USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=11 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 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 49 LYS NZ :NH3+ -149:sc= 0.0656 (180deg=-0.0533) USER MOD Set 2.1: A 10 ASN : amide:sc= -1.98 K(o=-2.1,f=-4.3!) USER MOD Set 2.2: A 103 HEM CMA :methyl 150:sc= -0.155 (180deg=-0.111) USER MOD Single : A 1 ALA N :NH3+ 128:sc= 0.0792 (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+ -167:sc=-0.00469 (180deg=-0.0337) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -8.34! C(o=-8.3!,f=-17!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -160:sc= -1.83! (180deg=-2.71) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 162:sc= -0.0168 (180deg=-0.471) 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= -0.0549 (180deg=-0.125) USER MOD Single : A 101 HEM CMB :methyl -30:sc= -0.597 (180deg=-2.82!) USER MOD Single : A 101 HEM CMC :methyl -30:sc= -1.74 (180deg=-3.7!) USER MOD Single : A 101 HEM CMD :methyl 150:sc= -0.821 (180deg=-0.821) USER MOD Single : A 102 HEM CMA :methyl 150:sc= -0.117 (180deg=-0.117) USER MOD Single : A 102 HEM CMB :methyl 150:sc= -6.55! (180deg=-6.55!) USER MOD Single : A 102 HEM CMC :methyl 150:sc= -11.1! (180deg=-11.1!) USER MOD Single : A 102 HEM CMD :methyl 150:sc= -0.0675 (180deg=-0.0675) USER MOD Single : A 103 HEM CMB :methyl -30:sc= -0.231 (180deg=-1.48) USER MOD Single : A 103 HEM CMC :methyl -30:sc= -3.67! (180deg=-5.43!) USER MOD Single : A 103 HEM CMD :methyl 150:sc= -4.42! (180deg=-4.42!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.660 10.913 -3.285 1.00 1.00 N ATOM 2 CA ALA A 1 -11.207 10.932 -3.293 1.00 1.00 C ATOM 3 C ALA A 1 -10.682 9.501 -3.426 1.00 1.00 C ATOM 4 O ALA A 1 -11.338 8.554 -2.996 1.00 1.00 O ATOM 5 CB ALA A 1 -10.699 11.624 -2.026 1.00 1.00 C ATOM 0 H1 ALA A 1 -13.010 11.440 -2.459 1.00 1.00 H new ATOM 0 H2 ALA A 1 -13.018 11.356 -4.155 1.00 1.00 H new ATOM 0 H3 ALA A 1 -12.994 9.929 -3.235 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.836 11.499 -4.146 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -9.609 11.639 -2.031 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -11.075 12.646 -1.994 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -11.050 11.081 -1.149 1.00 1.00 H new ATOM 11 N ASP A 2 -9.505 9.390 -4.024 1.00 1.00 N ATOM 12 CA ASP A 2 -8.885 8.090 -4.219 1.00 1.00 C ATOM 13 C ASP A 2 -8.217 7.648 -2.916 1.00 1.00 C ATOM 14 O ASP A 2 -8.189 6.459 -2.601 1.00 1.00 O ATOM 15 CB ASP A 2 -7.809 8.151 -5.305 1.00 1.00 C ATOM 16 CG ASP A 2 -7.844 7.003 -6.315 1.00 1.00 C ATOM 17 OD1 ASP A 2 -7.529 7.185 -7.500 1.00 1.00 O ATOM 18 OD2 ASP A 2 -8.219 5.865 -5.835 1.00 1.00 O ATOM 0 H ASP A 2 -8.964 10.178 -4.380 1.00 1.00 H new ATOM 0 HA ASP A 2 -9.662 7.387 -4.520 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -7.911 9.093 -5.844 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -6.830 8.163 -4.825 1.00 1.00 H new ATOM 24 N ASP A 3 -7.696 8.628 -2.192 1.00 1.00 N ATOM 25 CA ASP A 3 -7.030 8.354 -0.930 1.00 1.00 C ATOM 26 C ASP A 3 -7.794 7.260 -0.183 1.00 1.00 C ATOM 27 O ASP A 3 -8.912 7.482 0.279 1.00 1.00 O ATOM 28 CB ASP A 3 -7.000 9.600 -0.042 1.00 1.00 C ATOM 29 CG ASP A 3 -6.352 9.400 1.330 1.00 1.00 C ATOM 30 OD1 ASP A 3 -5.908 8.294 1.671 1.00 1.00 O ATOM 31 OD2 ASP A 3 -6.314 10.454 2.073 1.00 1.00 O ATOM 0 H ASP A 3 -7.722 9.613 -2.455 1.00 1.00 H new ATOM 0 HA ASP A 3 -6.009 8.041 -1.148 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -6.465 10.390 -0.568 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -8.022 9.949 0.103 1.00 1.00 H new ATOM 37 N ILE A 4 -7.160 6.100 -0.086 1.00 1.00 N ATOM 38 CA ILE A 4 -7.766 4.970 0.597 1.00 1.00 C ATOM 39 C ILE A 4 -7.087 4.778 1.955 1.00 1.00 C ATOM 40 O ILE A 4 -6.129 4.016 2.072 1.00 1.00 O ATOM 41 CB ILE A 4 -7.729 3.725 -0.290 1.00 1.00 C ATOM 42 CG1 ILE A 4 -8.950 3.672 -1.212 1.00 1.00 C ATOM 43 CG2 ILE A 4 -7.593 2.455 0.552 1.00 1.00 C ATOM 44 CD1 ILE A 4 -8.910 2.430 -2.105 1.00 1.00 C ATOM 0 H ILE A 4 -6.232 5.919 -0.469 1.00 1.00 H new ATOM 0 HA ILE A 4 -8.821 5.163 0.791 1.00 1.00 H new ATOM 0 HB ILE A 4 -6.846 3.786 -0.926 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -9.861 3.665 -0.614 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -8.982 4.569 -1.831 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -7.569 1.585 -0.104 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -6.670 2.499 1.130 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -8.443 2.375 1.230 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -9.789 2.417 -2.750 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -8.010 2.452 -2.719 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -8.903 1.535 -1.483 1.00 1.00 H new ATOM 56 N VAL A 5 -7.611 5.482 2.948 1.00 1.00 N ATOM 57 CA VAL A 5 -7.068 5.398 4.293 1.00 1.00 C ATOM 58 C VAL A 5 -7.374 4.017 4.877 1.00 1.00 C ATOM 59 O VAL A 5 -8.530 3.598 4.916 1.00 1.00 O ATOM 60 CB VAL A 5 -7.613 6.543 5.149 1.00 1.00 C ATOM 61 CG1 VAL A 5 -6.904 6.599 6.504 1.00 1.00 C ATOM 62 CG2 VAL A 5 -7.497 7.880 4.415 1.00 1.00 C ATOM 0 H VAL A 5 -8.406 6.113 2.848 1.00 1.00 H new ATOM 0 HA VAL A 5 -5.984 5.510 4.275 1.00 1.00 H new ATOM 0 HB VAL A 5 -8.671 6.351 5.331 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -7.310 7.421 7.093 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -7.060 5.660 7.035 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -5.836 6.755 6.350 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -7.891 8.677 5.046 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -6.450 8.081 4.189 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -8.067 7.836 3.487 1.00 1.00 H new ATOM 72 N LEU A 6 -6.318 3.348 5.315 1.00 1.00 N ATOM 73 CA LEU A 6 -6.459 2.023 5.895 1.00 1.00 C ATOM 74 C LEU A 6 -6.764 2.155 7.389 1.00 1.00 C ATOM 75 O LEU A 6 -6.995 3.257 7.884 1.00 1.00 O ATOM 76 CB LEU A 6 -5.225 1.171 5.592 1.00 1.00 C ATOM 77 CG LEU A 6 -5.060 0.721 4.139 1.00 1.00 C ATOM 78 CD1 LEU A 6 -3.631 0.247 3.871 1.00 1.00 C ATOM 79 CD2 LEU A 6 -6.096 -0.344 3.774 1.00 1.00 C ATOM 0 H LEU A 6 -5.361 3.699 5.280 1.00 1.00 H new ATOM 0 HA LEU A 6 -7.300 1.497 5.443 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -4.338 1.736 5.879 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -5.256 0.284 6.225 1.00 1.00 H new ATOM 0 HG LEU A 6 -5.240 1.580 3.493 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -3.541 -0.067 2.831 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -2.935 1.063 4.065 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -3.398 -0.593 4.525 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -5.957 -0.646 2.736 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -5.972 -1.210 4.424 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.098 0.065 3.901 1.00 1.00 H new ATOM 91 N LYS A 7 -6.755 1.015 8.064 1.00 1.00 N ATOM 92 CA LYS A 7 -7.028 0.989 9.491 1.00 1.00 C ATOM 93 C LYS A 7 -5.748 0.621 10.244 1.00 1.00 C ATOM 94 O LYS A 7 -5.200 -0.463 10.051 1.00 1.00 O ATOM 95 CB LYS A 7 -8.208 0.063 9.794 1.00 1.00 C ATOM 96 CG LYS A 7 -7.963 -1.339 9.233 1.00 1.00 C ATOM 97 CD LYS A 7 -8.537 -2.411 10.162 1.00 1.00 C ATOM 98 CE LYS A 7 -7.430 -3.076 10.982 1.00 1.00 C ATOM 99 NZ LYS A 7 -7.122 -2.270 12.185 1.00 1.00 N ATOM 0 H LYS A 7 -6.563 0.103 7.649 1.00 1.00 H new ATOM 0 HA LYS A 7 -7.330 1.977 9.839 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -8.362 0.006 10.871 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -9.120 0.477 9.363 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -8.420 -1.425 8.247 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -6.893 -1.501 9.103 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -9.271 -1.962 10.832 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -9.061 -3.164 9.574 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -7.740 -4.078 11.278 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -6.534 -3.187 10.372 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -6.369 -2.735 12.731 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -6.806 -1.322 11.896 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -7.975 -2.186 12.774 1.00 1.00 H new ATOM 112 N ALA A 8 -5.310 1.544 11.087 1.00 1.00 N ATOM 113 CA ALA A 8 -4.105 1.331 11.870 1.00 1.00 C ATOM 114 C ALA A 8 -4.051 2.356 13.005 1.00 1.00 C ATOM 115 O ALA A 8 -3.794 3.535 12.770 1.00 1.00 O ATOM 116 CB ALA A 8 -2.881 1.409 10.956 1.00 1.00 C ATOM 0 H ALA A 8 -5.768 2.441 11.245 1.00 1.00 H new ATOM 0 HA ALA A 8 -4.112 0.339 12.322 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -1.977 1.249 11.544 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -2.953 0.642 10.185 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -2.839 2.392 10.487 1.00 1.00 H new ATOM 122 N LYS A 9 -4.297 1.868 14.212 1.00 1.00 N ATOM 123 CA LYS A 9 -4.280 2.726 15.384 1.00 1.00 C ATOM 124 C LYS A 9 -2.852 3.215 15.632 1.00 1.00 C ATOM 125 O LYS A 9 -2.630 4.107 16.450 1.00 1.00 O ATOM 126 CB LYS A 9 -4.901 2.008 16.584 1.00 1.00 C ATOM 127 CG LYS A 9 -6.401 2.293 16.678 1.00 1.00 C ATOM 128 CD LYS A 9 -6.764 2.869 18.049 1.00 1.00 C ATOM 129 CE LYS A 9 -6.814 4.398 18.005 1.00 1.00 C ATOM 130 NZ LYS A 9 -8.216 4.871 17.982 1.00 1.00 N ATOM 0 H LYS A 9 -4.509 0.889 14.403 1.00 1.00 H new ATOM 0 HA LYS A 9 -4.896 3.610 15.217 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -4.736 0.934 16.495 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -4.408 2.331 17.501 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -6.691 2.995 15.896 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -6.961 