USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 534 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 17 HIS HE2 : A 17 HIS NE2 : A 101 HEMFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 102 HEMFE :(H bumps) USER MOD NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 101 HEMFE :(H bumps) USER MOD NoAdj-H: A 47 HIS HE2 : A 47 HIS NE2 : A 103 HEMFE :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 102 HEMFE :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 103 HEMFE :(H bumps) USER MOD Set 1.1: A 10 ASN : amide:sc= -3.2 K(o=-3.7,f=-12!) USER MOD Set 1.2: A 103 HEM CMA :methyl 150:sc= -0.448 (180deg=-0.0624) USER MOD Single : A 1 ALA N :NH3+ -109:sc= 0.175 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -8.35! C(o=-8.3!,f=-15!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 151:sc= -0.0275 (180deg=-0.765) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 154:sc= -0.681 (180deg=-1.94!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HEM CMA :methyl -30:sc= -0.05 (180deg=-0.129) USER MOD Single : A 101 HEM CMB :methyl -30:sc= -1.61 (180deg=-4.67!) USER MOD Single : A 101 HEM CMC :methyl -30:sc= -5.26! (180deg=-7.51!) USER MOD Single : A 101 HEM CMD :methyl 150:sc= -0.952 (180deg=-0.952) USER MOD Single : A 102 HEM CMA :methyl 150:sc= -0.459 (180deg=-0.459) USER MOD Single : A 102 HEM CMB :methyl 150:sc= -6.98! (180deg=-6.98!) USER MOD Single : A 102 HEM CMC :methyl -30:sc= -11.2! (180deg=-11.3!) USER MOD Single : A 102 HEM CMD :methyl 150:sc= -0.07 (180deg=-0.07) USER MOD Single : A 103 HEM CMB :methyl -30:sc= -0.285 (180deg=-1.84) USER MOD Single : A 103 HEM CMC :methyl -30:sc= -3.93! (180deg=-5.99!) USER MOD Single : A 103 HEM CMD :methyl 150:sc= -1.38 (180deg=-1.38) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.854 10.533 -1.491 1.00 1.00 N ATOM 2 CA ALA A 1 -11.047 10.567 -2.698 1.00 1.00 C ATOM 3 C ALA A 1 -10.273 9.253 -2.826 1.00 1.00 C ATOM 4 O ALA A 1 -10.323 8.409 -1.933 1.00 1.00 O ATOM 5 CB ALA A 1 -10.124 11.786 -2.661 1.00 1.00 C ATOM 0 H1 ALA A 1 -12.859 10.451 -1.747 1.00 1.00 H new ATOM 0 H2 ALA A 1 -11.577 9.716 -0.911 1.00 1.00 H new ATOM 0 H3 ALA A 1 -11.706 11.408 -0.949 1.00 1.00 H new ATOM 0 HA ALA A 1 -11.680 10.664 -3.580 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -9.518 11.811 -3.567 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -10.723 12.694 -2.600 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -9.472 11.722 -1.790 1.00 1.00 H new ATOM 11 N ASP A 2 -9.576 9.121 -3.945 1.00 1.00 N ATOM 12 CA ASP A 2 -8.792 7.924 -4.202 1.00 1.00 C ATOM 13 C ASP A 2 -8.103 7.484 -2.908 1.00 1.00 C ATOM 14 O ASP A 2 -8.120 6.304 -2.563 1.00 1.00 O ATOM 15 CB ASP A 2 -7.709 8.189 -5.248 1.00 1.00 C ATOM 16 CG ASP A 2 -7.960 7.550 -6.615 1.00 1.00 C ATOM 17 OD1 ASP A 2 -7.897 6.321 -6.767 1.00 1.00 O ATOM 18 OD2 ASP A 2 -8.233 8.381 -7.564 1.00 1.00 O ATOM 0 H ASP A 2 -9.538 9.823 -4.684 1.00 1.00 H new ATOM 0 HA ASP A 2 -9.467 7.151 -4.570 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -7.609 9.266 -5.380 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -6.756 7.825 -4.863 1.00 1.00 H new ATOM 24 N ASP A 3 -7.514 8.457 -2.229 1.00 1.00 N ATOM 25 CA ASP A 3 -6.820 8.184 -0.982 1.00 1.00 C ATOM 26 C ASP A 3 -7.592 7.122 -0.196 1.00 1.00 C ATOM 27 O ASP A 3 -8.715 7.364 0.244 1.00 1.00 O ATOM 28 CB ASP A 3 -6.731 9.442 -0.115 1.00 1.00 C ATOM 29 CG ASP A 3 -7.140 10.740 -0.814 1.00 1.00 C ATOM 30 OD1 ASP A 3 -8.329 11.087 -0.873 1.00 1.00 O ATOM 31 OD2 ASP A 3 -6.166 11.416 -1.321 1.00 1.00 O ATOM 0 H ASP A 3 -7.503 9.435 -2.518 1.00 1.00 H new ATOM 0 HA ASP A 3 -5.814 7.840 -1.224 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -7.363 9.305 0.763 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -5.707 9.547 0.242 1.00 1.00 H new ATOM 37 N ILE A 4 -6.958 5.969 -0.043 1.00 1.00 N ATOM 38 CA ILE A 4 -7.571 4.869 0.682 1.00 1.00 C ATOM 39 C ILE A 4 -6.900 4.729 2.050 1.00 1.00 C ATOM 40 O ILE A 4 -5.961 3.951 2.209 1.00 1.00 O ATOM 41 CB ILE A 4 -7.533 3.588 -0.154 1.00 1.00 C ATOM 42 CG1 ILE A 4 -8.741 3.509 -1.091 1.00 1.00 C ATOM 43 CG2 ILE A 4 -7.419 2.352 0.740 1.00 1.00 C ATOM 44 CD1 ILE A 4 -8.654 2.278 -1.995 1.00 1.00 C ATOM 0 H ILE A 4 -6.026 5.773 -0.409 1.00 1.00 H new ATOM 0 HA ILE A 4 -8.626 5.074 0.862 1.00 1.00 H new ATOM 0 HB ILE A 4 -6.641 3.615 -0.780 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -9.659 3.470 -0.504 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -8.792 4.410 -1.702 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -7.394 1.456 0.120 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -6.504 2.412 1.329 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -8.278 2.306 1.409 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -9.524 2.246 -2.651 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -7.747 2.333 -2.598 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -8.628 1.377 -1.382 1.00 1.00 H new ATOM 56 N VAL A 5 -7.409 5.496 3.004 1.00 1.00 N ATOM 57 CA VAL A 5 -6.872 5.468 4.353 1.00 1.00 C ATOM 58 C VAL A 5 -7.160 4.104 4.985 1.00 1.00 C ATOM 59 O VAL A 5 -8.306 3.657 5.008 1.00 1.00 O ATOM 60 CB VAL A 5 -7.436 6.634 5.166 1.00 1.00 C ATOM 61 CG1 VAL A 5 -6.767 6.720 6.540 1.00 1.00 C ATOM 62 CG2 VAL A 5 -7.294 7.953 4.404 1.00 1.00 C ATOM 0 H VAL A 5 -8.188 6.141 2.868 1.00 1.00 H new ATOM 0 HA VAL A 5 -5.790 5.596 4.335 1.00 1.00 H new ATOM 0 HB VAL A 5 -8.499 6.450 5.322 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -7.187 7.558 7.097 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -6.943 5.795 7.089 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -5.695 6.869 6.414 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -7.703 8.766 5.004 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -6.240 8.145 4.202 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -7.838 7.889 3.462 1.00 1.00 H new ATOM 72 N LEU A 6 -6.102 3.481 5.481 1.00 1.00 N ATOM 73 CA LEU A 6 -6.227 2.178 6.110 1.00 1.00 C ATOM 74 C LEU A 6 -6.377 2.359 7.622 1.00 1.00 C ATOM 75 O LEU A 6 -5.944 3.368 8.176 1.00 1.00 O ATOM 76 CB LEU A 6 -5.058 1.275 5.712 1.00 1.00 C ATOM 77 CG LEU A 6 -4.989 0.879 4.236 1.00 1.00 C ATOM 78 CD1 LEU A 6 -3.606 0.330 3.879 1.00 1.00 C ATOM 79 CD2 LEU A 6 -6.105 -0.105 3.879 1.00 1.00 C ATOM 0 H LEU A 6 -5.153 3.855 5.460 1.00 1.00 H new ATOM 0 HA LEU A 6 -7.125 1.670 5.758 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -4.129 1.780 5.976 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -5.108 0.365 6.310 1.00 1.00 H new ATOM 0 HG LEU A 6 -5.145 1.775 3.635 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -3.584 0.056 2.824 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -2.851 1.092 4.072 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -3.396 -0.550 4.487 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.033 -0.370 2.824 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -6.005 -1.004 4.487 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.073 0.357 4.071 1.00 1.00 H new ATOM 91 N LYS A 7 -6.991 1.365 8.247 1.00 1.00 N ATOM 92 CA LYS A 7 -7.204 1.402 9.684 1.00 1.00 C ATOM 93 C LYS A 7 -5.927 0.950 10.396 1.00 1.00 C ATOM 94 O LYS A 7 -5.476 -0.179 10.212 1.00 1.00 O ATOM 95 CB LYS A 7 -8.441 0.586 10.064 1.00 1.00 C ATOM 96 CG LYS A 7 -9.656 1.016 9.240 1.00 1.00 C ATOM 97 CD LYS A 7 -10.877 1.235 10.135 1.00 1.00 C ATOM 98 CE LYS A 7 -11.079 2.722 10.433 1.00 1.00 C ATOM 99 NZ LYS A 7 -11.955 2.901 11.612 1.00 1.00 N ATOM 0 H LYS A 7 -7.348 0.529 7.784 1.00 1.00 H new ATOM 0 HA LYS A 7 -7.410 2.421 10.012 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -8.245 -0.474 9.903 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -8.653 0.714 11.125 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -9.427 1.935 8.700 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -9.881 0.255 8.493 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -11.766 0.834 9.648 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -10.751 0.687 11.069 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -10.115 3.197 10.614 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -11.520 3.216 9.567 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -12.081 3.916 11.800 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -12.881 2.466 11.426 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -11.519 2.447 12.440 1.00 1.00 H new ATOM 112 N ALA A 8 -5.380 1.856 11.193 1.00 1.00 N ATOM 113 CA ALA A 8 -4.164 1.564 11.933 1.00 1.00 C ATOM 114 C ALA A 8 -4.022 2.561 13.085 1.00 1.00 C ATOM 115 O ALA A 8 -3.778 3.746 12.859 1.00 1.00 O ATOM 116 CB ALA A 8 -2.966 1.599 10.981 1.00 1.00 C ATOM 0 H ALA A 8 -5.756 2.792 11.343 1.00 1.00 H new ATOM 0 HA ALA A 8 -4.208 0.564 12.365 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -2.054 1.380 11.536 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -3.102 0.853 10.198 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -2.888 2.589 10.531 1.00 1.00 H new ATOM 122 N LYS A 9 -4.180 2.045 14.295 1.00 1.00 N ATOM 123 CA LYS A 9 -4.072 2.875 15.483 1.00 1.00 C ATOM 124 C LYS A 9 -2.621 3.329 15.653 1.00 1.00 C ATOM 125 O LYS A 9 -2.330 4.196 16.475 1.00 1.00 O ATOM 126 CB LYS A 9 -4.634 2.142 16.702 1.00 1.00 C ATOM 127 CG LYS A 9 -6.069 2.585 16.994 1.00 1.00 C ATOM 128 CD LYS A 9 -6.626 1.863 18.223 1.00 1.00 C ATOM 129 CE LYS A 9 -6.956 2.856 19.339 1.00 1.00 C ATOM 130 NZ LYS A 9 -5.747 3.161 20.137 1.00 1.00 N ATOM 0 H LYS A 9 -4.382 1.062 14.478 1.00 1.00 H new ATOM 0 HA LYS A 9 -4.677 3.775 15.375 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -4.610 1.066 