 32 13.195 -7.574 0.735 1.00 0.00 C ATOM 489 CD GLU A 32 14.509 -8.290 0.417 1.00 0.00 C ATOM 490 OE1 GLU A 32 15.554 -7.636 0.279 1.00 0.00 O ATOM 491 OE2 GLU A 32 14.420 -9.573 0.314 1.00 0.00 O ATOM 0 H GLU A 32 12.304 -3.732 0.305 1.00 0.00 H new ATOM 0 HA GLU A 32 13.449 -5.632 2.223 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.217 -5.923 -0.250 1.00 0.00 H new ATOM 0 HB3 GLU A 32 13.919 -6.078 -0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.046 -7.542 1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.360 -8.135 0.315 1.00 0.00 H new ATOM 499 N LYS A 33 15.168 -3.770 0.117 1.00 0.00 N ATOM 500 CA LYS A 33 16.484 -3.212 -0.145 1.00 0.00 C ATOM 501 C LYS A 33 16.636 -1.895 0.619 1.00 0.00 C ATOM 502 O LYS A 33 17.404 -1.024 0.215 1.00 0.00 O ATOM 503 CB LYS A 33 16.720 -3.080 -1.651 1.00 0.00 C ATOM 504 CG LYS A 33 16.678 -4.448 -2.334 1.00 0.00 C ATOM 505 CD LYS A 33 17.808 -4.584 -3.357 1.00 0.00 C ATOM 506 CE LYS A 33 18.729 -5.754 -3.004 1.00 0.00 C ATOM 507 NZ LYS A 33 19.830 -5.300 -2.126 1.00 0.00 N ATOM 0 H LYS A 33 14.434 -3.446 -0.512 1.00 0.00 H new ATOM 0 HA LYS A 33 17.262 -3.884 0.218 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.962 -2.429 -2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.686 -2.609 -1.831 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.764 -5.235 -1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.716 -4.582 -2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.387 -4.735 -4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.385 -3.660 -3.392 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.157 -6.537 -2.505 1.00 0.00 H new ATOM 0 HE3 LYS A 33 19.139 -6.190 -3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.446 -6.106 -1.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 20.385 -4.569 -2.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.434 -4.905 -1.249 1.00 0.00 H new ATOM 520 N GLY A 34 15.891 -1.791 1.710 1.00 0.00 N ATOM 521 CA GLY A 34 15.932 -0.596 2.534 1.00 0.00 C ATOM 522 C GLY A 34 14.856 0.403 2.106 1.00 0.00 C ATOM 523 O GLY A 34 14.152 0.220 1.116 1.00 0.00 O ATOM 0 H GLY A 34 15.255 -2.516 2.042 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.787 -0.866 3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.915 -0.131 2.458 1.00 0.00 H new ATOM 527 N PRO A 35 14.742 1.480 2.887 1.00 0.00 N ATOM 528 CA PRO A 35 13.793 2.550 2.669 1.00 0.00 C ATOM 529 C PRO A 35 14.014 3.155 1.289 1.00 0.00 C ATOM 530 O PRO A 35 15.163 3.256 0.862 1.00 0.00 O ATOM 531 CB PRO A 35 14.092 3.569 3.767 1.00 0.00 C ATOM 532 CG PRO A 35 15.509 3.241 4.257 1.00 0.00 C ATOM 533 CD PRO A 35 15.554 1.728 4.060 1.00 0.00 C ATOM 0 HA PRO A 35 12.757 2.213 2.707 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.036 4.588 3.383 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.369 3.494 4.579 1.00 0.00 H new ATOM 0 HG2 PRO A 35 16.274 3.754 3.674 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.659 3.524 5.299 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.576 1.379 3.914 1.00 0.00 H new ATOM 0 HD3 PRO A 35 15.160 1.204 4.931 1.00 0.00 H new ATOM 541 N GLY A 36 12.931 3.538 0.629 1.00 0.00 N ATOM 542 CA GLY A 36 13.032 4.125 -0.696 1.00 0.00 C ATOM 543 C GLY A 36 11.972 3.546 -1.635 1.00 0.00 C ATOM 544 O GLY A 36 11.012 2.924 -1.184 1.00 0.00 O ATOM 0 H GLY A 36 11.980 3.453 0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.912 5.206 -0.629 1.00 0.00 H new ATOM 0 HA3 GLY A 36 14.025 3.940 -1.105 1.00 0.00 H new ATOM 548 N LYS A 37 12.182 3.771 -2.924 1.00 0.00 N ATOM 549 CA LYS A 37 11.257 3.279 -3.930 1.00 0.00 C ATOM 550 C LYS A 37 11.375 1.757 -4.025 1.00 0.00 C ATOM 551 O LYS A 37 12.432 1.194 -3.743 1.00 0.00 O ATOM 552 CB LYS A 37 11.482 3.997 -5.262 1.00 0.00 C ATOM 553 CG LYS A 37 10.697 5.310 -5.317 1.00 0.00 C ATOM 554 CD LYS A 37 11.631 6.513 -5.167 1.00 0.00 C ATOM 555 CE LYS A 37 11.663 7.345 -6.451 1.00 0.00 C ATOM 556 NZ LYS A 37 11.604 8.789 -6.134 1.00 0.00 N ATOM 0 H LYS A 37 12.980 4.288 -3.294 1.00 0.00 H new ATOM 0 HA LYS A 37 10.229 3.502 -3.643 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.545 4.199 -5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.175 3.351 -6.084 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.160 5.378 -6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.949 5.324 -4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.299 7.134 -4.335 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.637 6.169 -4.927 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.573 7.126 -7.011 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.823 7.072 -7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.627 9.339 -7.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.724 8.996 -5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.420 9.048 -5.543 1.00 0.00 H new ATOM 569 N ILE A 38 10.275 1.133 -4.422 1.00 0.00 N ATOM 570 CA ILE A 38 10.243 -0.313 -4.558 1.00 0.00 C ATOM 571 C ILE A 38 10.208 -0.681 -6.042 1.00 0.00 C ATOM 572 O ILE A 38 9.277 -0.312 -6.756 1.00 0.00 O ATOM 573 CB ILE A 38 9.082 -0.900 -3.751 1.00 0.00 C ATOM 574 CG1 ILE A 38 9.168 -0.481 -2.282 1.00 0.00 C ATOM 575 CG2 ILE A 38 9.018 -2.421 -3.911 1.00 0.00 C ATOM 576 CD1 ILE A 38 7.875 -0.822 -1.539 1.00 0.00 C ATOM 0 H ILE A 38 9.400 1.603 -4.654 1.00 0.00 H new ATOM 0 HA ILE A 38 11.148 -0.756 -4.141 1.00 0.00 H new ATOM 0 HB ILE A 38 8.151 -0.495 -4.147 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.009 -0.984 -1.805 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.358 0.590 -2.216 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.185 -2.813 -3.328 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.875 -2.671 -4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.949 -2.864 -3.557 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.962 -0.514 -0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.039 -0.298 -2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.701 -1.897 -1.586 1.00 0.00 H new ATOM 588 N GLU A 39 11.235 -1.405 -6.464 1.00 0.00 N ATOM 589 CA GLU A 39 11.334 -1.827 -7.850 1.00 0.00 C ATOM 590 C GLU A 39 10.490 -3.082 -8.085 1.00 0.00 C ATOM 591 O GLU A 39 10.528 -4.018 -7.288 1.00 0.00 O ATOM 592 CB GLU A 39 12.792 -2.065 -8.248 1.00 0.00 C ATOM 593 CG GLU A 39 13.444 -0.771 -8.740 1.00 0.00 C ATOM 594 CD GLU A 39 14.602 -0.360 -7.829 1.00 0.00 C ATOM 595 OE1 GLU A 39 14.381 0.309 -6.808 1.00 0.00 O ATOM 596 OE2 GLU A 39 15.767 -0.761 -8.212 1.00 0.00 O ATOM 0 H GLU A 39 12.006 -1.710 -5.869 1.00 0.00 H new ATOM 0 HA GLU A 39 10.945 -1.028 -8.481 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.347 -2.454 -7.394 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.840 -2.821 -9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.808 -0.907 -9.758 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.701 0.026 -8.771 1.00 0.00 H new ATOM 604 N GLY A 40 9.748 -3.060 -9.182 1.00 0.00 N ATOM 605 CA GLY A 40 8.896 -4.184 -9.531 1.00 0.00 C ATOM 606 C GLY A 40 7.436 -3.897 -9.176 1.00 0.00 C ATOM 607 O GLY A 40 6.527 -4.294 -9.903 1.00 0.00 O ATOM 0 H GLY A 40 9.719 -2.282 -9.841 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.980 -4.391 -10.598 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.233 -5.077 -9.005 1.00 0.00 H new ATOM 611 N PHE A 41 7.256 -3.207 -8.059 1.00 0.00 N ATOM 612 CA PHE A 41 5.922 -2.862 -7.598 1.00 0.00 C ATOM 613 C PHE A 41 5.015 -2.493 -8.774 1.00 0.00 C ATOM 614 O PHE A 41 5.498 -2.159 -9.855 1.00 0.00 O ATOM 615 CB PHE A 41 6.067 -1.647 -6.680 1.00 0.00 C ATOM 616 CG PHE A 41 4.752 -1.183 -6.051 1.00 0.00 C ATOM 617 CD1 PHE A 41 4.326 -1.733 -4.882 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.009 -0.220 -6.660 1.00 0.00 C ATOM 619 CE1 PHE A 41 3.105 -1.302 -4.298 1.00 0.00 C ATOM 620 CE2 PHE A 41 2.788 0.211 -6.076 1.00 0.00 C ATOM 621 CZ PHE A 41 2.362 -0.339 -4.907 1.00 0.00 C ATOM 0 H PHE A 41 8.013 -2.877 -7.459 1.00 0.00 H new ATOM 0 HA PHE A 41 5.475 -3.711 -7.081 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.773 -1.887 -5.885 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.496 -0.823 -7.250 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.916 -2.497 -4.398 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.348 0.217 -7.588 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.766 -1.739 -3.370 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.198 0.975 -6.560 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.434 -0.011 -4.462 1.00 0.00 H new ATOM 631 N GLY A 42 3.716 -2.567 -8.523 1.00 0.00 N ATOM 632 CA GLY A 42 2.737 -2.245 -9.547 1.00 0.00 C ATOM 633 C GLY A 42 1.352 -2.770 -9.166 1.00 0.00 C ATOM 634 O GLY A 42 1.054 -2.947 -7.986 1.00 0.00 O ATOM 0 H GLY A 42 3.319 -2.845 -7.626 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.694 -1.165 -9.687 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.045 -2.678 -10.499 1.00 0.00 H new ATOM 638 N LYS A 43 0.541 -3.005 -10.187 1.00 0.00 N ATOM 639 CA LYS A 43 -0.806 -3.506 -9.974 1.00 0.00 C ATOM 640 C LYS A 43 -0.735 -4.857 -9.258 1.00 0.00 C ATOM 641 O LYS A 43 -0.956 -4.935 -8.050 1.00 0.00 O ATOM 642 CB LYS A 43 -1.577 -3.551 -11.295 1.00 0.00 C ATOM 643 CG LYS A 43 -3.084 -3.633 -11.047 1.00 0.00 C ATOM 644 CD LYS A 43 -3.748 -4.603 -12.027 1.00 0.00 C ATOM 645 CE LYS A 43 -4.924 -3.938 -12.745 1.00 0.00 C ATOM 646 NZ LYS A 43 -5.391 -4.782 -13.867 1.00 0.00 N ATOM 0 H LYS A 43 0.791 -2.858 -11.165 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.366 -2.830 -9.328 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.349 -2.662 -11.884 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.254 -4.412 -11.880 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.271 -3.959 -10.024 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.528 -2.643 -11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.016 -4.944 -12.759 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.097 -5.485 -11.491 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.741 -3.773 -12.042 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.623 -2.960 -13.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.189 -4.316 -14.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.615 -4.918 -14.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.698 -5.706 -13.502 1.00 0.00 H new ATOM 659 N GLU A 44 -0.426 -5.886 -10.033 1.00 0.00 N ATOM 660 CA GLU A 44 -0.324 -7.229 -9.487 1.00 0.00 C ATOM 661 C GLU A 44 0.233 -7.182 -8.063 1.00 0.00 C ATOM 662 O GLU A 44 -0.178 -7.963 -7.206 1.00 0.00 O ATOM 663 CB GLU A 44 0.538 -8.120 -10.384 1.00 0.00 C ATOM 664 CG GLU A 44 -0.252 -8.598 -11.604 1.00 0.00 C ATOM 665 CD GLU A 44 -1.401 -7.640 -11.922 1.00 0.00 C ATOM 666 OE1 GLU A 44 -1.223 -6.697 -12.707 1.00 0.00 O ATOM 667 OE2 GLU A 44 -2.513 -7.903 -11.322 1.00 0.00 O ATOM 0 H GLU A 44 -0.243 -5.817 -11.034 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.323 -7.663 -9.451 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.420 -7.569 -10.711 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.892 -8.980 -9.816 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.412 -8.674 -12.465 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.647 -9.597 -11.418 1.00 0.00 H new ATOM 675 N MET A 45 1.159 -6.258 -7.854 1.00 0.00 N ATOM 676 CA MET A 45 1.776 -6.100 -6.548 1.00 0.00 C ATOM 677 C MET A 45 0.783 -5.520 -5.539 1.00 0.00 C ATOM 678 O MET A 45 0.517 -6.129 -4.504 1.00 0.00 O ATOM 679 CB MET A 45 2.987 -5.171 -6.664 1.00 0.00 C ATOM 680 CG MET A 45 4.110 -5.613 -5.724 1.00 0.00 C ATOM 681 SD MET A 45 5.093 -6.884 -6.502 1.00 0.00 S ATOM 682 CE MET A 45 6.400 -7.046 -5.297 1.00 0.00 C ATOM 0 H MET A 45 1.497 -5.611 -8.567 1.00 0.00 H new ATOM 0 HA MET A 45 2.092 -7.082 -6.195 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.349 -5.167 -7.692 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.690 -4.149 -6.426 1.00 0.00 H new ATOM 0 HG2 MET A 45 4.739 -4.760 -5.469 1.00 0.00 H new ATOM 0 HG3 MET A 45 3.688 -5.988 -4.791 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.108 -7.805 -5.628 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.915 -6.092 -5.189 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.975 -7.340 -4.337 1.00 0.00 H new ATOM 692 N ALA A 46 0.262 -4.349 -5.876 1.00 0.00 N ATOM 693 CA ALA A 46 -0.697 -3.681 -5.012 1.00 0.00 C ATOM 694 C ALA A 46 -1.815 -4.658 -4.645 1.00 0.00 C ATOM 695 O ALA A 46 -2.120 -4.845 -3.468 1.00 0.00 O ATOM 696 CB ALA A 46 -1.225 -2.426 -5.710 1.00 0.00 C ATOM 0 H ALA A 46 0.486 -3.846 -6.735 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.221 -3.363 -4.085 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.944 -1.925 -5.062 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.396 -1.751 -5.922 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.712 -2.707 -6.644 1.00 0.00 H new ATOM 702 N HIS A 47 -2.396 -5.256 -5.675 1.00 0.00 N ATOM 703 CA HIS A 47 -3.474 -6.210 -5.476 1.00 0.00 C ATOM 704 C HIS A 47 -2.916 -7.495 -4.862 1.00 0.00 C ATOM 705 O HIS A 47 -3.583 -8.145 -4.059 1.00 0.00 O ATOM 706 CB HIS A 47 -4.229 -6.457 -6.783 1.00 0.00 C ATOM 707 CG HIS A 47 -4.765 -5.202 -7.430 1.00 0.00 C ATOM 708 ND1 HIS A 47 -4.913 -5.069 -8.800 1.00 0.00 N ATOM 709 CD2 HIS A 47 -5.187 -4.027 -6.881 1.00 0.00 C ATOM 710 CE1 HIS A 47 -5.402 -3.863 -9.052 1.00 0.00 C ATOM 711 NE2 HIS A 47 -5.570 -3.219 -7.862 1.00 0.00 N ATOM 0 H HIS A 47 -2.141 -5.098 -6.650 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.202 -5.800 -4.776 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.564 -6.960 -7.485 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.059 -7.136 -6.588 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -4.685 -5.778 -9.497 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.206 -3.794 -5.827 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.628 -3.461 -10.029 1.00 0.00 H new ATOM 719 N GLY A 48 -1.696 -7.823 -5.263 1.00 0.00 N ATOM 720 CA GLY A 48 -1.040 -9.019 -4.762 1.00 0.00 C ATOM 721 C GLY A 48 -0.534 -8.809 -3.333 1.00 0.00 C ATOM 722 O GLY A 48 -1.235 -8.236 -2.501 1.00 0.00 O ATOM 0 H GLY A 48 -1.145 -7.281 -5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.737 -9.857 -4.786 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.205 -9.280 -5.413 1.00 0.00 H new ATOM 726 N LYS A 49 0.678 -9.285 -3.093 1.00 0.00 N ATOM 727 CA LYS A 49 1.286 -9.157 -1.779 1.00 0.00 C ATOM 728 C LYS A 49 1.949 -7.784 -1.661 1.00 0.00 C ATOM 729 O LYS A 49 3.057 -7.668 -1.139 1.00 0.00 O ATOM 730 CB LYS A 49 2.239 -10.325 -1.513 1.00 0.00 C ATOM 731 CG LYS A 49 3.507 -10.201 -2.360 1.00 0.00 C ATOM 732 CD LYS A 49 4.733 -10.689 -1.585 1.00 0.00 C ATOM 733 CE LYS A 49 5.519 -11.722 -2.395 1.00 0.00 C ATOM 734 NZ LYS A 49 6.451 -11.049 -3.327 1.00 0.00 N ATOM 0 H LYS A 49 1.256 -9.760 -3.786 1.00 0.00 H new ATOM 0 HA LYS A 49 0.525 -9.213 -1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.504 -10.349 -0.456 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.738 -11.267 -1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.396 -10.782 -3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.650 -9.162 -2.658 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.377 -9.843 -1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.418 -11.127 -0.638 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.076 -12.374 -1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.830 -12.355 -2.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.977 -11.764 -3.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.913 -10.446 -3.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.120 -10.464 -2.787 1.00 0.00 H new ATOM 747 N GLY A 50 1.243 -6.777 -2.154 1.00 0.00 N ATOM 748 CA GLY A 50 1.750 -5.415 -2.110 1.00 0.00 C ATOM 749 C GLY A 50 0.902 -4.545 -1.180 1.00 0.00 C ATOM 750 O GLY A 50 1.429 -3.911 -0.267 1.00 0.00 O ATOM 0 H GLY A 50 0.324 -6.876 -2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.785 -5.419 -1.767 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.748 -4.990 -3.114 1.00 0.00 H new ATOM 754 N CYS A 51 -0.396 -4.543 -1.444 1.00 0.00 N ATOM 755 CA CYS A 51 -1.322 -3.761 -0.642 1.00 0.00 C ATOM 756 C CYS A 51 -2.388 -4.705 -0.082 1.00 0.00 C ATOM 757 O CYS A 51 -2.265 -5.188 1.043 1.00 0.00 O ATOM 758 CB CYS A 51 -1.940 -2.616 -1.447 1.00 0.00 C ATOM 759 SG CYS A 51 -0.739 -1.392 -2.086 1.00 0.00 S ATOM 0 H CYS A 51 -0.829 -5.071 -2.202 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.786 -3.290 0.182 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.490 -3.038 -2.288 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.665 -2.099 -0.819 1.00 0.00 H new ATOM 764 N LYS A 52 -3.409 -4.939 -0.891 1.00 0.00 N ATOM 765 CA LYS A 52 -4.496 -5.817 -0.491 1.00 0.00 C ATOM 766 C LYS A 52 -3.916 -7.081 0.147 1.00 0.00 C ATOM 767 O LYS A 52 -4.320 -7.470 1.242 1.00 0.00 O ATOM 768 CB LYS A 52 -5.424 -6.095 -1.674 1.00 0.00 C ATOM 769 CG LYS A 52 -6.324 -4.891 -1.961 1.00 0.00 C ATOM 770 CD LYS A 52 -7.715 -5.340 -2.411 1.00 0.00 C ATOM 771 CE LYS A 52 -7.749 -5.594 -3.920 1.00 0.00 C ATOM 772 NZ LYS A 52 -7.267 -6.959 -4.227 1.00 0.00 N ATOM 0 H LYS A 52 -3.508 -4.536 -1.823 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.117 -5.335 0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.831 -6.329 -2.558 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.038 -6.970 -1.461 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.409 -4.275 -1.066 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.871 -4.270 -2.734 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.997 -6.249 -1.879 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.449 -4.577 -2.151 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.765 -5.468 -4.293 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.128 -4.859 -4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.484 -7.189 -5.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.239 -7.006 -4.