1.374 16.506 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -7.731 2.479 18.367 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -6.031 2.547 18.789 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -6.300 4.810 18.873 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -6.288 4.760 17.122 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -8.231 5.910 17.952 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -8.696 4.493 17.140 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -8.707 4.542 18.837 1.00 1.00 H new ATOM 143 N ASN A 10 -1.919 2.610 14.911 1.00 1.00 N ATOM 144 CA ASN A 10 -0.519 2.973 15.042 1.00 1.00 C ATOM 145 C ASN A 10 -0.211 4.148 14.111 1.00 1.00 C ATOM 146 O ASN A 10 0.923 4.622 14.058 1.00 1.00 O ATOM 147 CB ASN A 10 0.391 1.807 14.649 1.00 1.00 C ATOM 148 CG ASN A 10 0.142 0.591 15.544 1.00 1.00 C ATOM 149 OD1 ASN A 10 -0.912 -0.023 15.521 1.00 1.00 O ATOM 150 ND2 ASN A 10 1.168 0.279 16.330 1.00 1.00 N ATOM 0 H ASN A 10 -2.106 1.870 14.234 1.00 1.00 H new ATOM 0 HA ASN A 10 -0.336 3.239 16.083 1.00 1.00 H new ATOM 0 HB2 ASN A 10 0.215 1.539 13.607 1.00 1.00 H new ATOM 0 HB3 ASN A 10 1.434 2.113 14.727 1.00 1.00 H new ATOM 0 HD21 ASN A 10 1.101 -0.517 16.964 1.00 1.00 H new ATOM 0 HD22 ASN A 10 2.022 0.836 16.299 1.00 1.00 H new ATOM 157 N GLY A 11 -1.241 4.583 13.401 1.00 1.00 N ATOM 158 CA GLY A 11 -1.095 5.694 12.475 1.00 1.00 C ATOM 159 C GLY A 11 -1.586 5.310 11.077 1.00 1.00 C ATOM 160 O GLY A 11 -0.962 4.496 10.398 1.00 1.00 O ATOM 0 H GLY A 11 -2.180 4.187 13.448 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -1.659 6.553 12.839 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -0.049 5.997 12.427 1.00 1.00 H new ATOM 164 N ASP A 12 -2.698 5.916 10.689 1.00 1.00 N ATOM 165 CA ASP A 12 -3.280 5.648 9.385 1.00 1.00 C ATOM 166 C ASP A 12 -2.173 5.647 8.328 1.00 1.00 C ATOM 167 O ASP A 12 -1.148 6.305 8.498 1.00 1.00 O ATOM 168 CB ASP A 12 -4.297 6.725 9.003 1.00 1.00 C ATOM 169 CG ASP A 12 -5.761 6.286 9.073 1.00 1.00 C ATOM 170 OD1 ASP A 12 -6.067 5.085 9.104 1.00 1.00 O ATOM 171 OD2 ASP A 12 -6.618 7.250 9.096 1.00 1.00 O ATOM 0 H ASP A 12 -3.212 6.592 11.255 1.00 1.00 H new ATOM 0 HA ASP A 12 -3.780 4.681 9.432 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -4.159 7.583 9.661 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -4.083 7.063 7.989 1.00 1.00 H new ATOM 177 N VAL A 13 -2.419 4.901 7.260 1.00 1.00 N ATOM 178 CA VAL A 13 -1.456 4.806 6.177 1.00 1.00 C ATOM 179 C VAL A 13 -2.108 5.283 4.877 1.00 1.00 C ATOM 180 O VAL A 13 -2.647 4.479 4.118 1.00 1.00 O ATOM 181 CB VAL A 13 -0.911 3.380 6.084 1.00 1.00 C ATOM 182 CG1 VAL A 13 0.196 3.283 5.033 1.00 1.00 C ATOM 183 CG2 VAL A 13 -0.417 2.892 7.447 1.00 1.00 C ATOM 0 H VAL A 13 -3.271 4.357 7.122 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.601 5.454 6.369 1.00 1.00 H new ATOM 0 HB VAL A 13 -1.728 2.729 5.771 1.00 1.00 H new ATOM 0 HG11 VAL A 13 0.566 2.259 4.987 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.201 3.569 4.059 1.00 1.00 H new ATOM 0 HG13 VAL A 13 1.013 3.952 5.303 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -0.035 1.876 7.353 1.00 1.00 H new ATOM 0 HG22 VAL A 13 0.378 3.547 7.802 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -1.242 2.905 8.159 1.00 1.00 H new ATOM 193 N LYS A 14 -2.039 6.588 4.661 1.00 1.00 N ATOM 194 CA LYS A 14 -2.616 7.181 3.467 1.00 1.00 C ATOM 195 C LYS A 14 -1.937 6.589 2.230 1.00 1.00 C ATOM 196 O LYS A 14 -0.752 6.822 1.997 1.00 1.00 O ATOM 197 CB LYS A 14 -2.543 8.708 3.538 1.00 1.00 C ATOM 198 CG LYS A 14 -2.857 9.335 2.178 1.00 1.00 C ATOM 199 CD LYS A 14 -1.865 10.452 1.847 1.00 1.00 C ATOM 200 CE LYS A 14 -1.008 10.082 0.634 1.00 1.00 C ATOM 201 NZ LYS A 14 0.379 10.564 0.814 1.00 1.00 N ATOM 0 H LYS A 14 -1.592 7.252 5.293 1.00 1.00 H new ATOM 0 HA LYS A 14 -3.676 6.939 3.395 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -3.248 9.075 4.283 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -1.548 9.014 3.863 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -2.820 8.569 1.403 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -3.871 9.734 2.183 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -2.406 11.376 1.646 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -1.222 10.640 2.707 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -1.009 9.001 0.497 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -1.437 10.518 -0.268 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 0.887 10.505 -0.092 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 0.364 11.552 1.139 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 0.863 9.974 1.521 1.00 1.00 H new ATOM 214 N LEU A 15 -2.718 5.835 1.470 1.00 1.00 N ATOM 215 CA LEU A 15 -2.207 5.209 0.263 1.00 1.00 C ATOM 216 C LEU A 15 -2.755 5.946 -0.961 1.00 1.00 C ATOM 217 O LEU A 15 -3.921 5.826 -1.328 1.00 1.00 O ATOM 218 CB LEU A 15 -2.515 3.710 0.266 1.00 1.00 C ATOM 219 CG LEU A 15 -2.475 3.014 -1.096 1.00 1.00 C ATOM 220 CD1 LEU A 15 -1.073 2.479 -1.397 1.00 1.00 C ATOM 221 CD2 LEU A 15 -3.538 1.918 -1.184 1.00 1.00 C ATOM 0 H LEU A 15 -3.700 5.644 1.667 1.00 1.00 H new ATOM 0 HA LEU A 15 -1.121 5.289 0.224 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -1.803 3.214 0.926 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -3.505 3.564 0.698 1.00 1.00 H new ATOM 0 HG LEU A 15 -2.710 3.752 -1.863 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -1.072 1.989 -2.371 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -0.362 3.305 -1.406 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -0.785 1.761 -0.629 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -3.487 1.440 -2.162 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -3.359 1.175 -0.407 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -4.526 2.357 -1.046 1.00 1.00 H new ATOM 233 N PRO A 16 -1.872 6.725 -1.592 1.00 1.00 N ATOM 234 CA PRO A 16 -2.173 7.510 -2.769 1.00 1.00 C ATOM 235 C PRO A 16 -2.631 6.591 -3.893 1.00 1.00 C ATOM 236 O PRO A 16 -1.951 6.519 -4.915 1.00 1.00 O ATOM 237 CB PRO A 16 -0.858 8.199 -3.127 1.00 1.00 C ATOM 238 CG PRO A 16 -0.017 8.146 -1.914 1.00 1.00 C ATOM 239 CD PRO A 16 -0.493 6.891 -1.187 1.00 1.00 C ATOM 0 HA PRO A 16 -2.972 8.233 -2.604 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -0.370 7.695 -3.961 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -1.031 9.230 -3.435 1.00 1.00 H new ATOM 0 HG2 PRO A 16 1.042 8.084 -2.165 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -0.147 9.037 -1.299 1.00 1.00 H new ATOM 0 HD2 PRO A 16 0.107 6.024 -1.463 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -0.410 7.005 -0.106 1.00 1.00 H new ATOM 247 N HIS A 17 -3.752 5.916 -3.688 1.00 1.00 N ATOM 248 CA HIS A 17 -4.275 5.010 -4.697 1.00 1.00 C ATOM 249 C HIS A 17 -4.079 5.621 -6.086 1.00 1.00 C ATOM 250 O HIS A 17 -3.485 4.997 -6.964 1.00 1.00 O ATOM 251 CB HIS A 17 -5.735 4.657 -4.405 1.00 1.00 C ATOM 252 CG HIS A 17 -6.256 3.488 -5.207 1.00 1.00 C ATOM 253 ND1 HIS A 17 -7.174 3.633 -6.232 1.00 1.00 N ATOM 254 CD2 HIS A 17 -5.977 2.156 -5.124 1.00 1.00 C ATOM 255 CE1 HIS A 17 -7.430 2.435 -6.736 1.00 1.00 C ATOM 256 NE2 HIS A 17 -6.688 1.520 -6.048 1.00 1.00 N ATOM 0 H HIS A 17 -4.313 5.978 -2.838 1.00 1.00 H new ATOM 0 HA HIS A 17 -3.722 4.071 -4.670 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -5.838 4.431 -3.344 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -6.357 5.529 -4.607 1.00 1.00 H new ATOM 0 HD1 HIS A 17 -7.584 4.513 -6.546 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -5.294 1.696 -4.425 1.00 1.00 H new ATOM 0 HE1 HIS A 17 -8.107 2.220 -7.549 1.00 1.00 H new ATOM 264 N LYS A 18 -4.590 6.833 -6.242 1.00 1.00 N ATOM 265 CA LYS A 18 -4.478 7.535 -7.509 1.00 1.00 C ATOM 266 C LYS A 18 -3.011 7.566 -7.943 1.00 1.00 C ATOM 267 O LYS A 18 -2.676 7.126 -9.041 1.00 1.00 O ATOM 268 CB LYS A 18 -5.121 8.921 -7.413 1.00 1.00 C ATOM 269 CG LYS A 18 -5.121 9.621 -8.773 1.00 1.00 C ATOM 270 CD LYS A 18 -5.997 8.868 -9.777 1.00 1.00 C ATOM 271 CE LYS A 18 -5.141 8.084 -10.773 1.00 1.00 C ATOM 272 NZ LYS A 18 -5.999 7.351 -11.730 1.00 1.00 N ATOM 0 H LYS A 18 -5.083 7.347 -5.512 1.00 1.00 H new ATOM 0 HA LYS A 18 -5.029 7.007 -8.287 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -6.144 8.827 -7.049 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -4.579 9.528 -6.688 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -5.486 10.642 -8.661 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -4.101 9.687 -9.152 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -6.660 8.185 -9.246 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -6.630 9.574 -10.314 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -4.484 8.766 -11.313 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -4.501 7.382 -10.238 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -5.402 6.824 -12.399 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -6.608 6.686 -11.212 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -6.592 8.027 -12.253 1.00 1.00 H new ATOM 285 N ALA A 19 -2.177 8.090 -7.057 1.00 1.00 N ATOM 286 CA ALA A 19 -0.754 8.185 -7.335 1.00 1.00 C ATOM 287 C ALA A 19 -0.219 6.801 -7.711 1.00 1.00 C ATOM 288 O ALA A 19 0.449 6.647 -8.732 1.00 1.00 O ATOM 289 CB ALA A 19 -0.035 8.777 -6.121 1.00 1.00 C ATOM 0 H ALA A 19 -2.459 8.453 -6.147 1.00 1.00 H new ATOM 0 HA ALA A 19 -0.571 8.850 -8.179 1.00 1.00 H new ATOM 0 HB1 ALA A 19 1.033 8.848 -6.329 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -0.431 9.771 -5.912 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -0.193 