USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=15 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 21 GLN : amide:sc= -10.3! C(o=-12!,f=-12!) USER MOD Set 1.2: A 101 HEM CMB :methyl -30:sc= -1.95 (180deg=-5.19!) USER MOD Set 2.1: A 10 ASN : amide:sc= -1.79 K(o=-2.2,f=-5.6!) USER MOD Set 2.2: A 103 HEM CMA :methyl 150:sc= -0.426 (180deg=-0.0536) USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.127 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 158:sc= -1.03 (180deg=-2.12!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -159:sc= -0.0441 (180deg=-0.315) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.03) USER MOD Single : A 29 LYS NZ :NH3+ 134:sc= -0.0725 (180deg=-0.532) USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= -1.52 (180deg=-2.03!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 166:sc= 0.138 (180deg=-0.0246) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 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+ -175:sc= 1.26 (180deg=1.19) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HEM CMA :methyl -30:sc= -0.0672 (180deg=-0.262) USER MOD Single : A 101 HEM CMC :methyl -30:sc= -2.9! (180deg=-3.45!) USER MOD Single : A 101 HEM CMD :methyl 150:sc= -2.8! (180deg=-2.8!) USER MOD Single : A 102 HEM CMA :methyl 150:sc= -0.127 (180deg=-0.127) USER MOD Single : A 102 HEM CMB :methyl 150:sc= -6.47! (180deg=-6.47!) USER MOD Single : A 102 HEM CMC :methyl 150:sc= -10.7! (180deg=-10.7!) USER MOD Single : A 102 HEM CMD :methyl -30:sc= -3.69! (180deg=-6.94!) USER MOD Single : A 103 HEM CMB :methyl -30:sc= -0.267 (180deg=-1.68) USER MOD Single : A 103 HEM CMC :methyl -30:sc= -3.9! (180deg=-5.66!) USER MOD Single : A 103 HEM CMD :methyl 150:sc= -1.56 (180deg=-1.56) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.489 11.248 -4.060 1.00 1.00 N ATOM 2 CA ALA A 1 -11.072 11.073 -3.790 1.00 1.00 C ATOM 3 C ALA A 1 -10.694 9.606 -4.003 1.00 1.00 C ATOM 4 O ALA A 1 -11.552 8.726 -3.948 1.00 1.00 O ATOM 5 CB ALA A 1 -10.759 11.556 -2.372 1.00 1.00 C ATOM 0 H1 ALA A 1 -12.611 11.837 -4.909 1.00 1.00 H new ATOM 0 H2 ALA A 1 -12.930 10.319 -4.217 1.00 1.00 H new ATOM 0 H3 ALA A 1 -12.942 11.714 -3.248 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.474 11.671 -4.478 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -9.696 11.425 -2.169 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -11.018 12.611 -2.281 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -11.340 10.977 -1.654 1.00 1.00 H new ATOM 11 N ASP A 2 -9.410 9.388 -4.243 1.00 1.00 N ATOM 12 CA ASP A 2 -8.907 8.043 -4.465 1.00 1.00 C ATOM 13 C ASP A 2 -8.263 7.525 -3.177 1.00 1.00 C ATOM 14 O ASP A 2 -8.313 6.330 -2.892 1.00 1.00 O ATOM 15 CB ASP A 2 -7.844 8.026 -5.565 1.00 1.00 C ATOM 16 CG ASP A 2 -7.983 6.891 -6.581 1.00 1.00 C ATOM 17 OD1 ASP A 2 -9.080 6.353 -6.792 1.00 1.00 O ATOM 18 OD2 ASP A 2 -6.889 6.556 -7.177 1.00 1.00 O ATOM 0 H ASP A 2 -8.702 10.121 -4.289 1.00 1.00 H new ATOM 0 HA ASP A 2 -9.746 7.415 -4.765 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -7.879 8.976 -6.098 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -6.861 7.958 -5.099 1.00 1.00 H new ATOM 24 N ASP A 3 -7.674 8.450 -2.435 1.00 1.00 N ATOM 25 CA ASP A 3 -7.021 8.102 -1.184 1.00 1.00 C ATOM 26 C ASP A 3 -7.817 6.996 -0.489 1.00 1.00 C ATOM 27 O ASP A 3 -9.047 7.007 -0.506 1.00 1.00 O ATOM 28 CB ASP A 3 -6.960 9.305 -0.241 1.00 1.00 C ATOM 29 CG ASP A 3 -7.199 10.661 -0.906 1.00 1.00 C ATOM 30 OD1 ASP A 3 -8.278 11.258 -0.770 1.00 1.00 O ATOM 31 OD2 ASP A 3 -6.208 11.111 -1.599 1.00 1.00 O ATOM 0 H ASP A 3 -7.635 9.440 -2.675 1.00 1.00 H new ATOM 0 HA ASP A 3 -6.008 7.772 -1.413 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -7.701 9.168 0.547 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -5.982 9.321 0.240 1.00 1.00 H new ATOM 37 N ILE A 4 -7.083 6.067 0.106 1.00 1.00 N ATOM 38 CA ILE A 4 -7.705 4.956 0.806 1.00 1.00 C ATOM 39 C ILE A 4 -7.058 4.799 2.183 1.00 1.00 C ATOM 40 O ILE A 4 -6.122 4.017 2.348 1.00 1.00 O ATOM 41 CB ILE A 4 -7.650 3.687 -0.048 1.00 1.00 C ATOM 42 CG1 ILE A 4 -8.875 3.587 -0.960 1.00 1.00 C ATOM 43 CG2 ILE A 4 -7.485 2.444 0.828 1.00 1.00 C ATOM 44 CD1 ILE A 4 -8.861 2.279 -1.754 1.00 1.00 C ATOM 0 H ILE A 4 -6.063 6.061 0.118 1.00 1.00 H new ATOM 0 HA ILE A 4 -8.764 5.155 0.972 1.00 1.00 H new ATOM 0 HB ILE A 4 -6.773 3.746 -0.692 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -9.784 3.644 -0.361 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -8.892 4.433 -1.647 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -7.449 1.556 0.197 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -6.560 2.521 1.399 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -8.329 2.367 1.514 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -9.742 2.233 -2.394 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -7.962 2.237 -2.370 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -8.869 1.435 -1.065 1.00 1.00 H new ATOM 56 N VAL A 5 -7.581 5.555 3.137 1.00 1.00 N ATOM 57 CA VAL A 5 -7.065 5.510 4.495 1.00 1.00 C ATOM 58 C VAL A 5 -7.359 4.137 5.102 1.00 1.00 C ATOM 59 O VAL A 5 -8.509 3.703 5.138 1.00 1.00 O ATOM 60 CB VAL A 5 -7.648 6.663 5.314 1.00 1.00 C ATOM 61 CG1 VAL A 5 -7.003 6.731 6.700 1.00 1.00 C ATOM 62 CG2 VAL A 5 -7.497 7.993 4.574 1.00 1.00 C ATOM 0 H VAL A 5 -8.357 6.202 2.997 1.00 1.00 H new ATOM 0 HA VAL A 5 -5.983 5.642 4.498 1.00 1.00 H new ATOM 0 HB VAL A 5 -8.713 6.474 5.448 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -7.435 7.559 7.262 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -7.185 5.797 7.232 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -5.929 6.885 6.594 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -7.920 8.796 5.178 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -6.440 8.192 4.395 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -8.023 7.941 3.621 1.00 1.00 H new ATOM 72 N LEU A 6 -6.299 3.490 5.564 1.00 1.00 N ATOM 73 CA LEU A 6 -6.429 2.175 6.168 1.00 1.00 C ATOM 74 C LEU A 6 -6.521 2.323 7.688 1.00 1.00 C ATOM 75 O LEU A 6 -6.243 3.392 8.229 1.00 1.00 O ATOM 76 CB LEU A 6 -5.293 1.259 5.707 1.00 1.00 C ATOM 77 CG LEU A 6 -5.276 0.908 4.218 1.00 1.00 C ATOM 78 CD1 LEU A 6 -3.892 0.420 3.785 1.00 1.00 C ATOM 79 CD2 LEU A 6 -6.372 -0.105 3.881 1.00 1.00 C ATOM 0 H LEU A 6 -5.346 3.852 5.532 1.00 1.00 H new ATOM 0 HA LEU A 6 -7.350 1.694 5.838 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -4.345 1.734 5.959 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -5.346 