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.739 -7.643 -3.601 1.00 0.00 H new ATOM 785 N GLY A 53 -2.979 -7.688 -0.566 1.00 0.00 N ATOM 786 CA GLY A 53 -2.339 -8.901 -0.084 1.00 0.00 C ATOM 787 C GLY A 53 -2.292 -8.924 1.446 1.00 0.00 C ATOM 788 O GLY A 53 -2.907 -9.783 2.076 1.00 0.00 O ATOM 0 H GLY A 53 -2.647 -7.363 -1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.883 -9.773 -0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.327 -8.966 -0.484 1.00 0.00 H new ATOM 792 N CYS A 54 -1.556 -7.971 1.998 1.00 0.00 N ATOM 793 CA CYS A 54 -1.421 -7.872 3.441 1.00 0.00 C ATOM 794 C CYS A 54 -2.816 -7.692 4.043 1.00 0.00 C ATOM 795 O CYS A 54 -3.188 -8.397 4.980 1.00 0.00 O ATOM 796 CB CYS A 54 -0.475 -6.739 3.844 1.00 0.00 C ATOM 797 SG CYS A 54 -0.224 -6.748 5.657 1.00 0.00 S ATOM 0 H CYS A 54 -1.047 -7.261 1.472 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.974 -8.786 3.830 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.482 -6.855 3.336 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.888 -5.780 3.531 1.00 0.00 H new ATOM 802 N HIS A 55 -3.550 -6.743 3.481 1.00 0.00 N ATOM 803 CA HIS A 55 -4.896 -6.461 3.951 1.00 0.00 C ATOM 804 C HIS A 55 -5.664 -7.772 4.126 1.00 0.00 C ATOM 805 O HIS A 55 -5.932 -8.194 5.250 1.00 0.00 O ATOM 806 CB HIS A 55 -5.604 -5.480 3.014 1.00 0.00 C ATOM 807 CG HIS A 55 -5.041 -4.079 3.052 1.00 0.00 C ATOM 808 ND1 HIS A 55 -5.533 -3.051 2.267 1.00 0.00 N ATOM 809 CD2 HIS A 55 -4.023 -3.547 3.789 1.00 0.00 C ATOM 810 CE1 HIS A 55 -4.836 -1.955 2.527 1.00 0.00 C ATOM 811 NE2 HIS A 55 -3.901 -2.265 3.470 1.00 0.00 N ATOM 0 H HIS A 55 -3.238 -6.160 2.705 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.850 -5.974 4.925 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.541 -5.858 1.994 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.662 -5.443 3.275 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -6.302 -3.125 1.601 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.419 -4.079 4.509 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -4.982 -0.986 2.072 1.00 0.00 H new ATOM 819 N GLU A 56 -5.996 -8.381 2.997 1.00 0.00 N ATOM 820 CA GLU A 56 -6.728 -9.637 3.012 1.00 0.00 C ATOM 821 C GLU A 56 -6.002 -10.664 3.883 1.00 0.00 C ATOM 822 O GLU A 56 -6.608 -11.631 4.343 1.00 0.00 O ATOM 823 CB GLU A 56 -6.932 -10.168 1.592 1.00 0.00 C ATOM 824 CG GLU A 56 -5.748 -9.804 0.694 1.00 0.00 C ATOM 825 CD GLU A 56 -5.409 -10.951 -0.259 1.00 0.00 C ATOM 826 OE1 GLU A 56 -6.157 -11.207 -1.214 1.00 0.00 O ATOM 827 OE2 GLU A 56 -4.322 -11.588 0.020 1.00 0.00 O ATOM 0 H GLU A 56 -5.772 -8.029 2.066 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.713 -9.457 3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.053 -11.251 1.619 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.850 -9.755 1.174 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.984 -8.908 0.120 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.879 -9.569 1.309 1.00 0.00 H new ATOM 835 N GLU A 57 -4.716 -10.419 4.083 1.00 0.00 N ATOM 836 CA GLU A 57 -3.901 -11.311 4.891 1.00 0.00 C ATOM 837 C GLU A 57 -4.450 -11.385 6.318 1.00 0.00 C ATOM 838 O GLU A 57 -4.685 -12.473 6.841 1.00 0.00 O ATOM 839 CB GLU A 57 -2.437 -10.869 4.889 1.00 0.00 C ATOM 840 CG GLU A 57 -1.501 -12.072 4.753 1.00 0.00 C ATOM 841 CD GLU A 57 -1.846 -12.898 3.513 1.00 0.00 C ATOM 842 OE1 GLU A 57 -1.654 -12.428 2.382 1.00 0.00 O ATOM 843 OE2 GLU A 57 -2.330 -14.069 3.755 1.00 0.00 O ATOM 0 H GLU A 57 -4.218 -9.616 3.700 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.945 -12.308 4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.264 -10.175 4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.214 -10.333 5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.468 -11.728 4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.575 -12.697 5.643 1.00 0.00 H new ATOM 851 N MET A 58 -4.637 -10.213 6.906 1.00 0.00 N ATOM 852 CA MET A 58 -5.154 -10.130 8.262 1.00 0.00 C ATOM 853 C MET A 58 -6.642 -9.775 8.261 1.00 0.00 C ATOM 854 O MET A 58 -7.237 -9.576 9.319 1.00 0.00 O ATOM 855 CB MET A 58 -4.375 -9.068 9.042 1.00 0.00 C ATOM 856 CG MET A 58 -2.880 -9.392 9.065 1.00 0.00 C ATOM 857 SD MET A 58 -2.355 -9.729 10.737 1.00 0.00 S ATOM 858 CE MET A 58 -1.937 -8.078 11.270 1.00 0.00 C ATOM 0 H MET A 58 -4.440 -9.313 6.469 1.00 0.00 H new ATOM 0 HA MET A 58 -5.033 -11.104 8.737 1.00 0.00 H new ATOM 0 HB2 MET A 58 -4.532 -8.090 8.588 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.754 -9.010 10.062 1.00 0.00 H new ATOM 0 HG2 MET A 58 -2.676 -10.254 8.430 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.312 -8.556 8.658 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.587 -8.106 12.302 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.150 -7.678 10.631 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.818 -7.440 11.203 1.00 0.00 H new ATOM 868 N LYS A 59 -7.201 -9.706 7.062 1.00 0.00 N ATOM 869 CA LYS A 59 -8.608 -9.378 6.910 1.00 0.00 C ATOM 870 C LYS A 59 -8.834 -7.921 7.316 1.00 0.00 C ATOM 871 O LYS A 59 -9.974 -7.466 7.400 1.00 0.00 O ATOM 872 CB LYS A 59 -9.476 -10.374 7.681 1.00 0.00 C ATOM 873 CG LYS A 59 -9.835 -11.580 6.810 1.00 0.00 C ATOM 874 CD LYS A 59 -8.725 -12.632 6.846 1.00 0.00 C ATOM 875 CE LYS A 59 -9.241 -13.953 7.418 1.00 0.00 C ATOM 876 NZ LYS A 59 -8.162 -14.967 7.437 1.00 0.00 N ATOM 0 H LYS A 59 -6.705 -9.872 6.186 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.910 -9.468 5.867 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.946 -10.710 8.572 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.388 -9.881 8.019 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.769 -12.020 7.159 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.000 -11.255 5.783 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.339 -12.793 5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.894 -12.269 7.451 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.618 -13.796 8.429 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.077 -14.314 6.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.530 -15.858 7.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.821 -15.129 6.