8.134 -5.255 1.00 1.00 H new ATOM 295 N HIS A 20 -0.534 5.830 -6.866 1.00 1.00 N ATOM 296 CA HIS A 20 -0.094 4.465 -7.097 1.00 1.00 C ATOM 297 C HIS A 20 -0.716 3.937 -8.391 1.00 1.00 C ATOM 298 O HIS A 20 -0.174 3.030 -9.021 1.00 1.00 O ATOM 299 CB HIS A 20 -0.404 3.582 -5.887 1.00 1.00 C ATOM 300 CG HIS A 20 0.609 3.690 -4.772 1.00 1.00 C ATOM 301 ND1 HIS A 20 0.595 4.715 -3.843 1.00 1.00 N ATOM 302 CD2 HIS A 20 1.666 2.891 -4.448 1.00 1.00 C ATOM 303 CE1 HIS A 20 1.602 4.532 -3.002 1.00 1.00 C ATOM 304 NE2 HIS A 20 2.265 3.401 -3.379 1.00 1.00 N ATOM 0 H HIS A 20 -1.089 5.962 -6.020 1.00 1.00 H new ATOM 0 HA HIS A 20 0.989 4.445 -7.221 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -1.387 3.848 -5.498 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -0.461 2.543 -6.213 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -0.077 5.482 -3.811 1.00 1.00 H new ATOM 0 HD2 HIS A 20 1.965 1.995 -4.972 1.00 1.00 H new ATOM 0 HE1 HIS A 20 1.854 5.167 -2.165 1.00 1.00 H new ATOM 312 N GLN A 21 -1.847 4.528 -8.750 1.00 1.00 N ATOM 313 CA GLN A 21 -2.549 4.129 -9.958 1.00 1.00 C ATOM 314 C GLN A 21 -1.858 4.713 -11.192 1.00 1.00 C ATOM 315 O GLN A 21 -2.210 4.378 -12.322 1.00 1.00 O ATOM 316 CB GLN A 21 -4.019 4.550 -9.902 1.00 1.00 C ATOM 317 CG GLN A 21 -4.840 3.564 -9.069 1.00 1.00 C ATOM 318 CD GLN A 21 -6.222 4.137 -8.747 1.00 1.00 C ATOM 319 OE1 GLN A 21 -6.364 5.134 -8.059 1.00 1.00 O ATOM 320 NE2 GLN A 21 -7.229 3.453 -9.282 1.00 1.00 N ATOM 0 H GLN A 21 -2.294 5.280 -8.225 1.00 1.00 H new ATOM 0 HA GLN A 21 -2.519 3.042 -10.030 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -4.099 5.549 -9.473 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -4.424 4.604 -10.912 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -4.949 2.626 -9.613 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -4.312 3.336 -8.143 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -7.040 2.626 -9.849 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -8.191 3.755 -9.126 1.00 1.00 H new ATOM 329 N LYS A 22 -0.886 5.576 -10.933 1.00 1.00 N ATOM 330 CA LYS A 22 -0.142 6.210 -12.009 1.00 1.00 C ATOM 331 C LYS A 22 1.289 5.670 -12.020 1.00 1.00 C ATOM 332 O LYS A 22 1.857 5.429 -13.084 1.00 1.00 O ATOM 333 CB LYS A 22 -0.224 7.733 -11.891 1.00 1.00 C ATOM 334 CG LYS A 22 0.499 8.413 -13.056 1.00 1.00 C ATOM 335 CD LYS A 22 1.932 8.784 -12.671 1.00 1.00 C ATOM 336 CE LYS A 22 2.790 9.024 -13.915 1.00 1.00 C ATOM 337 NZ LYS A 22 4.215 8.753 -13.621 1.00 1.00 N ATOM 0 H LYS A 22 -0.597 5.851 -9.994 1.00 1.00 H new ATOM 0 HA LYS A 22 -0.583 5.964 -12.975 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -1.268 8.044 -11.875 1.00 1.00 H new ATOM 0 HB3 LYS A 22 0.218 8.053 -10.947 1.00 1.00 H new ATOM 0 HG2 LYS A 22 0.511 7.747 -13.919 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -0.045 9.310 -13.353 1.00 1.00 H new ATOM 0 HD2 LYS A 22 1.925 9.681 -12.051 1.00 1.00 H new ATOM 0 HD3 LYS A 22 2.370 7.986 -12.072 1.00 1.00 H new ATOM 0 HE2 LYS A 22 2.451 8.381 -14.727 1.00 1.00 H new ATOM 0 HE3 LYS A 22 2.672 10.054 -14.253 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 4.784 8.921 -14.475 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 4.539 9.384 -12.860 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 4.325 7.764 -13.320 1.00 1.00 H new ATOM 350 N ALA A 23 1.831 5.496 -10.824 1.00 1.00 N ATOM 351 CA ALA A 23 3.186 4.988 -10.683 1.00 1.00 C ATOM 352 C ALA A 23 3.212 3.505 -11.058 1.00 1.00 C ATOM 353 O ALA A 23 4.197 3.018 -11.611 1.00 1.00 O ATOM 354 CB ALA A 23 3.679 5.238 -9.257 1.00 1.00 C ATOM 0 H ALA A 23 1.357 5.697 -9.944 1.00 1.00 H new ATOM 0 HA ALA A 23 3.864 5.510 -11.358 1.00 1.00 H new ATOM 0 HB1 ALA A 23 4.695 4.857 -9.151 1.00 1.00 H new ATOM 0 HB2 ALA A 23 3.669 6.308 -9.051 1.00 1.00 H new ATOM 0 HB3 ALA A 23 3.025 4.727 -8.551 1.00 1.00 H new ATOM 360 N VAL A 24 2.118 2.828 -10.741 1.00 1.00 N ATOM 361 CA VAL A 24 2.003 1.411 -11.038 1.00 1.00 C ATOM 362 C VAL A 24 0.952 1.206 -12.132 1.00 1.00 C ATOM 363 O VAL A 24 -0.224 0.966 -11.870 1.00 1.00 O ATOM 364 CB VAL A 24 1.693 0.632 -9.758 1.00 1.00 C ATOM 365 CG1 VAL A 24 1.287 -0.809 -10.077 1.00 1.00 C ATOM 366 CG2 VAL A 24 2.880 0.666 -8.794 1.00 1.00 C ATOM 0 H VAL A 24 1.303 3.235 -10.281 1.00 1.00 H new ATOM 0 HA VAL A 24 2.948 1.023 -11.419 1.00 1.00 H new ATOM 0 HB VAL A 24 0.849 1.117 -9.267 1.00 1.00 H new ATOM 0 HG11 VAL A 24 1.072 -1.340 -9.150 1.00 1.00 H new ATOM 0 HG12 VAL A 24 0.398 -0.805 -10.707 1.00 1.00 H new ATOM 0 HG13 VAL A 24 2.101 -1.309 -10.601 1.00 1.00 H new ATOM 0 HG21 VAL A 24 2.633 0.105 -7.893 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.751 0.218 -9.273 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.103 1.699 -8.528 1.00 1.00 H new ATOM 376 N PRO A 25 1.411 1.308 -13.381 1.00 1.00 N ATOM 377 CA PRO A 25 0.595 1.150 -14.565 1.00 1.00 C ATOM 378 C PRO A 25 0.255 -0.321 -14.759 1.00 1.00 C ATOM 379 O PRO A 25 0.494 -0.848 -15.844 1.00 1.00 O ATOM 380 CB PRO A 25 1.463 1.667 -15.711 1.00 1.00 C ATOM 381 CG PRO A 25 2.844 1.482 -15.247 1.00 1.00 C ATOM 382 CD PRO A 25 2.788 1.590 -13.725 1.00 1.00 C ATOM 0 HA PRO A 25 -0.350 1.689 -14.504 1.00 1.00 H new ATOM 0 HB2 PRO A 25 1.277 1.112 -16.630 1.00 1.00 H new ATOM 0 HB3 PRO A 25 1.254 2.715 -15.924 1.00 1.00 H new ATOM 0 HG2 PRO A 25 3.234 0.512 -15.556 1.00 1.00 H new ATOM 0 HG3 PRO A 25 3.503 2.240 -15.669 1.00 1.00 H new ATOM 0 HD2 PRO A 25 3.466 0.879 -13.253 1.00 1.00 H new ATOM 0 HD3 PRO A 25 3.084 2.584 -13.388 1.00 1.00 H new ATOM 390 N ASP A 26 -0.285 -0.946 -13.723 1.00 1.00 N ATOM 391 CA ASP A 26 -0.646 -2.352 -13.802 1.00 1.00 C ATOM 392 C ASP A 26 -1.546 -2.711 -12.618 1.00 1.00 C ATOM 393 O ASP A 26 -1.063 -3.160 -11.580 1.00 1.00 O ATOM 394 CB ASP A 26 0.596 -3.243 -13.739 1.00 1.00 C ATOM 395 CG ASP A 26 1.795 -2.740 -14.546 1.00 1.00 C ATOM 396 OD1 ASP A 26 2.750 -2.178 -13.989 1.00 1.00 O ATOM 397 OD2 ASP A 26 1.722 -2.948 -15.817 1.00 1.00 O ATOM 0 H ASP A 26 -0.481 -0.505 -12.824 1.00 1.00 H new ATOM 0 HA ASP A 26 -1.160 -2.516 -14.749 1.00 1.00 H new ATOM 0 HB2 ASP A 26 0.897 -3.348 -12.697 1.00 1.00 H new ATOM 0 HB3 ASP A 26 0.329 -4.238 -14.095 1.00 1.00 H new ATOM 403 N CYS A 27 -2.839 -2.499 -12.814 1.00 1.00 N ATOM 404 CA CYS A 27 -3.811 -2.794 -11.775 1.00 1.00 C ATOM 405 C CYS A 27 -3.915 -4.314 -11.633 1.00 1.00 C ATOM 406 O CYS A 27 -4.981 -4.890 -11.847 1.00 1.00 O ATOM 407 CB CYS A 27 -5.169 -2.155 -12.073 1.00 1.00 C ATOM 408 SG CYS A 27 -5.087 -0.565 -12.975 1.00 1.00 S ATOM 0 H CYS A 27 -3.236 -2.127 -13.677 1.00 1.00 H new ATOM 0 HA CYS A 27 -3.480 -2.363 -10.830 1.00 1.00 H new ATOM 0 HB2 CYS A 27 -5.765 -2.857 -12.656 1.00 1.00 H new ATOM 0 HB3 CYS A 27 -5.694 -1.996 -11.131 1.00 1.00 H new ATOM 413 N LYS A 28 -2.794 -4.921 -11.273 1.00 1.00 N ATOM 414 CA LYS A 28 -2.745 -6.362 -11.099 1.00 1.00 C ATOM 415 C LYS A 28 -1.759 -6.704 -9.980 1.00 1.00 C ATOM 416 O LYS A 28 -2.109 -7.404 -9.032 1.00 1.00 O ATOM 417 CB LYS A 28 -2.430 -7.052 -12.428 1.00 1.00 C ATOM 418 CG LYS A 28 -1.521 -6.180 -13.296 1.00 1.00 C ATOM 419 CD LYS A 28 -1.275 -6.830 -14.659 1.00 1.00 C ATOM 420 CE LYS A 28 0.213 -6.810 -15.016 1.00 1.00 C ATOM 421 NZ LYS A 28 0.746 -8.189 -15.093 1.00 1.00 N ATOM 0 H LYS A 28 -1.912 -4.440 -11.097 1.00 1.00 H new ATOM 0 HA LYS A 28 -3.720 -6.741 -10.792 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -1.947 -8.011 -12.239 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -3.357 -7.261 -12.962 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -1.976 -5.199 -13.434 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -0.570 -6.022 -12.788 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -1.636 -7.859 -14.646 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -1.844 -6.303 -15.425 1.00 1.00 H new ATOM 0 HE2 LYS A 28 0.357 -6.304 -15.971 1.00 1.00 H new ATOM 0 HE3 LYS A 28 0.765 -6.242 -14.267 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 1.757 -8.157 -15.336 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 0.626 -8.660 -14.173 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 0.231 -8.720 -15.824 1.00 1.00 H new ATOM 434 N LYS A 29 -0.545 -6.194 -10.129 1.00 1.00 N ATOM 435 CA LYS A 29 0.494 -6.437 -9.143 1.00 1.00 C ATOM 436 C LYS A 29 -0.022 -6.045 -7.757 1.00 1.00 C ATOM 437 O LYS A 29 0.491 -6.517 -6.743 1.00 1.00 O ATOM 438 CB LYS A 29 1.788 -5.723 -9.541 1.00 1.00 C ATOM 439 CG LYS A 29 2.220 -6.120 -10.954 1.00 1.00 C ATOM 440 CD LYS A 29 3.212 -7.284 -10.917 1.00 1.00 C ATOM 441 CE LYS A 29 4.397 -7.024 -11.851 1.00 1.00 C ATOM 442 NZ LYS A 29 5.645 -6.867 -11.072 1.00 1.00 N ATOM 0 H LYS A 29 -0.258 -5.614 -10.917 1.00 1.00 H new ATOM 0 HA LYS A 29 0.741 -7.498 -9.104 1.00 1.00 H new ATOM 0 HB2 LYS A 29 1.643 -4.644 -9.491 1.00 1.00 H new ATOM 0 HB3 LYS A 29 2.578 -5.971 -8.832 1.00 1.00 H new ATOM 0 HG2 LYS A 29 1.345 -6.402 -11.540 1.00 1.00 H new ATOM 0 HG3 LYS A 29 2.676 -5.265 -11.453 1.00 1.00 H new ATOM 0 HD2 LYS A 29 3.572 -7.428 -9.898 1.00 1.00 H new ATOM 0 HD3 LYS A 29 2.708 -8.205 -11.210 1.00 1.00 H new ATOM 0 HE2 LYS A 29 4.502 -7.850 -12.554 1.00 1.00 H new ATOM 0 HE3 LYS A 29 4.213 -6.125 -12.440 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 6.439 -6.691 -11.720 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 5.547 -6.064 -10.418 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 5.827 -7.735 -10.529 1.00 1.00 H new ATOM 455 N CYS A 30 -1.032 -5.187 -7.757 1.00 1.00 N ATOM 456 CA CYS A 30 -1.623 -4.727 -6.512 1.00 1.00 C ATOM 457 C CYS A 30 -2.972 -5.427 -6.334 1.00 1.00 