16.527 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -4.005 2.338 17.571 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -6.095 3.662 17.158 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -6.700 2.379 16.130 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -7.523 1.308 17.948 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -5.899 1.135 18.582 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -7.357 3.774 18.910 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -7.730 2.442 19.985 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -5.989 3.836 20.890 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -5.382 2.285 20.562 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -5.020 3.576 19.520 1.00 1.00 H new ATOM 143 N ASN A 10 -1.748 2.721 14.863 1.00 1.00 N ATOM 144 CA ASN A 10 -0.334 3.051 14.916 1.00 1.00 C ATOM 145 C ASN A 10 -0.060 4.252 14.008 1.00 1.00 C ATOM 146 O ASN A 10 1.073 4.721 13.917 1.00 1.00 O ATOM 147 CB ASN A 10 0.523 1.883 14.425 1.00 1.00 C ATOM 148 CG ASN A 10 0.467 0.711 15.407 1.00 1.00 C ATOM 149 OD1 ASN A 10 -0.441 -0.104 15.390 1.00 1.00 O ATOM 150 ND2 ASN A 10 1.485 0.672 16.262 1.00 1.00 N ATOM 0 H ASN A 10 -1.993 2.002 14.183 1.00 1.00 H new ATOM 0 HA ASN A 10 -0.079 3.275 15.952 1.00 1.00 H new ATOM 0 HB2 ASN A 10 0.174 1.558 13.445 1.00 1.00 H new ATOM 0 HB3 ASN A 10 1.555 2.211 14.303 1.00 1.00 H new ATOM 0 HD21 ASN A 10 1.538 -0.072 16.958 1.00 1.00 H new ATOM 0 HD22 ASN A 10 2.212 1.386 16.222 1.00 1.00 H new ATOM 157 N GLY A 11 -1.118 4.715 13.358 1.00 1.00 N ATOM 158 CA GLY A 11 -1.007 5.852 12.460 1.00 1.00 C ATOM 159 C GLY A 11 -1.484 5.488 11.053 1.00 1.00 C ATOM 160 O GLY A 11 -0.847 4.692 10.364 1.00 1.00 O ATOM 0 H GLY A 11 -2.056 4.323 13.436 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -1.598 6.683 12.845 1.00 1.00 H new ATOM 0 HA3 GLY A 11 0.029 6.189 12.421 1.00 1.00 H new ATOM 164 N ASP A 12 -2.600 6.089 10.667 1.00 1.00 N ATOM 165 CA ASP A 12 -3.170 5.838 9.354 1.00 1.00 C ATOM 166 C ASP A 12 -2.046 5.786 8.317 1.00 1.00 C ATOM 167 O ASP A 12 -1.020 6.447 8.474 1.00 1.00 O ATOM 168 CB ASP A 12 -4.135 6.954 8.950 1.00 1.00 C ATOM 169 CG ASP A 12 -5.618 6.610 9.095 1.00 1.00 C ATOM 170 OD1 ASP A 12 -5.985 5.450 9.331 1.00 1.00 O ATOM 171 OD2 ASP A 12 -6.425 7.607 8.955 1.00 1.00 O ATOM 0 H ASP A 12 -3.125 6.749 11.241 1.00 1.00 H new ATOM 0 HA ASP A 12 -3.710 4.892 9.396 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -3.921 7.835 9.555 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -3.940 7.224 7.912 1.00 1.00 H new ATOM 177 N VAL A 13 -2.277 4.994 7.280 1.00 1.00 N ATOM 178 CA VAL A 13 -1.298 4.848 6.217 1.00 1.00 C ATOM 179 C VAL A 13 -1.912 5.312 4.895 1.00 1.00 C ATOM 180 O VAL A 13 -2.370 4.494 4.099 1.00 1.00 O ATOM 181 CB VAL A 13 -0.792 3.405 6.167 1.00 1.00 C ATOM 182 CG1 VAL A 13 0.299 3.242 5.107 1.00 1.00 C ATOM 183 CG2 VAL A 13 -0.294 2.950 7.541 1.00 1.00 C ATOM 0 H VAL A 13 -3.128 4.447 7.154 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.429 5.477 6.410 1.00 1.00 H new ATOM 0 HB VAL A 13 -1.630 2.767 5.886 1.00 1.00 H new ATOM 0 HG11 VAL A 13 0.641 2.207 5.093 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.102 3.505 4.128 1.00 1.00 H new ATOM 0 HG13 VAL A 13 1.137 3.898 5.344 1.00 1.00 H new ATOM 0 HG21 VAL A 13 0.060 1.921 7.477 1.00 1.00 H new ATOM 0 HG22 VAL A 13 0.523 3.595 7.864 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -1.110 3.009 8.262 1.00 1.00 H new ATOM 193 N LYS A 14 -1.902 6.622 4.702 1.00 1.00 N ATOM 194 CA LYS A 14 -2.453 7.205 3.491 1.00 1.00 C ATOM 195 C LYS A 14 -1.775 6.574 2.273 1.00 1.00 C ATOM 196 O LYS A 14 -0.579 6.763 2.056 1.00 1.00 O ATOM 197 CB LYS A 14 -2.345 8.731 3.533 1.00 1.00 C ATOM 198 CG LYS A 14 -2.609 9.337 2.153 1.00 1.00 C ATOM 199 CD LYS A 14 -1.554 10.389 1.806 1.00 1.00 C ATOM 200 CE LYS A 14 -1.577 10.716 0.311 1.00 1.00 C ATOM 201 NZ LYS A 14 -0.329 11.404 -0.088 1.00 1.00 N ATOM 0 H LYS A 14 -1.521 7.297 5.365 1.00 1.00 H new ATOM 0 HA LYS A 14 -3.518 6.986 3.413 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -3.060 9.130 4.252 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -1.352 9.020 3.877 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -2.605 8.550 1.399 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -3.600 9.791 2.134 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -1.736 11.296 2.383 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -0.566 10.025 2.087 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -1.694 9.799 -0.266 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -2.436 11.347 0.084 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -0.361 11.619 -1.105 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -0.233 12.289 0.450 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 0.485 10.788 0.110 1.00 1.00 H new ATOM 214 N LEU A 15 -2.568 5.837 1.509 1.00 1.00 N ATOM 215 CA LEU A 15 -2.059 5.177 0.319 1.00 1.00 C ATOM 216 C LEU A 15 -2.591 5.895 -0.923 1.00 1.00 C ATOM 217 O LEU A 15 -3.752 5.765 -1.305 1.00 1.00 O ATOM 218 CB LEU A 15 -2.386 3.683 0.354 1.00 1.00 C ATOM 219 CG LEU A 15 -2.378 2.963 -0.996 1.00 1.00 C ATOM 220 CD1 LEU A 15 -0.984 2.423 -1.321 1.00 1.00 C ATOM 221 CD2 LEU A 15 -3.443 1.865 -1.039 1.00 1.00 C ATOM 0 H LEU A 15 -3.560 5.682 1.691 1.00 1.00 H new ATOM 0 HA LEU A 15 -0.971 5.240 0.283 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -1.669 3.190 1.011 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -3.370 3.557 0.805 1.00 1.00 H new ATOM 0 HG LEU A 15 -2.631 3.687 -1.770 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -1.006 1.916 -2.286 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -0.274 3.249 -1.362 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -0.677 1.719 -0.548 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -3.416 1.369 -2.009 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -3.246 1.136 -0.253 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -4.427 2.307 -0.885 1.00 1.00 H new ATOM 233 N PRO A 16 -1.702 6.666 -1.554 1.00 1.00 N ATOM 234 CA PRO A 16 -1.988 7.432 -2.748 1.00 1.00 C ATOM 235 C PRO A 16 -2.450 6.497 -3.856 1.00 1.00 C ATOM 236 O PRO A 16 -1.757 6.386 -4.867 1.00 1.00 O ATOM 237 CB PRO A 16 -0.664 8.100 -3.111 1.00 1.00 C ATOM 238 CG PRO A 16 0.160 8.075 -1.888 1.00 1.00 C ATOM 239 CD PRO A 16 -0.329 6.841 -1.133 1.00 1.00 C ATOM 0 HA PRO A 16 -2.780 8.167 -2.601 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -0.170 7.568 -3.924 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -0.825 9.123 -3.451 1.00 1.00 H new ATOM 0 HG2 PRO A 16 1.222 8.003 -2.124 1.00 1.00 H new ATOM 0 HG3 PRO A 16 0.026 8.982 -1.298 1.00 1.00 H new ATOM 0 HD2 PRO A 16 0.273 5.965 -1.375 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -0.262 6.985 -0.055 1.00 1.00 H new ATOM 247 N HIS A 17 -3.589 5.851 -3.653 1.00 1.00 N ATOM 248 CA HIS A 17 -4.117 4.933 -4.648 1.00 1.00 C ATOM 249 C HIS A 17 -3.937 5.531 -6.044 1.00 1.00 C ATOM 250 O HIS A 17 -3.354 4.899 -6.924 1.00 1.00 O ATOM 251 CB HIS A 17 -5.572 4.575 -4.339 1.00 1.00 C ATOM 252 CG HIS A 17 -6.092 3.391 -5.118 1.00 1.00 C ATOM 253 ND1 HIS A 17 -7.035 3.511 -6.124 1.00 1.00 N ATOM 254 CD2 HIS A 17 -5.791 2.064 -5.030 1.00 1.00 C ATOM 255 CE1 HIS A 17 -7.283 2.305 -6.611 1.00 1.00 C ATOM 256 NE2 HIS A 17 -6.511 1.409 -5.931 1.00 1.00 N ATOM 0 H HIS A 17 -4.161 5.945 -2.814 1.00 1.00 H new ATOM 0 HA HIS A 17 -3.559 3.997 -4.617 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -5.665 4.365 -3.273 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -6.201 5.440 -4.550 1.00 1.00 H new ATOM 0 HD1 HIS A 17 -7.466 4.381 -6.437 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -5.085 1.621 -4.343 1.00 1.00 H new ATOM 0 HE1 HIS A 17 -7.975 2.072 -7.407 1.00 1.00 H new ATOM 264 N LYS A 18 -4.448 6.743 -6.204 1.00 1.00 N ATOM 265 CA LYS A 18 -4.351 7.434 -7.479 1.00 1.00 C ATOM 266 C LYS A 18 -2.901 7.400 -7.964 1.00 1.00 C ATOM 267 O LYS A 18 -2.601 6.805 -8.998 1.00 1.00 O ATOM 268 CB LYS A 18 -4.930 8.846 -7.369 1.00 1.00 C ATOM 269 CG LYS A 18 -4.810 9.593 -8.698 1.00 1.00 C ATOM 270 CD LYS A 18 -4.765 11.106 -8.475 1.00 1.00 C ATOM 271 CE LYS A 18 -6.056 11.770 -8.957 1.00 1.00 C ATOM 272 NZ LYS A 18 -6.863 12.232 -7.806 1.00 1.00 N ATOM 0 H LYS A 18 -4.930 7.264 -5.472 1.00 1.00 H new ATOM 0 HA LYS A 18 -4.952 6.926 -8.234 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -5.977 8.791 -7.072 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -4.406 9.398 -6.589 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -3.908 9.272 -9.220 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -5.655 9.341 -9.338 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -4.617 11.317 -7.416 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -3.913 11.530 -9.007 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -5.818 12.614 -9.604 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -6.634 11.064 -9.554 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -7.736 12.680 -8.151 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -7.106 11.420 -7.204 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -6.315 12.921 -7.253 1.00 1.00 H new ATOM 285 N ALA A 19 -2.038 8.046 -7.193 1.00 1.00 N ATOM 286 CA ALA A 19 -0.625 8.098 -7.531 1.00 1.00 C ATOM 287 C ALA A 19 -0.121 6.681 -7.811 1.00 1.00 C ATOM 288 O ALA A 19 0.569 6.448 -8.803 1.00 1.00 O ATOM 289 CB ALA A 19 0.146 8.778 -6.398 1.00 1.00 C ATOM 0 H ALA A 19 -2.290 8.538 -6.336 1.00 1.00 H new ATOM 0 HA ALA A 19 -0.467 8.689 -8.433 1.00 1.00 H new ATOM 0 HB1 ALA A 19 1.205 8.817 -6.651 