0.332 6.278 1.00 1.00 H new ATOM 0 HG LEU A 6 -5.490 1.814 3.651 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -3.908 0.177 2.722 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -3.156 1.203 3.967 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -3.624 -0.469 4.356 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.338 -0.337 2.817 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -6.214 -1.017 4.457 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.346 0.317 4.129 1.00 1.00 H new ATOM 91 N LYS A 7 -6.912 1.235 8.334 1.00 1.00 N ATOM 92 CA LYS A 7 -7.044 1.230 9.781 1.00 1.00 C ATOM 93 C LYS A 7 -5.705 0.840 10.410 1.00 1.00 C ATOM 94 O LYS A 7 -5.082 -0.136 9.996 1.00 1.00 O ATOM 95 CB LYS A 7 -8.209 0.335 10.210 1.00 1.00 C ATOM 96 CG LYS A 7 -9.462 0.632 9.383 1.00 1.00 C ATOM 97 CD LYS A 7 -10.688 0.795 10.284 1.00 1.00 C ATOM 98 CE LYS A 7 -11.209 -0.565 10.752 1.00 1.00 C ATOM 99 NZ LYS A 7 -10.269 -1.176 11.719 1.00 1.00 N ATOM 0 H LYS A 7 -7.142 0.350 7.882 1.00 1.00 H new ATOM 0 HA LYS A 7 -7.288 2.228 10.144 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -7.931 -0.712 10.092 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -8.422 0.491 11.268 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -9.311 1.541 8.801 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -9.633 -0.177 8.673 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -10.430 1.407 11.148 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -11.474 1.323 9.743 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -12.189 -0.446 11.214 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -11.339 -1.226 9.895 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -10.773 -1.878 12.297 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -9.495 -1.643 11.204 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -9.877 -0.437 12.337 1.00 1.00 H new ATOM 112 N ALA A 8 -5.303 1.623 11.400 1.00 1.00 N ATOM 113 CA ALA A 8 -4.049 1.372 12.090 1.00 1.00 C ATOM 114 C ALA A 8 -3.905 2.358 13.252 1.00 1.00 C ATOM 115 O ALA A 8 -3.599 3.530 13.041 1.00 1.00 O ATOM 116 CB ALA A 8 -2.890 1.470 11.096 1.00 1.00 C ATOM 0 H ALA A 8 -5.823 2.431 11.741 1.00 1.00 H new ATOM 0 HA ALA A 8 -4.036 0.365 12.508 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -1.950 1.282 11.614 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -3.024 0.730 10.307 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -2.870 2.468 10.658 1.00 1.00 H new ATOM 122 N LYS A 9 -4.133 1.845 14.452 1.00 1.00 N ATOM 123 CA LYS A 9 -4.033 2.666 15.647 1.00 1.00 C ATOM 124 C LYS A 9 -2.583 3.118 15.830 1.00 1.00 C ATOM 125 O LYS A 9 -2.303 4.010 16.629 1.00 1.00 O ATOM 126 CB LYS A 9 -4.602 1.922 16.857 1.00 1.00 C ATOM 127 CG LYS A 9 -6.046 2.346 17.132 1.00 1.00 C ATOM 128 CD LYS A 9 -6.108 3.385 18.253 1.00 1.00 C ATOM 129 CE LYS A 9 -6.211 4.801 17.683 1.00 1.00 C ATOM 130 NZ LYS A 9 -7.249 5.575 18.401 1.00 1.00 N ATOM 0 H LYS A 9 -4.386 0.872 14.623 1.00 1.00 H new ATOM 0 HA LYS A 9 -4.638 3.567 15.542 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -4.562 0.847 16.679 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -3.987 2.123 17.734 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -6.487 2.758 16.224 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -6.639 1.474 17.407 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -6.967 3.184 18.893 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -5.219 3.304 18.878 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -5.248 5.305 17.769 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -6.453 4.755 16.621 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -7.306 6.534 18.002 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -8.169 5.102 18.297 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -7.002 5.634 19.410 1.00 1.00 H new ATOM 143 N ASN A 10 -1.699 2.482 15.075 1.00 1.00 N ATOM 144 CA ASN A 10 -0.285 2.808 15.144 1.00 1.00 C ATOM 145 C ASN A 10 0.016 3.962 14.184 1.00 1.00 C ATOM 146 O ASN A 10 1.164 4.381 14.052 1.00 1.00 O ATOM 147 CB ASN A 10 0.577 1.613 14.730 1.00 1.00 C ATOM 148 CG ASN A 10 0.329 0.415 15.649 1.00 1.00 C ATOM 149 OD1 ASN A 10 -0.722 -0.204 15.635 1.00 1.00 O ATOM 150 ND2 ASN A 10 1.353 0.124 16.446 1.00 1.00 N ATOM 0 H ASN A 10 -1.935 1.743 14.413 1.00 1.00 H new ATOM 0 HA ASN A 10 -0.052 3.082 16.173 1.00 1.00 H new ATOM 0 HB2 ASN A 10 0.353 1.338 13.699 1.00 1.00 H new ATOM 0 HB3 ASN A 10 1.631 1.890 14.764 1.00 1.00 H new ATOM 0 HD21 ASN A 10 1.287 -0.659 17.097 1.00 1.00 H new ATOM 0 HD22 ASN A 10 2.205 0.684 16.407 1.00 1.00 H new ATOM 157 N GLY A 11 -1.037 4.442 13.539 1.00 1.00 N ATOM 158 CA GLY A 11 -0.901 5.539 12.596 1.00 1.00 C ATOM 159 C GLY A 11 -1.420 5.140 11.213 1.00 1.00 C ATOM 160 O GLY A 11 -0.817 4.310 10.535 1.00 1.00 O ATOM 0 H GLY A 11 -1.988 4.091 13.651 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -1.453 6.406 12.959 1.00 1.00 H new ATOM 0 HA3 GLY A 11 0.146 5.834 12.524 1.00 1.00 H new ATOM 164 N ASP A 12 -2.534 5.751 10.836 1.00 1.00 N ATOM 165 CA ASP A 12 -3.142 5.470 9.547 1.00 1.00 C ATOM 166 C ASP A 12 -2.061 5.485 8.464 1.00 1.00 C ATOM 167 O ASP A 12 -0.970 6.012 8.679 1.00 1.00 O ATOM 168 CB ASP A 12 -4.185 6.530 9.187 1.00 1.00 C ATOM 169 CG ASP A 12 -5.634 6.139 9.487 1.00 1.00 C ATOM 170 OD1 ASP A 12 -6.567 6.925 9.265 1.00 1.00 O ATOM 171 OD2 ASP A 12 -5.789 4.955 9.976 1.00 1.00 O ATOM 0 H ASP A 12 -3.031 6.440 11.401 1.00 1.00 H new ATOM 0 HA ASP A 12 -3.625 4.495 9.608 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -3.952 7.446 9.729 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -4.098 6.757 8.125 1.00 1.00 H new ATOM 177 N VAL A 13 -2.401 4.901 7.325 1.00 1.00 N ATOM 178 CA VAL A 13 -1.473 4.841 6.208 1.00 1.00 C ATOM 179 C VAL A 13 -2.160 5.373 4.950 1.00 1.00 C ATOM 180 O VAL A 13 -2.746 4.607 4.187 1.00 1.00 O ATOM 181 CB VAL A 13 -0.945 3.414 6.043 1.00 1.00 C ATOM 182 CG1 VAL A 13 0.229 3.374 5.063 1.00 1.00 C ATOM 183 CG2 VAL A 13 -0.551 2.816 7.395 1.00 1.00 C ATOM 0 H VAL A 13 -3.306 4.465 7.151 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.606 5.475 6.397 1.00 1.00 H new ATOM 0 HB VAL A 13 -1.748 2.805 5.628 1.00 1.00 H new ATOM 0 HG11 VAL A 13 0.585 2.349 4.964 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.097 3.741 4.090 1.00 1.00 H new ATOM 0 HG13 VAL A 13 1.036 4.004 5.436 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -0.179 1.802 7.250 1.00 1.00 H new ATOM 0 HG22 VAL A 13 0.229 3.427 7.850 