C ATOM 458 O CYS A 30 -3.394 -5.692 -5.209 1.00 1.00 O ATOM 459 CB CYS A 30 -1.763 -3.203 -6.482 1.00 1.00 C ATOM 460 SG CYS A 30 -0.475 -2.479 -5.403 1.00 1.00 S ATOM 0 H CYS A 30 -1.456 -4.798 -8.600 1.00 1.00 H new ATOM 0 HA CYS A 30 -0.969 -4.983 -5.679 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -1.672 -2.801 -7.491 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -2.752 -2.927 -6.117 1.00 1.00 H new ATOM 465 N HIS A 31 -3.611 -5.708 -7.460 1.00 1.00 N ATOM 466 CA HIS A 31 -4.903 -6.372 -7.442 1.00 1.00 C ATOM 467 C HIS A 31 -4.765 -7.779 -8.028 1.00 1.00 C ATOM 468 O HIS A 31 -4.597 -7.939 -9.235 1.00 1.00 O ATOM 469 CB HIS A 31 -5.957 -5.530 -8.164 1.00 1.00 C ATOM 470 CG HIS A 31 -6.391 -4.302 -7.400 1.00 1.00 C ATOM 471 ND1 HIS A 31 -7.173 -4.366 -6.260 1.00 1.00 N ATOM 472 CD2 HIS A 31 -6.143 -2.980 -7.624 1.00 1.00 C ATOM 473 CE1 HIS A 31 -7.381 -3.131 -5.826 1.00 1.00 C ATOM 474 NE2 HIS A 31 -6.742 -2.274 -6.673 1.00 1.00 N ATOM 0 H HIS A 31 -3.258 -5.488 -8.391 1.00 1.00 H new ATOM 0 HA HIS A 31 -5.248 -6.476 -6.413 1.00 1.00 H new ATOM 0 HB2 HIS A 31 -5.561 -5.222 -9.132 1.00 1.00 H new ATOM 0 HB3 HIS A 31 -6.831 -6.151 -8.360 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -7.529 -5.218 -5.827 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -5.558 -2.576 -8.437 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -7.955 -2.852 -4.955 1.00 1.00 H new ATOM 482 N GLU A 32 -4.841 -8.763 -7.144 1.00 1.00 N ATOM 483 CA GLU A 32 -4.726 -10.151 -7.558 1.00 1.00 C ATOM 484 C GLU A 32 -5.990 -10.590 -8.300 1.00 1.00 C ATOM 485 O GLU A 32 -6.146 -10.308 -9.487 1.00 1.00 O ATOM 486 CB GLU A 32 -4.451 -11.060 -6.358 1.00 1.00 C ATOM 487 CG GLU A 32 -4.384 -12.528 -6.786 1.00 1.00 C ATOM 488 CD GLU A 32 -2.984 -12.887 -7.290 1.00 1.00 C ATOM 489 OE1 GLU A 32 -1.983 -12.449 -6.705 1.00 1.00 O ATOM 490 OE2 GLU A 32 -2.959 -13.652 -8.328 1.00 1.00 O ATOM 0 H GLU A 32 -4.981 -8.627 -6.143 1.00 1.00 H new ATOM 0 HA GLU A 32 -3.880 -10.238 -8.239 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -3.511 -10.772 -5.887 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -5.235 -10.930 -5.612 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -4.647 -13.169 -5.944 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -5.117 -12.716 -7.571 1.00 1.00 H new ATOM 498 N LYS A 33 -6.860 -11.272 -7.570 1.00 1.00 N ATOM 499 CA LYS A 33 -8.105 -11.752 -8.144 1.00 1.00 C ATOM 500 C LYS A 33 -8.671 -10.688 -9.087 1.00 1.00 C ATOM 501 O LYS A 33 -9.350 -11.013 -10.059 1.00 1.00 O ATOM 502 CB LYS A 33 -9.076 -12.175 -7.041 1.00 1.00 C ATOM 503 CG LYS A 33 -8.759 -13.587 -6.542 1.00 1.00 C ATOM 504 CD LYS A 33 -9.992 -14.489 -6.627 1.00 1.00 C ATOM 505 CE LYS A 33 -9.607 -15.903 -7.065 1.00 1.00 C ATOM 506 NZ LYS A 33 -10.748 -16.829 -6.889 1.00 1.00 N ATOM 0 H LYS A 33 -6.727 -11.504 -6.586 1.00 1.00 H new ATOM 0 HA LYS A 33 -7.929 -12.647 -8.741 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -9.018 -11.471 -6.211 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -10.098 -12.140 -7.418 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -7.951 -14.013 -7.136 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -8.408 -13.542 -5.511 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -10.487 -14.527 -5.657 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -10.707 -14.068 -7.333 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -9.296 -15.894 -8.110 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -8.755 -16.251 -6.481 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -10.470 -17.784 -7.191 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -11.027 -16.850 -5.887 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -11.551 -16.504 -7.465 1.00 1.00 H new ATOM 519 N GLY A 34 -8.370 -9.438 -8.765 1.00 1.00 N ATOM 520 CA GLY A 34 -8.840 -8.324 -9.571 1.00 1.00 C ATOM 521 C GLY A 34 -9.014 -7.066 -8.718 1.00 1.00 C ATOM 522 O GLY A 34 -8.812 -7.066 -7.506 1.00 1.00 O ATOM 0 H GLY A 34 -7.807 -9.172 -7.957 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -8.131 -8.127 -10.375 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -9.789 -8.584 -10.040 1.00 1.00 H new ATOM 526 N PRO A 35 -9.400 -5.978 -9.389 1.00 1.00 N ATOM 527 CA PRO A 35 -9.626 -4.684 -8.784 1.00 1.00 C ATOM 528 C PRO A 35 -10.696 -4.803 -7.708 1.00 1.00 C ATOM 529 O PRO A 35 -11.814 -5.207 -8.024 1.00 1.00 O ATOM 530 CB PRO A 35 -10.100 -3.793 -9.930 1.00 1.00 C ATOM 531 CG PRO A 35 -10.623 -4.787 -11.017 1.00 1.00 C ATOM 532 CD PRO A 35 -9.646 -5.943 -10.814 1.00 1.00 C ATOM 0 HA PRO A 35 -8.735 -4.279 -8.304 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -10.887 -3.114 -9.603 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -9.287 -3.177 -10.315 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -11.658 -5.082 -10.848 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -10.571 -4.370 -12.023 1.00 1.00 H new ATOM 0 HD2 PRO A 35 -10.069 -6.884 -11.165 1.00 1.00 H new ATOM 0 HD3 PRO A 35 -8.723 -5.782 -11.370 1.00 1.00 H new ATOM 540 N GLY A 36 -10.343 -4.459 -6.478 1.00 1.00 N ATOM 541 CA GLY A 36 -11.289 -4.538 -5.378 1.00 1.00 C ATOM 542 C GLY A 36 -10.606 -5.037 -4.103 1.00 1.00 C ATOM 543 O GLY A 36 -9.380 -5.067 -4.022 1.00 1.00 O ATOM 0 H GLY A 36 -9.415 -4.125 -6.219 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -11.728 -3.556 -5.200 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -12.106 -5.209 -5.644 1.00 1.00 H new ATOM 547 N LYS A 37 -11.432 -5.417 -3.138 1.00 1.00 N ATOM 548 CA LYS A 37 -10.923 -5.913 -1.871 1.00 1.00 C ATOM 549 C LYS A 37 -9.844 -6.965 -2.136 1.00 1.00 C ATOM 550 O LYS A 37 -9.917 -7.700 -3.120 1.00 1.00 O ATOM 551 CB LYS A 37 -12.071 -6.418 -0.993 1.00 1.00 C ATOM 552 CG LYS A 37 -12.597 -5.304 -0.086 1.00 1.00 C ATOM 553 CD LYS A 37 -13.257 -5.884 1.167 1.00 1.00 C ATOM 554 CE LYS A 37 -13.816 -4.772 2.056 1.00 1.00 C ATOM 555 NZ LYS A 37 -15.200 -5.090 2.474 1.00 1.00 N ATOM 0 H LYS A 37 -12.449 -5.391 -3.209 1.00 1.00 H new ATOM 0 HA LYS A 37 -10.452 -5.107 -1.308 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -12.879 -6.791 -1.623 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -11.728 -7.255 -0.385 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -11.777 -4.646 0.202 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -13.317 -4.695 -0.632 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -14.060 -6.562 0.879 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -12.529 -6.471 1.727 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -13.184 -4.648 2.935 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -13.801 -3.825 1.517 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -15.565 -4.325 3.077 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -15.804 -5.185 1.632 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -15.205 -5.983 3.007 1.00 1.00 H new ATOM 568 N ILE A 38 -8.868 -7.004 -1.241 1.00 1.00 N ATOM 569 CA ILE A 38 -7.775 -7.953 -1.366 1.00 1.00 C ATOM 570 C ILE A 38 -7.838 -8.952 -0.209 1.00 1.00 C ATOM 571 O ILE A 38 -8.052 -8.565 0.939 1.00 1.00 O ATOM 572 CB ILE A 38 -6.437 -7.219 -1.472 1.00 1.00 C ATOM 573 CG1 ILE A 38 -6.495 -6.125 -2.540 1.00 1.00 C ATOM 574 CG2 ILE A 38 -5.291 -8.202 -1.720 1.00 1.00 C ATOM 575 CD1 ILE A 38 -5.316 -5.161 -2.401 1.00 1.00 C ATOM 0 H ILE A 38 -8.811 -6.393 -0.426 1.00 1.00 H new ATOM 0 HA ILE A 38 -7.872 -8.526 -2.288 1.00 1.00 H new ATOM 0 HB ILE A 38 -6.240 -6.728 -0.519 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -6.484 -6.578 -3.531 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -7.432 -5.575 -2.452 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -4.351 -7.655 -1.791 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.236 -8.912 -0.895 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.469 -8.741 -2.651 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -5.381 -4.393 -3.172 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.344 -4.691 -1.418 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.381 -5.710 -2.514 1.00 1.00 H new ATOM 587 N GLU A 39 -7.649 -10.218 -0.551 1.00 1.00 N ATOM 588 CA GLU A 39 -7.681 -11.276 0.445 1.00 1.00 C ATOM 589 C GLU A 39 -6.259 -11.688 0.829 1.00 1.00 C ATOM 590 O GLU A 39 -5.471 -12.085 -0.028 1.00 1.00 O ATOM 591 CB GLU A 39 -8.484 -12.477 -0.057 1.00 1.00 C ATOM 592 CG GLU A 39 -9.860 -12.536 0.610 1.00 1.00 C ATOM 593 CD GLU A 39 -10.945 -11.999 -0.326 1.00 1.00 C ATOM 594 OE1 GLU A 39 -10.734 -10.980 -1.000 1.00 1.00 O ATOM 595 OE2 GLU A 39 -12.040 -12.680 -0.338 1.00 1.00 O ATOM 0 H GLU A 39 -7.473 -10.535 -1.504 1.00 1.00 H new ATOM 0 HA GLU A 39 -8.180 -10.894 1.336 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -8.603 -12.413 -1.139 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -7.936 -13.397 0.149 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -10.090 -13.565 0.887 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -9.847 -11.953 1.531 1.00 1.00 H new ATOM 603 N GLY A 40 -5.973 -11.579 2.118 1.00 1.00 N ATOM 604 CA GLY A 40 -4.659 -11.935 2.626 1.00 1.00 C ATOM 605 C GLY A 40 -3.957 -10.719 3.233 1.00 1.00 C ATOM 606 O GLY A 40 -3.234 -10.844 4.220 1.00 1.00 O ATOM 0 H GLY A 40 -6.629 -11.249 2.826 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -4.756 -12.717 3.379 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -4.052 -12.344 1.819 1.00 1.00 H new ATOM 610 N PHE A 41 -4.196 -9.570 2.618 1.00 1.00 N ATOM 611 CA PHE A 41 -3.596 -8.332 3.086 1.00 1.00 C ATOM 612 C PHE A 41 -4.246 -7.866 4.390 1.00 1.00 C ATOM 613 O PHE A 41 -5.339 -7.303 4.377 