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -0.231 9.791 -6.258 1.00 1.00 H new ATOM 0 HB3 ALA A 19 0.014 8.211 -5.476 1.00 1.00 H new ATOM 295 N HIS A 20 -0.484 5.770 -6.920 1.00 1.00 N ATOM 296 CA HIS A 20 -0.076 4.383 -7.059 1.00 1.00 C ATOM 297 C HIS A 20 -0.689 3.793 -8.331 1.00 1.00 C ATOM 298 O HIS A 20 -0.159 2.836 -8.893 1.00 1.00 O ATOM 299 CB HIS A 20 -0.432 3.583 -5.804 1.00 1.00 C ATOM 300 CG HIS A 20 0.602 3.670 -4.707 1.00 1.00 C ATOM 301 ND1 HIS A 20 0.633 4.701 -3.785 1.00 1.00 N ATOM 302 CD2 HIS A 20 1.641 2.842 -4.394 1.00 1.00 C ATOM 303 CE1 HIS A 20 1.649 4.494 -2.960 1.00 1.00 C ATOM 304 NE2 HIS A 20 2.272 3.342 -3.339 1.00 1.00 N ATOM 0 H HIS A 20 -1.056 5.966 -6.099 1.00 1.00 H new ATOM 0 HA HIS A 20 1.008 4.328 -7.159 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -1.387 3.938 -5.418 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -0.568 2.537 -6.079 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -0.016 5.487 -3.747 1.00 1.00 H new ATOM 0 HD2 HIS A 20 1.905 1.934 -4.916 1.00 1.00 H new ATOM 0 HE1 HIS A 20 1.934 5.127 -2.132 1.00 1.00 H new ATOM 312 N GLN A 21 -1.796 4.389 -8.747 1.00 1.00 N ATOM 313 CA GLN A 21 -2.487 3.934 -9.942 1.00 1.00 C ATOM 314 C GLN A 21 -1.804 4.490 -11.193 1.00 1.00 C ATOM 315 O GLN A 21 -2.131 4.095 -12.311 1.00 1.00 O ATOM 316 CB GLN A 21 -3.965 4.327 -9.904 1.00 1.00 C ATOM 317 CG GLN A 21 -4.755 3.401 -8.977 1.00 1.00 C ATOM 318 CD GLN A 21 -6.114 4.008 -8.623 1.00 1.00 C ATOM 319 OE1 GLN A 21 -6.215 5.014 -7.940 1.00 1.00 O ATOM 320 NE2 GLN A 21 -7.151 3.343 -9.125 1.00 1.00 N ATOM 0 H GLN A 21 -2.232 5.183 -8.278 1.00 1.00 H new ATOM 0 HA GLN A 21 -2.435 2.846 -9.976 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -4.062 5.358 -9.563 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -4.383 4.283 -10.910 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -4.899 2.434 -9.460 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -4.185 3.220 -8.066 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -6.996 2.507 -9.689 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -8.101 3.669 -8.946 1.00 1.00 H new ATOM 329 N LYS A 22 -0.867 5.398 -10.963 1.00 1.00 N ATOM 330 CA LYS A 22 -0.135 6.013 -12.058 1.00 1.00 C ATOM 331 C LYS A 22 1.311 5.514 -12.042 1.00 1.00 C ATOM 332 O LYS A 22 1.899 5.269 -13.094 1.00 1.00 O ATOM 333 CB LYS A 22 -0.261 7.536 -11.998 1.00 1.00 C ATOM 334 CG LYS A 22 -0.290 8.139 -13.404 1.00 1.00 C ATOM 335 CD LYS A 22 -1.702 8.096 -13.991 1.00 1.00 C ATOM 336 CE LYS A 22 -1.780 7.114 -15.161 1.00 1.00 C ATOM 337 NZ LYS A 22 -2.919 6.185 -14.984 1.00 1.00 N ATOM 0 H LYS A 22 -0.598 5.723 -10.034 1.00 1.00 H new ATOM 0 HA LYS A 22 -0.564 5.719 -13.016 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -1.171 7.809 -11.463 1.00 1.00 H new ATOM 0 HB3 LYS A 22 0.576 7.952 -11.437 1.00 1.00 H new ATOM 0 HG2 LYS A 22 0.061 9.170 -13.368 1.00 1.00 H new ATOM 0 HG3 LYS A 22 0.394 7.591 -14.052 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -2.412 7.803 -13.218 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -1.990 9.092 -14.328 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -1.892 7.662 -16.096 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -0.850 6.549 -15.232 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -2.957 5.525 -15.787 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -2.796 5.649 -14.101 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -3.805 6.727 -14.939 1.00 1.00 H new ATOM 350 N ALA A 23 1.844 5.378 -10.836 1.00 1.00 N ATOM 351 CA ALA A 23 3.210 4.913 -10.669 1.00 1.00 C ATOM 352 C ALA A 23 3.288 3.430 -11.037 1.00 1.00 C ATOM 353 O ALA A 23 4.302 2.968 -11.556 1.00 1.00 O ATOM 354 CB ALA A 23 3.670 5.183 -9.235 1.00 1.00 C ATOM 0 H ALA A 23 1.354 5.582 -9.965 1.00 1.00 H new ATOM 0 HA ALA A 23 3.883 5.454 -11.334 1.00 1.00 H new ATOM 0 HB1 ALA A 23 4.695 4.834 -9.110 1.00 1.00 H new ATOM 0 HB2 ALA A 23 3.624 6.253 -9.034 1.00 1.00 H new ATOM 0 HB3 ALA A 23 3.019 4.654 -8.539 1.00 1.00 H new ATOM 360 N VAL A 24 2.203 2.725 -10.752 1.00 1.00 N ATOM 361 CA VAL A 24 2.135 1.304 -11.046 1.00 1.00 C ATOM 362 C VAL A 24 1.135 1.069 -12.180 1.00 1.00 C ATOM 363 O VAL A 24 -0.065 0.906 -11.968 1.00 1.00 O ATOM 364 CB VAL A 24 1.794 0.522 -9.776 1.00 1.00 C ATOM 365 CG1 VAL A 24 1.441 -0.930 -10.104 1.00 1.00 C ATOM 366 CG2 VAL A 24 2.939 0.594 -8.764 1.00 1.00 C ATOM 0 H VAL A 24 1.364 3.112 -10.320 1.00 1.00 H new ATOM 0 HA VAL A 24 3.104 0.938 -11.386 1.00 1.00 H new ATOM 0 HB VAL A 24 0.917 0.985 -9.323 1.00 1.00 H new ATOM 0 HG11 VAL A 24 1.203 -1.463 -9.184 1.00 1.00 H new ATOM 0 HG12 VAL A 24 0.579 -0.953 -10.770 1.00 1.00 H new ATOM 0 HG13 VAL A 24 2.290 -1.409 -10.592 1.00 1.00 H new ATOM 0 HG21 VAL A 24 2.671 0.030 -7.871 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.841 0.169 -9.204 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.122 1.634 -8.495 1.00 1.00 H new ATOM 376 N PRO A 25 1.664 1.055 -13.405 1.00 1.00 N ATOM 377 CA PRO A 25 0.904 0.848 -14.620 1.00 1.00 C ATOM 378 C PRO A 25 0.537 -0.623 -14.747 1.00 1.00 C ATOM 379 O PRO A 25 0.786 -1.209 -15.800 1.00 1.00 O ATOM 380 CB PRO A 25 1.842 1.278 -15.746 1.00 1.00 C ATOM 381 CG PRO A 25 3.192 1.075 -15.203 1.00 1.00 C ATOM 382 CD PRO A 25 3.070 1.243 -13.690 1.00 1.00 C ATOM 0 HA PRO A 25 -0.029 1.412 -14.639 1.00 1.00 H new ATOM 0 HB2 PRO A 25 1.682 0.681 -16.644 1.00 1.00 H new ATOM 0 HB3 PRO A 25 1.678 2.320 -16.022 1.00 1.00 H new ATOM 0 HG2 PRO A 25 3.569 0.084 -15.456 1.00 1.00 H new ATOM 0 HG3 PRO A 25 3.893 1.798 -15.620 1.00 1.00 H new ATOM 0 HD2 PRO A 25 3.681 0.512 -13.161 1.00 1.00 H new ATOM 0 HD3 PRO A 25 3.408 2.230 -13.374 1.00 1.00 H new ATOM 390 N ASP A 26 -0.036 -1.186 -13.694 1.00 1.00 N ATOM 391 CA ASP A 26 -0.425 -2.586 -13.712 1.00 1.00 C ATOM 392 C ASP A 26 -1.303 -2.883 -12.495 1.00 1.00 C ATOM 393 O ASP A 26 -0.812 -3.353 -11.470 1.00 1.00 O ATOM 394 CB ASP A 26 0.801 -3.499 -13.643 1.00 1.00 C ATOM 395 CG ASP A 26 2.040 -2.974 -14.372 1.00 1.00 C ATOM 396 OD1 ASP A 26 2.215 -3.201 -15.578 1.00 1.00 O ATOM 397 OD2 ASP A 26 2.857 -2.296 -13.639 1.00 1.00 O ATOM 0 H ASP A 26 -0.241 -0.698 -12.822 1.00 1.00 H new ATOM 0 HA ASP A 26 -0.964 -2.774 -14.641 1.00 1.00 H new ATOM 0 HB2 ASP A 26 1.056 -3.662 -12.596 1.00 1.00 H new ATOM 0 HB3 ASP A 26 0.536 -4.470 -14.061 1.00 1.00 H new ATOM 403 N CYS A 27 -2.588 -2.596 -12.648 1.00 1.00 N ATOM 404 CA CYS A 27 -3.539 -2.826 -11.575 1.00 1.00 C ATOM 405 C CYS A 27 -3.725 -4.336 -11.413 1.00 1.00 C ATOM 406 O CYS A 27 -4.828 -4.852 -11.588 1.00 1.00 O ATOM 407 CB CYS A 27 -4.868 -2.112 -11.833 1.00 1.00 C ATOM 408 SG CYS A 27 -4.725 -0.532 -12.746 1.00 1.00 S ATOM 0 H CYS A 27 -2.992 -2.206 -13.500 1.00 1.00 H new ATOM 0 HA CYS A 27 -3.151 -2.407 -10.647 1.00 1.00 H new ATOM 0 HB2 CYS A 27 -5.521 -2.781 -12.393 1.00 1.00 H new ATOM 0 HB3 CYS A 27 -5.353 -1.920 -10.876 1.00 1.00 H new ATOM 413 N LYS A 28 -2.629 -5.003 -11.080 1.00 1.00 N ATOM 414 CA LYS A 28 -2.658 -6.443 -10.892 1.00 1.00 C ATOM 415 C LYS A 28 -1.718 -6.822 -9.746 1.00 1.00 C ATOM 416 O LYS A 28 -2.122 -7.511 -8.810 1.00 1.00 O ATOM 417 CB LYS A 28 -2.345 -7.161 -12.207 1.00 1.00 C ATOM 418 CG LYS A 28 -1.377 -6.340 -13.063 1.00 1.00 C ATOM 419 CD LYS A 28 -1.082 -7.048 -14.387 1.00 1.00 C ATOM 420 CE LYS A 28 0.113 -7.993 -14.249 1.00 1.00 C ATOM 421 NZ LYS A 28 -0.342 -9.350 -13.868 1.00 1.00 N ATOM 0 H LYS A 28 -1.716 -4.572 -10.936 1.00 1.00 H new ATOM 0 HA LYS A 28 -3.658 -6.770 -10.607 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -1.911 -8.139 -11.997 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -3.268 -7.334 -12.760 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -1.804 -5.356 -13.259 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -0.448 -6.181 -12.516 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -1.960 -7.610 -14.706 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -0.878 -6.309 -15.161 1.00 1.00 H new ATOM 0 HE2 LYS A 28 0.660 -8.037 -15.191 1.00 1.00 H new ATOM 0 HE3 LYS A 28 0.803 -7.610 -13.497 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 0.326 -10.057 -14.238 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -0.385 -9.423 -12.831 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -1.286 -9.524 -14.267 1.00 1.00 H new ATOM 434 N LYS A 29 -0.483 -6.356 -9.857 1.00 1.00 N ATOM 435 CA LYS A 29 0.517 -6.638 -8.841 1.00 1.00 C ATOM 436 C LYS A 29 -0.052 -6.295 -7.463 1.00 1.00 C ATOM 437 O LYS A 29 0.377 -6.854 -6.454 1.00 1.00 O ATOM 438 CB LYS A 29 1.827 -5.915 -9.163 1.00 1.00 C ATOM 439 CG LYS A 29 2.329 -6.286 -10.560 1.00 1.00 C ATOM 440 CD LYS A 29 3.320 -7.450 -10.494 1.00 1.00 C ATOM 441 CE LYS A 29 4.555 -7.168 -11.353 1.00 1.00 C ATOM 442 NZ LYS A 29 5.263 -8.428 -11.672 1.00 1.00 N ATOM 0 H LYS A 29 -0.152 -5.785 -10.635 1.00 1.00 H new ATOM 0 HA LYS A 29 0.761 -7.700 -8.831 1.00 1.00 H new ATOM 0 HB2 LYS A 29 1.676 -4.837 -9.101 1.00 1.00 H new ATOM 0 HB3 LYS A 29 2.582 -6.175 -8.421 1.00 1.00 H new ATOM 0 HG2 LYS A 29 1.485 -6.558 -11.194 1.00 1.00 H new ATOM 0 HG3 LYS A 29 2.808 -5.422 -11.020 1.00 1.00 H new ATOM 0 HD2 LYS A 29 3.622 -7.617 -9.460 1.00 1.00 H new ATOM 0 HD3 LYS A 29 2.836 -8.365 -10.836 1.00 1.00 H new ATOM 0 HE2 LYS A 29 4.258 -6.668 -12.275 1.00 1.00 H new ATOM 0 HE3 LYS A 29 5.226 -6.491 -10.825 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 6.098 -8.219 -12.255 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 5.563 -8.890 -10.790 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 4.625 -9.062 -12.195 1.00 1.00 H new ATOM 455 N CYS A 30 -1.008 -5.379 -7.464 1.00 1.00 N ATOM 456 CA CYS A 30 -1.640 -4.956 -6.226 1.00 1.00 C ATOM 457 C CYS A 30 -2.996 -5.657 -6.114 1.00 1.00 C ATOM 458 O CYS A 30 -3.447 -5.971 -5.014 1.00 1.00 O ATOM 459 CB CYS A 30 -1.777 -3.434 -6.152 1.00 1.00 C ATOM 460 SG CYS A 30 -0.551 -2.751 -4.978 1.00 1.00 S ATOM 0 H CYS A 30 -1.361 -4.917 -8.302 1.00 1.00 H new ATOM 0 HA CYS A 30 -1.014 -5.240 -5.380 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -1.628 -2.999 -7.140 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -2.785 -3.166 -5.835 1.00 1.00 H new ATOM 465 N HIS A 31 -3.607 -5.880 -7.268 1.00 1.00 N ATOM 466 CA HIS A 31 -4.902 -6.538 -7.313 1.00 1.00 C ATOM 467 C HIS A 31 -4.751 -7.926 -7.939 1.00 1.00 C ATOM 468 O HIS A 31 -4.495 -8.047 -9.136 1.00 1.00 O ATOM 469 CB HIS A 31 -5.928 -5.668 -8.042 1.00 1.00 C ATOM 470 CG HIS A 31 -6.329 -4.425 -7.284 1.00 1.00 C ATOM 471 ND1 HIS A 31 -7.123 -4.462 -6.151 1.00 1.00 N ATOM 472 CD2 HIS A 31 -6.036 -3.112 -7.506 1.00 1.00 C ATOM 473 CE1 HIS A 31 -7.295 -3.221 -5.720 1.00 1.00 C ATOM 474 NE2 HIS A 31 -6.621 -2.385 -6.562 1.00 1.00 N ATOM 0 H HIS A 31 -3.230 -5.617 -8.178 1.00 1.00 H new ATOM 0 HA HIS A 31 -5.280 -6.673 -6.300 1.00 1.00 H new ATOM 0 HB2 HIS A 31 -5.519 -5.375 -9.009 1.00 1.00 H new ATOM 0 HB3 HIS A 31 -6.819 -6.264 -8.240 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -7.510 -5.302 -5.721 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -5.430 -2.728 -8.314 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -7.868 -2.923 -4.854 1.00 1.00 H new ATOM 482 N GLU A 32 -4.915 -8.939 -7.101 1.00 1.00 N ATOM 483 CA GLU A 32 -4.800 -10.314 -7.556 1.00 1.00 C ATOM 484 C GLU A 32 -6.055 -10.724 -8.329 1.00 1.00 C ATOM 485 O GLU A 32 -6.198 -10.396 -9.506 1.00 1.00 O ATOM 486 CB GLU A 32 -4.545 -11.261 -6.382 1.00 1.00 C ATOM 487 CG GLU A 32 -4.565 -12.721 -6.841 1.00 1.00 C ATOM 488 CD GLU A 32 -5.449 -13.571 -5.927 1.00 1.00 C ATOM 489 OE1 GLU A 32 -5.744 -13.162 -4.794 1.00 1.00 O ATOM 490 OE2 GLU A 32 -5.834 -14.694 -6.432 1.00 1.00 O ATOM 0 H GLU A 32 -5.127 -8.835 -6.109 1.00 1.00 H new ATOM 0 HA GLU A 32 -3.944 -10.383 -8.228 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -3.581 -11.032 -5.928 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -5.303 -11.107 -5.614 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -4.933 -12.779 -7.865 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -3.550 -13.119 -6.844 1.00 1.00 H new ATOM 498 N LYS A 33 -6.932 -11.435 -7.636 1.00 1.00 N ATOM 499 CA LYS A 33 -8.171 -11.893 -8.243 1.00 1.00 C ATOM 500 C LYS A 33 -8.721 -10.797 -9.158 1.00 1.00 C ATOM 501 O LYS A 33 -9.380 -11.089 -10.155 1.00 1.00 O ATOM 502 CB LYS A 33 -9.158 -12.348 -7.167 1.00 1.00 C ATOM 503 CG LYS A 33 -8.850 -13.775 -6.708 1.00 1.00 C ATOM 504 CD LYS A 33 -10.086 -14.668 -6.825 1.00 1.00 C ATOM 505 CE LYS A 33 -10.078 -15.446 -8.142 1.00 1.00 C ATOM 506 NZ LYS A 33 -11.261 -16.331 -8.229 1.00 1.00 N ATOM 0 H LYS A 33 -6.810 -11.705 -6.660 1.00 1.00 H new ATOM 0 HA LYS A 33 -7.989 -12.768 -8.867 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -9.111 -11.670 -6.315 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -10.175 -12.299 -7.557 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -8.041 -14.188 -7.310 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -8.503 -13.761 -5.675 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -10.116 -15.365 -5.987 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -10.987 -14.058 -6.765 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -10.074 -14.751 -8.982 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -9.167 -16.039 -8.215 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -11.240 -16.852 -9.129 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -11.248 -17.006 -7.438 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -12.128 -15.758 -8.181 1.00 1.00 H new ATOM 519 N GLY A 34 -8.430 -9.559 -8.787 1.00 1.00 N ATOM 520 CA GLY A 34 -8.887 -8.418 -9.563 1.00 1.00 C ATOM 521 C GLY A 34 -8.985 -7.166 -8.690 1.00 1.00 C ATOM 522 O GLY A 34 -8.731 -7.187 -7.487 1.00 1.00 O ATOM 0 H GLY A 34 -7.883 -9.321 -7.959 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -8.200 -8.237 -10.389 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -9.861 -8.638 -10.001 1.00 1.00 H new ATOM 526 N PRO A 35 -9.364 -6.058 -9.332 1.00 1.00 N ATOM 527 CA PRO A 35 -9.523 -4.765 -8.704 1.00 1.00 C ATOM 528 C PRO A 35 -10.604 -4.845 -7.636 1.00 1.00 C ATOM 529 O PRO A 35 -11.721 -5.254 -7.951 1.00 1.00 O ATOM 530 CB PRO A 35 -9.939 -3.828 -9.836 1.00 1.00 C ATOM 531 CG PRO A 35 -10.580 -4.782 -10.900 1.00 1.00 C ATOM 532 CD PRO A 35 -9.670 -5.998 -10.745 1.00 1.00 C ATOM 0 HA PRO A 35 -8.615 -4.418 -8.211 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -10.651 -3.078 -9.492 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -9.083 -3.291 -10.245 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -11.623 -5.011 -10.681 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -10.550 -4.364 -11.906 1.00 1.00 H new ATOM 0 HD2 PRO A 35 -10.167 -6.908 -11.080 1.00 1.00 H new ATOM 0 HD3 PRO A 35 -8.764 -5.891 -11.341 1.00 1.00 H new ATOM 540 N GLY A 36 -10.262 -4.463 -6.414 1.00 1.00 N ATOM 541 CA GLY A 36 -11.220 -4.503 -5.322 1.00 1.00 C ATOM 542 C GLY A 36 -10.557 -4.979 -4.028 1.00 1.00 C ATOM 543 O GLY A 36 -9.378 -4.715 -3.797 1.00 1.00 O ATOM 0 H GLY A 36 -9.335 -4.124 -6.156 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -11.648 -3.512 -5.172 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -12.043 -5.170 -5.580 1.00 1.00 H new ATOM 547 N LYS A 37 -11.343 -5.674 -3.219 1.00 1.00 N ATOM 548 CA LYS A 37 -10.847 -6.189 -1.954 1.00 1.00 C ATOM 549 C LYS A 37 -9.743 -7.213 -2.224 1.00 1.00 C ATOM 550 O LYS A 37 -9.781 -7.923 -3.228 1.00 1.00 O ATOM 551 CB LYS A 37 -12.000 -6.736 -1.110 1.00 1.00 C ATOM 552 CG LYS A 37 -12.359 -8.163 -1.531 1.00 1.00 C ATOM 553 CD LYS A 37 -13.396 -8.769 -0.583 1.00 1.00 C ATOM 554 CE LYS A 37 -14.609 -9.289 -1.357 1.00 1.00 C ATOM 555 NZ LYS A 37 -15.344 -10.292 -0.555 1.00 1.00 N ATOM 0 H LYS A 37 -12.320 -5.893 -3.415 1.00 1.00 H new ATOM 0 HA LYS A 37 -10.402 -5.388 -1.364 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -11.722 -6.723 -0.056 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -12.872 -6.091 -1.218 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -12.750 -8.159 -2.549 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -11.461 -8.781 -1.537 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -12.944 -9.584 -0.017 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -13.716 -8.018 0.140 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -15.270 -8.460 -1.608 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -14.284 -9.734 -2.298 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -16.164 -10.635 -1.095 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -14.715 -11.091 -0.337 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -15.670 -9.856 0.331 1.00 1.00 H new ATOM 568 N ILE A 38 -8.784 -7.257 -1.311 1.00 1.00 N ATOM 569 CA ILE A 38 -7.671 -8.182 -1.438 1.00 1.00 C ATOM 570 C ILE A 38 -7.745 -9.219 -0.316 1.00 1.00 C ATOM 571 O ILE A 38 -7.889 -8.865 0.854 1.00 1.00 O ATOM 572 CB ILE A 38 -6.344 -7.420 -1.485 1.00 1.00 C ATOM 573 CG1 ILE A 38 -6.399 -6.286 -2.511 1.00 1.00 C ATOM 574 CG2 ILE A 38 -5.175 -8.372 -1.745 1.00 1.00 C ATOM 575 CD1 ILE A 38 -5.219 -5.329 -2.333 1.00 1.00 C ATOM 0 H ILE A 38 -8.755 -6.667 -0.480 1.00 1.00 H new ATOM 0 HA ILE A 38 -7.733 -8.726 -2.380 1.00 1.00 H new ATOM 0 HB ILE A 38 -6.177 -6.963 -0.509 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -6.386 -6.701 -3.519 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -7.335 -5.739 -2.404 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -4.244 -7.806 -1.774 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.125 -9.113 -0.947 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.322 -8.877 -2.700 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -5.282 -4.532 -3.074 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.249 -4.897 -1.333 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.285 -5.875 -2.465 1.00 1.00 H new ATOM 587 N GLU A 39 -7.643 -10.480 -0.711 1.00 1.00 N ATOM 588 CA GLU A 39 -7.697 -11.571 0.247 1.00 1.00 C ATOM 589 C GLU A 39 -6.283 -12.008 0.633 1.00 1.00 C ATOM 590 O GLU A 39 -5.542 -12.532 -0.198 1.00 1.00 O ATOM 591 CB GLU A 39 -8.503 -12.748 -0.307 1.00 1.00 C ATOM 592 CG GLU A 39 -9.539 -13.230 0.710 1.00 1.00 C ATOM 593 CD GLU A 39 -10.876 -13.533 0.029 1.00 1.00 C ATOM 594 OE1 GLU A 39 -11.292 -14.699 -0.029 1.00 1.00 O ATOM 595 OE2 GLU A 39 -11.488 -12.504 -0.451 1.00 1.00 O ATOM 0 H GLU A 39 -7.523 -10.770 -1.682 1.00 1.00 H new ATOM 0 HA GLU A 39 -8.204 -11.216 1.144 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -9.004 -12.449 -1.228 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -7.830 -13.567 -0.562 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -9.172 -14.125 1.213 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -9.682 -12.469 1.477 1.00 1.00 H new ATOM 603 N GLY A 40 -5.950 -11.777 1.895 1.00 1.00 N ATOM 604 CA GLY A 40 -4.638 -12.140 2.402 1.00 1.00 C ATOM 605 C GLY A 40 -3.954 -10.942 3.064 1.00 1.00 C ATOM 606 O GLY A 40 -3.329 -11.082 4.114 1.00 1.00 O ATOM 0 H GLY A 40 -6.567 -11.343 2.581 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -4.735 -12.952 3.123 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -4.019 -12.511 1.585 1.00 1.00 H new ATOM 610 N PHE A 41 -4.097 -9.792 2.422 1.00 1.00 N ATOM 611 CA PHE A 41 -3.501 -8.570 2.935 1.00 1.00 C ATOM 612 C PHE A 41 -4.219 -8.100 4.202 1.00 1.00 C ATOM 613 O PHE A 41 -5.409 -8.359 4.378 1.00 1.00 O ATOM 614 CB PHE A 41 -3.658 -7.504 1.849 1.00 1.00 C ATOM 615 CG PHE A 41 -2.970 -6.177 2.174 1.00 1.00 C ATOM 616 CD1 PHE A 41 -3.517 -5.334 3.090 1.00 1.00 C ATOM 617 CD2 PHE A 41 -1.811 -5.841 1.547 1.00 1.00 C ATOM 618 CE1 PHE A 41 -2.878 -4.102 3.392 1.00 1.00 C ATOM 619 CE2 PHE A 41 -1.173 -4.609 1.849 1.00 1.00 C ATOM 620 CZ PHE A 41 -1.720 -3.766 2.765 1.00 1.00 C ATOM 0 H PHE A 41 -4.617 -9.681 1.551 1.00 1.00 H new ATOM 0 HA PHE A 41 -2.454 -8.744 3.185 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -3.254 -7.891 0.914 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -4.720 -7.320 1.686 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -4.437 -5.601 3.588 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -1.376 -6.511 0.820 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -3.312 -3.432 4.120 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -0.253 -4.341 1.351 1.00 1.00 H new ATOM 0 HZ PHE A 41 -1.234 -2.829 2.994 1.00 1.00 H new ATOM 630 N GLY A 42 -3.466 -7.417 5.052 1.00 1.00 N ATOM 631 CA GLY A 42 -4.016 -6.908 6.297 1.00 1.00 C ATOM 632 C GLY A 42 -2.930 -6.245 7.146 1.00 1.00 C ATOM 633 O GLY A 42 -3.199 -5.283 7.863 1.00 1.00 O ATOM 0 H GLY A 42 -2.480 -7.204 4.903 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -4.805 -6.187 6.082 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -4.473 -7.724 6.857 1.00 1.00 H new ATOM 637 N LYS A 43 -1.725 -6.785 7.035 1.00 1.00 N ATOM 638 CA LYS A 43 -0.597 -6.257 7.783 1.00 1.00 C ATOM 639 C LYS A 43 0.704 -6.799 7.187 1.00 1.00 C ATOM 640 O LYS A 43 1.377 -6.108 6.424 1.00 1.00 O ATOM 641 CB LYS A 43 -0.759 -6.551 9.276 1.00 1.00 C ATOM 642 CG LYS A 43 -0.020 -5.513 10.123 1.00 1.00 C ATOM 643 CD LYS A 43 0.629 -6.164 11.345 1.00 1.00 C ATOM 644 CE LYS A 43 -0.340 -6.197 12.529 1.00 1.00 C ATOM 645 NZ LYS A 43 -0.960 -7.535 12.654 1.00 1.00 N ATOM 0 H LYS A 43 -1.505 -7.583 6.438 1.00 1.00 H new ATOM 0 HA LYS A 43 -0.559 -5.171 7.698 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -1.817 -6.552 9.537 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -0.375 -7.547 9.498 1.00 1.00 H new ATOM 0 HG2 LYS A 43 0.744 -5.023 9.519 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -0.717 -4.739 10.446 1.00 1.00 H new ATOM 0 HD2 LYS A 43 0.941 -7.179 11.098 1.00 1.00 H new ATOM 0 HD3 LYS A 43 1.527 -5.612 11.621 1.00 1.00 H new ATOM 0 HE2 LYS A 43 0.191 -5.948 13.448 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -1.114 -5.442 12.394 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -1.615 -7.540 13.462 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -1.483 -7.758 11.783 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -0.219 -8.249 12.805 1.00 1.00 H new ATOM 658 N GLU A 44 1.018 -8.032 7.557 1.00 1.00 N ATOM 659 CA GLU A 44 2.226 -8.675 7.069 1.00 1.00 C ATOM 660 C GLU A 44 2.491 -8.273 5.617 1.00 1.00 C ATOM 661 O GLU A 44 3.621 -7.946 5.256 1.00 1.00 O ATOM 662 CB GLU A 44 2.132 -10.196 7.208 1.00 1.00 C ATOM 663 CG GLU A 44 1.051 -10.765 6.287 1.00 1.00 C ATOM 664 CD GLU A 44 -0.320 -10.173 6.619 1.00 1.00 C ATOM 665 OE1 GLU A 44 -0.726 -10.168 7.791 1.00 1.00 O ATOM 666 OE2 GLU A 44 -0.971 -9.705 5.608 1.00 1.00 O ATOM 0 H GLU A 44 0.457 -8.603 8.189 1.00 1.00 H new ATOM 0 HA GLU A 44 3.065 -8.339 7.678 1.00 1.00 H new ATOM 0 HB2 GLU A 44 3.095 -10.647 6.967 1.00 1.00 H new ATOM 0 HB3 GLU A 44 1.908 -10.457 8.242 1.00 1.00 H new ATOM 0 HG2 GLU A 44 1.302 -10.549 5.249 1.00 1.00 H new ATOM 0 HG3 GLU A 44 1.017 -11.850 6.388 1.00 1.00 H new ATOM 674 N MET A 45 1.431 -8.311 4.823 1.00 1.00 N ATOM 675 CA MET A 45 1.536 -7.955 3.418 1.00 1.00 C ATOM 676 C MET A 45 2.155 -6.566 3.249 1.00 1.00 C ATOM 677 O MET A 45 3.159 -6.411 2.555 1.00 1.00 O ATOM 678 CB MET A 45 0.144 -7.974 2.782 1.00 1.00 C ATOM 679 CG MET A 45 -0.124 -9.312 2.090 1.00 1.00 C ATOM 680 SD MET A 45 -0.671 -9.034 0.414 1.00 1.00 S ATOM 681 CE MET A 45 -1.160 -10.692 -0.032 1.00 1.00 C ATOM 0 H MET A 45 0.496 -8.583 5.126 1.00 1.00 H new ATOM 0 HA MET A 45 2.181 -8.682 2.925 1.00 1.00 H new ATOM 0 HB2 MET A 45 -0.612 -7.798 3.547 1.00 1.00 H new ATOM 0 HB3 MET A 45 0.060 -7.163 2.059 1.00 1.00 H new ATOM 0 HG2 MET A 45 0.782 -9.918 2.090 1.00 1.00 H new ATOM 0 HG3 MET A 45 -0.881 -9.870 2.641 1.00 1.00 H new ATOM 0 HE1 MET A 45 -1.530 -10.699 -1.057 1.00 1.00 H new ATOM 0 HE2 MET A 45 -0.301 -11.359 0.049 1.00 1.00 H new ATOM 0 HE3 MET A 45 -1.948 -11.032 0.640 1.00 1.00 H new ATOM 691 N ALA A 46 1.532 -5.592 3.895 1.00 1.00 N ATOM 692 CA ALA A 46 2.010 -4.222 3.826 1.00 1.00 C ATOM 693 C ALA A 46 3.460 -4.167 4.309 1.00 1.00 C ATOM 694 O ALA A 46 4.291 -3.482 3.714 1.00 1.00 O ATOM 695 CB ALA A 46 1.087 -3.317 4.645 1.00 1.00 C ATOM 0 H ALA A 46 0.700 -5.725 4.469 1.00 1.00 H new ATOM 0 HA ALA A 46 1.992 -3.861 2.798 1.00 1.00 H new ATOM 0 HB1 ALA A 46 1.446 -2.289 4.593 1.00 1.00 H new ATOM 0 HB2 ALA A 46 0.075 -3.369 4.242 1.00 1.00 H new ATOM 0 HB3 ALA A 46 1.081 -3.647 5.684 1.00 1.00 H new ATOM 701 N HIS A 47 3.721 -4.897 5.383 1.00 1.00 N ATOM 702 CA HIS A 47 5.056 -4.940 5.953 1.00 1.00 C ATOM 703 C HIS A 47 5.942 -5.864 5.115 1.00 1.00 C ATOM 704 O HIS A 47 7.094 -6.112 5.467 1.00 1.00 O ATOM 705 CB HIS A 47 5.005 -5.344 7.428 1.00 1.00 C ATOM 706 CG HIS A 47 4.186 -4.415 8.291 1.00 1.00 C ATOM 707 ND1 HIS A 47 3.302 -4.870 9.254 1.00 1.00 N ATOM 708 CD2 HIS A 47 4.128 -3.053 8.328 1.00 1.00 C ATOM 709 CE1 HIS A 47 2.741 -3.821 9.837 1.00 1.00 C ATOM 710 NE2 HIS A 47 3.254 -2.695 9.261 1.00 1.00 N ATOM 0 H HIS A 47 3.030 -5.464 5.874 1.00 1.00 H new ATOM 0 HA HIS A 47 5.499 -3.945 5.925 1.00 1.00 H new ATOM 0 HB2 HIS A 47 4.594 -6.351 7.504 1.00 1.00 H new ATOM 0 HB3 HIS A 47 6.022 -5.384 7.819 1.00 1.00 H new ATOM 0 HD1 HIS A 47 3.114 -5.847 9.477 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.697 -2.380 7.704 1.00 1.00 H new ATOM 0 HE1 HIS A 47 2.007 -3.851 10.629 1.00 1.00 H new ATOM 718 N GLY A 48 5.371 -6.348 4.023 1.00 1.00 N ATOM 719 CA GLY A 48 6.094 -7.240 3.132 1.00 1.00 C ATOM 720 C GLY A 48 5.508 -7.197 1.719 1.00 1.00 C ATOM 721 O GLY A 48 5.209 -6.123 1.200 1.00 1.00 O ATOM 0 H GLY A 48 4.415 -6.140 3.734 1.00 1.00 H new ATOM 0 HA2 GLY A 48 7.146 -6.956 3.102 1.00 1.00 H new ATOM 0 HA3 GLY A 48 6.050 -8.259 3.517 1.00 1.00 H new ATOM 725 N LYS A 49 5.363 -8.378 1.137 1.00 1.00 N ATOM 726 CA LYS A 49 4.818 -8.489 -0.206 1.00 1.00 C ATOM 727 C LYS A 49 3.395 -7.927 -0.222 1.00 1.00 C ATOM 728 O LYS A 49 2.426 -8.681 -0.160 1.00 1.00 O ATOM 729 CB LYS A 49 4.916 -9.932 -0.706 1.00 1.00 C ATOM 730 CG LYS A 49 5.852 -10.032 -1.912 1.00 1.00 C ATOM 731 CD LYS A 49 5.793 -11.427 -2.538 1.00 1.00 C ATOM 732 CE LYS A 49 6.836 -12.354 -1.911 1.00 1.00 C ATOM 733 NZ LYS A 49 6.513 -12.613 -0.491 1.00 1.00 N ATOM 0 H LYS A 49 5.613 -9.267 1.570 1.00 1.00 H new ATOM 0 HA LYS A 49 5.404 -7.893 -0.906 1.00 1.00 H new ATOM 0 HB2 LYS A 49 5.280 -10.574 0.096 1.00 1.00 H new ATOM 0 HB3 LYS A 49 3.925 -10.294 -0.979 1.00 1.00 H new ATOM 0 HG2 LYS A 49 5.575 -9.284 -2.655 1.00 1.00 H new ATOM 0 HG3 LYS A 49 6.874 -9.811 -1.603 1.00 1.00 H new ATOM 0 HD2 LYS A 49 4.797 -11.849 -2.401 1.00 1.00 H new ATOM 0 HD3 LYS A 49 5.964 -11.355 -3.612 1.00 1.00 H new ATOM 0 HE2 LYS A 49 6.871 -13.295 -2.460 1.00 1.00 H new ATOM 0 HE3 LYS A 49 7.825 -11.903 -1.989 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 6.917 -13.528 -0.204 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 6.914 -11.857 0.100 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 5.481 -12.637 -0.369 1.00 1.00 H new ATOM 746 N GLY A 50 3.316 -6.607 -0.306 1.00 1.00 N ATOM 747 CA GLY A 50 2.027 -5.936 -0.332 1.00 1.00 C ATOM 748 C GLY A 50 2.200 -4.425 -0.507 1.00 1.00 C ATOM 749 O GLY A 50 1.506 -3.807 -1.313 1.00 1.00 O ATOM 0 H GLY A 50 4.123 -5.985 -0.357 1.00 1.00 H new ATOM 0 HA2 GLY A 50 1.422 -6.333 -1.147 1.00 1.00 H new ATOM 0 HA3 GLY A 50 1.488 -6.139 0.593 1.00 1.00 H new ATOM 753 N CYS A 51 3.129 -3.875 0.261 1.00 1.00 N ATOM 754 CA CYS A 51 3.401 -2.449 0.200 1.00 1.00 C ATOM 755 C CYS A 51 4.917 -2.247 0.261 1.00 1.00 C ATOM 756 O CYS A 51 5.499 -1.620 -0.623 1.00 1.00 O ATOM 757 CB CYS A 51 2.678 -1.688 1.314 1.00 1.00 C ATOM 758 SG CYS A 51 0.882 -2.017 1.428 1.00 1.00 S ATOM 0 H CYS A 51 3.703 -4.391 0.928 1.00 1.00 H new ATOM 0 HA CYS A 51 3.018 -2.042 -0.736 1.00 1.00 H new ATOM 0 HB2 CYS A 51 3.141 -1.942 2.268 1.00 1.00 H new ATOM 0 HB3 CYS A 51 2.828 -0.619 1.161 1.00 1.00 H new ATOM 763 N LYS A 52 5.512 -2.789 1.313 1.00 1.00 N ATOM 764 CA LYS A 52 6.949 -2.676 1.501 1.00 1.00 C ATOM 765 C LYS A 52 7.665 -3.493 0.424 1.00 1.00 C ATOM 766 O LYS A 52 8.547 -2.981 -0.264 1.00 1.00 O ATOM 767 CB LYS A 52 7.335 -3.067 2.929 1.00 1.00 C ATOM 768 CG LYS A 52 8.024 -1.906 3.648 1.00 1.00 C ATOM 769 CD LYS A 52 9.542 -1.972 3.468 1.00 1.00 C ATOM 770 CE LYS A 52 10.159 -3.021 4.394 1.00 1.00 C ATOM 771 NZ LYS A 52 11.407 -2.507 5.002 1.00 1.00 N ATOM 0 H LYS A 52 5.026 -3.308 2.044 1.00 1.00 H new ATOM 0 HA LYS A 52 7.269 -1.641 1.382 1.00 1.00 H new ATOM 0 HB2 LYS A 52 6.444 -3.364 3.482 1.00 1.00 H new ATOM 0 HB3 LYS A 52 7.999 -3.931 2.906 1.00 1.00 H new ATOM 0 HG2 LYS A 52 7.649 -0.959 3.259 1.00 1.00 H new ATOM 0 HG3 LYS A 52 7.779 -1.934 4.710 1.00 1.00 H new ATOM 0 HD2 LYS A 52 9.779 -2.213 2.432 1.00 1.00 H new ATOM 0 HD3 LYS A 52 9.979 -0.996 3.676 1.00 1.00 H new ATOM 0 HE2 LYS A 52 9.449 -3.286 5.177 1.00 1.00 H new ATOM 0 HE3 LYS A 52 10.369 -3.931 3.833 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 