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -1.422 2.793 8.050 1.00 1.00 H new ATOM 193 N LYS A 14 -2.067 6.683 4.772 1.00 1.00 N ATOM 194 CA LYS A 14 -2.672 7.327 3.618 1.00 1.00 C ATOM 195 C LYS A 14 -2.001 6.814 2.343 1.00 1.00 C ATOM 196 O LYS A 14 -0.875 7.200 2.032 1.00 1.00 O ATOM 197 CB LYS A 14 -2.626 8.849 3.769 1.00 1.00 C ATOM 198 CG LYS A 14 -2.974 9.541 2.449 1.00 1.00 C ATOM 199 CD LYS A 14 -1.994 10.677 2.152 1.00 1.00 C ATOM 200 CE LYS A 14 -2.437 11.975 2.831 1.00 1.00 C ATOM 201 NZ LYS A 14 -3.631 12.532 2.157 1.00 1.00 N ATOM 0 H LYS A 14 -1.582 7.316 5.408 1.00 1.00 H new ATOM 0 HA LYS A 14 -3.729 7.069 3.548 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -3.326 9.163 4.544 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -1.632 9.156 4.094 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -2.952 8.815 1.636 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -3.989 9.935 2.497 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -0.998 10.403 2.499 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -1.925 10.831 1.075 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -2.660 11.785 3.881 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -1.625 12.702 2.804 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -3.710 13.546 2.373 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -3.541 12.403 1.129 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -4.482 12.039 2.495 1.00 1.00 H new ATOM 214 N LEU A 15 -2.721 5.953 1.638 1.00 1.00 N ATOM 215 CA LEU A 15 -2.209 5.384 0.403 1.00 1.00 C ATOM 216 C LEU A 15 -2.807 6.138 -0.786 1.00 1.00 C ATOM 217 O LEU A 15 -4.017 6.167 -1.000 1.00 1.00 O ATOM 218 CB LEU A 15 -2.460 3.875 0.364 1.00 1.00 C ATOM 219 CG LEU A 15 -2.474 3.234 -1.025 1.00 1.00 C ATOM 220 CD1 LEU A 15 -1.123 2.594 -1.347 1.00 1.00 C ATOM 221 CD2 LEU A 15 -3.627 2.236 -1.155 1.00 1.00 C ATOM 0 H LEU A 15 -3.655 5.636 1.899 1.00 1.00 H new ATOM 0 HA LEU A 15 -1.127 5.505 0.347 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -1.692 3.383 0.962 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -3.417 3.673 0.845 1.00 1.00 H new ATOM 0 HG LEU A 15 -2.642 4.019 -1.763 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -1.160 2.146 -2.340 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -0.344 3.356 -1.322 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -0.900 1.823 -0.609 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -3.615 1.794 -2.151 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -3.514 1.450 -0.408 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -4.574 2.752 -0.998 1.00 1.00 H new ATOM 233 N PRO A 16 -1.917 6.756 -1.567 1.00 1.00 N ATOM 234 CA PRO A 16 -2.260 7.523 -2.745 1.00 1.00 C ATOM 235 C PRO A 16 -2.671 6.581 -3.867 1.00 1.00 C ATOM 236 O PRO A 16 -1.969 6.516 -4.875 1.00 1.00 O ATOM 237 CB PRO A 16 -0.983 8.280 -3.105 1.00 1.00 C ATOM 238 CG PRO A 16 0.112 7.374 -2.601 1.00 1.00 C ATOM 239 CD PRO A 16 -0.488 6.742 -1.346 1.00 1.00 C ATOM 0 HA PRO A 16 -3.096 8.203 -2.580 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -0.904 8.447 -4.179 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -0.947 9.259 -2.627 1.00 1.00 H new ATOM 0 HG2 PRO A 16 0.379 6.619 -3.341 1.00 1.00 H new ATOM 0 HG3 PRO A 16 1.020 7.932 -2.373 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -0.121 5.726 -1.202 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -0.221 7.307 -0.453 1.00 1.00 H new ATOM 247 N HIS A 17 -3.779 5.879 -3.678 1.00 1.00 N ATOM 248 CA HIS A 17 -4.257 4.950 -4.687 1.00 1.00 C ATOM 249 C HIS A 17 -4.017 5.535 -6.080 1.00 1.00 C ATOM 250 O HIS A 17 -3.374 4.906 -6.919 1.00 1.00 O ATOM 251 CB HIS A 17 -5.724 4.589 -4.441 1.00 1.00 C ATOM 252 CG HIS A 17 -6.222 3.438 -5.282 1.00 1.00 C ATOM 253 ND1 HIS A 17 -7.101 3.606 -6.338 1.00 1.00 N ATOM 254 CD2 HIS A 17 -5.956 2.102 -5.212 1.00 1.00 C ATOM 255 CE1 HIS A 17 -7.346 2.418 -6.871 1.00 1.00 C ATOM 256 NE2 HIS A 17 -6.635 1.487 -6.172 1.00 1.00 N ATOM 0 H HIS A 17 -4.359 5.935 -2.841 1.00 1.00 H new ATOM 0 HA HIS A 17 -3.697 4.017 -4.622 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -5.855 4.339 -3.388 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -6.341 5.465 -4.640 1.00 1.00 H new ATOM 0 HD1 HIS A 17 -7.493 4.493 -6.652 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -5.303 1.625 -4.496 1.00 1.00 H new ATOM 0 HE1 HIS A 17 -7.995 2.221 -7.712 1.00 1.00 H new ATOM 264 N LYS A 18 -4.545 6.733 -6.282 1.00 1.00 N ATOM 265 CA LYS A 18 -4.395 7.411 -7.559 1.00 1.00 C ATOM 266 C LYS A 18 -2.937 7.317 -8.014 1.00 1.00 C ATOM 267 O LYS A 18 -2.641 6.708 -9.040 1.00 1.00 O ATOM 268 CB LYS A 18 -4.921 8.845 -7.469 1.00 1.00 C ATOM 269 CG LYS A 18 -4.678 9.601 -8.778 1.00 1.00 C ATOM 270 CD LYS A 18 -4.564 11.106 -8.528 1.00 1.00 C ATOM 271 CE LYS A 18 -5.947 11.744 -8.385 1.00 1.00 C ATOM 272 NZ LYS A 18 -6.094 12.879 -9.324 1.00 1.00 N ATOM 0 H LYS A 18 -5.077 7.252 -5.583 1.00 1.00 H new ATOM 0 HA LYS A 18 -4.999 6.922 -8.323 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -5.988 8.832 -7.245 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -4.429 9.366 -6.647 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -3.765 9.237 -9.249 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -5.495 9.405 -9.473 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -3.982 11.285 -7.624 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -4.026 11.575 -9.352 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -6.719 11.000 -8.581 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -6.090 12.090 -7.361 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -7.038 13.301 -9.214 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -5.369 13.596 -9.119 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -5.978 12.539 -10.300 1.00 1.00 H new ATOM 285 N ALA A 19 -2.065 7.930 -7.227 1.00 1.00 N ATOM 286 CA ALA A 19 -0.645 7.923 -7.535 1.00 1.00 C ATOM 287 C ALA A 19 -0.203 6.493 -7.853 1.00 1.00 C ATOM 288 O ALA A 19 0.421 6.247 -8.884 1.00 1.00 O ATOM 289 CB ALA A 19 0.134 8.528 -6.366 1.00 1.00 C ATOM 0 H ALA A 19 -2.314 8.435 -6.377 1.00 1.00 H new ATOM 0 HA ALA A 19 -0.440 8.534 -8.414 1.00 1.00 H new ATOM 0 HB1 ALA A 19 1.199 8.523 -6.597 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -0.196 9.553 -6.201 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -0.045 7.940 -5.466 1.00 1.00 H new ATOM 295 N HIS A 20 -0.545 5.588 -6.948 1.00 1.00 N ATOM 296 CA HIS A 20 -0.191 4.189 -7.119 1.00 1.00 C ATOM 297 C HIS A 20 -0.857 3.642 -8.383 1.00 1.00 C ATOM 298 O HIS A 20 -0.392 2.658 -8.958 1.00 1.00 O ATOM 299 CB HIS A 20 -0.543 3.383 -5.867 1.00 1.00 C ATOM 300 CG HIS A 20 0.454 3.528 -4.742 1.00 1.00 C ATOM 301 ND1 HIS A 20 0.364 4.524 -3.785 1.00 1.00 N ATOM 302 CD2 HIS A 20 1.561 2.794 -4.431 1.00 1.00 C ATOM 303 CE1 HIS A 20 1.377 4.387 -2.942 1.00 1.00 C ATOM 304 NE2 HIS A 20 2.118 3.314 -3.344 1.00 1.00 N ATOM 0 H HIS A 20 -1.063 5.796 -6.094 1.00 1.00 H new ATOM 0 HA HIS A 20 0.887 4.096 -7.249 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -1.525 3.695 -5.511 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -0.621 2.330 -6.136 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -0.359 5.242 -3.737 1.00 1.00 H new ATOM 0 HD2 HIS A 20 1.923 1.935 -4.977 1.00 1.00 H new ATOM 0 HE1 HIS A 20 1.580 5.014 -2.087 1.00 1.00 H new ATOM 312 N GLN A 21 -1.935 4.303 -8.779 1.00 1.00 N ATOM 313 CA GLN A 21 -2.669 3.895 -9.964 1.00 1.00 C ATOM 314 C GLN A 21 -1.991 4.442 -11.222 1.00 1.00 C ATOM 315 O GLN A 21 -2.441 4.181 -12.337 1.00 1.00 O ATOM 316 CB GLN A 21 -4.129 4.347 -9.887 1.00 1.00 C ATOM 317 CG GLN A 21 -5.011 3.251 -9.287 1.00 1.00 C ATOM 318 CD GLN A 21 -6.494 3.584 -9.463 1.00 1.00 C ATOM 319 OE1 GLN A 21 -7.240 2.881 -10.125 1.00 1.00 O ATOM 320 NE2 GLN A 21 -6.879 4.692 -8.835 1.00 1.00 N ATOM 0 H GLN A 21 -2.317 5.118 -8.300 1.00 1.00 H new ATOM 0 HA GLN A 21 -2.662 2.806 -10.015 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -4.202 5.250 -9.281 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -4.488 4.602 -10.884 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -4.789 2.297 -9.766 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -4.784 3.136 -8.227 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -6.203 5.235 -8.297 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -7.850 4.999 -8.891 1.00 1.00 H new ATOM 329 N LYS A 22 -0.920 5.189 -11.002 1.00 1.00 N ATOM 330 CA LYS A 22 -0.176 5.775 -12.104 1.00 1.00 C ATOM 331 C LYS A 22 1.273 5.286 -12.052 1.00 1.00 C ATOM 332 O LYS A 22 1.862 4.969 -13.084 1.00 1.00 O ATOM 333 CB LYS A 22 -0.312 7.299 -12.093 1.00 1.00 C ATOM 334 CG LYS A 22 0.295 7.913 -13.356 1.00 1.00 C ATOM 335 CD LYS A 22 1.824 7.893 -13.295 1.00 1.00 C ATOM 336 CE LYS A 22 2.404 9.262 -13.656 1.00 1.00 C ATOM 337 NZ LYS A 22 2.526 10.109 -12.448 1.00 1.00 N ATOM 0 H LYS A 22 -0.549 5.402 -10.076 1.00 1.00 H new ATOM 0 HA LYS A 22 -0.589 5.449 -13.059 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -1.364 7.573 -12.021 1.00 1.00 H new ATOM 0 HB3 LYS A 22 0.185 7.706 -11.212 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -0.045 7.361 -14.232 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -0.055 8.939 -13.470 1.00 1.00 H new ATOM 0 HD2 LYS A 22 2.148 7.609 -12.294 1.00 1.00 H new ATOM 0 HD3 LYS A 22 2.209 7.138 -13.981 1.00 1.00 H new ATOM 0 HE2 LYS A 22 3.382 9.138 -14.120 1.00 1.00 H new ATOM 0 HE3 LYS A 22 1.763 9.753 -14.388 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 2.921 11.034 -12.711 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 1.587 10.242 -12.021 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 3.156 9.646 -11.762 1.00 1.00 H new ATOM 350 N ALA A 23 1.805 5.241 -10.839 1.00 1.00 N ATOM 351 CA ALA A 23 3.174 4.796 -10.639 1.00 1.00 C ATOM 352 C ALA A 23 3.274 3.305 -10.967 1.00 1.00 C ATOM 353 O ALA A 23 4.359 2.801 -11.254 1.00 1.00 O ATOM 354 CB ALA A 23 3.608 5.108 -9.205 1.00 1.00 C ATOM 0 H ALA A 23 1.313 5.505 -9.985 1.00 1.00 H new ATOM 0 HA ALA A 23 3.852 5.327 -11.308 1.00 1.00 H new ATOM 0 HB1 ALA A 23 4.635 4.774 -9.055 1.00 1.00 H new ATOM 0 HB2 ALA A 23 3.547 6.182 -9.032 1.00 1.00 H new ATOM 0 HB3 ALA A 23 2.952 4.590 -8.505 1.00 1.00 H new ATOM 360 N VAL A 24 2.129 2.642 -10.915 1.00 1.00 N ATOM 361 CA VAL A 24 2.074 1.219 -11.203 1.00 1.00 C ATOM 362 C VAL A 24 1.106 0.974 -12.362 1.00 1.00 C ATOM 363 O VAL A 24 -0.076 0.692 -12.177 1.00 1.00 O ATOM 364 CB VAL A 24 1.701 0.443 -9.939 1.00 1.00 C ATOM 365 CG1 VAL A 24 1.332 -1.004 -10.272 1.00 1.00 C ATOM 366 CG2 VAL A 24 2.831 0.496 -8.909 1.00 1.00 C ATOM 0 H VAL A 24 1.231 3.064 -10.678 1.00 1.00 H new ATOM 0 HA VAL A 24 3.053 0.855 -11.515 1.00 1.00 H new ATOM 0 HB VAL A 24 0.825 0.920 -9.501 1.00 1.00 H new ATOM 0 HG11 VAL A 24 1.071 -1.533 -9.355 1.00 1.00 H new ATOM 0 HG12 VAL A 24 0.480 -1.015 -10.952 1.00 1.00 H new ATOM 0 HG13 VAL A 24 2.181 -1.496 -10.746 1.00 1.00 H new ATOM 0 HG21 VAL A 24 2.540 -0.064 -8.020 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.733 0.056 -9.335 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.027 1.533 -8.637 1.00 1.00 H new ATOM 376 N PRO A 25 1.642 1.091 -13.580 1.00 1.00 N ATOM 377 CA PRO A 25 0.911 0.901 -14.814 1.00 1.00 C ATOM 378 C PRO A 25 0.537 -0.567 -14.966 1.00 1.00 C ATOM 379 O PRO A 25 0.870 -1.162 -15.989 1.00 1.00 O ATOM 380 CB PRO A 25 1.879 1.336 -15.913 1.00 1.00 C ATOM 381 CG PRO A 25 3.027 2.097 -15.203 1.00 1.00 C ATOM 382 CD PRO A 25 3.027 1.421 -13.834 1.00 1.00 C ATOM 0 HA PRO A 25 -0.018 1.471 -14.849 1.00 1.00 H new ATOM 0 HB2 PRO A 25 2.263 0.473 -16.458 1.00 1.00 H new ATOM 0 HB3 PRO A 25 1.380 1.976 -16.641 1.00 1.00 H new ATOM 0 HG2 PRO A 25 3.980 1.980 -15.720 1.00 1.00 H new ATOM 0 HG3 PRO A 25 2.831 3.167 -15.134 1.00 1.00 H new ATOM 0 HD2 PRO A 25 3.652 0.528 -13.835 1.00 1.00 H new ATOM 0 HD3 PRO A 25 3.422 2.086 -13.066 1.00 1.00 H new ATOM 390 N ASP A 26 -0.134 -1.115 -13.963 1.00 1.00 N ATOM 391 CA ASP A 26 -0.537 -2.510 -14.008 1.00 1.00 C ATOM 392 C ASP A 26 -1.395 -2.827 -12.781 1.00 1.00 C ATOM 393 O ASP A 26 -0.880 -3.271 -11.757 1.00 1.00 O ATOM 394 CB ASP A 26 0.680 -3.437 -13.985 1.00 1.00 C ATOM 395 CG ASP A 26 0.975 -4.149 -15.307 1.00 1.00 C ATOM 396 OD1 ASP A 26 1.607 -5.215 -15.330 1.00 1.00 O ATOM 397 OD2 ASP A 26 0.520 -3.557 -16.358 1.00 1.00 O ATOM 0 H ASP A 26 -0.408 -0.618 -13.115 1.00 1.00 H new ATOM 0 HA ASP A 26 -1.095 -2.670 -14.931 1.00 1.00 H new ATOM 0 HB2 ASP A 26 1.556 -2.855 -13.700 1.00 1.00 H new ATOM 0 HB3 ASP A 26 0.531 -4.189 -13.210 1.00 1.00 H new ATOM 403 N CYS A 27 -2.690 -2.587 -12.927 1.00 1.00 N ATOM 404 CA CYS A 27 -3.625 -2.842 -11.844 1.00 1.00 C ATOM 405 C CYS A 27 -3.773 -4.356 -11.683 1.00 1.00 C ATOM 406 O CYS A 27 -4.863 -4.899 -11.855 1.00 1.00 O ATOM 407 CB CYS A 27 -4.973 -2.160 -12.088 1.00 1.00 C ATOM 408 SG CYS A 27 -4.881 -0.591 -13.026 1.00 1.00 S ATOM 0 H CYS A 27 -3.114 -2.219 -13.779 1.00 1.00 H new ATOM 0 HA CYS A 27 -3.238 -2.415 -10.919 1.00 1.00 H new ATOM 0 HB2 CYS A 27 -5.622 -2.851 -12.626 1.00 1.00 H new ATOM 0 HB3 CYS A 27 -5.445 -1.964 -11.125 1.00 1.00 H new ATOM 413 N LYS A 28 -2.660 -4.995 -11.354 1.00 1.00 N ATOM 414 CA LYS A 28 -2.651 -6.436 -11.167 1.00 1.00 C ATOM 415 C LYS A 28 -1.685 -6.794 -10.036 1.00 1.00 C ATOM 416 O LYS A 28 -2.045 -7.527 -9.116 1.00 1.00 O ATOM 417 CB LYS A 28 -2.343 -7.145 -12.487 1.00 1.00 C ATOM 418 CG LYS A 28 -1.493 -6.259 -13.400 1.00 1.00 C ATOM 419 CD LYS A 28 -1.276 -6.923 -14.761 1.00 1.00 C ATOM 420 CE LYS A 28 0.060 -7.667 -14.802 1.00 1.00 C ATOM 421 NZ LYS A 28 -0.134 -9.100 -14.489 1.00 1.00 N ATOM 0 H LYS A 28 -1.758 -4.541 -11.212 1.00 1.00 H new ATOM 0 HA LYS A 28 -3.638 -6.787 -10.866 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -1.817 -8.079 -12.288 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -3.274 -7.405 -12.990 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -1.983 -5.295 -13.536 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -0.530 -6.064 -12.929 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -2.090 -7.619 -14.964 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -1.300 -6.167 -15.546 1.00 1.00 H new ATOM 0 HE2 LYS A 28 0.511 -7.562 -15.789 1.00 1.00 H new ATOM 0 HE3 LYS A 28 0.752 -7.223 -14.086 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 0.670 -9.445 -13.927 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -1.013 -9.221 -13.946 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -0.196 -9.643 -15.374 1.00 1.00 H new ATOM 434 N LYS A 29 -0.477 -6.261 -10.142 1.00 1.00 N ATOM 435 CA LYS A 29 0.544 -6.515 -9.140 1.00 1.00 C ATOM 436 C LYS A 29 0.010 -6.118 -7.762 1.00 1.00 C ATOM 437 O LYS A 29 0.545 -6.542 -6.739 1.00 1.00 O ATOM 438 CB LYS A 29 1.851 -5.816 -9.517 1.00 1.00 C ATOM 439 CG LYS A 29 2.810 -5.765 -8.326 1.00 1.00 C ATOM 440 CD LYS A 29 3.402 -7.146 -8.039 1.00 1.00 C ATOM 441 CE LYS A 29 4.910 -7.057 -7.797 1.00 1.00 C ATOM 442 NZ LYS A 29 5.229 -7.372 -6.387 1.00 1.00 N ATOM 0 H LYS A 29 -0.182 -5.654 -10.907 1.00 1.00 H new ATOM 0 HA LYS A 29 0.779 -7.578 -9.097 1.00 1.00 H new ATOM 0 HB2 LYS A 29 2.323 -6.343 -10.346 1.00 1.00 H new ATOM 0 HB3 LYS A 29 1.640 -4.804 -9.862 1.00 1.00 H new ATOM 0 HG2 LYS A 29 3.613 -5.057 -8.531 1.00 1.00 H new ATOM 0 HG3 LYS A 29 2.282 -5.402 -7.445 1.00 1.00 H new ATOM 0 HD2 LYS A 29 2.915 -7.580 -7.166 1.00 1.00 H new ATOM 0 HD3 LYS A 29 3.204 -7.812 -8.879 1.00 1.00 H new ATOM 0 HE2 LYS A 29 5.432 -7.750 -8.457 1.00 1.00 H new ATOM 0 HE3 LYS A 29 5.265 -6.056 -8.041 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 6.033 -8.031 -6.352 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 5.477 -6.497 -5.883 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 4.402 -7.810 -5.934 1.00 1.00 H new ATOM 455 N CYS A 30 -1.039 -5.308 -7.780 1.00 1.00 N ATOM 456 CA CYS A 30 -1.651 -4.849 -6.545 1.00 1.00 C ATOM 457 C CYS A 30 -3.007 -5.542 -6.395 1.00 1.00 C ATOM 458 O CYS A 30 -3.440 -5.831 -5.280 1.00 1.00 O ATOM 459 CB CYS A 30 -1.782 -3.325 -6.511 1.00 1.00 C ATOM 460 SG CYS A 30 -0.485 -2.610 -5.435 1.00 1.00 S ATOM 0 H CYS A 30 -1.480 -4.958 -8.630 1.00 1.00 H new ATOM 0 HA CYS A 30 -1.014 -5.112 -5.700 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -1.693 -2.921 -7.520 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -2.768 -3.045 -6.141 1.00 1.00 H new ATOM 465 N HIS A 31 -3.640 -5.787 -7.533 1.00 1.00 N ATOM 466 CA HIS A 31 -4.938 -6.440 -7.542 1.00 1.00 C ATOM 467 C HIS A 31 -4.804 -7.840 -8.146 1.00 1.00 C ATOM 468 O HIS A 31 -4.554 -7.983 -9.342 1.00 1.00 O ATOM 469 CB HIS A 31 -5.974 -5.579 -8.266 1.00 1.00 C ATOM 470 CG HIS A 31 -6.389 -4.345 -7.501 1.00 1.00 C ATOM 471 ND1 HIS A 31 -7.154 -4.399 -6.349 1.00 1.00 N ATOM 472 CD2 HIS A 31 -6.138 -3.025 -7.735 1.00 1.00 C ATOM 473 CE1 HIS A 31 -7.348 -3.161 -5.918 1.00 1.00 C ATOM 474 NE2 HIS A 31 -6.718 -2.311 -6.779 1.00 1.00 N ATOM 0 H HIS A 31 -3.278 -5.545 -8.455 1.00 1.00 H new ATOM 0 HA HIS A 31 -5.298 -6.556 -6.520 1.00 1.00 H new ATOM 0 HB2 HIS A 31 -5.569 -5.276 -9.232 1.00 1.00 H new ATOM 0 HB3 HIS A 31 -6.858 -6.184 -8.467 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -7.508 -5.247 -5.907 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -5.564 -2.628 -8.559 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -7.907 -2.875 -5.039 1.00 1.00 H new ATOM 482 N GLU A 32 -4.976 -8.837 -7.291 1.00 1.00 N ATOM 483 CA GLU A 32 -4.877 -10.220 -7.725 1.00 1.00 C ATOM 484 C GLU A 32 -6.119 -10.615 -8.527 1.00 1.00 C ATOM 485 O GLU A 32 -6.224 -10.297 -9.711 1.00 1.00 O ATOM 486 CB GLU A 32 -4.676 -11.156 -6.531 1.00 1.00 C ATOM 487 CG GLU A 32 -4.693 -12.621 -6.974 1.00 1.00 C ATOM 488 CD GLU A 32 -3.672 -13.444 -6.186 1.00 1.00 C ATOM 489 OE1 GLU A 32 -4.058 -14.305 -5.381 1.00 1.00 O ATOM 490 OE2 GLU A 32 -2.438 -13.164 -6.435 1.00 1.00 O ATOM 0 H GLU A 32 -5.183 -8.715 -6.300 1.00 1.00 H new ATOM 0 HA GLU A 32 -4.005 -10.316 -8.372 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -3.728 -10.931 -6.043 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -5.461 -10.986 -5.795 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -5.690 -13.037 -6.829 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -4.472 -12.685 -8.040 1.00 1.00 H new ATOM 498 N LYS A 33 -7.028 -11.301 -7.851 1.00 1.00 N ATOM 499 CA LYS A 33 -8.259 -11.741 -8.486 1.00 1.00 C ATOM 500 C LYS A 33 -8.775 -10.636 -9.409 1.00 1.00 C ATOM 501 O LYS A 33 -9.428 -10.916 -10.414 1.00 1.00 O ATOM 502 CB LYS A 33 -9.275 -12.189 -7.433 1.00 1.00 C ATOM 503 CG LYS A 33 -8.912 -13.564 -6.871 1.00 1.00 C ATOM 504 CD LYS A 33 -8.334 -13.445 -5.459 1.00 1.00 C ATOM 505 CE LYS A 33 -9.449 -13.348 -4.416 1.00 1.00 C ATOM 506 NZ LYS A 33 -8.997 -13.905 -3.122 1.00 1.00 N ATOM 0 H LYS A 33 -6.937 -11.563 -6.869 1.00 1.00 H new ATOM 0 HA LYS A 33 -8.075 -12.616 -9.109 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -9.311 -11.460 -6.624 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -10.271 -12.224 -7.875 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -9.798 -14.199 -6.853 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -8.187 -14.048 -7.525 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -7.706 -14.310 -5.245 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -7.695 -12.564 -5.397 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -9.745 -12.307 -4.287 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -10.329 -13.889 -4.764 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -9.622 -13.568 -2.362 