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.377 -14.627 8.028 1.00 0.00 H new ATOM 889 N LYS A 60 -7.731 -7.229 7.557 1.00 0.00 N ATOM 890 CA LYS A 60 -7.794 -5.832 7.953 1.00 0.00 C ATOM 891 C LYS A 60 -7.403 -4.952 6.764 1.00 0.00 C ATOM 892 O LYS A 60 -6.578 -5.345 5.941 1.00 0.00 O ATOM 893 CB LYS A 60 -6.946 -5.590 9.203 1.00 0.00 C ATOM 894 CG LYS A 60 -7.310 -6.579 10.312 1.00 0.00 C ATOM 895 CD LYS A 60 -7.976 -5.863 11.488 1.00 0.00 C ATOM 896 CE LYS A 60 -8.255 -6.836 12.636 1.00 0.00 C ATOM 897 NZ LYS A 60 -9.479 -6.439 13.367 1.00 0.00 N ATOM 0 H LYS A 60 -6.787 -7.610 7.486 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.812 -5.560 8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.889 -5.689 8.955 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.096 -4.570 9.557 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.982 -7.341 9.918 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.412 -7.092 10.656 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.332 -5.056 11.839 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.909 -5.406 11.159 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.370 -7.847 12.244 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.406 -6.854 13.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.653 -7.110 14.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.355 -5.483 13.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.290 -6.445 12.716 1.00 0.00 H new ATOM 910 N GLY A 61 -8.014 -3.777 6.713 1.00 0.00 N ATOM 911 CA GLY A 61 -7.740 -2.838 5.638 1.00 0.00 C ATOM 912 C GLY A 61 -8.727 -3.022 4.484 1.00 0.00 C ATOM 913 O GLY A 61 -9.418 -4.032 4.371 1.00 0.00 O ATOM 0 H GLY A 61 -8.697 -3.454 7.398 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.804 -1.818 6.017 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.722 -2.981 5.276 1.00 0.00 H new ATOM 917 N PRO A 62 -8.775 -2.009 3.616 1.00 0.00 N ATOM 918 CA PRO A 62 -9.634 -1.972 2.451 1.00 0.00 C ATOM 919 C PRO A 62 -9.200 -3.046 1.463 1.00 0.00 C ATOM 920 O PRO A 62 -8.043 -3.035 1.045 1.00 0.00 O ATOM 921 CB PRO A 62 -9.438 -0.576 1.865 1.00 0.00 C ATOM 922 CG PRO A 62 -8.101 -0.134 2.353 1.00 0.00 C ATOM 923 CD PRO A 62 -7.976 -0.807 3.718 1.00 0.00 C ATOM 0 HA PRO A 62 -10.681 -2.163 2.688 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.473 -0.597 0.776 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.223 0.104 2.196 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.304 -0.446 1.678 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.043 0.951 2.434 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.937 -1.042 3.949 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.340 -0.157 4.514 1.00 0.00 H new ATOM 931 N THR A 63 -10.116 -3.937 1.115 1.00 0.00 N ATOM 932 CA THR A 63 -9.803 -5.004 0.178 1.00 0.00 C ATOM 933 C THR A 63 -10.748 -4.952 -1.024 1.00 0.00 C ATOM 934 O THR A 63 -10.553 -5.671 -2.003 1.00 0.00 O ATOM 935 CB THR A 63 -9.859 -6.331 0.938 1.00 0.00 C ATOM 936 OG1 THR A 63 -11.214 -6.428 1.369 1.00 0.00 O ATOM 937 CG2 THR A 63 -9.056 -6.294 2.240 1.00 0.00 C ATOM 0 H THR A 63 -11.074 -3.943 1.464 1.00 0.00 H new ATOM 0 HA THR A 63 -8.800 -4.889 -0.232 1.00 0.00 H new ATOM 0 HB THR A 63 -9.481 -7.130 0.301 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.339 -7.261 1.869 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.129 -7.260 2.740 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.011 -6.079 2.017 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.455 -5.517 2.892 1.00 0.00 H new ATOM 945 N LYS A 64 -11.752 -4.094 -0.910 1.00 0.00 N ATOM 946 CA LYS A 64 -12.728 -3.939 -1.976 1.00 0.00 C ATOM 947 C LYS A 64 -12.347 -2.734 -2.839 1.00 0.00 C ATOM 948 O LYS A 64 -11.644 -1.835 -2.380 1.00 0.00 O ATOM 949 CB LYS A 64 -14.143 -3.861 -1.399 1.00 0.00 C ATOM 950 CG LYS A 64 -14.404 -5.013 -0.427 1.00 0.00 C ATOM 951 CD LYS A 64 -15.553 -5.895 -0.918 1.00 0.00 C ATOM 952 CE LYS A 64 -15.279 -7.370 -0.619 1.00 0.00 C ATOM 953 NZ LYS A 64 -15.283 -8.161 -1.870 1.00 0.00 N ATOM 0 H LYS A 64 -11.910 -3.499 -0.096 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.723 -4.812 -2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.278 -2.909 -0.885 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.872 -3.892 -2.209 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.501 -5.613 -0.318 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.643 -4.615 0.559 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.482 -5.589 -0.437 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.689 -5.757 -1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.316 -7.473 -0.119 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.036 -7.755 0.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.096 -9.160 -1.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.211 -8.076 -2.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.545 -7.803 -2.509 1.00 0.00 H new ATOM 966 N CYS A 65 -12.828 -2.755 -4.073 1.00 0.00 N ATOM 967 CA CYS A 65 -12.547 -1.676 -5.004 1.00 0.00 C ATOM 968 C CYS A 65 -13.298 -0.428 -4.534 1.00 0.00 C ATOM 969 O CYS A 65 -14.284 -0.530 -3.805 1.00 0.00 O ATOM 970 CB CYS A 65 -12.915 -2.056 -6.439 1.00 0.00 C ATOM 971 SG CYS A 65 -12.851 -3.850 -6.798 1.00 0.00 S ATOM 0 H CYS A 65 -13.411 -3.503 -4.450 1.00 0.00 H new ATOM 0 HA CYS A 65 -11.476 -1.472 -5.015 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.921 -1.693 -6.649 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -12.240 -1.539 -7.121 1.00 0.00 H new ATOM 976 N GLY A 66 -12.803 0.721 -4.970 1.00 0.00 N ATOM 977 CA GLY A 66 -13.415 1.987 -4.603 1.00 0.00 C ATOM 978 C GLY A 66 -12.833 2.516 -3.290 1.00 0.00 C ATOM 979 O GLY A 66 -12.693 3.725 -3.112 1.00 0.00 O ATOM 0 H GLY A 66 -11.985 0.802 -5.574 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.254 2.717 -5.397 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.493 1.859 -4.502 1.00 0.00 H new ATOM 983 N GLU A 67 -12.510 1.585 -2.405 1.00 0.00 N ATOM 984 CA