1.00 1.00 O ATOM 614 CB PHE A 41 -3.842 -7.279 2.003 1.00 1.00 C ATOM 615 CG PHE A 41 -3.105 -5.959 2.240 1.00 1.00 C ATOM 616 CD1 PHE A 41 -3.558 -5.086 3.179 1.00 1.00 C ATOM 617 CD2 PHE A 41 -1.996 -5.659 1.511 1.00 1.00 C ATOM 618 CE1 PHE A 41 -2.874 -3.861 3.398 1.00 1.00 C ATOM 619 CE2 PHE A 41 -1.312 -4.435 1.731 1.00 1.00 C ATOM 620 CZ PHE A 41 -1.765 -3.562 2.670 1.00 1.00 C ATOM 0 H PHE A 41 -4.797 -9.470 1.800 1.00 1.00 H new ATOM 0 HA PHE A 41 -2.533 -8.482 3.275 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -3.537 -7.686 1.039 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -4.912 -7.080 1.940 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -4.438 -5.324 3.758 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -1.636 -6.352 0.765 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -3.235 -3.167 4.143 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -0.432 -4.197 1.153 1.00 1.00 H new ATOM 0 HZ PHE A 41 -1.244 -2.631 2.838 1.00 1.00 H new ATOM 630 N GLY A 42 -3.545 -8.119 5.486 1.00 1.00 N ATOM 631 CA GLY A 42 -4.040 -7.732 6.796 1.00 1.00 C ATOM 632 C GLY A 42 -2.964 -6.991 7.592 1.00 1.00 C ATOM 633 O GLY A 42 -3.278 -6.168 8.451 1.00 1.00 O ATOM 0 H GLY A 42 -2.639 -8.587 5.493 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -4.917 -7.095 6.684 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -4.358 -8.618 7.345 1.00 1.00 H new ATOM 637 N LYS A 43 -1.717 -7.310 7.279 1.00 1.00 N ATOM 638 CA LYS A 43 -0.593 -6.684 7.954 1.00 1.00 C ATOM 639 C LYS A 43 0.711 -7.151 7.304 1.00 1.00 C ATOM 640 O LYS A 43 1.331 -6.409 6.545 1.00 1.00 O ATOM 641 CB LYS A 43 -0.658 -6.948 9.460 1.00 1.00 C ATOM 642 CG LYS A 43 0.523 -6.296 10.183 1.00 1.00 C ATOM 643 CD LYS A 43 1.534 -7.348 10.641 1.00 1.00 C ATOM 644 CE LYS A 43 2.397 -6.816 11.787 1.00 1.00 C ATOM 645 NZ LYS A 43 1.795 -7.163 13.093 1.00 1.00 N ATOM 0 H LYS A 43 -1.460 -7.994 6.567 1.00 1.00 H new ATOM 0 HA LYS A 43 -0.636 -5.601 7.841 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -1.594 -6.559 9.861 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -0.654 -8.022 9.645 1.00 1.00 H new ATOM 0 HG2 LYS A 43 1.011 -5.582 9.519 1.00 1.00 H new ATOM 0 HG3 LYS A 43 0.161 -5.735 11.045 1.00 1.00 H new ATOM 0 HD2 LYS A 43 1.008 -8.247 10.964 1.00 1.00 H new ATOM 0 HD3 LYS A 43 2.171 -7.634 9.804 1.00 1.00 H new ATOM 0 HE2 LYS A 43 3.401 -7.236 11.719 1.00 1.00 H new ATOM 0 HE3 LYS A 43 2.498 -5.734 11.702 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 2.393 -6.795 13.860 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 0.847 -6.742 13.161 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 1.722 -8.197 13.178 1.00 1.00 H new ATOM 658 N GLU A 44 1.089 -8.380 7.626 1.00 1.00 N ATOM 659 CA GLU A 44 2.307 -8.955 7.083 1.00 1.00 C ATOM 660 C GLU A 44 2.502 -8.513 5.631 1.00 1.00 C ATOM 661 O GLU A 44 3.588 -8.078 5.251 1.00 1.00 O ATOM 662 CB GLU A 44 2.291 -10.481 7.194 1.00 1.00 C ATOM 663 CG GLU A 44 3.200 -11.117 6.140 1.00 1.00 C ATOM 664 CD GLU A 44 4.669 -10.785 6.411 1.00 1.00 C ATOM 665 OE1 GLU A 44 5.119 -10.862 7.563 1.00 1.00 O ATOM 666 OE2 GLU A 44 5.350 -10.437 5.372 1.00 1.00 O ATOM 0 H GLU A 44 0.572 -8.993 8.256 1.00 1.00 H new ATOM 0 HA GLU A 44 3.150 -8.590 7.670 1.00 1.00 H new ATOM 0 HB2 GLU A 44 2.618 -10.780 8.190 1.00 1.00 H new ATOM 0 HB3 GLU A 44 1.272 -10.848 7.070 1.00 1.00 H new ATOM 0 HG2 GLU A 44 3.062 -12.198 6.140 1.00 1.00 H new ATOM 0 HG3 GLU A 44 2.919 -10.760 5.149 1.00 1.00 H new ATOM 674 N MET A 45 1.432 -8.638 4.860 1.00 1.00 N ATOM 675 CA MET A 45 1.472 -8.256 3.458 1.00 1.00 C ATOM 676 C MET A 45 2.020 -6.838 3.291 1.00 1.00 C ATOM 677 O MET A 45 3.020 -6.632 2.606 1.00 1.00 O ATOM 678 CB MET A 45 0.062 -8.331 2.869 1.00 1.00 C ATOM 679 CG MET A 45 -0.377 -9.785 2.681 1.00 1.00 C ATOM 680 SD MET A 45 0.739 -10.621 1.567 1.00 1.00 S ATOM 681 CE MET A 45 -0.034 -12.228 1.501 1.00 1.00 C ATOM 0 H MET A 45 0.533 -8.998 5.179 1.00 1.00 H new ATOM 0 HA MET A 45 2.133 -8.945 2.932 1.00 1.00 H new ATOM 0 HB2 MET A 45 -0.639 -7.818 3.528 1.00 1.00 H new ATOM 0 HB3 MET A 45 0.036 -7.813 1.910 1.00 1.00 H new ATOM 0 HG2 MET A 45 -0.393 -10.296 3.644 1.00 1.00 H new ATOM 0 HG3 MET A 45 -1.392 -9.819 2.285 1.00 1.00 H new ATOM 0 HE1 MET A 45 0.539 -12.881 0.843 1.00 1.00 H new ATOM 0 HE2 MET A 45 -0.065 -12.658 2.502 1.00 1.00 H new ATOM 0 HE3 MET A 45 -1.049 -12.128 1.118 1.00 1.00 H new ATOM 691 N ALA A 46 1.341 -5.896 3.930 1.00 1.00 N ATOM 692 CA ALA A 46 1.748 -4.503 3.861 1.00 1.00 C ATOM 693 C ALA A 46 3.208 -4.380 4.301 1.00 1.00 C ATOM 694 O ALA A 46 3.979 -3.630 3.704 1.00 1.00 O ATOM 695 CB ALA A 46 0.807 -3.653 4.717 1.00 1.00 C ATOM 0 H ALA A 46 0.512 -6.070 4.498 1.00 1.00 H new ATOM 0 HA ALA A 46 1.680 -4.134 2.838 1.00 1.00 H new ATOM 0 HB1 ALA A 46 1.112 -2.608 4.665 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -0.213 -3.752 4.345 1.00 1.00 H new ATOM 0 HB3 ALA A 46 0.850 -3.993 5.752 1.00 1.00 H new ATOM 701 N HIS A 47 3.543 -5.127 5.342 1.00 1.00 N ATOM 702 CA HIS A 47 4.897 -5.111 5.870 1.00 1.00 C ATOM 703 C HIS A 47 5.786 -6.032 5.031 1.00 1.00 C ATOM 704 O HIS A 47 6.924 -6.311 5.404 1.00 1.00 O ATOM 705 CB HIS A 47 4.905 -5.473 7.356 1.00 1.00 C ATOM 706 CG HIS A 47 4.086 -4.544 8.219 1.00 1.00 C ATOM 707 ND1 HIS A 47 3.242 -4.998 9.218 1.00 1.00 N ATOM 708 CD2 HIS A 47 3.990 -3.183 8.223 1.00 1.00 C ATOM 709 CE1 HIS A 47 2.669 -3.949 9.790 1.00 1.00 C ATOM 710 NE2 HIS A 47 3.133 -2.825 9.171 1.00 1.00 N ATOM 0 H HIS A 47 2.900 -5.748 5.834 1.00 1.00 H new ATOM 0 HA HIS A 47 5.307 -4.103 5.799 1.00 1.00 H new ATOM 0 HB2 HIS A 47 4.528 -6.489 7.474 1.00 1.00 H new ATOM 0 HB3 HIS A 47 5.934 -5.472 7.714 1.00 1.00 H new ATOM 0 HD1 HIS A 47 3.087 -5.974 9.471 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.522 -2.511 7.566 1.00 1.00 H new ATOM 0 HE1 HIS A 47 1.959 -3.979 10.603 1.00 1.00 H new ATOM 718 N GLY A 48 5.232 -6.477 3.912 1.00 1.00 N ATOM 719 CA GLY A 48 5.960 -7.360 3.017 1.00 1.00 C ATOM 720 C GLY A 48 5.408 -7.273 1.593 1.00 1.00 C ATOM 721 O GLY A 48 5.187 -6.180 1.075 1.00 1.00 O ATOM 0 H GLY A 48 4.288 -6.242 3.605 1.00 1.00 H new ATOM 0 HA2 GLY A 48 7.017 -7.094 3.018 1.00 1.00 H new ATOM 0 HA3 GLY A 48 5.889 -8.387 3.376 1.00 1.00 H new ATOM 725 N LYS A 49 5.202 -8.440 1.000 1.00 1.00 N ATOM 726 CA LYS A 49 4.681 -8.509 -0.355 1.00 1.00 C ATOM 727 C LYS A 49 3.269 -7.921 -0.384 1.00 1.00 C ATOM 728 O LYS A 49 2.286 -8.658 -0.441 1.00 1.00 O ATOM 729 CB LYS A 49 4.761 -9.941 -0.887 1.00 1.00 C ATOM 730 CG LYS A 49 3.697 -10.828 -0.237 1.00 1.00 C ATOM 731 CD LYS A 49 4.170 -12.281 -0.154 1.00 1.00 C ATOM 732 CE LYS A 49 4.773 -12.584 1.218 1.00 1.00 C ATOM 733 NZ LYS A 49 3.706 -12.731 2.233 1.00 1.00 N ATOM 0 H LYS A 49 5.386 -9.345 1.433 1.00 1.00 H new ATOM 0 HA LYS A 49 5.291 -7.908 -1.029 1.00 1.00 H new ATOM 0 HB2 LYS A 49 4.626 -9.939 -1.969 1.00 1.00 H new ATOM 0 HB3 LYS A 49 5.751 -10.351 -0.690 1.00 1.00 H new ATOM 0 HG2 LYS A 49 3.471 -10.458 0.763 1.00 1.00 H new ATOM 0 HG3 LYS A 49 2.773 -10.775 -0.813 1.00 1.00 H new ATOM 0 HD2 LYS A 49 3.331 -12.951 -0.343 1.00 1.00 H new ATOM 0 HD3 LYS A 49 4.911 -12.471 -0.931 1.00 1.00 H new ATOM 0 HE2 LYS A 49 5.364 -13.499 1.168 1.00 1.00 H new ATOM 0 HE3 LYS A 49 5.451 -11.782 1.509 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 4.062 -12.417 3.159 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 2.887 -12.150 1.962 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 3.419 -13.729 2.293 1.00 1.00 H new ATOM 746 N GLY A 50 3.213 -6.598 -0.343 1.00 1.00 N ATOM 747 CA GLY A 50 1.938 -5.902 -0.364 1.00 1.00 C ATOM 748 C GLY A 50 2.137 -4.397 -0.559 1.00 1.00 C ATOM 749 O GLY A 50 1.507 -3.791 -1.424 1.00 1.00 O ATOM 0 H GLY A 50 4.030 -5.990 -0.295 1.00 1.00 H new ATOM 0 HA2 GLY A 50 1.317 -6.297 -1.168 1.00 1.00 H new ATOM 0 HA3 GLY A 50 1.405 -6.084 0.569 1.00 1.00 H new ATOM 753 N CYS A 51 3.017 -3.838 0.258 1.00 1.00 N ATOM 754 CA CYS A 51 3.308 -2.416 0.186 1.00 1.00 C ATOM 755 C CYS A 51 4.824 -2.230 0.280 1.00 1.00 C ATOM 756 O CYS A 51 5.430 -1.602 -0.586 1.00 1.00 O ATOM 757 CB CYS A 51 2.568 -1.632 1.271 1.00 1.00 C ATOM 758 SG CYS A 51 0.768 -1.948 1.355 1.00 1.00 S ATOM 0 H CYS A 51 3.538 -4.344 0.974 1.00 1.00 H new ATOM 0 HA CYS A 51 2.953 -2.017 -0.764 1.00 1.00 H new ATOM 0 HB2 CYS A 51 3.010 -1.872 2.238 1.00 1.00 H new ATOM 0 HB3 CYS A 51 2.728 -0.567 1.103 1.00 1.00 H new ATOM 763 N LYS A 52 5.392 -2.789 1.339 1.00 1.00 N ATOM 764 CA LYS A 52 6.825 -2.692 1.557 1.00 1.00 C ATOM 765 C LYS A 52 7.556 -3.498 0.481 1.00 1.00 C ATOM 766 O LYS A 52 8.463 -2.986 -0.174 1.00 1.00 O ATOM 767 CB LYS A 52 7.179 -3.112 2.985 1.00 1.00 C ATOM 768 CG LYS A 52 7.905 -1.985 3.723 1.00 1.00 C ATOM 769 CD LYS A 52 9.409 -2.030 3.448 1.00 1.00 C ATOM 770 CE LYS A 52 10.103 -3.045 4.358 1.00 1.00 C ATOM 771 NZ LYS A 52 10.292 -4.331 3.650 1.00 1.00 N ATOM 0 H LYS A 52 4.886 -3.310 2.055 1.00 1.00 H new ATOM 0 HA LYS A 52 7.156 -1.658 1.462 1.00 1.00 H new ATOM 0 HB2 LYS A 52 6.271 -3.379 3.525 1.00 1.00 H new ATOM 0 HB3 LYS A 52 7.809 -4.001 2.961 1.00 1.00 H new ATOM 0 HG2 LYS A 52 7.503 -1.022 3.409 1.00 1.00 H new ATOM 0 HG3 LYS A 52 7.725 -2.072 4.794 1.00 1.00 H new ATOM 0 HD2 LYS A 52 9.584 -2.293 2.405 1.00 1.00 H new ATOM 0 HD3 LYS A 52 9.841 -1.041 3.604 1.00 1.00 H new ATOM 0 HE2 LYS A 52 11.069 -2.654 4.679 1.00 1.00 H new ATOM 0 HE3 LYS A 52 9.508 -3.202 5.258 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 10.440 -5.091 4.344 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 9.447 -4.541 3.081 