11.813 -3.232 5.628 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 12.089 -2.276 4.252 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 11.197 -1.651 5.554 1.00 1.00 H new ATOM 784 N GLY A 53 7.260 -4.749 0.312 1.00 1.00 N ATOM 785 CA GLY A 53 7.852 -5.641 -0.670 1.00 1.00 C ATOM 786 C GLY A 53 8.235 -4.882 -1.941 1.00 1.00 C ATOM 787 O GLY A 53 9.338 -5.049 -2.461 1.00 1.00 O ATOM 0 H GLY A 53 6.529 -5.170 0.885 1.00 1.00 H new ATOM 0 HA2 GLY A 53 8.736 -6.118 -0.247 1.00 1.00 H new ATOM 0 HA3 GLY A 53 7.148 -6.436 -0.915 1.00 1.00 H new ATOM 791 N CYS A 54 7.303 -4.063 -2.407 1.00 1.00 N ATOM 792 CA CYS A 54 7.529 -3.277 -3.608 1.00 1.00 C ATOM 793 C CYS A 54 8.446 -2.106 -3.250 1.00 1.00 C ATOM 794 O CYS A 54 9.413 -1.831 -3.959 1.00 1.00 O ATOM 795 CB CYS A 54 6.214 -2.802 -4.229 1.00 1.00 C ATOM 796 SG CYS A 54 6.534 -2.026 -5.855 1.00 1.00 S ATOM 0 H CYS A 54 6.390 -3.927 -1.974 1.00 1.00 H new ATOM 0 HA CYS A 54 8.010 -3.896 -4.365 1.00 1.00 H new ATOM 0 HB2 CYS A 54 5.533 -3.645 -4.347 1.00 1.00 H new ATOM 0 HB3 CYS A 54 5.726 -2.088 -3.566 1.00 1.00 H new ATOM 801 N HIS A 55 8.111 -1.448 -2.150 1.00 1.00 N ATOM 802 CA HIS A 55 8.892 -0.313 -1.689 1.00 1.00 C ATOM 803 C HIS A 55 10.361 -0.721 -1.556 1.00 1.00 C ATOM 804 O HIS A 55 11.250 -0.019 -2.035 1.00 1.00 O ATOM 805 CB HIS A 55 8.314 0.254 -0.391 1.00 1.00 C ATOM 806 CG HIS A 55 6.926 0.830 -0.537 1.00 1.00 C ATOM 807 ND1 HIS A 55 6.071 1.006 0.536 1.00 1.00 N ATOM 808 CD2 HIS A 55 6.255 1.269 -1.640 1.00 1.00 C ATOM 809 CE1 HIS A 55 4.938 1.527 0.088 1.00 1.00 C ATOM 810 NE2 HIS A 55 5.054 1.689 -1.262 1.00 1.00 N ATOM 0 H HIS A 55 7.309 -1.679 -1.564 1.00 1.00 H new ATOM 0 HA HIS A 55 8.839 0.491 -2.423 1.00 1.00 H new ATOM 0 HB2 HIS A 55 8.291 -0.536 0.360 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.981 1.031 -0.017 1.00 1.00 H new ATOM 0 HD1 HIS A 55 6.278 0.774 1.508 1.00 1.00 H new ATOM 0 HD2 HIS A 55 6.636 1.274 -2.650 1.00 1.00 H new ATOM 0 HE1 HIS A 55 4.075 1.779 0.686 1.00 1.00 H new ATOM 818 N GLU A 56 10.570 -1.855 -0.902 1.00 1.00 N ATOM 819 CA GLU A 56 11.915 -2.365 -0.700 1.00 1.00 C ATOM 820 C GLU A 56 12.471 -2.930 -2.008 1.00 1.00 C ATOM 821 O GLU A 56 13.683 -3.071 -2.162 1.00 1.00 O ATOM 822 CB GLU A 56 11.940 -3.420 0.408 1.00 1.00 C ATOM 823 CG GLU A 56 10.718 -4.336 0.320 1.00 1.00 C ATOM 824 CD GLU A 56 11.099 -5.789 0.612 1.00 1.00 C ATOM 825 OE1 GLU A 56 11.388 -6.134 1.768 1.00 1.00 O ATOM 826 OE2 GLU A 56 11.087 -6.572 -0.412 1.00 1.00 O ATOM 0 H GLU A 56 9.830 -2.434 -0.505 1.00 1.00 H new ATOM 0 HA GLU A 56 12.552 -1.539 -0.385 1.00 1.00 H new ATOM 0 HB2 GLU A 56 12.851 -4.014 0.329 1.00 1.00 H new ATOM 0 HB3 GLU A 56 11.962 -2.930 1.381 1.00 1.00 H new ATOM 0 HG2 GLU A 56 9.960 -4.006 1.030 1.00 1.00 H new ATOM 0 HG3 GLU A 56 10.277 -4.265 -0.674 1.00 1.00 H new ATOM 834 N GLU A 57 11.558 -3.238 -2.918 1.00 1.00 N ATOM 835 CA GLU A 57 11.942 -3.785 -4.208 1.00 1.00 C ATOM 836 C GLU A 57 12.324 -2.658 -5.170 1.00 1.00 C ATOM 837 O GLU A 57 13.331 -2.749 -5.870 1.00 1.00 O ATOM 838 CB GLU A 57 10.823 -4.648 -4.793 1.00 1.00 C ATOM 839 CG GLU A 57 11.030 -6.124 -4.444 1.00 1.00 C ATOM 840 CD GLU A 57 12.430 -6.591 -4.845 1.00 1.00 C ATOM 841 OE1 GLU A 57 12.703 -6.777 -6.040 1.00 1.00 O ATOM 842 OE2 GLU A 57 13.250 -6.760 -3.864 1.00 1.00 O ATOM 0 H GLU A 57 10.553 -3.119 -2.787 1.00 1.00 H new ATOM 0 HA GLU A 57 12.812 -4.425 -4.064 1.00 1.00 H new ATOM 0 HB2 GLU A 57 9.860 -4.311 -4.409 1.00 1.00 H new ATOM 0 HB3 GLU A 57 10.794 -4.527 -5.876 1.00 1.00 H new ATOM 0 HG2 GLU A 57 10.886 -6.272 -3.374 1.00 1.00 H new ATOM 0 HG3 GLU A 57 10.281 -6.730 -4.953 1.00 1.00 H new ATOM 850 N MET A 58 11.499 -1.620 -5.172 1.00 1.00 N ATOM 851 CA MET A 58 11.738 -0.477 -6.036 1.00 1.00 C ATOM 852 C MET A 58 12.665 0.536 -5.362 1.00 1.00 C ATOM 853 O MET A 58 13.566 1.079 -5.999 1.00 1.00 O ATOM 854 CB MET A 58 10.405 0.196 -6.373 1.00 1.00 C ATOM 855 CG MET A 58 9.562 -0.689 -7.294 1.00 1.00 C ATOM 856 SD MET A 58 8.530 0.327 -8.338 1.00 1.00 S ATOM 857 CE MET A 58 8.392 -0.736 -9.766 1.00 1.00 C ATOM 0 H MET A 58 10.665 -1.547 -4.589 1.00 1.00 H new ATOM 0 HA MET A 58 12.219 -0.830 -6.949 1.00 1.00 H new ATOM 0 HB2 MET A 58 9.854 0.400 -5.455 1.00 1.00 H new ATOM 0 HB3 MET A 58 10.590 1.156 -6.854 1.00 1.00 H new ATOM 0 HG2 MET A 58 10.212 -1.313 -7.907 1.00 1.00 H new ATOM 0 HG3 MET A 58 8.943 -1.361 -6.700 1.00 1.00 H new ATOM 0 HE1 MET A 58 7.775 -0.251 -10.522 1.00 1.00 H new ATOM 0 HE2 MET A 58 9.384 -0.927 -10.175 1.00 1.00 H new ATOM 0 HE3 MET A 58 7.933 -1.680 -9.474 1.00 1.00 H new ATOM 867 N LYS A 59 12.412 0.760 -4.081 1.00 1.00 N ATOM 868 CA LYS A 59 13.212 1.699 -3.313 1.00 1.00 C ATOM 869 C LYS A 59 12.755 3.125 -3.622 1.00 1.00 C ATOM 870 O LYS A 59 13.580 4.017 -3.816 1.00 1.00 O ATOM 871 CB LYS A 59 14.703 1.462 -3.564 1.00 1.00 C ATOM 872 CG LYS A 59 15.042 -0.028 -3.487 1.00 1.00 C ATOM 873 CD LYS A 59 15.297 -0.458 -2.041 1.00 1.00 C ATOM 874 CE LYS A 59 16.615 -1.226 -1.922 1.00 1.00 C ATOM 875 NZ LYS A 59 16.802 -1.724 -0.540 1.00 1.00 N ATOM 0 H LYS A 59 11.664 0.307 -3.555 1.00 1.00 H new ATOM 0 HA LYS A 59 13.063 1.542 -2.245 1.00 1.00 H new ATOM 0 HB2 LYS A 59 14.977 1.851 -4.545 1.00 1.00 H new ATOM 0 HB3 LYS A 59 15.291 2.011 -2.828 1.00 1.00 H new ATOM 0 HG2 LYS A 59 14.223 -0.613 -3.905 1.00 1.00 H new ATOM 0 HG3 LYS A 59 15.924 -0.236 -4.093 1.00 1.00 H new ATOM 0 HD2 LYS A 59 15.324 0.420 -1.396 1.00 1.00 H new ATOM 0 HD3 LYS A 59 14.475 -1.083 -1.693 1.00 1.00 H new ATOM 0 HE2 LYS A 59 16.619 -2.063 -2.620 1.00 1.00 H new ATOM 0 HE3 LYS A 59 17.447 -0.577 -2.197 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 17.701 -2.243 -0.477 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 16.819 -0.920 0.119 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 16.017 -2.359 -0.291 1.00 1.00 H new ATOM 888 N LYS A 60 11.442 3.297 -3.660 1.00 1.00 N ATOM 889 CA LYS A 60 10.865 4.601 -3.943 1.00 1.00 C ATOM 890 C LYS A 60 9.846 4.949 -2.856 1.00 1.00 C ATOM 891 O LYS A 60 9.819 6.076 -2.364 1.00 1.00 O ATOM 892 CB LYS A 60 10.290 4.636 -5.360 1.00 1.00 C ATOM 893 CG LYS A 60 11.278 5.277 -6.337 1.00 1.00 C ATOM 894 CD LYS A 60 10.900 6.732 -6.622 1.00 1.00 C ATOM 895 CE LYS A 60 12.143 7.573 -6.921 1.00 1.00 C ATOM 896 NZ LYS A 60 12.696 7.225 -8.249 1.00 1.00 N ATOM 0 H LYS A 60 10.761 2.555 -3.500 1.00 1.00 H new ATOM 0 HA LYS A 60 11.635 5.373 -3.918 1.00 1.00 H new ATOM 0 HB2 LYS A 60 10.056 3.623 -5.686 1.00 1.00 H new ATOM 0 HB3 LYS A 60 9.355 5.196 -5.363 1.00 1.00 H new ATOM 0 HG2 LYS A 60 12.285 5.234 -5.922 1.00 1.00 H new ATOM 0 HG3 LYS A 60 11.292 4.712 -7.269 1.00 1.00 H new ATOM 0 HD2 LYS A 60 10.215 6.774 -7.469 1.00 1.00 H new ATOM 0 HD3 LYS A 60 10.372 7.149 -5.764 1.00 1.00 H new ATOM 0 HE2 LYS A 60 11.888 8.632 -6.893 1.00 1.00 H new ATOM 0 HE3 LYS A 60 12.896 7.406 -6.151 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 13.539 7.804 -8.437 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 12.958 6.219 -8.263 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 11.981 7.407 -8.982 1.00 1.00 H new ATOM 909 N GLY A 61 9.031 3.961 -2.515 1.00 1.00 N ATOM 910 CA GLY A 61 8.013 4.149 -1.496 1.00 1.00 C ATOM 911 C GLY A 61 8.633 4.172 -0.098 1.00 1.00 C ATOM 912 O GLY A 61 9.847 4.096 0.079 1.00 1.00 O ATOM 0 H GLY A 61 9.055 3.028 -2.927 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.481 5.083 -1.677 1.00 1.00 H new ATOM 0 HA3 GLY A 61 7.278 3.346 -1.559 1.00 1.00 H new ATOM 916 N PRO A 62 7.759 4.280 0.905 1.00 1.00 N ATOM 917 CA PRO A 62 8.125 4.319 2.305 1.00 1.00 C ATOM 918 C PRO A 62 8.501 2.921 2.773 1.00 1.00 C ATOM 919 O PRO A 62 7.779 1.975 2.462 1.00 1.00 O ATOM 920 CB PRO A 62 6.872 4.818 3.023 1.00 1.00 C ATOM 921 CG PRO A 62 5.746 4.138 2.126 1.00 1.00 C ATOM 922 CD PRO A 62 6.325 4.371 0.733 1.00 1.00 C ATOM 0 HA PRO A 62 8.983 4.962 2.502 1.00 1.00 H new ATOM 0 HB2 PRO A 62 6.830 4.491 4.062 1.00 1.00 H new ATOM 0 HB3 PRO A 62 6.800 5.906 3.027 1.00 1.00 H new ATOM 0 HG2 PRO A 62 5.620 3.079 2.351 1.00 1.00 H new ATOM 0 HG3 PRO A 62 4.772 4.610 2.255 1.00 1.00 H new ATOM 0 HD2 PRO A 62 5.964 3.625 0.025 1.00 1.00 H new ATOM 0 HD3 PRO A 62 6.035 5.347 0.343 1.00 1.00 H new ATOM 930 N THR A 63 9.605 2.815 3.499 1.00 1.00 N ATOM 931 CA THR A 63 10.054 1.525 3.994 1.00 1.00 C ATOM 932 C THR A 63 10.445 1.627 5.470 1.00 1.00 C ATOM 933 O THR A 63 11.245 0.831 5.960 1.00 1.00 O ATOM 934 CB THR A 63 11.195 1.044 3.095 1.00 1.00 C ATOM 935 OG1 THR A 63 11.826 2.247 2.662 1.00 1.00 O ATOM 936 CG2 THR A 63 10.691 0.402 1.801 1.00 1.00 C ATOM 0 H THR A 63 10.201 3.602 3.756 1.00 1.00 H new ATOM 0 HA THR A 63 9.254 0.785 3.952 1.00 1.00 H new ATOM 0 HB THR A 63 11.809 0.327 3.640 1.00 1.00 H new ATOM 0 HG1 THR A 63 12.579 2.028 2.075 1.00 1.00 H new ATOM 0 HG21 THR A 63 11.541 0.079 1.200 1.00 1.00 H new ATOM 0 HG22 THR A 63 10.068 -0.459 2.041 1.00 1.00 H new ATOM 0 HG23 THR A 63 10.105 1.129 1.239 1.00 1.00 H new ATOM 944 N LYS A 64 9.863 2.613 6.136 1.00 1.00 N ATOM 945 CA LYS A 64 10.140 2.829 7.546 1.00 1.00 C ATOM 946 C LYS A 64 8.821 3.020 8.297 1.00 1.00 C ATOM 947 O LYS A 64 7.823 3.437 7.711 1.00 1.00 O ATOM 948 CB LYS A 64 11.123 3.987 7.727 1.00 1.00 C ATOM 949 CG LYS A 64 12.356 3.540 8.517 1.00 1.00 C ATOM 950 CD LYS A 64 11.988 3.201 9.962 1.00 1.00 C ATOM 951 CE LYS A 64 13.118 3.582 10.920 1.00 1.00 C ATOM 952 NZ LYS A 64 13.022 5.011 11.293 1.00 1.00 N ATOM 0 H LYS A 64 9.201 3.271 5.726 1.00 1.00 H new ATOM 0 HA LYS A 64 10.629 1.955 7.976 1.00 1.00 H new ATOM 0 HB2 LYS A 64 11.429 4.365 6.752 1.00 