GLU A 67 -11.947 1.943 -1.114 1.00 0.00 C ATOM 985 C GLU A 67 -10.502 2.418 -1.278 1.00 0.00 C ATOM 986 O GLU A 67 -9.960 3.083 -0.398 1.00 0.00 O ATOM 987 CB GLU A 67 -12.030 0.770 -0.135 1.00 0.00 C ATOM 988 CG GLU A 67 -12.544 1.230 1.230 1.00 0.00 C ATOM 989 CD GLU A 67 -12.576 0.068 2.225 1.00 0.00 C ATOM 990 OE1 GLU A 67 -12.794 -1.085 1.824 1.00 0.00 O ATOM 991 OE2 GLU A 67 -12.363 0.396 3.454 1.00 0.00 O ATOM 0 H GLU A 67 -12.627 0.583 -2.556 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.534 2.763 -0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.692 0.003 -0.537 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.046 0.315 -0.023 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.905 2.025 1.614 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.544 1.649 1.123 1.00 0.00 H new ATOM 999 N CYS A 68 -9.920 2.057 -2.413 1.00 0.00 N ATOM 1000 CA CYS A 68 -8.548 2.439 -2.704 1.00 0.00 C ATOM 1001 C CYS A 68 -8.562 3.425 -3.874 1.00 0.00 C ATOM 1002 O CYS A 68 -7.931 4.479 -3.809 1.00 0.00 O ATOM 1003 CB CYS A 68 -7.672 1.219 -2.996 1.00 0.00 C ATOM 1004 SG CYS A 68 -6.543 0.909 -1.589 1.00 0.00 S ATOM 0 H CYS A 68 -10.373 1.505 -3.141 1.00 0.00 H new ATOM 0 HA CYS A 68 -8.108 2.920 -1.830 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.299 0.344 -3.170 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.095 1.384 -3.906 1.00 0.00 H new ATOM 1009 N HIS A 69 -9.287 3.047 -4.916 1.00 0.00 N ATOM 1010 CA HIS A 69 -9.391 3.885 -6.099 1.00 0.00 C ATOM 1011 C HIS A 69 -10.545 4.875 -5.926 1.00 0.00 C ATOM 1012 O HIS A 69 -11.711 4.498 -6.029 1.00 0.00 O ATOM 1013 CB HIS A 69 -9.527 3.029 -7.360 1.00 0.00 C ATOM 1014 CG HIS A 69 -8.381 2.071 -7.579 1.00 0.00 C ATOM 1015 ND1 HIS A 69 -7.119 2.488 -7.966 1.00 0.00 N ATOM 1016 CD2 HIS A 69 -8.319 0.714 -7.460 1.00 0.00 C ATOM 1017 CE1 HIS A 69 -6.341 1.421 -8.074 1.00 0.00 C ATOM 1018 NE2 HIS A 69 -7.087 0.322 -7.760 1.00 0.00 N ATOM 0 H HIS A 69 -9.808 2.172 -4.966 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.476 4.465 -6.221 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.456 2.461 -7.303 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.608 3.686 -8.226 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -6.836 3.453 -8.139 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.134 0.068 -7.171 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.300 1.421 -8.360 1.00 0.00 H new ATOM 1026 N LYS A 70 -10.178 6.122 -5.668 1.00 0.00 N ATOM 1027 CA LYS A 70 -11.168 7.169 -5.481 1.00 0.00 C ATOM 1028 C LYS A 70 -11.014 8.214 -6.587 1.00 0.00 C ATOM 1029 O LYS A 70 -9.982 8.876 -6.681 1.00 0.00 O ATOM 1030 CB LYS A 70 -11.073 7.750 -4.068 1.00 0.00 C ATOM 1031 CG LYS A 70 -11.564 6.743 -3.027 1.00 0.00 C ATOM 1032 CD LYS A 70 -12.707 7.329 -2.194 1.00 0.00 C ATOM 1033 CE LYS A 70 -12.760 6.686 -0.807 1.00 0.00 C ATOM 1034 NZ LYS A 70 -12.559 7.707 0.246 1.00 0.00 N ATOM 0 H LYS A 70 -9.209 6.431 -5.584 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.175 6.761 -5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.041 8.026 -3.853 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.667 8.662 -4.005 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.901 5.834 -3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.740 6.460 -2.372 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.574 8.406 -2.095 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.655 7.171 -2.709 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.722 6.193 -0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.992 5.916 -0.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.598 7.254 1.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.631 8.159 0.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.307 8.427 0.179 1.00 0.00 H new ATOM 1047 N LYS A 71 -12.056 8.329 -7.397 1.00 0.00 N ATOM 1048 CA LYS A 71 -12.050 9.283 -8.494 1.00 0.00 C ATOM 1049 C LYS A 71 -11.534 10.631 -7.989 1.00 0.00 C ATOM 1050 O LYS A 71 -10.913 11.383 -8.738 1.00 0.00 O ATOM 1051 CB LYS A 71 -13.432 9.358 -9.146 1.00 0.00 C ATOM 1052 CG LYS A 71 -13.478 10.460 -10.207 1.00 0.00 C ATOM 1053 CD LYS A 71 -12.647 10.074 -11.433 1.00 0.00 C ATOM 1054 CE LYS A 71 -13.549 9.691 -12.608 1.00 0.00 C ATOM 1055 NZ LYS A 71 -14.179 8.373 -12.369 1.00 0.00 N ATOM 0 H LYS A 71 -12.910 7.778 -7.316 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.370 8.956 -9.280 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.676 8.398 -9.602 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.188 9.550 -8.384 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -14.511 10.640 -10.505 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.101 11.392 -9.786 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.005 10.907 -11.719 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.993 9.238 -11.185 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.320 10.450 -12.745 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.965 9.660 -13.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.788 8.128 -13.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.440 7.649 -12.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.753 8.414 -11.502 1.00 0.00 H new TER 1068 LYS A 71 HETATM 1069 CHA HEM A 130 8.382 4.990 0.371 1.00 0.00 C HETATM 1070 CHB HEM A 130 10.850 5.096 4.569 1.00 0.00 C HETATM 1071 CHC HEM A 130 7.873 1.719 6.429 1.00 0.00 C HETATM 1072 CHD HEM A 130 5.721 1.260 2.021 1.00 0.00 C HETATM 1073 C1A HEM A 130 9.284 5.331 1.373 1.00 0.00 C HETATM 1074 C2A HEM A 130 10.264 6.386 1.259 1.00 0.00 C HETATM 1075 C3A HEM A 130 10.950 6.418 2.422 1.00 0.00 C HETATM 1076 C4A HEM A 130 10.401 5.383 3.267 1.00 0.00 C HETATM 1077 CMA HEM A 130 12.074 7.335 2.806 1.00 0.00 C HETATM 1078 CAA HEM A 130 10.449 7.259 0.053 1.00 0.00 C HETATM 1079 CBA HEM A 130 9.286 8.212 -0.208 1.00 0.00 C HETATM 1080 CGA HEM A 130 8.481 7.774 -1.423 1.00 0.00 C HETATM 1081 O1A HEM A 130 7.243 7.939 -1.373 1.00 0.00 O HETATM 1082 O2A HEM A 130 9.119 7.284 -2.380 1.00 0.00 O