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 11.122 -4.265 3.027 1.00 1.00 H new ATOM 784 N GLY A 53 7.133 -4.745 0.331 1.00 1.00 N ATOM 785 CA GLY A 53 7.736 -5.626 -0.655 1.00 1.00 C ATOM 786 C GLY A 53 8.125 -4.852 -1.917 1.00 1.00 C ATOM 787 O GLY A 53 9.239 -4.994 -2.417 1.00 1.00 O ATOM 0 H GLY A 53 6.380 -5.166 0.876 1.00 1.00 H new ATOM 0 HA2 GLY A 53 8.619 -6.103 -0.230 1.00 1.00 H new ATOM 0 HA3 GLY A 53 7.037 -6.422 -0.913 1.00 1.00 H new ATOM 791 N CYS A 54 7.183 -4.052 -2.394 1.00 1.00 N ATOM 792 CA CYS A 54 7.413 -3.256 -3.588 1.00 1.00 C ATOM 793 C CYS A 54 8.326 -2.086 -3.218 1.00 1.00 C ATOM 794 O CYS A 54 9.267 -1.773 -3.946 1.00 1.00 O ATOM 795 CB CYS A 54 6.099 -2.779 -4.212 1.00 1.00 C ATOM 796 SG CYS A 54 6.417 -2.053 -5.861 1.00 1.00 S ATOM 0 H CYS A 54 6.260 -3.938 -1.976 1.00 1.00 H new ATOM 0 HA CYS A 54 7.899 -3.868 -4.348 1.00 1.00 H new ATOM 0 HB2 CYS A 54 5.405 -3.615 -4.301 1.00 1.00 H new ATOM 0 HB3 CYS A 54 5.627 -2.040 -3.565 1.00 1.00 H new ATOM 801 N HIS A 55 8.018 -1.472 -2.085 1.00 1.00 N ATOM 802 CA HIS A 55 8.799 -0.343 -1.609 1.00 1.00 C ATOM 803 C HIS A 55 10.263 -0.761 -1.454 1.00 1.00 C ATOM 804 O HIS A 55 11.165 -0.052 -1.897 1.00 1.00 O ATOM 805 CB HIS A 55 8.205 0.224 -0.318 1.00 1.00 C ATOM 806 CG HIS A 55 6.832 0.830 -0.489 1.00 1.00 C ATOM 807 ND1 HIS A 55 5.960 1.021 0.569 1.00 1.00 N ATOM 808 CD2 HIS A 55 6.192 1.288 -1.603 1.00 1.00 C ATOM 809 CE1 HIS A 55 4.848 1.568 0.101 1.00 1.00 C ATOM 810 NE2 HIS A 55 4.994 1.732 -1.246 1.00 1.00 N ATOM 0 H HIS A 55 7.238 -1.735 -1.483 1.00 1.00 H new ATOM 0 HA HIS A 55 8.762 0.463 -2.342 1.00 1.00 H new ATOM 0 HB2 HIS A 55 8.150 -0.572 0.425 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.880 0.983 0.078 1.00 1.00 H new ATOM 0 HD1 HIS A 55 6.143 0.781 1.543 1.00 1.00 H new ATOM 0 HD2 HIS A 55 6.593 1.289 -2.606 1.00 1.00 H new ATOM 0 HE1 HIS A 55 3.979 1.837 0.683 1.00 1.00 H new ATOM 818 N GLU A 56 10.453 -1.911 -0.824 1.00 1.00 N ATOM 819 CA GLU A 56 11.791 -2.432 -0.605 1.00 1.00 C ATOM 820 C GLU A 56 12.342 -3.040 -1.897 1.00 1.00 C ATOM 821 O GLU A 56 13.555 -3.096 -2.093 1.00 1.00 O ATOM 822 CB GLU A 56 11.802 -3.457 0.531 1.00 1.00 C ATOM 823 CG GLU A 56 10.593 -4.391 0.439 1.00 1.00 C ATOM 824 CD GLU A 56 10.993 -5.836 0.741 1.00 1.00 C ATOM 825 OE1 GLU A 56 12.068 -6.284 0.315 1.00 1.00 O ATOM 826 OE2 GLU A 56 10.142 -6.501 1.447 1.00 1.00 O ATOM 0 H GLU A 56 9.702 -2.497 -0.458 1.00 1.00 H new ATOM 0 HA GLU A 56 12.437 -1.605 -0.310 1.00 1.00 H new ATOM 0 HB2 GLU A 56 12.721 -4.041 0.490 1.00 1.00 H new ATOM 0 HB3 GLU A 56 11.795 -2.941 1.491 1.00 1.00 H new ATOM 0 HG2 GLU A 56 9.825 -4.068 1.142 1.00 1.00 H new ATOM 0 HG3 GLU A 56 10.158 -4.331 -0.559 1.00 1.00 H new ATOM 834 N GLU A 57 11.424 -3.480 -2.745 1.00 1.00 N ATOM 835 CA GLU A 57 11.802 -4.082 -4.012 1.00 1.00 C ATOM 836 C GLU A 57 12.196 -2.998 -5.017 1.00 1.00 C ATOM 837 O GLU A 57 13.163 -3.157 -5.760 1.00 1.00 O ATOM 838 CB GLU A 57 10.674 -4.957 -4.562 1.00 1.00 C ATOM 839 CG GLU A 57 10.961 -5.378 -6.005 1.00 1.00 C ATOM 840 CD GLU A 57 12.207 -6.262 -6.081 1.00 1.00 C ATOM 841 OE1 GLU A 57 12.486 -7.022 -5.141 1.00 1.00 O ATOM 842 OE2 GLU A 57 12.896 -6.142 -7.165 1.00 1.00 O ATOM 0 H GLU A 57 10.419 -3.431 -2.579 1.00 1.00 H new ATOM 0 HA GLU A 57 12.666 -4.725 -3.844 1.00 1.00 H new ATOM 0 HB2 GLU A 57 10.558 -5.843 -3.937 1.00 1.00 H new ATOM 0 HB3 GLU A 57 9.732 -4.411 -4.519 1.00 1.00 H new ATOM 0 HG2 GLU A 57 10.103 -5.917 -6.408 1.00 1.00 H new ATOM 0 HG3 GLU A 57 11.101 -4.492 -6.625 1.00 1.00 H new ATOM 850 N MET A 58 11.426 -1.920 -5.009 1.00 1.00 N ATOM 851 CA MET A 58 11.682 -0.810 -5.911 1.00 1.00 C ATOM 852 C MET A 58 12.623 0.212 -5.270 1.00 1.00 C ATOM 853 O MET A 58 13.541 0.709 -5.920 1.00 1.00 O ATOM 854 CB MET A 58 10.360 -0.131 -6.273 1.00 1.00 C ATOM 855 CG MET A 58 9.494 -1.044 -7.143 1.00 1.00 C ATOM 856 SD MET A 58 8.436 -0.063 -8.194 1.00 1.00 S ATOM 857 CE MET A 58 8.686 -0.897 -9.752 1.00 1.00 C ATOM 0 H MET A 58 10.624 -1.792 -4.392 1.00 1.00 H new ATOM 0 HA MET A 58 12.158 -1.200 -6.811 1.00 1.00 H new ATOM 0 HB2 MET A 58 9.820 0.129 -5.363 1.00 1.00 H new ATOM 0 HB3 MET A 58 10.559 0.801 -6.803 1.00 1.00 H new ATOM 0 HG2 MET A 58 10.128 -1.689 -7.752 1.00 1.00 H new ATOM 0 HG3 MET A 58 8.890 -1.696 -6.512 1.00 1.00 H new ATOM 0 HE1 MET A 58 8.093 -0.409 -10.525 1.00 1.00 H new ATOM 0 HE2 MET A 58 9.741 -0.854 -10.022 1.00 1.00 H new ATOM 0 HE3 MET A 58 8.377 -1.938 -9.661 1.00 1.00 H new ATOM 867 N LYS A 59 12.361 0.495 -4.002 1.00 1.00 N ATOM 868 CA LYS A 59 13.173 1.449 -3.266 1.00 1.00 C ATOM 869 C LYS A 59 12.750 2.870 -3.642 1.00 1.00 C ATOM 870 O LYS A 59 13.587 3.697 -4.001 1.00 1.00 O ATOM 871 CB LYS A 59 14.661 1.171 -3.490 1.00 1.00 C ATOM 872 CG LYS A 59 14.972 -0.318 -3.326 1.00 1.00 C ATOM 873 CD LYS A 59 15.443 -0.627 -1.904 1.00 1.00 C ATOM 874 CE LYS A 59 16.967 -0.545 -1.802 1.00 1.00 C ATOM 875 NZ LYS A 59 17.390 0.829 -1.449 1.00 1.00 N ATOM 0 H LYS A 59 11.598 0.081 -3.466 1.00 1.00 H new ATOM 0 HA LYS A 59 13.010 1.341 -2.194 1.00 1.00 H new ATOM 0 HB2 LYS A 59 14.949 1.498 -4.489 1.00 1.00 H new ATOM 0 HB3 LYS A 59 15.253 1.750 -2.781 1.00 1.00 H new ATOM 0 HG2 LYS A 59 14.083 -0.906 -3.554 1.00 1.00 H new ATOM 0 HG3 LYS A 59 15.741 -0.613 -4.040 1.00 1.00 H new ATOM 0 HD2 LYS A 59 14.990 0.077 -1.206 1.00 1.00 H new ATOM 0 HD3 LYS A 59 15.109 -1.623 -1.615 1.00 1.00 H new ATOM 0 HE2 LYS A 59 17.325 -1.247 -1.049 1.00 1.00 H new ATOM 0 HE3 LYS A 59 17.417 -0.838 -2.750 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 18.365 0.810 -1.089 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 17.344 1.434 -2.294 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 16.758 1.209 -0.716 1.00 1.00 H new ATOM 888 N LYS A 60 11.450 3.111 -3.547 1.00 1.00 N ATOM 889 CA LYS A 60 10.905 4.418 -3.873 1.00 1.00 C ATOM 890 C LYS A 60 9.889 4.823 -2.803 1.00 1.00 C ATOM 891 O LYS A 60 9.910 5.954 -2.319 1.00 1.00 O ATOM 892 CB LYS A 60 10.338 4.423 -5.294 1.00 1.00 C ATOM 893 CG LYS A 60 11.362 4.967 -6.291 1.00 1.00 C ATOM 894 CD LYS A 60 10.972 4.610 -7.727 1.00 1.00 C ATOM 895 CE LYS A 60 10.915 5.860 -8.607 1.00 1.00 C ATOM 896 NZ LYS A 60 10.461 5.513 -9.972 1.00 1.00 N ATOM 0 H LYS A 60 10.759 2.423 -3.249 1.00 1.00 H new ATOM 0 HA LYS A 60 11.692 5.172 -3.867 1.00 1.00 H new ATOM 0 HB2 LYS A 60 10.051 3.411 -5.578 1.00 1.00 H new ATOM 0 HB3 LYS A 60 9.434 5.032 -5.327 1.00 1.00 H new ATOM 0 HG2 LYS A 60 11.435 6.050 -6.189 1.00 1.00 H new ATOM 0 HG3 LYS A 60 12.347 4.558 -6.066 1.00 1.00 H new ATOM 0 HD2 LYS A 60 11.693 3.904 -8.139 1.00 1.00 H new ATOM 0 HD3 LYS A 60 10.002 4.113 -7.731 1.00 1.00 H new ATOM 0 HE2 LYS A 60 10.237 6.591 -8.167 1.00 1.00 H new ATOM 0 HE3 LYS A 60 11.900 6.325 -8.652 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 10.428 6.373 -10.556 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 11.123 4.832 -10.395 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 9.512 5.090 -9.925 1.00 1.00 H new ATOM 909 N GLY A 61 9.024 3.878 -2.466 1.00 1.00 N ATOM 910 CA GLY A 61 8.002 4.122 -1.462 1.00 1.00 C ATOM 911 C GLY A 61 8.606 4.134 -0.056 1.00 1.00 C ATOM 912 O GLY A 61 9.815 4.029 0.135 1.00 1.00 O ATOM 0 H GLY A 61 9.010 2.942 -2.870 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.513 5.076 -1.660 1.00 1.00 H new ATOM 0 HA3 GLY A 61 7.234 3.351 -1.525 1.00 1.00 H new ATOM 916 N PRO A 62 7.722 4.265 0.936 1.00 1.00 N ATOM 917 CA PRO A 62 8.071 4.299 2.340 1.00 1.00 C ATOM 918 C PRO A 62 8.429 2.896 2.811 1.00 1.00 C ATOM 919 O PRO A 62 7.685 1.962 2.514 1.00 1.00 O ATOM 920 CB PRO A 62 6.815 4.809 3.043 1.00 1.00 C ATOM 921 CG PRO A 62 5.690 4.167 2.131 1.00 1.00 C ATOM 922 CD PRO A 62 6.293 4.390 0.746 1.00 1.00 C ATOM 0 HA PRO A 62 8.932 4.934 2.548 1.00 1.00 H new ATOM 0 HB2 PRO A 62 6.753 4.471 4.077 1.00 1.00 H new ATOM 0 HB3 PRO A 62 6.763 5.898 3.060 1.00 1.00 H new ATOM 0 HG2 PRO A 62 5.532 3.111 2.349 1.00 1.00 H new ATOM 0 HG3 PRO A 62 4.727 4.664 2.249 1.00 1.00 H new ATOM 0 HD2 PRO A 62 5.924 3.654 0.032 1.00 1.00 H new ATOM 0 HD3 PRO A 62 6.031 5.373 0.355 1.00 1.00 H new ATOM 930 N THR A 63 9.540 2.774 3.522 1.00 1.00 N ATOM 931 CA THR A 63 9.972 1.479 4.018 1.00 1.00 C ATOM 932 C THR A 63 10.363 1.576 5.494 1.00 1.00 C ATOM 933 O THR A 63 11.161 0.778 5.983 1.00 1.00 O ATOM 934 CB THR A 63 11.108 0.983 3.120 1.00 1.00 C ATOM 935 OG1 THR A 63 11.766 2.176 2.703 1.00 1.00 O ATOM 936 CG2 THR A 63 10.597 0.364 1.817 1.00 1.00 C ATOM 0 H THR A 63 10.154 3.551 3.766 1.00 1.00 H new ATOM 0 HA THR A 63 9.163 0.750 3.976 1.00 1.00 H new ATOM 0 HB THR A 63 11.704 0.248 3.661 1.00 1.00 H new ATOM 0 HG1 THR A 63 12.518 1.947 2.118 1.00 1.00 H new ATOM 0 HG21 THR A 63 11.443 0.029 1.217 1.00 1.00 H new ATOM 0 HG22 THR A 63 9.955 -0.486 2.046 1.00 1.00 H new ATOM 0 HG23 THR A 63 10.029 1.108 1.259 1.00 1.00 H new ATOM 944 N LYS A 64 9.783 2.561 6.163 1.00 1.00 N ATOM 945 CA LYS A 64 10.060 2.774 7.573 1.00 1.00 C ATOM 946 C LYS A 64 8.740 2.936 8.330 1.00 1.00 C ATOM 947 O LYS A 64 7.745 3.382 7.760 1.00 1.00 O ATOM 948 CB LYS A 64 11.024 3.948 7.759 1.00 1.00 C ATOM 949 CG LYS A 64 12.226 3.540 8.613 1.00 1.00 C ATOM 950 CD LYS A 64 13.206 4.705 8.771 1.00 1.00 C ATOM 951 CE LYS A 64 14.451 4.494 7.908 1.00 1.00 C ATOM 952 NZ LYS A 64 15.648 5.047 8.581 1.00 1.00 N ATOM 0 H LYS A 64 9.122 3.221 5.754 1.00 1.00 H new ATOM 0 HA LYS A 64 10.566 1.906 7.996 1.00 1.00 H new ATOM 0 HB2 LYS A 64 11.367 4.299 6.786 1.00 1.00 H new ATOM 0 HB3 LYS A 64 10.503 4.780 8.232 1.00 1.00 H new ATOM 0 HG2 LYS A 64 11.885 3.211 9.595 1.00 1.00 H new ATOM 