1.00 H new ATOM 0 HB3 LYS A 64 10.631 4.809 8.248 1.00 1.00 H new ATOM 0 HG2 LYS A 64 12.803 2.669 8.038 1.00 1.00 H new ATOM 0 HG3 LYS A 64 13.106 4.331 8.505 1.00 1.00 H new ATOM 0 HD2 LYS A 64 11.076 3.728 10.242 1.00 1.00 H new ATOM 0 HD3 LYS A 64 11.779 2.135 10.047 1.00 1.00 H new ATOM 0 HE2 LYS A 64 13.068 2.962 11.815 1.00 1.00 H new ATOM 0 HE3 LYS A 64 14.082 3.387 10.450 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 13.797 5.253 11.944 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 13.092 5.599 10.438 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 12.110 5.187 11.760 1.00 1.00 H new ATOM 965 N CYS A 65 8.858 2.705 9.584 1.00 1.00 N ATOM 966 CA CYS A 65 7.678 2.836 10.421 1.00 1.00 C ATOM 967 C CYS A 65 7.213 4.293 10.370 1.00 1.00 C ATOM 968 O CYS A 65 6.018 4.563 10.259 1.00 1.00 O ATOM 969 CB CYS A 65 7.947 2.373 11.854 1.00 1.00 C ATOM 970 SG CYS A 65 9.076 0.940 11.999 1.00 1.00 S ATOM 0 H CYS A 65 9.687 2.359 10.067 1.00 1.00 H new ATOM 0 HA CYS A 65 6.887 2.189 10.043 1.00 1.00 H new ATOM 0 HB2 CYS A 65 8.367 3.207 12.417 1.00 1.00 H new ATOM 0 HB3 CYS A 65 6.997 2.118 12.323 1.00 1.00 H new ATOM 975 N GLY A 66 8.181 5.193 10.453 1.00 1.00 N ATOM 976 CA GLY A 66 7.885 6.615 10.418 1.00 1.00 C ATOM 977 C GLY A 66 7.795 7.121 8.976 1.00 1.00 C ATOM 978 O GLY A 66 7.814 8.327 8.736 1.00 1.00 O ATOM 0 H GLY A 66 9.171 4.965 10.544 1.00 1.00 H new ATOM 0 HA2 GLY A 66 6.944 6.807 10.934 1.00 1.00 H new ATOM 0 HA3 GLY A 66 8.660 7.165 10.952 1.00 1.00 H new ATOM 982 N GLU A 67 7.698 6.173 8.056 1.00 1.00 N ATOM 983 CA GLU A 67 7.605 6.507 6.645 1.00 1.00 C ATOM 984 C GLU A 67 6.242 6.091 6.090 1.00 1.00 C ATOM 985 O GLU A 67 5.943 6.334 4.922 1.00 1.00 O ATOM 986 CB GLU A 67 8.742 5.859 5.852 1.00 1.00 C ATOM 987 CG GLU A 67 9.596 6.918 5.152 1.00 1.00 C ATOM 988 CD GLU A 67 10.318 6.326 3.939 1.00 1.00 C ATOM 989 OE1 GLU A 67 10.188 6.850 2.823 1.00 1.00 O ATOM 990 OE2 GLU A 67 11.036 5.284 4.188 1.00 1.00 O ATOM 0 H GLU A 67 7.682 5.174 8.260 1.00 1.00 H new ATOM 0 HA GLU A 67 7.703 7.587 6.540 1.00 1.00 H new ATOM 0 HB2 GLU A 67 9.366 5.268 6.522 1.00 1.00 H new ATOM 0 HB3 GLU A 67 8.329 5.173 5.113 1.00 1.00 H new ATOM 0 HG2 GLU A 67 8.965 7.748 4.835 1.00 1.00 H new ATOM 0 HG3 GLU A 67 10.326 7.323 5.853 1.00 1.00 H new ATOM 998 N CYS A 68 5.451 5.470 6.953 1.00 1.00 N ATOM 999 CA CYS A 68 4.127 5.018 6.564 1.00 1.00 C ATOM 1000 C CYS A 68 3.127 5.493 7.620 1.00 1.00 C ATOM 1001 O CYS A 68 2.217 6.262 7.316 1.00 1.00 O ATOM 1002 CB CYS A 68 4.080 3.500 6.375 1.00 1.00 C ATOM 1003 SG CYS A 68 3.996 3.093 4.593 1.00 1.00 S ATOM 0 H CYS A 68 5.703 5.269 7.921 1.00 1.00 H new ATOM 0 HA CYS A 68 3.864 5.447 5.597 1.00 1.00 H new ATOM 0 HB2 CYS A 68 4.964 3.042 6.820 1.00 1.00 H new ATOM 0 HB3 CYS A 68 3.213 3.088 6.892 1.00 1.00 H new ATOM 1008 N HIS A 69 3.330 5.014 8.839 1.00 1.00 N ATOM 1009 CA HIS A 69 2.458 5.380 9.941 1.00 1.00 C ATOM 1010 C HIS A 69 2.720 6.833 10.343 1.00 1.00 C ATOM 1011 O HIS A 69 3.749 7.139 10.945 1.00 1.00 O ATOM 1012 CB HIS A 69 2.619 4.405 11.109 1.00 1.00 C ATOM 1013 CG HIS A 69 2.265 2.977 10.769 1.00 1.00 C ATOM 1014 ND1 HIS A 69 0.959 2.545 10.615 1.00 1.00 N ATOM 1015 CD2 HIS A 69 3.059 1.888 10.554 1.00 1.00 C ATOM 1016 CE1 HIS A 69 0.978 1.253 10.322 1.00 1.00 C ATOM 1017 NE2 HIS A 69 2.280 0.848 10.285 1.00 1.00 N ATOM 0 H HIS A 69 4.086 4.376 9.087 1.00 1.00 H new ATOM 0 HA HIS A 69 1.418 5.309 9.624 1.00 1.00 H new ATOM 0 HB2 HIS A 69 3.651 4.440 11.458 1.00 1.00 H new ATOM 0 HB3 HIS A 69 1.991 4.737 11.936 1.00 1.00 H new ATOM 0 HD1 HIS A 69 0.124 3.123 10.711 1.00 1.00 H new ATOM 0 HD2 HIS A 69 4.138 1.875 10.596 1.00 1.00 H new ATOM 0 HE1 HIS A 69 0.114 0.630 10.144 1.00 1.00 H new ATOM 1025 N LYS A 70 1.773 7.691 9.993 1.00 1.00 N ATOM 1026 CA LYS A 70 1.888 9.104 10.309 1.00 1.00 C ATOM 1027 C LYS A 70 0.590 9.585 10.958 1.00 1.00 C ATOM 1028 O LYS A 70 -0.422 9.755 10.280 1.00 1.00 O ATOM 1029 CB LYS A 70 2.285 9.901 9.065 1.00 1.00 C ATOM 1030 CG LYS A 70 3.465 9.243 8.345 1.00 1.00 C ATOM 1031 CD LYS A 70 3.453 9.577 6.852 1.00 1.00 C ATOM 1032 CE LYS A 70 4.869 9.562 6.275 1.00 1.00 C ATOM 1033 NZ LYS A 70 5.130 10.800 5.508 1.00 1.00 N ATOM 0 H LYS A 70 0.922 7.434 9.493 1.00 1.00 H new ATOM 0 HA LYS A 70 2.686 9.268 11.033 1.00 1.00 H new ATOM 0 HB2 LYS A 70 1.434 9.971 8.387 1.00 1.00 H new ATOM 0 HB3 LYS A 70 2.550 10.919 9.350 1.00 1.00 H new ATOM 0 HG2 LYS A 70 4.401 9.582 8.789 1.00 1.00 H new ATOM 0 HG3 LYS A 70 3.421 8.162 8.480 1.00 1.00 H new ATOM 0 HD2 LYS A 70 2.832 8.856 6.320 1.00 1.00 H new ATOM 0 HD3 LYS A 70 3.005 10.559 6.699 1.00 1.00 H new ATOM 0 HE2 LYS A 70 5.596 9.467 7.082 1.00 1.00 H new ATOM 0 HE3 LYS A 70 4.995 8.693 5.629 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 6.096 10.773 5.123 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 4.448 10.874 4.726 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 5.030 11.624 6.134 1.00 1.00 H new ATOM 1046 N LYS A 71 0.660 9.791 12.266 1.00 1.00 N ATOM 1047 CA LYS A 71 -0.498 10.249 13.014 1.00 1.00 C ATOM 1048 C LYS A 71 -1.059 11.511 12.356 1.00 1.00 C ATOM 1049 O LYS A 71 -2.089 12.031 12.781 1.00 1.00 O ATOM 1050 CB LYS A 71 -0.144 10.431 14.491 1.00 1.00 C ATOM 1051 CG LYS A 71 -1.391 10.328 15.372 1.00 1.00 C ATOM 1052 CD LYS A 71 -1.551 11.575 16.243 1.00 1.00 C ATOM 1053 CE LYS A 71 -2.696 11.401 17.244 1.00 1.00 C ATOM 1054 NZ LYS A 71 -2.662 12.474 18.262 1.00 1.00 N ATOM 0 H LYS A 71 1.501 9.649 12.826 1.00 1.00 H new ATOM 0 HA LYS A 71 -1.288 9.499 12.990 1.00 1.00 H new ATOM 0 HB2 LYS A 71 0.581 9.674 14.791 1.00 1.00 H new ATOM 0 HB3 LYS A 71 0.330 11.402 14.638 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -2.274 10.202 14.745 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -1.321 9.444 16.006 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -0.622 11.771 16.778 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -1.744 12.442 15.611 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -3.651 11.419 16.719 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -2.618 10.428 17.730 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -3.445 12.341 18.933 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -1.758 12.438 18.774 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -2.759 13.398 17.795 1.00 1.00 H new TER 1067 LYS A 71 HETATM 1068 CHA HEM A 101 -8.842 -0.913 -3.738 1.00 1.00 C HETATM 1069 CHB HEM A 101 -9.133 -0.172 -8.543 1.00 1.00 C HETATM 1070 CHC HEM A 101 -4.277 0.096 -8.808 1.00 1.00 C HETATM 1071 CHD HEM A 101 -3.982 -1.059 -4.018 1.00 1.00 C HETATM 1072 C1A HEM A 101 -9.329 -0.770 -5.033 1.00 1.00 C HETATM 1073 C2A HEM A 101 -10.720 -0.906 -5.396 1.00 1.00 C HETATM 1074 C3A HEM A 101 -10.804 -0.701 -6.728 1.00 1.00 C HETATM 1075 C4A HEM A 101 -9.466 -0.437 -7.202 1.00 1.00 C HETATM 1076 CMA HEM A 101 -12.031 -0.732 -7.592 1.00 1.00 C HETATM 1077 CAA HEM A 101 -11.832 -1.217 -4.437 1.00 1.00 C HETATM 1078 CBA HEM A 101 -12.474 0.016 -3.809 1.00 1.00 C HETATM 1079 CGA HEM A 101 -13.534 -0.377 -2.790 1.00 1.00 C HETATM 1080 O1A HEM A 101 -13.177 -1.138 -1.865 1.00 1.00 O HETATM 1081 O2A HEM A 101 -14.681 0.092 -2.955 1.00 1.00 O HETATM 1082 C1B HEM A 101 -7.836 0.009 -9.012 1.00 1.00 C HETATM 1083 C2B HEM A 101 -7.509 0.394 -10.365 1.00 1.00 C HETATM 1084 C3B HEM A 101 -6.163 0.469 -10.442 1.00 1.00 C HETATM 1085 C4B HEM A 101 -5.644 0.132 -9.137 1.00 1.00 C HETATM 1086 CMB HEM A 101 -8.512 0.652 -11.451 1.00 1.00 C HETATM 1087 CAB HEM A 101 -5.325 0.830 -11.633 1.00 1.00 C HETATM 1088 CBB HEM A 101 -5.895 1.970 -12.472 1.00 1.00 C HETATM 1089 C1C HEM A 101 -3.744 -0.252 -7.484 1.00 1.00 C HETATM 1090 C2C HEM A 101 -2.347 -0.421 -7.162 1.00 1.00 C HETATM 1091 C3C HEM A 101 -2.277 -0.737 -5.851 1.00 1.00 C HETATM 1092 C4C HEM A 101 -3.631 -0.766 -5.349 1.00 1.00 C HETATM 1093 CMC HEM A 101 -1.216 -0.264 -8.136 1.00 1.00 C HETATM 1094 CAC HEM A 101 -1.051 -1.012 -5.031 1.00 1.00 C HETATM 1095 CBC HEM A 101 0.197 -0.279 -5.515 1.00 1.00 C HETATM 1096 C1D HEM A 101 -5.287 -1.108 -3.540 1.00 1.00 C HETATM 1097 C2D HEM A 101 -5.638 -1.394 -2.169 1.00 1.00 C HETATM 1098 C3D HEM A 101 -6.985 -1.355 -2.088 1.00 1.00 C HETATM 1099 C4D HEM A 101 -7.481 -1.043 -3.407 1.00 1.00 C HETATM 1100 CMD HEM A 101 -4.654 -1.678 -1.071 1.00 1.00 C HETATM 1101 CAD HEM A 101 -7.845 -1.584 -0.879 1.00 1.00 C HETATM 1102 CBD HEM A 101 -7.520 -2.867 -0.120 1.00 1.00 C HETATM 1103 CGD HEM A 101 -6.944 -2.559 1.255 1.00 1.00 C HETATM 1104 O1D HEM A 101 -5.915 -3.184 1.592 1.00 1.00 O HETATM 1105 O2D HEM A 101 -7.543 -1.705 1.943 1.00 1.00 O HETATM 1106 NA HEM A 101 -8.567 -0.481 -6.151 1.00 1.00 N HETATM 1107 NB HEM A 101 -6.682 -0.149 -8.266 1.00 1.00 N HETATM 1108 NC HEM A 101 -4.525 -0.467 -6.362 1.00 1.00 N HETATM 1109 ND HEM A 101 -6.428 -0.894 -4.293 1.00 1.00 N HETATM 1110 FE HEM A 101 -6.389 -0.536 -6.316 1.00 1.00 FE HETATM 0 HMA1 HEM A 101 -11.901 -0.052 -8.434 1.00 1.00 H new HETATM 0 HMA2 HEM A 101 -12.897 -0.423 -7.006 1.00 1.00 H new HETATM 0 HMA3 HEM A 101 -12.188 -1.744 -7.965 1.00 1.00 H new HETATM 0 HMB1 HEM A 101 -9.396 0.037 -11.283 1.00 1.00 H new HETATM 0 HMB2 HEM A 101 -8.074 0.402 -12.417 1.00 1.00 H new HETATM 0 HMB3 HEM A 101 -8.795 1.705 -11.442 1.00 1.00 H new HETATM 0 HMC1 HEM A 101 -1.557 -0.533 -9.136 1.00 1.00 H new HETATM 0 HMC2 HEM A 101 -0.393 -0.917 -7.846 1.00 1.00 H new HETATM 0 HMC3 HEM A 101 -0.876 0.772 -8.135 1.00 1.00 H new HETATM 0 HMD1 HEM A 101 -5.065 -1.343 -0.119 1.00 1.00 H new HETATM 0 HMD2 HEM A 101 -3.723 -1.148 -1.271 1.00 1.00 H new HETATM 0 HMD3 HEM A 101 -4.459 -2.749 -1.025 1.00 1.00 H new HETATM 0 HBB1 HEM A 101 -5.364 2.311 -13.361 1.00 1.00 H new HETATM 0 HBB2 HEM A 101 -6.833 2.443 -12.183 1.00 1.00 H new HETATM 0 HBC1 HEM A 101 1.143 -0.409 -4.990 1.00 1.00 H new HETATM 0 HBC2 HEM A 101 0.142 0.374 -6.386 1.00 1.00 H new HETATM 0 HBA1 HEM A 101 -12.924 0.632 -4.588 1.00 1.00 H new HETATM 0 HBA2 HEM A 101 -11.708 0.623 -3.326 1.00 1.00 H new HETATM 0 HAA1 HEM A 101 -11.445 -1.856 -3.643 1.00 1.00 H new HETATM 0 HAA2 HEM A 101 -12.600 -1.787 -4.960 1.00 1.00 H new HETATM 0 HBD1 HEM A 101 -6.807 -3.461 -0.692 1.00 1.00 H new HETATM 0 HBD2 HEM A 101 -8.423 -3.469 -0.013 1.00 1.00 H new HETATM 0 HAD1 HEM A 101 -8.890 -1.612 -1.189 1.00 1.00 H new HETATM 0 HAD2 HEM A 101 -7.736 -0.736 -0.202 1.00 1.00 H new HETATM 0 HHA HEM A 101 -9.559 -0.925 -2.930 1.00 1.00 H new HETATM 0 HHB HEM A 101 -9.940 -0.104 -9.258 1.00 1.00 H new HETATM 0 HHC HEM A 101 -3.568 0.342 -9.585 1.00 1.00 H new HETATM 0 HHD HEM A 101 -3.183 -1.260 -3.320 1.00 1.00 H new HETATM 0 HAB HEM A 101 -4.392 0.323 -11.877 1.00 1.00 H new HETATM 0 HAC HEM A 101 -1.052 -1.676 -4.167 1.00 1.00 H new HETATM 1111 CHA HEM A 102 5.301 5.566 -2.562 1.00 1.00 C HETATM 1112 CHB HEM A 102 2.177 3.570 0.597 1.00 1.00 C HETATM 1113 CHC HEM A 102 1.954 -0.451 -2.141 1.00 1.00 C HETATM 1114 CHD HEM A 102 5.295 1.476 -5.206 1.00 1.00 C HETATM 1115 C1A HEM A 102 4.430 5.378 -1.494 1.00 1.00 C HETATM 1116 C2A HEM A 102 4.095 6.400 -0.530 1.00 1.00 C HETATM 1117 C3A HEM A 102 3.229 5.850 0.347 1.00 1.00 C HETATM 1118 C4A HEM A 102 3.019 4.482 -0.065 1.00 1.00 C HETATM 1119 CMA HEM A 102 2.583 6.498 1.537 1.00 1.00 C HETATM 1120 CAA HEM A 102 4.635 7.801 -0.541 1.00 1.00 C HETATM 1121 CBA HEM A 102 4.674 8.439 -1.926 1.00 1.00 C HETATM 1122 CGA HEM A 102 3.882 9.738 -1.954 1.00 1.00 C HETATM 1123 O1A HEM A 102 3.990 10.490 -0.961 1.00 1.00 O HETATM 1124 O2A HEM A 102 3.182 9.955 -2.966 1.00 1.00 O HETATM 1125 C1B HEM A 102 1.842 2.310 0.112 1.00 1.00 C HETATM 1126 C2B HEM A 102 0.904 1.417 0.751 1.00 1.00 C HETATM 1127 C3B HEM A 102 0.840 0.301 -0.006 1.00 1.00 C HETATM 1128 C4B HEM A 102 1.737 0.493 -1.121 1.00 1.00 C HETATM 1129 CMB HEM A 102 0.162 1.717 2.020 1.00 1.00 C HETATM 1130 CAB HEM A 102 0.010 -0.927 0.227 1.00 1.00 C HETATM 1131 CBB HEM A 102 -1.380 -0.640 0.786 1.00 1.00 C HETATM 1132 C1C HEM A 102 2.878 -0.297 -3.274 1.00 1.00 C HETATM 1133 C2C HEM A 102 3.240 -1.315 -4.233 1.00 1.00 C HETATM 1134 C3C HEM A 102 4.169 -0.777 -5.051 1.00 1.00 C HETATM 1135 C4C HEM A 102 4.392 0.579 -4.607 1.00 1.00 C HETATM 1136 CMC HEM A 102 2.662 -2.700 -4.274 1.00 1.00 C HETATM 1137 CAC HEM A 102 4.864 -1.426 -6.212 1.00 1.00 C HETATM 1138 CBC HEM A 102 4.138 -2.648 -6.766 1.00 1.00 C HETATM 1139 C1D HEM A 102 5.503 2.785 -4.785 1.00 1.00 C HETATM 1140 C2D HEM A 102 6.192 3.788 -5.562 1.00 1.00 C HETATM 1141 C3D HEM A 102 6.196 4.923 -4.832 1.00 1.00 C HETATM 1142 C4D HEM A 102 5.508 4.634 -3.596 1.00 1.00 C HETATM 1143 CMD HEM A 102 6.780 3.564 -6.925 1.00 1.00 C HETATM 1144 CAD HEM A 102 6.788 6.253 -5.195 1.00 1.00 C HETATM 1145 CBD HEM A 102 5.889 7.112 -6.080 1.00 1.00 C HETATM 1146 CGD HEM A 102 4.808 7.800 -5.260 1.00 1.00 C HETATM 1147 O1D HEM A 102 3.726 7.189 -5.122 1.00 1.00 O HETATM 1148 O2D HEM A 102 5.083 8.923 -4.786 1.00 1.00 O HETATM 1149 NA HEM A 102 3.762 4.202 -1.198 1.00 1.00 N HETATM 1150 NB HEM A 102 2.348 1.732 -1.039 1.00 1.00 N HETATM 1151 NC HEM A 102 3.593 0.863 -3.513 1.00 1.00 N HETATM 1152 ND HEM A 102 5.086 3.316 -3.577 1.00 1.00 N HETATM 1153 FE HEM A 102 3.793 2.485 -2.391 1.00 1.00 FE HETATM 0 HMA1 HEM A 102 3.245 7.266 1.937 1.00 1.00 H new HETATM 0 HMA2 HEM A 102 2.395 5.746 2.303 1.00 1.00 H new HETATM 0 HMA3 HEM A 102 1.640 6.953 1.236 1.00 1.00 H new HETATM 0 HMB1 HEM A 102 -0.799 1.202 2.010 1.00 1.00 H new HETATM 0 HMB2 HEM A 102 -0.003 2.791 2.100 1.00 1.00 H new HETATM 0 HMB3 HEM A 102 0.748 1.376 2.873 1.00 1.00 H new HETATM 0 HMC1 HEM A 102 2.383 -3.008 -3.266 1.00 1.00 H new HETATM 0 HMC2 HEM A 102 3.404 -3.392 -4.672 1.00 1.00 H new HETATM 0 HMC3 HEM A 102 1.779 -2.707 -4.913 1.00 1.00 H new HETATM 0 HMD1 HEM A 102 6.752 4.495 -7.491 1.00 1.00 H new HETATM 0 HMD2 HEM A 102 6.203 2.803 -7.450 1.00 1.00 H new HETATM 0 HMD3 HEM A 102 7.813 3.231 -6.825 1.00 1.00 H new HETATM 0 HBB1 HEM A 102 -2.065 -1.462 0.992 1.00 1.00 H new HETATM 0 HBB2 HEM A 102 -1.688 0.387 0.979 1.00 1.00 H new HETATM 0 HBC1 HEM A 102 4.557 -3.195 -7.611 1.00 1.00 H new HETATM 0 HBC2 HEM A 102 3.200 -2.975 -6.317 1.00 1.00 H new HETATM 0 HBA1 HEM A 102 4.266 7.745 -2.661 1.00 1.00 H new HETATM 0 HBA2 HEM A 102 5.708 8.634 -2.211 1.00 1.00 H new HETATM 0 HAA1 HEM A 102 5.643 7.794 -0.127 1.00 1.00 H new HETATM 0 HAA2 HEM A 102 4.024 8.420 0.116 1.00 1.00 H new HETATM 0 HBD1 HEM A 102 5.427 6.490 -6.847 1.00 1.00 H new HETATM 0 HBD2 HEM A 102 6.490 7.861 -6.596 1.00 1.00 H new HETATM 0 HAD1 HEM A 102 7.736 6.089 -5.708 1.00 1.00 H new HETATM 0 HAD2 HEM A 102 7.011 6.802 -4.280 1.00 1.00 H new HETATM 0 HHA HEM A 102 5.857 6.491 -2.600 1.00 1.00 H new HETATM 0 HHB HEM A 102 1.762 3.869 1.548 1.00 1.00 H new HETATM 0 HHC HEM A 102 1.391 -1.371 -2.087 1.00 1.00 H new HETATM 0 HHD HEM A 102 5.867 1.124 -6.052 1.00 1.00 H new HETATM 0 HAB HEM A 102 0.368 -1.934 0.016 1.00 1.00 H new HETATM 0 HAC HEM A 102 5.804 -1.057 -6.623 1.00 1.00 H new HETATM 1154 CHA HEM A 103 -0.399 -2.049 10.482 1.00 1.00 C HETATM 1155 CHB HEM A 103 3.681 -1.566 13.098 1.00 1.00 C HETATM 1156 CHC HEM A 103 6.074 -0.050 9.136 1.00 1.00 C HETATM 1157 CHD HEM A 103 1.805 -0.031 6.636 1.00 1.00 C HETATM 1158 C1A HEM A 103 0.509 -2.030 11.535 1.00 1.00 C HETATM 1159 C2A HEM A 103 0.176 -2.364 12.900 1.00 1.00 C HETATM 1160 C3A HEM A 103 1.305 -2.231 13.628 1.00 1.00 C HETATM 1161 C4A HEM A 103 2.348 -1.813 12.721 1.00 1.00 C HETATM 1162 CMA HEM A 103 1.488 -2.463 15.099 1.00 1.00 C HETATM 1163 CAA HEM A 103 -1.186 -2.778 13.375 1.00 1.00 C HETATM 1164 CBA HEM A 103 -2.140 -1.611 13.618 1.00 1.00 C HETATM 1165 CGA HEM A 103 -2.668 -1.624 15.045 1.00 1.00 C HETATM 1166 O1A HEM A 103 -2.838 -2.742 15.578 1.00 1.00 O HETATM 1167 O2A HEM A 103 -2.892 -0.515 15.578 1.00 1.00 O HETATM 1168 C1B HEM A 103 4.691 -1.187 12.220 1.00 1.00 C HETATM 1169 C2B HEM A 103 6.095 -1.169 12.558 1.00 1.00 C HETATM 1170 C3B HEM A 103 6.761 -0.749 11.461 1.00 1.00 C HETATM 1171 C4B HEM A 103 5.777 -0.503 10.434 1.00 1.00 C HETATM 1172 CMB HEM A 103 6.662 -1.555 13.893 1.00 1.00 C HETATM 1173 CAB HEM A 103 8.241 -0.560 11.295 1.00 1.00 C HETATM 1174 CBB HEM A 103 9.072 -1.771 11.711 1.00 1.00 C HETATM 1175 C1C HEM A 103 5.091 0.075 8.016 1.00 1.00 C HETATM 1176 C2C HEM A 103 5.327 0.707 6.739 1.00 1.00 C HETATM 1177 C3C HEM A 103 4.145 0.738 6.088 1.00 1.00 C HETATM 1178 C4C HEM A 103 3.166 0.127 6.956 1.00 1.00 C HETATM 1179 CMC HEM A 103 6.657 1.218 6.266 1.00 1.00 C HETATM 1180 CAC HEM A 103 3.856 1.293 4.723 1.00 1.00 C HETATM 1181 CBC HEM A 103 4.783 0.766 3.631 1.00 1.00 C HETATM 1182 C1D HEM A 103 0.870 -0.656 7.454 1.00 1.00 C HETATM 1183 C2D HEM A 103 -0.438 -1.081 7.015 1.00 1.00 C HETATM 1184 C3D HEM A 103 -1.052 -1.641 8.078 1.00 1.00 C HETATM 1185 C4D HEM A 103 -0.130 -1.569 9.187 1.00 1.00 C HETATM 1186 CMD HEM A 103 -0.973 -0.911 5.623 1.00 1.00 C HETATM 1187 CAD HEM A 103 -2.428 -2.238 8.143 1.00 1.00 C HETATM 1188 CBD HEM A 103 -3.547 -1.251 7.826 1.00 1.00 C HETATM 1189 CGD HEM A 103 -4.574 -1.870 6.888 1.00 1.00 C HETATM 1190 O1D HEM A 103 -5.773 -1.579 7.088 1.00 1.00 O HETATM 1191 O2D HEM A 103 -4.140 -2.623 5.989 1.00 1.00 O HETATM 1192 NA HEM A 103 1.847 -1.692 11.436 1.00 1.00 N HETATM 1193 NB HEM A 103 4.506 -0.775 10.912 1.00 1.00 N HETATM 1194 NC HEM A 103 3.759 -0.277 8.139 1.00 1.00 N HETATM 1195 ND HEM A 103 1.049 -0.961 8.792 1.00 1.00 N HETATM 1196 FE HEM A 103 2.856 -0.831 9.817 1.00 1.00 FE HETATM 0 HMA1 HEM A 103 0.556 -2.246 15.620 1.00 1.00 H new HETATM 0 HMA2 HEM A 103 2.275 -1.809 15.475 1.00 1.00 H new HETATM 0 HMA3 HEM A 103 1.766 -3.503 15.272 1.00 1.00 H new HETATM 0 HMB1 HEM A 103 5.935 -1.336 14.674 1.00 1.00 H new HETATM 0 HMB2 HEM A 103 7.575 -0.989 14.078 1.00 1.00 H new HETATM 0 HMB3 HEM A 103 6.889 -2.621 13.897 1.00 1.00 H new HETATM 0 HMC1 HEM A 103 7.250 1.537 7.123 1.00 1.00 H new HETATM 0 HMC2 HEM A 103 6.504 2.064 5.596 1.00 1.00 H new HETATM 0 HMC3 HEM A 103 7.184 0.425 5.735 1.00 1.00 H new HETATM 0 HMD1 HEM A 103 -1.672 -1.717 5.401 1.00 1.00 H new HETATM 0 HMD2 HEM A 103 -0.149 -0.939 4.910 1.00 1.00 H new HETATM 0 HMD3 HEM A 103 -1.488 0.047 5.545 1.00 1.00 H new HETATM 0 HBB1 HEM A 103 10.159 -1.740 11.631 1.00 1.00 H new HETATM 0 HBB2 HEM A 103 8.579 -2.667 12.088 1.00 1.00 H new HETATM 0 HBC1 HEM A 103 4.661 1.104 2.602 1.00 1.00 H new HETATM 0 HBC2 HEM A 103 5.567 0.051 3.880 1.00 1.00 H new HETATM 0 HBA1 HEM A 103 -2.974 -1.667 12.918 1.00 1.00 H new HETATM 0 HBA2 HEM A 103 -1.625 -0.670 13.426 1.00 1.00 H new HETATM 0 HAA1 HEM A 103 -1.080 -3.346 14.299 1.00 1.00 H new HETATM 0 HAA2 HEM A 103 -1.628 -3.448 12.638 1.00 1.00 H new HETATM 0 HBD1 HEM A 103 -3.127 -0.354 7.370 1.00 1.00 H new HETATM 0 HBD2 HEM A 103 -4.035 -0.940 8.750 1.00 1.00 H new HETATM 0 HAD1 HEM A 103 -2.589 -2.646 9.141 1.00 1.00 H new HETATM 0 HAD2 HEM A 103 -2.484 -3.072 7.444 1.00 1.00 H new HETATM 0 HHA HEM A 103 -1.379 -2.461 10.671 1.00 1.00 H new HETATM 0 HHB HEM A 103 3.938 -1.678 14.141 1.00 1.00 H new HETATM 0 HHC HEM A 103 7.097 0.231 8.931 1.00 1.00 H new HETATM 0 HHD HEM A 103 1.463 0.360 5.689 1.00 1.00 H new HETATM 0 HAB HEM A 103 8.683 0.360 10.912 1.00 1.00 H new HETATM 0 HAC HEM A 103 3.056 2.008 4.529 1.00 1.00 H new