HETATM 1083 C1B HEM A 130 10.220 4.217 5.444 1.00 0.00 C HETATM 1084 C2B HEM A 130 10.573 4.065 6.836 1.00 0.00 C HETATM 1085 C3B HEM A 130 9.749 3.130 7.354 1.00 0.00 C HETATM 1086 C4B HEM A 130 8.879 2.693 6.288 1.00 0.00 C HETATM 1087 CMB HEM A 130 11.661 4.828 7.534 1.00 0.00 C HETATM 1088 CAB HEM A 130 9.710 2.612 8.762 1.00 0.00 C HETATM 1089 CBB HEM A 130 9.875 3.693 9.826 1.00 0.00 C HETATM 1090 C1C HEM A 130 7.119 1.164 5.301 1.00 0.00 C HETATM 1091 C2C HEM A 130 6.321 -0.039 5.325 1.00 0.00 C HETATM 1092 C3C HEM A 130 5.717 -0.139 4.122 1.00 0.00 C HETATM 1093 C4C HEM A 130 6.135 1.001 3.341 1.00 0.00 C HETATM 1094 CMC HEM A 130 6.213 -0.975 6.494 1.00 0.00 C HETATM 1095 CAC HEM A 130 4.783 -1.212 3.643 1.00 0.00 C HETATM 1096 CBC HEM A 130 3.484 -1.303 4.438 1.00 0.00 C HETATM 1097 C1D HEM A 130 6.261 2.247 1.204 1.00 0.00 C HETATM 1098 C2D HEM A 130 5.870 2.469 -0.168 1.00 0.00 C HETATM 1099 C3D HEM A 130 6.606 3.502 -0.629 1.00 0.00 C HETATM 1100 C4D HEM A 130 7.460 3.931 0.454 1.00 0.00 C HETATM 1101 CMD HEM A 130 4.832 1.673 -0.905 1.00 0.00 C HETATM 1102 CAD HEM A 130 6.576 4.121 -1.996 1.00 0.00 C HETATM 1103 CBD HEM A 130 6.978 3.168 -3.118 1.00 0.00 C HETATM 1104 CGD HEM A 130 5.763 2.457 -3.695 1.00 0.00 C HETATM 1105 O1D HEM A 130 4.813 3.176 -4.076 1.00 0.00 O HETATM 1106 O2D HEM A 130 5.805 1.209 -3.744 1.00 0.00 O HETATM 1107 NA HEM A 130 9.377 4.721 2.612 1.00 0.00 N HETATM 1108 NB HEM A 130 9.177 3.368 5.118 1.00 0.00 N HETATM 1109 NC HEM A 130 6.998 1.796 4.076 1.00 0.00 N HETATM 1110 ND HEM A 130 7.240 3.152 1.576 1.00 0.00 N HETATM 1111 FE HEM A 130 8.164 3.225 3.462 1.00 0.00 FE HETATM 0 HMA1 HEM A 130 12.061 7.495 3.884 1.00 0.00 H new HETATM 0 HMA2 HEM A 130 11.954 8.291 2.296 1.00 0.00 H new HETATM 0 HMA3 HEM A 130 13.024 6.886 2.517 1.00 0.00 H new HETATM 0 HMB1 HEM A 130 12.447 5.076 6.820 1.00 0.00 H new HETATM 0 HMB2 HEM A 130 12.078 4.217 8.335 1.00 0.00 H new HETATM 0 HMB3 HEM A 130 11.250 5.746 7.955 1.00 0.00 H new HETATM 0 HMC1 HEM A 130 5.232 -1.450 6.490 1.00 0.00 H new HETATM 0 HMC2 HEM A 130 6.342 -0.416 7.421 1.00 0.00 H new HETATM 0 HMC3 HEM A 130 6.987 -1.739 6.421 1.00 0.00 H new HETATM 0 HMD1 HEM A 130 4.353 2.304 -1.653 1.00 0.00 H new HETATM 0 HMD2 HEM A 130 4.082 1.312 -0.201 1.00 0.00 H new HETATM 0 HMD3 HEM A 130 5.306 0.824 -1.397 1.00 0.00 H new HETATM 0 HBB1 HEM A 130 9.862 3.425 10.882 1.00 0.00 H new HETATM 0 HBB2 HEM A 130 10.006 4.734 9.530 1.00 0.00 H new HETATM 0 HBC1 HEM A 130 2.734 -2.049 4.174 1.00 0.00 H new HETATM 0 HBC2 HEM A 130 3.306 -0.622 5.270 1.00 0.00 H new HETATM 0 HBA1 HEM A 130 9.667 9.221 -0.365 1.00 0.00 H new HETATM 0 HBA2 HEM A 130 8.638 8.248 0.668 1.00 0.00 H new HETATM 0 HAA1 HEM A 130 10.590 6.626 -0.823 1.00 0.00 H new HETATM 0 HAA2 HEM A 130 11.362 7.842 0.176 1.00 0.00 H new HETATM 0 HBD1 HEM A 130 7.687 2.433 -2.738 1.00 0.00 H new HETATM 0 HBD2 HEM A 130 7.486 3.723 -3.906 1.00 0.00 H new HETATM 0 HAD1 HEM A 130 7.244 4.982 -2.008 1.00 0.00 H new HETATM 0 HAD2 HEM A 130 5.571 4.494 -2.193 1.00 0.00 H new HETATM 0 HHA HEM A 130 8.390 5.579 -0.534 1.00 0.00 H new HETATM 0 HHB HEM A 130 11.745 5.592 4.913 1.00 0.00 H new HETATM 0 HHC HEM A 130 7.644 1.361 7.422 1.00 0.00 H new HETATM 0 HHD HEM A 130 4.928 0.649 1.614 1.00 0.00 H new HETATM 0 HAB HEM A 130 9.576 1.557 9.003 1.00 0.00 H new HETATM 0 HAC HEM A 130 5.012 -1.867 2.803 1.00 0.00 H new HETATM 1112 CHA HEM A 154 -5.183 0.132 6.399 1.00 0.00 C HETATM 1113 CHB HEM A 154 -3.804 1.354 1.890 1.00 0.00 C HETATM 1114 CHC HEM A 154 -0.188 -1.901 2.113 1.00 0.00 C HETATM 1115 CHD HEM A 154 -1.696 -3.266 6.547 1.00 0.00 C HETATM 1116 C1A HEM A 154 -5.112 0.742 5.151 1.00 0.00 C HETATM 1117 C2A HEM A 154 -6.016 1.773 4.700 1.00 0.00 C HETATM 1118 C3A HEM A 154 -5.636 2.114 3.450 1.00 0.00 C HETATM 1119 C4A HEM A 154 -4.494 1.297 3.115 1.00 0.00 C HETATM 1120 CMA HEM A 154 -6.254 3.140 2.544 1.00 0.00 C HETATM 1121 CAA HEM A 154 -7.153 2.332 5.505 1.00 0.00 C HETATM 1122 CBA HEM A 154 -6.771 2.721 6.931 1.00 0.00 C HETATM 1123 CGA HEM A 154 -7.246 4.128 7.261 1.00 0.00 C HETATM 1124 O1A HEM A 154 -7.218 4.968 6.335 1.00 0.00 O HETATM 1125 O2A HEM A 154 -7.628 4.338 8.432 1.00 0.00 O HETATM 1126 C1B HEM A 154 -2.696 0.576 1.573 1.00 0.00 C HETATM 1127 C2B HEM A 154 -1.974 0.662 0.325 1.00 0.00 C HETATM 1128 C3B HEM A 154 -0.971 -0.239 0.384 1.00 0.00 C HETATM 1129 C4B HEM A 154 -1.061 -0.892 1.668 1.00 0.00 C HETATM 1130 CMB HEM A 154 -2.313 1.596 -0.800 1.00 0.00 C HETATM 1131 CAB HEM A 154 0.064 -0.539 -0.661 1.00 0.00 C HETATM 1132 CBB HEM A 154 0.832 0.688 -1.144 1.00 0.00 C HETATM 1133 C1C HEM A 154 -0.308 -2.573 3.336 1.00 0.00 C HETATM 1134 C2C HEM A 154 0.523 -3.681 3.743 1.00 0.00 C HETATM 1135 C3C HEM A 154 0.106 -4.061 4.970 1.00 0.00 C HETATM 1136 C4C HEM A 154 -0.988 -3.191 5.334 1.00 0.00 C HETATM 1137 CMC HEM A 154 1.633 -4.270 2.922 1.00 0.00 C HETATM 1138 CAC HEM A 154 0.644 -5.169 5.827 1.00 0.00 C HETATM 1139 CBC HEM A 154 2.105 -5.514 5.550 1.00 0.00 C HETATM 1140 C1D HEM A 154 -2.771 -2.450 6.884 1.00 0.00 C HETATM 1141 C2D HEM A 154 -3.487 -2.527 8.136 1.00 0.00 C HETATM 1142 C3D HEM A 154 -4.455 -1.587 8.098 1.00 0.00 C HETATM 1143 C4D HEM A 154 -4.347 -0.918 6.823 1.00 0.00 C HETATM 1144 CMD HEM A 154 -3.178 -3.491 9.244 1.00 0.00 C HETATM 1145 CAD HEM A 154 -5.470 -1.262 9.155 1.00 0.00 C HETATM 1146 CBD HEM A 154 -5.067 -0.109 10.069 1.00 0.00 C HETATM 1147 CGD HEM A 154 -3.936 -0.518 11.001 1.00 0.00 C HETATM 1148 O1D HEM A 154 -4.105 -0.314 12.223 1.00 0.00 O HETATM 1149 O2D HEM A 154 -2.923 -1.027 10.475 1.00 0.00 O HETATM 1150 NA HEM A 154 -4.180 0.456 4.169 1.00 0.00 N HETATM 1151 NB HEM A 154 -2.126 -0.384 2.392 1.00 0.00 N HETATM 1152 NC HEM A 154 -1.234 -2.279 4.322 1.00 0.00 N HETATM 1153 ND HEM A 154 -3.308 -1.457 6.084 1.00 0.00 N HETATM 1154 FE HEM A 154 -2.649 -0.978 4.321 1.00 0.00 FE HETATM 0 HMA1 HEM A 154 -7.320 3.220 2.758 1.00 0.00 H new HETATM 0 HMA2 HEM A 154 -6.114 2.840 1.506 1.00 0.00 H new HETATM 0 HMA3 HEM