0 HG3 LYS A 64 12.734 2.693 8.152 1.00 1.00 H new ATOM 0 HD2 LYS A 64 12.717 5.637 8.489 1.00 1.00 H new ATOM 0 HD3 LYS A 64 13.496 4.802 9.817 1.00 1.00 H new ATOM 0 HE2 LYS A 64 14.593 3.430 7.717 1.00 1.00 H new ATOM 0 HE3 LYS A 64 14.316 4.976 6.940 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 16.484 4.895 7.982 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 15.517 6.066 8.741 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 15.785 4.568 9.494 1.00 1.00 H new ATOM 965 N CYS A 65 8.774 2.566 9.601 1.00 1.00 N ATOM 966 CA CYS A 65 7.593 2.665 10.441 1.00 1.00 C ATOM 967 C CYS A 65 7.108 4.116 10.419 1.00 1.00 C ATOM 968 O CYS A 65 5.909 4.372 10.323 1.00 1.00 O ATOM 969 CB CYS A 65 7.869 2.177 11.865 1.00 1.00 C ATOM 970 SG CYS A 65 8.954 0.708 11.976 1.00 1.00 S ATOM 0 H CYS A 65 9.601 2.197 10.070 1.00 1.00 H new ATOM 0 HA CYS A 65 6.810 2.015 10.050 1.00 1.00 H new ATOM 0 HB2 CYS A 65 8.323 2.990 12.431 1.00 1.00 H new ATOM 0 HB3 CYS A 65 6.918 1.946 12.346 1.00 1.00 H new ATOM 975 N GLY A 66 8.065 5.028 10.510 1.00 1.00 N ATOM 976 CA GLY A 66 7.750 6.446 10.502 1.00 1.00 C ATOM 977 C GLY A 66 7.674 6.982 9.071 1.00 1.00 C ATOM 978 O GLY A 66 7.704 8.193 8.856 1.00 1.00 O ATOM 0 H GLY A 66 9.059 4.812 10.590 1.00 1.00 H new ATOM 0 HA2 GLY A 66 6.799 6.614 11.008 1.00 1.00 H new ATOM 0 HA3 GLY A 66 8.509 6.994 11.060 1.00 1.00 H new ATOM 982 N GLU A 67 7.576 6.055 8.130 1.00 1.00 N ATOM 983 CA GLU A 67 7.495 6.419 6.726 1.00 1.00 C ATOM 984 C GLU A 67 6.139 6.009 6.148 1.00 1.00 C ATOM 985 O GLU A 67 5.859 6.256 4.976 1.00 1.00 O ATOM 986 CB GLU A 67 8.642 5.792 5.930 1.00 1.00 C ATOM 987 CG GLU A 67 9.489 6.869 5.248 1.00 1.00 C ATOM 988 CD GLU A 67 10.212 6.304 4.024 1.00 1.00 C ATOM 989 OE1 GLU A 67 10.579 5.120 4.013 1.00 1.00 O ATOM 990 OE2 GLU A 67 10.390 7.143 3.060 1.00 1.00 O ATOM 0 H GLU A 67 7.551 5.052 8.312 1.00 1.00 H new ATOM 0 HA GLU A 67 7.590 7.502 6.646 1.00 1.00 H new ATOM 0 HB2 GLU A 67 9.269 5.198 6.595 1.00 1.00 H new ATOM 0 HB3 GLU A 67 8.239 5.112 5.180 1.00 1.00 H new ATOM 0 HG2 GLU A 67 8.852 7.701 4.947 1.00 1.00 H new ATOM 0 HG3 GLU A 67 10.218 7.265 5.955 1.00 1.00 H new ATOM 998 N CYS A 68 5.332 5.391 6.999 1.00 1.00 N ATOM 999 CA CYS A 68 4.012 4.944 6.588 1.00 1.00 C ATOM 1000 C CYS A 68 3.002 5.398 7.643 1.00 1.00 C ATOM 1001 O CYS A 68 2.082 6.157 7.341 1.00 1.00 O ATOM 1002 CB CYS A 68 3.969 3.430 6.370 1.00 1.00 C ATOM 1003 SG CYS A 68 3.863 3.059 4.581 1.00 1.00 S ATOM 0 H CYS A 68 5.567 5.190 7.971 1.00 1.00 H new ATOM 0 HA CYS A 68 3.757 5.390 5.627 1.00 1.00 H new ATOM 0 HB2 CYS A 68 4.861 2.968 6.794 1.00 1.00 H new ATOM 0 HB3 CYS A 68 3.111 3.003 6.890 1.00 1.00 H new ATOM 1008 N HIS A 69 3.207 4.913 8.859 1.00 1.00 N ATOM 1009 CA HIS A 69 2.325 5.259 9.961 1.00 1.00 C ATOM 1010 C HIS A 69 2.590 6.701 10.397 1.00 1.00 C ATOM 1011 O HIS A 69 3.611 6.988 11.019 1.00 1.00 O ATOM 1012 CB HIS A 69 2.470 4.257 11.108 1.00 1.00 C ATOM 1013 CG HIS A 69 2.116 2.838 10.732 1.00 1.00 C ATOM 1014 ND1 HIS A 69 0.812 2.414 10.546 1.00 1.00 N ATOM 1015 CD2 HIS A 69 2.909 1.751 10.508 1.00 1.00 C ATOM 1016 CE1 HIS A 69 0.831 1.129 10.227 1.00 1.00 C ATOM 1017 NE2 HIS A 69 2.131 0.719 10.204 1.00 1.00 N ATOM 0 H HIS A 69 3.971 4.283 9.105 1.00 1.00 H new ATOM 0 HA HIS A 69 1.287 5.200 9.633 1.00 1.00 H new ATOM 0 HB2 HIS A 69 3.498 4.281 11.470 1.00 1.00 H new ATOM 0 HB3 HIS A 69 1.834 4.572 11.935 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -0.022 2.993 10.639 1.00 1.00 H new ATOM 0 HD2 HIS A 69 3.987 1.733 10.568 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -0.032 0.513 10.021 1.00 1.00 H new ATOM 1025 N LYS A 70 1.652 7.571 10.053 1.00 1.00 N ATOM 1026 CA LYS A 70 1.771 8.977 10.401 1.00 1.00 C ATOM 1027 C LYS A 70 0.374 9.572 10.588 1.00 1.00 C ATOM 1028 O LYS A 70 -0.410 9.635 9.642 1.00 1.00 O ATOM 1029 CB LYS A 70 2.619 9.716 9.364 1.00 1.00 C ATOM 1030 CG LYS A 70 2.779 11.191 9.736 1.00 1.00 C ATOM 1031 CD LYS A 70 3.815 11.367 10.848 1.00 1.00 C ATOM 1032 CE LYS A 70 5.135 11.900 10.288 1.00 1.00 C ATOM 1033 NZ LYS A 70 5.248 13.357 10.523 1.00 1.00 N ATOM 0 H LYS A 70 0.806 7.330 9.537 1.00 1.00 H new ATOM 0 HA LYS A 70 2.297 9.091 11.349 1.00 1.00 H new ATOM 0 HB2 LYS A 70 3.600 9.247 9.291 1.00 1.00 H new ATOM 0 HB3 LYS A 70 2.153 9.634 8.382 1.00 1.00 H new ATOM 0 HG2 LYS A 70 3.083 11.760 8.858 1.00 1.00 H new ATOM 0 HG3 LYS A 70 1.820 11.594 10.061 1.00 1.00 H new ATOM 0 HD2 LYS A 70 3.431 12.055 11.602 1.00 1.00 H new ATOM 0 HD3 LYS A 70 3.986 10.412 11.345 1.00 1.00 H new ATOM 0 HE2 LYS A 70 5.971 11.384 10.759 1.00 1.00 H new ATOM 0 HE3 LYS A 70 5.194 11.693 9.220 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 6.150 13.702 10.137 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 4.460 13.847 10.053 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 5.214 13.548 11.545 1.00 1.00 H new ATOM 1046 N LYS A 71 0.104 9.993 11.815 1.00 1.00 N ATOM 1047 CA LYS A 71 -1.184 10.580 12.139 1.00 1.00 C ATOM 1048 C LYS A 71 -1.489 11.708 11.151 1.00 1.00 C ATOM 1049 O LYS A 71 -2.573 12.288 11.180 1.00 1.00 O ATOM 1050 CB LYS A 71 -1.220 11.020 13.604 1.00 1.00 C ATOM 1051 CG LYS A 71 -2.658 11.078 14.125 1.00 1.00 C ATOM 1052 CD LYS A 71 -2.977 12.458 14.702 1.00 1.00 C ATOM 1053 CE LYS A 71 -4.379 12.486 15.313 1.00 1.00 C ATOM 1054 NZ LYS A 71 -4.312 12.273 16.776 1.00 1.00 N ATOM 0 H LYS A 71 0.756 9.939 12.597 1.00 1.00 H new ATOM 0 HA LYS A 71 -1.977 9.839 12.033 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -0.638 10.326 14.210 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -0.753 12.000 13.705 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -3.351 10.849 13.316 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -2.802 10.317 14.892 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -2.240 12.718 15.462 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -2.904 13.210 13.917 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -4.855 13.443 15.101 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -4.997 11.714 14.855 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -5.272 12.295 17.174 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -3.877 11.349 16.973 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -3.740 13.025 17.210 1.00 1.00 H new TER 1067 LYS A 71 HETATM 1068 CHA HEM A 101 -9.029 -0.814 -3.856 1.00 1.00 C HETATM 1069 CHB HEM A 101 -9.304 -0.085 -8.664 1.00 1.00 C HETATM 1070 CHC HEM A 101 -4.447 0.190 -8.915 1.00 1.00 C HETATM 1071 CHD HEM A 101 -4.165 -0.881 -4.103 1.00 1.00 C HETATM 1072 C1A HEM A 101 -9.509 -0.693 -5.156 1.00 1.00 C HETATM 1073 C2A HEM A 101 -10.888 -0.892 -5.534 1.00 1.00 C HETATM 1074 C3A HEM A 101 -10.967 -0.691 -6.866 1.00 1.00 C HETATM 1075 C4A HEM A 101 -9.638 -0.365 -7.327 1.00 1.00 C HETATM 1076 CMA HEM A 101 -12.183 -0.778 -7.743 1.00 1.00 C HETATM 1077 CAA HEM A 101 -11.994 -1.255 -4.586 1.00 1.00 C HETATM 1078 CBA HEM A 101 -12.693 -0.052 -3.959 1.00 1.00 C HETATM 1079 CGA HEM A 101 -14.093 -0.416 -3.487 1.00 1.00 C HETATM 1080 O1A HEM A 101 -15.047 0.188 -4.023 1.00 1.00 O HETATM 1081 O2A HEM A 101 -14.184 -1.292 -2.600 1.00 1.00 O HETATM 1082 C1B HEM A 101 -8.005 0.083 -9.134 1.00 1.00 C HETATM 1083 C2B HEM A 101 -7.673 0.418 -10.498 1.00 1.00 C HETATM 1084 C3B HEM A 101 -6.327 0.495 -10.571 1.00 1.00 C HETATM 1085 C4B HEM A 101 -5.813 0.208 -9.253 1.00 1.00 C HETATM 1086 CMB HEM A 101 -8.672 0.632 -11.598 1.00 1.00 C HETATM 1087 CAB HEM A 101 -5.484 0.815 -11.771 1.00 1.00 C HETATM 1088 CBB HEM A 101 -5.962 2.030 -12.561 1.00 1.00 C HETATM 1089 C1C HEM A 101 -3.916 -0.100 -7.574 1.00 1.00 C HETATM 1090 C2C HEM A 101 -2.520 -0.276 -7.248 1.00 1.00 C HETATM 1091 C3C HEM A 101 -2.455 -0.583 -5.935 1.00 1.00 C HETATM 1092 C4C HEM A 101 -3.810 -0.600 -5.435 1.00 1.00 C HETATM 1093 CMC HEM A 101 -1.387 -0.133 -8.221 1.00 1.00 C HETATM 1094 CAC HEM A 101 -1.232 -0.861 -5.111 1.00 1.00 C HETATM 1095 CBC HEM A 101 -0.094 0.131 -5.336 1.00 1.00 C HETATM 1096 C1D HEM A 101 -5.472 -0.940 -3.631 1.00 1.00 C HETATM 1097 C2D HEM A 101 -5.827 -1.194 -2.255 1.00 1.00 C HETATM 1098 C3D HEM A 101 -7.175 -1.176 -2.183 1.00 1.00 C HETATM 1099 C4D HEM A 101 -7.668 -0.911 -3.514 1.00 1.00 C HETATM 1100 CMD HEM A 101 -4.845 -1.428 -1.144 1.00 1.00 C HETATM 1101 CAD HEM A 101 -8.039 -1.385 -0.973 1.00 1.00 C HETATM 1102 CBD HEM A 101 -7.676 -2.624 -0.159 1.00 1.00 C HETATM 1103 CGD HEM A 101 -7.236 -2.246 1.248 1.00 1.00 C HETATM 1104 O1D HEM A 101 -6.207 -2.802 1.690 1.00 1.00 O HETATM 1105 O2D HEM A 101 -7.937 -1.407 1.855 1.00 1.00 O HETATM 1106 NA HEM A 101 -8.748 -0.370 -6.267 1.00 1.00 N HETATM 1107 NB HEM A 101 -6.854 -0.044 -8.376 1.00 1.00 N HETATM 1108 NC HEM A 101 -4.701 -0.302 -6.452 1.00 1.00 N HETATM 1109 ND HEM A 101 -6.612 -0.768 -4.397 1.00 1.00 N HETATM 1110 FE HEM A 101 -6.588 -0.422 -6.448 1.00 1.00 FE HETATM 0 HMA1 HEM A 101 -12.076 -0.092 -8.583 1.00 1.00 H new HETATM 0 HMA2 HEM A 101 -13.068 -0.509 -7.166 1.00 1.00 H new HETATM 0 HMA3 HEM A 101 -12.289 -1.796 -8.118 1.00 1.00 H new HETATM 0 HMB1 HEM A 101 -9.555 0.021 -11.411 1.00 1.00 H new HETATM 0 HMB2 HEM A 101 -8.229 0.347 -12.552 1.00 1.00 H new HETATM 0 HMB3 HEM A 101 -8.958 1.683 -11.630 1.00 1.00 H new HETATM 0 HMC1 HEM A 101 -1.728 -0.406 -9.219 1.00 1.00 H new HETATM 0 HMC2 HEM A 101 -0.568 -0.789 -7.925 1.00 1.00 H new HETATM 0 HMC3 HEM A 101 -1.040 0.900 -8.226 1.00 1.00 H new HETATM 0 HMD1 HEM A 101 -5.268 -1.074 -0.204 1.00 1.00 H new HETATM 0 HMD2 HEM A 101 -3.923 -0.886 -1.353 1.00 1.00 H new HETATM 0 HMD3 HEM A 101 -4.630 -2.494 -1.067 1.00 1.00 H