A 154 -5.777 4.106 2.710 1.00 0.00 H new HETATM 0 HMB1 HEM A 154 -1.404 1.858 -1.342 1.00 0.00 H new HETATM 0 HMB2 HEM A 154 -2.769 2.501 -0.397 1.00 0.00 H new HETATM 0 HMB3 HEM A 154 -3.013 1.109 -1.479 1.00 0.00 H new HETATM 0 HMC1 HEM A 154 1.404 -4.151 1.863 1.00 0.00 H new HETATM 0 HMC2 HEM A 154 1.735 -5.330 3.155 1.00 0.00 H new HETATM 0 HMC3 HEM A 154 2.567 -3.757 3.151 1.00 0.00 H new HETATM 0 HMD1 HEM A 154 -2.762 -4.407 8.824 1.00 0.00 H new HETATM 0 HMD2 HEM A 154 -4.093 -3.725 9.788 1.00 0.00 H new HETATM 0 HMD3 HEM A 154 -2.455 -3.043 9.925 1.00 0.00 H new HETATM 0 HBB1 HEM A 154 1.607 0.582 -1.903 1.00 0.00 H new HETATM 0 HBB2 HEM A 154 0.605 1.671 -0.730 1.00 0.00 H new HETATM 0 HBC1 HEM A 154 2.595 -6.305 6.117 1.00 0.00 H new HETATM 0 HBC2 HEM A 154 2.658 -4.969 4.785 1.00 0.00 H new HETATM 0 HBA1 HEM A 154 -5.689 2.662 7.050 1.00 0.00 H new HETATM 0 HBA2 HEM A 154 -7.208 2.012 7.634 1.00 0.00 H new HETATM 0 HAA1 HEM A 154 -7.955 1.595 5.543 1.00 0.00 H new HETATM 0 HAA2 HEM A 154 -7.550 3.209 4.994 1.00 0.00 H new HETATM 0 HBD1 HEM A 154 -5.928 0.212 10.656 1.00 0.00 H new HETATM 0 HBD2 HEM A 154 -4.755 0.745 9.467 1.00 0.00 H new HETATM 0 HAD1 HEM A 154 -5.644 -2.150 9.763 1.00 0.00 H new HETATM 0 HAD2 HEM A 154 -6.416 -1.016 8.672 1.00 0.00 H new HETATM 0 HHA HEM A 154 -5.932 0.489 7.091 1.00 0.00 H new HETATM 0 HHB HEM A 154 -4.160 2.050 1.145 1.00 0.00 H new HETATM 0 HHC HEM A 154 0.632 -2.177 1.467 1.00 0.00 H new HETATM 0 HHD HEM A 154 -1.383 -4.008 7.266 1.00 0.00 H new HETATM 0 HAB HEM A 154 0.250 -1.544 -1.041 1.00 0.00 H new HETATM 0 HAC HEM A 154 0.045 -5.682 6.580 1.00 0.00 H new HETATM 1155 CHA HEM A 168 -3.897 -0.357 -9.907 1.00 0.00 C HETATM 1156 CHB HEM A 168 -8.311 -2.339 -10.458 1.00 0.00 C HETATM 1157 CHC HEM A 168 -8.814 -2.687 -5.626 1.00 0.00 C HETATM 1158 CHD HEM A 168 -4.485 -0.352 -5.072 1.00 0.00 C HETATM 1159 C1A HEM A 168 -5.056 -0.883 -10.467 1.00 0.00 C HETATM 1160 C2A HEM A 168 -5.288 -1.006 -11.887 1.00 0.00 C HETATM 1161 C3A HEM A 168 -6.511 -1.556 -12.043 1.00 0.00 C HETATM 1162 C4A HEM A 168 -7.049 -1.778 -10.721 1.00 0.00 C HETATM 1163 CMA HEM A 168 -7.217 -1.889 -13.325 1.00 0.00 C HETATM 1164 CAA HEM A 168 -4.320 -0.588 -12.955 1.00 0.00 C HETATM 1165 CBA HEM A 168 -4.073 0.917 -13.014 1.00 0.00 C HETATM 1166 CGA HEM A 168 -2.712 1.225 -13.621 1.00 0.00 C HETATM 1167 O1A HEM A 168 -2.365 0.546 -14.611 1.00 0.00 O HETATM 1168 O2A HEM A 168 -2.044 2.135 -13.083 1.00 0.00 O HETATM 1169 C1B HEM A 168 -8.773 -2.683 -9.191 1.00 0.00 C HETATM 1170 C2B HEM A 168 -9.902 -3.549 -8.947 1.00 0.00 C HETATM 1171 C3B HEM A 168 -10.044 -3.647 -7.608 1.00 0.00 C HETATM 1172 C4B HEM A 168 -9.004 -2.844 -7.011 1.00 0.00 C HETATM 1173 CMB HEM A 168 -10.735 -4.197 -10.015 1.00 0.00 C HETATM 1174 CAB HEM A 168 -11.071 -4.430 -6.843 1.00 0.00 C HETATM 1175 CBB HEM A 168 -11.120 -5.912 -7.207 1.00 0.00 C HETATM 1176 C1C HEM A 168 -7.569 -2.144 -5.027 1.00 0.00 C HETATM 1177 C2C HEM A 168 -7.437 -1.821 -3.626 1.00 0.00 C HETATM 1178 C3C HEM A 168 -6.289 -1.126 -3.485 1.00 0.00 C HETATM 1179 C4C HEM A 168 -5.698 -1.012 -4.798 1.00 0.00 C HETATM 1180 CMC HEM A 168 -8.420 -2.207 -2.560 1.00 0.00 C HETATM 1181 CAC HEM A 168 -5.699 -0.560 -2.226 1.00 0.00 C HETATM 1182 CBC HEM A 168 -5.701 -1.532 -1.049 1.00 0.00 C HETATM 1183 C1D HEM A 168 -3.973 -0.143 -6.348 1.00 0.00 C HETATM 1184 C2D HEM A 168 -2.743 0.562 -6.623 1.00 0.00 C HETATM 1185 C3D HEM A 168 -2.577 0.563 -7.963 1.00 0.00 C HETATM 1186 C4D HEM A 168 -3.702 -0.142 -8.530 1.00 0.00 C HETATM 1187 CMD HEM A 168 -1.848 1.166 -5.580 1.00 0.00 C HETATM 1188 CAD HEM A 168 -1.454 1.167 -8.754 1.00 0.00 C HETATM 1189 CBD HEM A 168 -1.320 2.678 -8.587 1.00 0.00 C HETATM 1190 CGD HEM A 168 0.140 3.086 -8.449 1.00 0.00 C HETATM 1191 O1D HEM A 168 0.556 3.977 -9.222 1.00 0.00 O HETATM 1192 O2D HEM A 168 0.813 2.501 -7.573 1.00 0.00 O HETATM 1193 NA HEM A 168 -6.145 -1.361 -9.759 1.00 0.00 N HETATM 1194 NB HEM A 168 -8.228 -2.255 -7.994 1.00 0.00 N HETATM 1195 NC HEM A 168 -6.493 -1.641 -5.739 1.00 0.00 N HETATM 1196 ND HEM A 168 -4.555 -0.572 -7.528 1.00 0.00 N HETATM 1197 FE HEM A 168 -6.406 -1.540 -7.644 1.00 0.00 FE HETATM 0 HMA1 HEM A 168 -7.875 -2.743 -13.167 1.00 0.00 H new HETATM 0 HMA2 HEM A 168 -6.482 -2.134 -14.092 1.00 0.00 H new HETATM 0 HMA3 HEM A 168 -7.807 -1.032 -13.649 1.00 0.00 H new HETATM 0 HMB1 HEM A 168 -10.746 -3.564 -10.902 1.00 0.00 H new HETATM 0 HMB2 HEM A 168 -11.754 -4.329 -9.651 1.00 0.00 H new HETATM 0 HMB3 HEM A 168 -10.311 -5.169 -10.268 1.00 0.00 H new HETATM 0 HMC1 HEM A 168 -7.897 -2.337 -1.613 1.00 0.00 H new HETATM 0 HMC2 HEM A 168 -8.908 -3.142 -2.836 1.00 0.00 H new HETATM 0 HMC3 HEM A 168 -9.170 -1.423 -2.456 1.00 0.00 H new HETATM 0 HMD1 HEM A 168 -0.817 1.151 -5.932 1.00 0.00 H new HETATM 0 HMD2 HEM A 168 -1.925 0.591 -4.657 1.00 0.00 H new HETATM 0 HMD3 HEM A 168 -2.152 2.196 -5.392 1.00 0.00 H new HETATM 0 HBB1 HEM A 168 -11.831 -6.572 -6.710 1.00 0.00 H new HETATM 0 HBB2 HEM A 168 -10.444 -6.310 -7.964 1.00 0.00 H new HETATM 0 HBC1 HEM A 168 -5.295 -1.222 -0.086 1.00 0.00 H new HETATM 0 HBC2 HEM A 168 -6.108 -2.536 -1.172 1.00 0.00 H new HETATM 0 HBA1 HEM A 168 -4.131 1.338 -12.010 1.00 0.00 H new HETATM 0 HBA2 HEM A 168 -4.855 1.394 -13.605 1.00 0.00 H new HETATM 0 HAA1 HEM A 168 -4.695 -0.923 -13.922 1.00 0.00 H new HETATM 0 HAA2 HEM A 168 -3.370 -1.096 -12.789 1.00 0.00 H new HETATM 0 HBD1 HEM A 168 -1.876 3.001 -7.707 1.00 0.00 H new HETATM 0 HBD2 HEM A 168 -1.762 3.183 -9.446 1.00 0.00 H new HETATM 0 HAD1 HEM A 168 -1.604 0.940 -9.810 1.00 0.00 H new HETATM 0 HAD2 HEM A 168 -0.518 0.694 -8.456 1.00 0.00 H new HETATM 0 HHA HEM A 168 -3.090 -0.095 -10.575 1.00 0.00 H new HETATM 0 HHB HEM A 168 -8.967 -2.515 -11.297 1.00 0.00 H new HETATM 0 HHC HEM A 168 -9.616 -2.977 -4.964 1.00 0.00 H new HETATM 0 HHD HEM A 168 -3.913 0.017 -4.234 1.00 0.00 H new HETATM 0 HAB HEM A 168 -11.724 -3.981 -6.094 1.00 0.00 H new HETATM 0 HAC HEM A 168 -5.305 0.454 -2.158 1.00 0.00 H new