new HETATM 0 HBB1 HEM A 101 -5.420 2.349 -13.451 1.00 1.00 H new HETATM 0 HBB2 HEM A 101 -6.845 2.579 -12.235 1.00 1.00 H new HETATM 0 HBC1 HEM A 101 0.841 0.021 -4.787 1.00 1.00 H new HETATM 0 HBC2 HEM A 101 -0.217 0.949 -6.045 1.00 1.00 H new HETATM 0 HBA1 HEM A 101 -12.750 0.759 -4.685 1.00 1.00 H new HETATM 0 HBA2 HEM A 101 -12.106 0.315 -3.117 1.00 1.00 H new HETATM 0 HAA1 HEM A 101 -11.587 -1.881 -3.792 1.00 1.00 H new HETATM 0 HAA2 HEM A 101 -12.732 -1.855 -5.118 1.00 1.00 H new HETATM 0 HBD1 HEM A 101 -6.876 -3.170 -0.659 1.00 1.00 H new HETATM 0 HBD2 HEM A 101 -8.535 -3.293 -0.107 1.00 1.00 H new HETATM 0 HAD1 HEM A 101 -9.079 -1.463 -1.290 1.00 1.00 H new HETATM 0 HAD2 HEM A 101 -7.967 -0.507 -0.331 1.00 1.00 H new HETATM 0 HHA HEM A 101 -9.751 -0.835 -3.054 1.00 1.00 H new HETATM 0 HHB HEM A 101 -10.112 0.006 -9.375 1.00 1.00 H new HETATM 0 HHC HEM A 101 -3.735 0.405 -9.698 1.00 1.00 H new HETATM 0 HHD HEM A 101 -3.367 -1.064 -3.398 1.00 1.00 H new HETATM 0 HAB HEM A 101 -4.608 0.231 -12.053 1.00 1.00 H new HETATM 0 HAC HEM A 101 -1.163 -1.696 -4.414 1.00 1.00 H new HETATM 1111 CHA HEM A 102 5.330 5.574 -2.581 1.00 1.00 C HETATM 1112 CHB HEM A 102 2.111 3.672 0.540 1.00 1.00 C HETATM 1113 CHC HEM A 102 1.887 -0.382 -2.151 1.00 1.00 C HETATM 1114 CHD HEM A 102 5.259 1.471 -5.205 1.00 1.00 C HETATM 1115 C1A HEM A 102 4.445 5.410 -1.521 1.00 1.00 C HETATM 1116 C2A HEM A 102 4.143 6.436 -0.550 1.00 1.00 C HETATM 1117 C3A HEM A 102 3.251 5.912 0.316 1.00 1.00 C HETATM 1118 C4A HEM A 102 2.992 4.556 -0.109 1.00 1.00 C HETATM 1119 CMA HEM A 102 2.622 6.573 1.508 1.00 1.00 C HETATM 1120 CAA HEM A 102 4.735 7.815 -0.546 1.00 1.00 C HETATM 1121 CBA HEM A 102 4.779 8.476 -1.921 1.00 1.00 C HETATM 1122 CGA HEM A 102 4.001 9.784 -1.925 1.00 1.00 C HETATM 1123 O1A HEM A 102 2.758 9.705 -2.032 1.00 1.00 O HETATM 1124 O2A HEM A 102 4.664 10.839 -1.821 1.00 1.00 O HETATM 1125 C1B HEM A 102 1.774 2.407 0.068 1.00 1.00 C HETATM 1126 C2B HEM A 102 0.830 1.525 0.713 1.00 1.00 C HETATM 1127 C3B HEM A 102 0.765 0.401 -0.031 1.00 1.00 C HETATM 1128 C4B HEM A 102 1.669 0.575 -1.143 1.00 1.00 C HETATM 1129 CMB HEM A 102 0.082 1.842 1.976 1.00 1.00 C HETATM 1130 CAB HEM A 102 -0.071 -0.822 0.214 1.00 1.00 C HETATM 1131 CBB HEM A 102 -1.478 -0.521 0.721 1.00 1.00 C HETATM 1132 C1C HEM A 102 2.807 -0.247 -3.268 1.00 1.00 C HETATM 1133 C2C HEM A 102 3.141 -1.272 -4.228 1.00 1.00 C HETATM 1134 C3C HEM A 102 4.081 -0.756 -5.048 1.00 1.00 C HETATM 1135 C4C HEM A 102 4.337 0.594 -4.604 1.00 1.00 C HETATM 1136 CMC HEM A 102 2.532 -2.643 -4.268 1.00 1.00 C HETATM 1137 CAC HEM A 102 4.758 -1.419 -6.212 1.00 1.00 C HETATM 1138 CBC HEM A 102 4.005 -2.628 -6.761 1.00 1.00 C HETATM 1139 C1D HEM A 102 5.493 2.777 -4.788 1.00 1.00 C HETATM 1140 C2D HEM A 102 6.218 3.758 -5.561 1.00 1.00 C HETATM 1141 C3D HEM A 102 6.239 4.897 -4.836 1.00 1.00 C HETATM 1142 C4D HEM A 102 5.528 4.632 -3.607 1.00 1.00 C HETATM 1143 CMD HEM A 102 6.818 3.513 -6.914 1.00 1.00 C HETATM 1144 CAD HEM A 102 6.869 6.210 -5.198 1.00 1.00 C HETATM 1145 CBD HEM A 102 6.026 7.064 -6.140 1.00 1.00 C HETATM 1146 CGD HEM A 102 4.931 7.800 -5.380 1.00 1.00 C HETATM 1147 O1D HEM A 102 4.092 7.099 -4.773 1.00 1.00 O HETATM 1148 O2D HEM A 102 4.952 9.049 -5.421 1.00 1.00 O HETATM 1149 NA HEM A 102 3.731 4.258 -1.240 1.00 1.00 N HETATM 1150 NB HEM A 102 2.284 1.813 -1.073 1.00 1.00 N HETATM 1151 NC HEM A 102 3.548 0.897 -3.508 1.00 1.00 N HETATM 1152 ND HEM A 102 5.073 3.325 -3.588 1.00 1.00 N HETATM 1153 FE HEM A 102 3.794 2.582 -2.411 1.00 1.00 FE HETATM 0 HMA1 HEM A 102 3.310 7.312 1.919 1.00 1.00 H new HETATM 0 HMA2 HEM A 102 2.401 5.822 2.266 1.00 1.00 H new HETATM 0 HMA3 HEM A 102 1.698 7.066 1.205 1.00 1.00 H new HETATM 0 HMB1 HEM A 102 -0.880 1.330 1.967 1.00 1.00 H new HETATM 0 HMB2 HEM A 102 -0.080 2.918 2.043 1.00 1.00 H new HETATM 0 HMB3 HEM A 102 0.663 1.509 2.836 1.00 1.00 H new HETATM 0 HMC1 HEM A 102 2.519 -3.005 -5.296 1.00 1.00 H new HETATM 0 HMC2 HEM A 102 1.512 -2.599 -3.886 1.00 1.00 H new HETATM 0 HMC3 HEM A 102 3.122 -3.321 -3.652 1.00 1.00 H new HETATM 0 HMD1 HEM A 102 6.821 4.442 -7.484 1.00 1.00 H new HETATM 0 HMD2 HEM A 102 6.228 2.764 -7.443 1.00 1.00 H new HETATM 0 HMD3 HEM A 102 7.841 3.154 -6.799 1.00 1.00 H new HETATM 0 HBB1 HEM A 102 -2.168 -1.338 0.931 1.00 1.00 H new HETATM 0 HBB2 HEM A 102 -1.793 0.511 0.873 1.00 1.00 H new HETATM 0 HBC1 HEM A 102 4.409 -3.184 -7.607 1.00 1.00 H new HETATM 0 HBC2 HEM A 102 3.063 -2.936 -6.307 1.00 1.00 H new HETATM 0 HBA1 HEM A 102 4.362 7.799 -2.667 1.00 1.00 H new HETATM 0 HBA2 HEM A 102 5.815 8.664 -2.204 1.00 1.00 H new HETATM 0 HAA1 HEM A 102 5.748 7.763 -0.147 1.00 1.00 H new HETATM 0 HAA2 HEM A 102 4.157 8.445 0.130 1.00 1.00 H new HETATM 0 HBD1 HEM A 102 5.579 6.432 -6.907 1.00 1.00 H new HETATM 0 HBD2 HEM A 102 6.664 7.784 -6.653 1.00 1.00 H new HETATM 0 HAD1 HEM A 102 7.836 6.021 -5.663 1.00 1.00 H new HETATM 0 HAD2 HEM A 102 7.059 6.774 -4.285 1.00 1.00 H new HETATM 0 HHA HEM A 102 5.905 6.487 -2.619 1.00 1.00 H new HETATM 0 HHB HEM A 102 1.666 3.997 1.468 1.00 1.00 H new HETATM 0 HHC HEM A 102 1.320 -1.299 -2.089 1.00 1.00 H new HETATM 0 HHD HEM A 102 5.824 1.104 -6.049 1.00 1.00 H new HETATM 0 HAB HEM A 102 0.295 -1.835 0.045 1.00 1.00 H new HETATM 0 HAC HEM A 102 5.703 -1.069 -6.628 1.00 1.00 H new HETATM 1154 CHA HEM A 103 -0.544 -2.185 10.374 1.00 1.00 C HETATM 1155 CHB HEM A 103 3.534 -1.711 12.994 1.00 1.00 C HETATM 1156 CHC HEM A 103 5.931 -0.160 9.048 1.00 1.00 C HETATM 1157 CHD HEM A 103 1.658 -0.135 6.544 1.00 1.00 C HETATM 1158 C1A HEM A 103 0.365 -2.175 11.427 1.00 1.00 C HETATM 1159 C2A HEM A 103 0.036 -2.535 12.786 1.00 1.00 C HETATM 1160 C3A HEM A 103 1.164 -2.404 13.515 1.00 1.00 C HETATM 1161 C4A HEM A 103 2.203 -1.963 12.615 1.00 1.00 C HETATM 1162 CMA HEM A 103 1.351 -2.658 14.983 1.00 1.00 C HETATM 1163 CAA HEM A 103 -1.323 -2.967 13.256 1.00 1.00 C HETATM 1164 CBA HEM A 103 -2.276 -1.812 13.547 1.00 1.00 C HETATM 1165 CGA HEM A 103 -2.824 -1.897 14.964 1.00 1.00 C HETATM 1166 O1A HEM A 103 -2.057 -2.347 15.843 1.00 1.00 O HETATM 1167 O2A HEM A 103 -3.999 -1.511 15.142 1.00 1.00 O HETATM 1168 C1B HEM A 103 4.546 -1.332 12.118 1.00 1.00 C HETATM 1169 C2B HEM A 103 5.952 -1.344 12.447 1.00 1.00 C HETATM 1170 C3B HEM A 103 6.619 -0.915 11.355 1.00 1.00 C HETATM 1171 C4B HEM A 103 5.633 -0.632 10.339 1.00 1.00 C HETATM 1172 CMB HEM A 103 6.520 -1.765 13.771 1.00 1.00 C HETATM 1173 CAB HEM A 103 8.101 -0.748 11.184 1.00 1.00 C HETATM 1174 CBB HEM A 103 8.910 -1.995 11.528 1.00 1.00 C HETATM 1175 C1C HEM A 103 4.933 -0.021 7.951 1.00 1.00 C HETATM 1176 C2C HEM A 103 5.170 0.643 6.690 1.00 1.00 C HETATM 1177 C3C HEM A 103 3.992 0.675 6.032 1.00 1.00 C HETATM 1178 C4C HEM A 103 3.014 0.032 6.878 1.00 1.00 C HETATM 1179 CMC HEM A 103 6.496 1.181 6.239 1.00 1.00 C HETATM 1180 CAC HEM A 103 3.706 1.258 4.678 1.00 1.00 C HETATM 1181 CBC HEM A 103 4.625 0.743 3.574 1.00 1.00 C HETATM 1182 C1D HEM A 103 0.712 -0.736 7.367 1.00 1.00 C HETATM 1183 C2D HEM A 103 -0.636 -1.055 6.957 1.00 1.00 C HETATM 1184 C3D HEM A 103 -1.249 -1.624 8.017 1.00 1.00 C HETATM 1185 C4D HEM A 103 -0.287 -1.663 9.094 1.00 1.00 C HETATM 1186 CMD HEM A 103 -1.205 -0.786 5.595 1.00 1.00 C HETATM 1187 CAD HEM A 103 -2.658 -2.133 8.105 1.00 1.00 C HETATM 1188 CBD HEM A 103 -2.991 -3.217 7.084 1.00 1.00 C HETATM 1189 CGD HEM A 103 -4.246 -2.862 6.299 1.00 1.00 C HETATM 1190 O1D HEM A 103 -5.086 -3.773 6.129 1.00 1.00 O HETATM 1191 O2D HEM A 103 -4.343 -1.687 5.883 1.00 1.00 O HETATM 1192 NA HEM A 103 1.700 -1.825 11.332 1.00 1.00 N HETATM 1193 NB HEM A 103 4.361 -0.892 10.819 1.00 1.00 N HETATM 1194 NC HEM A 103 3.604 -0.392 8.056 1.00 1.00 N HETATM 1195 ND HEM A 103 0.915 -1.114 8.683 1.00 1.00 N HETATM 1196 FE HEM A 103 2.700 -0.958 9.691 1.00 1.00 FE HETATM 0 HMA1 HEM A 103 0.418 -2.457 15.509 1.00 1.00 H new HETATM 0 HMA2 HEM A 103 2.133 -2.004 15.369 1.00 1.00 H new HETATM 0 HMA3 HEM A 103 1.638 -3.698 15.139 1.00 1.00 H new HETATM 0 HMB1 HEM A 103 5.801 -1.548 14.561 1.00 1.00 H new HETATM 0 HMB2 HEM A 103 7.444 -1.218 13.961 1.00 1.00 H new HETATM 0 HMB3 HEM A 103 6.729 -2.835 13.754 1.00 1.00 H new HETATM 0 HMC1 HEM A 103 7.079 1.488 7.108 1.00 1.00 H new HETATM 0 HMC2 HEM A 103 6.337 2.040 5.587 1.00 1.00 H new HETATM 0 HMC3 HEM A 103 7.037 0.407 5.694 1.00 1.00 H new HETATM 0 HMD1 HEM A 103 -1.962 -1.535 5.363 1.00 1.00 H new HETATM 0 HMD2 HEM A 103 -0.409 -0.833 4.852 1.00 1.00 H new HETATM 0 HMD3 HEM A 103 -1.658 0.205 5.579 1.00 1.00 H new HETATM 0 HBB1 HEM A 103 9.996 -1.982 11.438 1.00 1.00 H new HETATM 0 HBB2 HEM A 103 8.402 -2.899 11.863 1.00 1.00 H new HETATM 0 HBC1 HEM A 103 4.503 1.102 2.552 1.00 1.00 H new HETATM 0 HBC2 HEM A 103 5.403 0.016 3.807 1.00 1.00 H new HETATM 0 HBA1 HEM A 103 -3.100 -1.828 12.834 1.00 1.00 H new HETATM 0 HBA2 HEM A 103 -1.755 -0.864 13.412 1.00 1.00 H new HETATM 0 HAA1 HEM A 103 -1.210 -3.567 14.159 1.00 1.00 H new HETATM 0 HAA2 HEM A 103 -1.770 -3.611 12.499 1.00 1.00 H new HETATM 0 HBD1 HEM A 103 -3.134 -4.170 7.594 1.00 1.00 H new HETATM 0 HBD2 HEM A 103 -2.153 -3.345 6.398 1.00 1.00 H new HETATM 0 HAD1 HEM A 103 -3.345 -1.297 7.969 1.00 1.00 H new HETATM 0 HAD2 HEM A 103 -2.829 -2.527 9.107 1.00 1.00 H new HETATM 0 HHA HEM A 103 -1.514 -2.624 10.552 1.00 1.00 H new HETATM 0 HHB HEM A 103 3.788 -1.819 14.038 1.00 1.00 H new HETATM 0 HHC HEM A 103 6.953 0.121 8.838 1.00 1.00 H new HETATM 0 HHD HEM A 103 1.329 0.229 5.582 1.00 1.00 H new HETATM 0 HAB HEM A 103 8.558 0.181 10.844 1.00 1.00 H new HETATM 0 HAC HEM A 103 2.913 1.984 4.500 1.00 1.00 H new