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -9.029 -14.944 -3.161 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -8.023 -13.595 -2.932 1.00 1.00 H new ATOM 519 N GLY A 34 -8.464 -9.403 -9.035 1.00 1.00 N ATOM 520 CA GLY A 34 -8.889 -8.255 -9.817 1.00 1.00 C ATOM 521 C GLY A 34 -9.042 -7.016 -8.932 1.00 1.00 C ATOM 522 O GLY A 34 -8.884 -7.060 -7.715 1.00 1.00 O ATOM 0 H GLY A 34 -7.923 -9.175 -8.201 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -8.161 -8.057 -10.604 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -9.837 -8.475 -10.308 1.00 1.00 H new ATOM 526 N PRO A 35 -9.359 -5.894 -9.583 1.00 1.00 N ATOM 527 CA PRO A 35 -9.555 -4.609 -8.946 1.00 1.00 C ATOM 528 C PRO A 35 -10.642 -4.725 -7.888 1.00 1.00 C ATOM 529 O PRO A 35 -11.766 -5.090 -8.228 1.00 1.00 O ATOM 530 CB PRO A 35 -9.986 -3.674 -10.074 1.00 1.00 C ATOM 531 CG PRO A 35 -10.509 -4.633 -11.212 1.00 1.00 C ATOM 532 CD PRO A 35 -9.552 -5.806 -11.014 1.00 1.00 C ATOM 0 HA PRO A 35 -8.659 -4.243 -8.444 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -10.767 -2.989 -9.744 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -9.153 -3.064 -10.422 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -11.553 -4.916 -11.074 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -10.428 -4.189 -12.204 1.00 1.00 H new ATOM 0 HD2 PRO A 35 -9.972 -6.729 -11.413 1.00 1.00 H new ATOM 0 HD3 PRO A 35 -8.607 -5.636 -11.530 1.00 1.00 H new ATOM 540 N GLY A 36 -10.297 -4.418 -6.646 1.00 1.00 N ATOM 541 CA GLY A 36 -11.260 -4.497 -5.560 1.00 1.00 C ATOM 542 C GLY A 36 -10.582 -4.918 -4.255 1.00 1.00 C ATOM 543 O GLY A 36 -9.389 -4.684 -4.068 1.00 1.00 O ATOM 0 H GLY A 36 -9.364 -4.114 -6.367 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -11.743 -3.529 -5.427 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -12.042 -5.212 -5.814 1.00 1.00 H new ATOM 547 N LYS A 37 -11.372 -5.532 -3.387 1.00 1.00 N ATOM 548 CA LYS A 37 -10.863 -5.988 -2.104 1.00 1.00 C ATOM 549 C LYS A 37 -9.779 -7.043 -2.337 1.00 1.00 C ATOM 550 O LYS A 37 -9.833 -7.788 -3.314 1.00 1.00 O ATOM 551 CB LYS A 37 -12.010 -6.471 -1.214 1.00 1.00 C ATOM 552 CG LYS A 37 -12.407 -7.907 -1.561 1.00 1.00 C ATOM 553 CD LYS A 37 -13.436 -8.447 -0.566 1.00 1.00 C ATOM 554 CE LYS A 37 -14.826 -8.522 -1.202 1.00 1.00 C ATOM 555 NZ LYS A 37 -15.025 -9.833 -1.860 1.00 1.00 N ATOM 0 H LYS A 37 -12.361 -5.725 -3.546 1.00 1.00 H new ATOM 0 HA LYS A 37 -10.396 -5.164 -1.564 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -11.711 -6.416 -0.167 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -12.870 -5.813 -1.335 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -12.819 -7.941 -2.570 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -11.522 -8.544 -1.556 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -13.134 -9.438 -0.226 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -13.469 -7.804 0.314 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -15.590 -8.372 -0.439 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -14.942 -7.721 -1.932 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -15.973 -9.867 -2.286 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -14.307 -9.962 -2.601 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -14.935 -10.592 -1.155 1.00 1.00 H new ATOM 568 N ILE A 38 -8.821 -7.072 -1.422 1.00 1.00 N ATOM 569 CA ILE A 38 -7.726 -8.023 -1.515 1.00 1.00 C ATOM 570 C ILE A 38 -7.822 -9.019 -0.358 1.00 1.00 C ATOM 571 O ILE A 38 -8.049 -8.628 0.786 1.00 1.00 O ATOM 572 CB ILE A 38 -6.385 -7.291 -1.587 1.00 1.00 C ATOM 573 CG1 ILE A 38 -6.419 -6.186 -2.645 1.00 1.00 C ATOM 574 CG2 ILE A 38 -5.236 -8.273 -1.820 1.00 1.00 C ATOM 575 CD1 ILE A 38 -5.218 -5.249 -2.498 1.00 1.00 C ATOM 0 H ILE A 38 -8.780 -6.452 -0.613 1.00 1.00 H new ATOM 0 HA ILE A 38 -7.798 -8.598 -2.438 1.00 1.00 H new ATOM 0 HB ILE A 38 -6.207 -6.810 -0.625 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -6.418 -6.630 -3.640 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -7.343 -5.616 -2.551 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -4.294 -7.726 -1.867 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.199 -8.990 -1.000 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.395 -8.803 -2.759 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -5.266 -4.473 -3.262 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.235 -4.788 -1.511 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.296 -5.818 -2.617 1.00 1.00 H new ATOM 587 N GLU A 39 -7.645 -10.288 -0.696 1.00 1.00 N ATOM 588 CA GLU A 39 -7.709 -11.344 0.301 1.00 1.00 C ATOM 589 C GLU A 39 -6.299 -11.749 0.736 1.00 1.00 C ATOM 590 O GLU A 39 -5.457 -12.073 -0.100 1.00 1.00 O ATOM 591 CB GLU A 39 -8.488 -12.550 -0.227 1.00 1.00 C ATOM 592 CG GLU A 39 -9.996 -12.327 -0.102 1.00 1.00 C ATOM 593 CD GLU A 39 -10.731 -13.652 0.111 1.00 1.00 C ATOM 594 OE1 GLU A 39 -10.998 -14.375 -0.861 1.00 1.00 O ATOM 595 OE2 GLU A 39 -11.024 -13.922 1.337 1.00 1.00 O ATOM 0 H GLU A 39 -7.457 -10.609 -1.646 1.00 1.00 H new ATOM 0 HA GLU A 39 -8.241 -10.963 1.172 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -8.228 -12.726 -1.271 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -8.202 -13.443 0.328 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -10.200 -11.656 0.732 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -10.371 -11.840 -1.002 1.00 1.00 H new ATOM 603 N GLY A 40 -6.086 -11.717 2.043 1.00 1.00 N ATOM 604 CA GLY A 40 -4.793 -12.077 2.600 1.00 1.00 C ATOM 605 C GLY A 40 -4.115 -10.864 3.241 1.00 1.00 C ATOM 606 O GLY A 40 -3.553 -10.966 4.330 1.00 1.00 O ATOM 0 H GLY A 40 -6.787 -11.447 2.733 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -4.920 -12.863 3.345 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -4.155 -12.482 1.815 1.00 1.00 H new ATOM 610 N PHE A 41 -4.191 -9.744 2.537 1.00 1.00 N ATOM 611 CA PHE A 41 -3.592 -8.513 3.024 1.00 1.00 C ATOM 612 C PHE A 41 -4.217 -8.087 4.354 1.00 1.00 C ATOM 613 O PHE A 41 -5.364 -7.645 4.391 1.00 1.00 O ATOM 614 CB PHE A 41 -3.870 -7.434 1.975 1.00 1.00 C ATOM 615 CG PHE A 41 -3.179 -6.099 2.256 1.00 1.00 C ATOM 616 CD1 PHE A 41 -3.712 -5.234 3.160 1.00 1.00 C ATOM 617 CD2 PHE A 41 -2.030 -5.777 1.603 1.00 1.00 C ATOM 618 CE1 PHE A 41 -3.071 -3.994 3.421 1.00 1.00 C ATOM 619 CE2 PHE A 41 -1.388 -4.537 1.864 1.00 1.00 C ATOM 620 CZ PHE A 41 -1.922 -3.672 2.768 1.00 1.00 C ATOM 0 H PHE A 41 -4.658 -9.663 1.634 1.00 1.00 H new ATOM 0 HA PHE A 41 -2.524 -8.658 3.185 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -3.549 -7.799 1.000 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -4.946 -7.269 1.915 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -4.623 -5.490 3.680 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -1.606 -6.464 0.886 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -3.496 -3.307 4.138 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -0.476 -4.281 1.345 1.00 1.00 H new ATOM 0 HZ PHE A 41 -1.434 -2.730 2.967 1.00 1.00 H new ATOM 630 N GLY A 42 -3.435 -8.235 5.413 1.00 1.00 N ATOM 631 CA GLY A 42 -3.897 -7.872 6.741 1.00 1.00 C ATOM 632 C GLY A 42 -2.815 -7.109 7.509 1.00 1.00 C ATOM 633 O GLY A 42 -3.115 -6.162 8.235 1.00 1.00 O ATOM 0 H GLY A 42 -2.484 -8.602 5.378 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -4.794 -7.258 6.663 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -4.174 -8.771 7.292 1.00 1.00 H new ATOM 637 N LYS A 43 -1.580 -7.550 7.323 1.00 1.00 N ATOM 638 CA LYS A 43 -0.452 -6.921 7.988 1.00 1.00 C ATOM 639 C LYS A 43 0.841 -7.308 7.268 1.00 1.00 C ATOM 640 O LYS A 43 1.358 -6.541 6.457 1.00 1.00 O ATOM 641 CB LYS A 43 -0.451 -7.263 9.480 1.00 1.00 C ATOM 642 CG LYS A 43 0.491 -6.339 10.254 1.00 1.00 C ATOM 643 CD LYS A 43 1.481 -7.147 11.096 1.00 1.00 C ATOM 644 CE LYS A 43 1.933 -6.353 12.323 1.00 1.00 C ATOM 645 NZ LYS A 43 3.400 -6.162 12.306 1.00 1.00 N ATOM 0 H LYS A 43 -1.336 -8.336 6.721 1.00 1.00 H new ATOM 0 HA LYS A 43 -0.535 -5.836 7.933 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -1.462 -7.174 9.878 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -0.144 -8.300 9.619 1.00 1.00 H new ATOM 0 HG2 LYS A 43 1.036 -5.702 9.557 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -0.089 -5.681 10.900 1.00 1.00 H new ATOM 0 HD2 LYS A 43 1.017 -8.081 11.413 1.00 1.00 H new ATOM 0 HD3 LYS A 43 2.348 -7.412 10.490 1.00 1.00 H new ATOM 0 HE2 LYS A 43 1.434 -5.384 12.340 1.00 1.00 H new ATOM 0 HE3 LYS A 43 1.639 -6.878 13.232 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 3.663 -5.434 13.000 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 3.870 -7.058 12.549 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 3.700 -5.860 11.357 1.00 1.00 H new ATOM 658 N GLU A 44 1.326 -8.499 7.589 1.00 1.00 N ATOM 659 CA GLU A 44 2.549 -8.997 6.983 1.00 1.00 C ATOM 660 C GLU A 44 2.663 -8.507 5.538 1.00 1.00 C ATOM 661 O GLU A 44 3.725 -8.053 5.115 1.00 1.00 O ATOM 662 CB GLU A 44 2.610 -10.524 7.049 1.00 1.00 C ATOM 663 CG GLU A 44 3.310 -10.990 8.328 1.00 1.00 C ATOM 664 CD GLU A 44 3.136 -9.965 9.451 1.00 1.00 C ATOM 665 OE1 GLU A 44 2.047 -9.864 10.035 1.00 1.00 O ATOM 666 OE2 GLU A 44 4.184 -9.259 9.712 1.00 1.00 O ATOM 0 H GLU A 44 0.894 -9.133 8.261 1.00 1.00 H new ATOM 0 HA GLU A 44 3.396 -8.607 7.547 1.00 1.00 H new ATOM 0 HB2 GLU A 44 1.601 -10.934 7.013 1.00 1.00 H new ATOM 0 HB3 GLU A 44 3.142 -10.908 6.178 1.00 1.00 H new ATOM 0 HG2 GLU A 44 2.902 -11.951 8.641 1.00 1.00 H new ATOM 0 HG3 GLU A 44 4.371 -11.143 8.131 1.00 1.00 H new ATOM 674 N MET A 45 1.554 -8.613 4.821 1.00 1.00 N ATOM 675 CA MET A 45 1.516 -8.186 3.433 1.00 1.00 C ATOM 676 C MET A 45 2.065 -6.766 3.281 1.00 1.00 C ATOM 677 O MET A 45 3.055 -6.551 2.583 1.00 1.00 O ATOM 678 CB MET A 45 0.074 -8.233 2.923 1.00 1.00 C ATOM 679 CG MET A 45 -0.312 -9.652 2.500 1.00 1.00 C ATOM 680 SD MET A 45 -0.815 -10.599 3.927 1.00 1.00 S ATOM 681 CE MET A 45 0.348 -11.950 3.828 1.00 1.00 C ATOM 0 H MET A 45 0.675 -8.989 5.176 1.00 1.00 H new ATOM 0 HA MET A 45 2.140 -8.862 2.848 1.00 1.00 H new ATOM 0 HB2 MET A 45 -0.603 -7.885 3.703 1.00 1.00 H new ATOM 0 HB3 MET A 45 -0.039 -7.554 2.078 1.00 1.00 H new ATOM 0 HG2 MET A 45 -1.123 -9.616 1.773 1.00 1.00 H new ATOM 0 HG3 MET A 45 0.533 -10.137 2.011 1.00 1.00 H new ATOM 0 HE1 MET A 45 0.173 -12.642 4.652 1.00 1.00 H new ATOM 0 HE2 MET A 45 0.218 -12.473 2.881 1.00 1.00 H new ATOM 0 HE3 MET A 45 1.364 -11.561 3.891 1.00 1.00 H new ATOM 691 N ALA A 46 1.398 -5.834 3.945 1.00 1.00 N ATOM 692 CA ALA A 46 1.807 -4.441 3.893 1.00 1.00 C ATOM 693 C ALA A 46 3.271 -4.327 4.324 1.00 1.00 C ATOM 694 O ALA A 46 4.038 -3.568 3.734 1.00 1.00 O ATOM 695 CB ALA A 46 0.875 -3.602 4.769 1.00 1.00 C ATOM 0 H ALA A 46 0.577 -6.016 4.522 1.00 1.00 H new ATOM 0 HA ALA A 46 1.732 -4.057 2.876 1.00 1.00 H new ATOM 0 HB1 ALA A 46 1.182 -2.557 4.730 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -0.148 -3.694 4.404 1.00 1.00 H new ATOM 0 HB3 ALA A 46 0.926 -3.957 5.798 1.00 1.00 H new ATOM 701 N HIS A 47 3.614 -5.092 5.350 1.00 1.00 N ATOM 702 CA HIS A 47 4.972 -5.087 5.867 1.00 1.00 C ATOM 703 C HIS A 47 5.845 -6.020 5.025 1.00 1.00 C ATOM 704 O HIS A 47 6.977 -6.321 5.399 1.00 1.00 O ATOM 705 CB HIS A 47 4.988 -5.441 7.355 1.00 1.00 C ATOM 706 CG HIS A 47 4.153 -4.522 8.214 1.00 1.00 C ATOM 707 ND1 HIS A 47 3.313 -4.987 9.211 1.00 1.00 N ATOM 708 CD2 HIS A 47 4.039 -3.163 8.216 1.00 1.00 C ATOM 709 CE1 HIS A 47 2.723 -3.945 9.780 1.00 1.00 C ATOM 710 NE2 HIS A 47 3.174 -2.816 9.162 1.00 1.00 N ATOM 0 H HIS A 47 2.975 -5.720 5.837 1.00 1.00 H new ATOM 0 HA HIS A 47 5.392 -4.084 5.788 1.00 1.00 H new ATOM 0 HB2 HIS A 47 4.629 -6.463 7.479 1.00 1.00 H new ATOM 0 HB3 HIS A 47 6.018 -5.419 7.712 1.00 1.00 H new ATOM 0 HD1 HIS A 47 3.172 -5.965 9.465 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.563 -2.484 7.560 1.00 1.00 H new ATOM 0 HE1 HIS A 47 2.010 -3.983 10.591 1.00 1.00 H new ATOM 718 N GLY A 48 5.285 -6.451 3.905 1.00 1.00 N ATOM 719 CA GLY A 48 5.998 -7.344 3.007 1.00 1.00 C ATOM 720 C GLY A 48 5.428 -7.267 1.590 1.00 1.00 C ATOM 721 O GLY A 48 5.198 -6.177 1.068 1.00 1.00 O ATOM 0 H GLY A 48 4.345 -6.199 3.598 1.00 1.00 H new ATOM 0 HA2 GLY A 48 7.056 -7.082 2.992 1.00 1.00 H new ATOM 0 HA3 GLY A 48 5.929 -8.367 3.376 1.00 1.00 H new ATOM 725 N LYS A 49 5.216 -8.437 1.007 1.00 1.00 N ATOM 726 CA LYS A 49 4.677 -8.516 -0.340 1.00 1.00 C ATOM 727 C LYS A 49 3.257 -7.948 -0.351 1.00 1.00 C ATOM 728 O LYS A 49 2.285 -8.697 -0.436 1.00 1.00 O ATOM 729 CB LYS A 49 4.771 -9.948 -0.872 1.00 1.00 C ATOM 730 CG LYS A 49 4.224 -10.040 -2.298 1.00 1.00 C ATOM 731 CD LYS A 49 5.054 -11.009 -3.142 1.00 1.00 C ATOM 732 CE LYS A 49 5.707 -10.287 -4.323 1.00 1.00 C ATOM 733 NZ LYS A 49 6.393 -11.255 -5.207 1.00 1.00 N ATOM 0 H LYS A 49 5.408 -9.339 1.443 1.00 1.00 H new ATOM 0 HA LYS A 49 5.269 -7.907 -1.023 1.00 1.00 H new ATOM 0 HB2 LYS A 49 5.809 -10.279 -0.855 1.00 1.00 H new ATOM 0 HB3 LYS A 49 4.212 -10.619 -0.220 1.00 1.00 H new ATOM 0 HG2 LYS A 49 3.186 -10.372 -2.272 1.00 1.00 H new ATOM 0 HG3 LYS A 49 4.232 -9.052 -2.759 1.00 1.00 H new ATOM 0 HD2 LYS A 49 5.823 -11.469 -2.522 1.00 1.00 H new ATOM 0 HD3 LYS A 49 4.417 -11.814 -3.510 1.00 1.00 H new ATOM 0 HE2 LYS A 49 4.950 -9.743 -4.888 1.00 1.00 H new ATOM 0 HE3 LYS A 49 6.422 -9.550 -3.956 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 6.831 -10.749 -6.003 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 7.129 -11.756 -4.669 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 5.703 -11.942 -5.571 1.00 1.00 H new ATOM 746 N GLY A 50 3.181 -6.628 -0.262 1.00 1.00 N ATOM 747 CA GLY A 50 1.896 -5.951 -0.260 1.00 1.00 C ATOM 748 C GLY A 50 2.068 -4.447 -0.484 1.00 1.00 C ATOM 749 O GLY A 50 1.404 -3.863 -1.339 1.00 1.00 O ATOM 0 H GLY A 50 3.989 -6.010 -0.191 1.00 1.00 H new ATOM 0 HA2 GLY A 50 1.260 -6.368 -1.041 1.00 1.00 H new ATOM 0 HA3 GLY A 50 1.391 -6.125 0.690 1.00 1.00 H new ATOM 753 N CYS A 51 2.963 -3.863 0.299 1.00 1.00 N ATOM 754 CA CYS A 51 3.231 -2.439 0.198 1.00 1.00 C ATOM 755 C CYS A 51 4.744 -2.227 0.290 1.00 1.00 C ATOM 756 O CYS A 51 5.344 -1.617 -0.594 1.00 1.00 O ATOM 757 CB CYS A 51 2.477 -1.643 1.265 1.00 1.00 C ATOM 758 SG CYS A 51 0.679 -1.976 1.343 1.00 1.00 S ATOM 0 H CYS A 51 3.512 -4.351 1.007 1.00 1.00 H new ATOM 0 HA CYS A 51 2.870 -2.066 -0.761 1.00 1.00 H new ATOM 0 HB2 CYS A 51 2.915 -1.862 2.239 1.00 1.00 H new ATOM 0 HB3 CYS A 51 2.628 -0.580 1.079 1.00 1.00 H new ATOM 763 N LYS A 52 5.317 -2.742 1.367 1.00 1.00 N ATOM 764 CA LYS A 52 6.747 -2.617 1.587 1.00 1.00 C ATOM 765 C LYS A 52 7.494 -3.434 0.530 1.00 1.00 C ATOM 766 O LYS A 52 8.395 -2.922 -0.133 1.00 1.00 O ATOM 767 CB LYS A 52 7.105 -2.999 3.024 1.00 1.00 C ATOM 768 CG LYS A 52 7.889 -1.878 3.711 1.00 1.00 C ATOM 769 CD LYS A 52 9.361 -1.906 3.296 1.00 1.00 C ATOM 770 CE LYS A 52 10.097 -3.069 3.965 1.00 1.00 C ATOM 771 NZ LYS A 52 10.725 -2.626 5.230 1.00 1.00 N ATOM 0 H LYS A 52 4.816 -3.247 2.098 1.00 1.00 H new ATOM 0 HA LYS A 52 7.060 -1.579 1.471 1.00 1.00 H new ATOM 0 HB2 LYS A 52 6.195 -3.208 3.586 1.00 1.00 H new ATOM 0 HB3 LYS A 52 7.697 -3.914 3.024 1.00 1.00 H new ATOM 0 HG2 LYS A 52 7.453 -0.913 3.453 1.00 1.00 H new ATOM 0 HG3 LYS A 52 7.810 -1.984 4.793 1.00 1.00 H new ATOM 0 HD2 LYS A 52 9.435 -1.999 2.213 1.00 1.00 H new ATOM 0 HD3 LYS A 52 9.837 -0.964 3.569 1.00 1.00 H new ATOM 0 HE2 LYS A 52 9.399 -3.882 4.164 1.00 1.00 H new ATOM 0 HE3 LYS A 52 10.859 -3.460 3.291 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 11.220 -3.427 5.671 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 11.406 -1.865 5.032 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 9.991 -2.274 5.877 1.00 1.00 H new ATOM 784 N GLY A 53 7.092 -4.690 0.406 1.00 1.00 N ATOM 785 CA GLY A 53 7.712 -5.582 -0.559 1.00 1.00 C ATOM 786 C GLY A 53 8.075 -4.834 -1.843 1.00 1.00 C ATOM 787 O GLY A 53 9.184 -4.976 -2.356 1.00 1.00 O ATOM 0 H GLY A 53 6.345 -5.111 0.958 1.00 1.00 H new ATOM 0 HA2 GLY A 53 8.609 -6.025 -0.126 1.00 1.00 H new ATOM 0 HA3 GLY A 53 7.032 -6.402 -0.791 1.00 1.00 H new ATOM 791 N CYS A 54 7.120 -4.054 -2.326 1.00 1.00 N ATOM 792 CA CYS A 54 7.325 -3.283 -3.541 1.00 1.00 C ATOM 793 C CYS A 54 8.231 -2.096 -3.209 1.00 1.00 C ATOM 794 O CYS A 54 9.146 -1.778 -3.967 1.00 1.00 O ATOM 795 CB CYS A 54 5.998 -2.835 -4.157 1.00 1.00 C ATOM 796 SG CYS A 54 6.288 -2.135 -5.823 1.00 1.00 S ATOM 0 H CYS A 54 6.201 -3.939 -1.898 1.00 1.00 H new ATOM 0 HA CYS A 54 7.807 -3.906 -4.294 1.00 1.00 H new ATOM 0 HB2 CYS A 54 5.314 -3.681 -4.223 1.00 1.00 H new ATOM 0 HB3 CYS A 54 5.524 -2.090 -3.518 1.00 1.00 H new ATOM 801 N HIS A 55 7.944 -1.472 -2.075 1.00 1.00 N ATOM 802 CA HIS A 55 8.722 -0.327 -1.634 1.00 1.00 C ATOM 803 C HIS A 55 10.193 -0.726 -1.499 1.00 1.00 C ATOM 804 O HIS A 55 11.079 -0.009 -1.960 1.00 1.00 O ATOM 805 CB HIS A 55 8.145 0.256 -0.343 1.00 1.00 C ATOM 806 CG HIS A 55 6.765 0.849 -0.499 1.00 1.00 C ATOM 807 ND1 HIS A 55 5.900 1.026 0.567 1.00 1.00 N ATOM 808 CD2 HIS A 55 6.110 1.303 -1.606 1.00 1.00 C ATOM 809 CE1 HIS A 55 4.778 1.563 0.110 1.00 1.00 C ATOM 810 NE2 HIS A 55 4.910 1.734 -1.237 1.00 1.00 N ATOM 0 H HIS A 55 7.184 -1.738 -1.449 1.00 1.00 H new ATOM 0 HA HIS A 55 8.664 0.465 -2.380 1.00 1.00 H new ATOM 0 HB2 HIS A 55 8.109 -0.528 0.413 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.820 1.027 0.029 1.00 1.00 H new ATOM 0 HD1 HIS A 55 6.093 0.784 1.539 1.00 1.00 H new ATOM 0 HD2 HIS A 55 6.502 1.311 -2.612 1.00 1.00 H new ATOM 0 HE1 HIS A 55 3.911 1.820 0.700 1.00 1.00 H new ATOM 818 N GLU A 56 10.406 -1.870 -0.865 1.00 1.00 N ATOM 819 CA GLU A 56 11.754 -2.373 -0.664 1.00 1.00 C ATOM 820 C GLU A 56 12.283 -3.007 -1.952 1.00 1.00 C ATOM 821 O GLU A 56 13.489 -3.022 -2.192 1.00 1.00 O ATOM 822 CB GLU A 56 11.800 -3.370 0.496 1.00 1.00 C ATOM 823 CG GLU A 56 10.590 -4.306 0.462 1.00 1.00 C ATOM 824 CD GLU A 56 10.991 -5.734 0.838 1.00 1.00 C ATOM 825 OE1 GLU A 56 11.928 -6.291 0.246 1.00 1.00 O ATOM 826 OE2 GLU A 56 10.292 -6.266 1.782 1.00 1.00 O ATOM 0 H GLU A 56 9.668 -2.462 -0.484 1.00 1.00 H new ATOM 0 HA GLU A 56 12.398 -1.533 -0.405 1.00 1.00 H new ATOM 0 HB2 GLU A 56 12.718 -3.955 0.442 1.00 1.00 H new ATOM 0 HB3 GLU A 56 11.821 -2.831 1.443 1.00 1.00 H new ATOM 0 HG2 GLU A 56 9.827 -3.945 1.152 1.00 1.00 H new ATOM 0 HG3 GLU A 56 10.148 -4.299 -0.534 1.00 1.00 H new ATOM 834 N GLU A 57 11.353 -3.514 -2.749 1.00 1.00 N ATOM 835 CA GLU A 57 11.710 -4.147 -4.007 1.00 1.00 C ATOM 836 C GLU A 57 12.068 -3.088 -5.051 1.00 1.00 C ATOM 837 O GLU A 57 12.983 -3.284 -5.850 1.00 1.00 O ATOM 838 CB GLU A 57 10.580 -5.049 -4.506 1.00 1.00 C ATOM 839 CG GLU A 57 10.844 -5.517 -5.939 1.00 1.00 C ATOM 840 CD GLU A 57 12.050 -6.458 -5.994 1.00 1.00 C ATOM 841 OE1 GLU A 57 13.038 -6.160 -6.681 1.00 1.00 O ATOM 842 OE2 GLU A 57 11.935 -7.533 -5.290 1.00 1.00 O ATOM 0 H GLU A 57 10.353 -3.499 -2.548 1.00 1.00 H new ATOM 0 HA GLU A 57 12.585 -4.775 -3.840 1.00 1.00 H new ATOM 0 HB2 GLU A 57 10.483 -5.914 -3.849 1.00 1.00 H new ATOM 0 HB3 GLU A 57 9.634 -4.509 -4.464 1.00 1.00 H new ATOM 0 HG2 GLU A 57 9.962 -6.027 -6.327 1.00 1.00 H new ATOM 0 HG3 GLU A 57 11.022 -4.654 -6.581 1.00 1.00 H new ATOM 850 N MET A 58 11.330 -1.989 -5.010 1.00 1.00 N ATOM 851 CA MET A 58 11.559 -0.899 -5.943 1.00 1.00 C ATOM 852 C MET A 58 12.506 0.144 -5.346 1.00 1.00 C ATOM 853 O MET A 58 13.403 0.635 -6.029 1.00 1.00 O ATOM 854 CB MET A 58 10.224 -0.236 -6.292 1.00 1.00 C ATOM 855 CG MET A 58 9.322 -1.196 -7.071 1.00 1.00 C ATOM 856 SD MET A 58 8.173 -0.272 -8.076 1.00 1.00 S ATOM 857 CE MET A 58 8.045 -1.364 -9.483 1.00 1.00 C ATOM 0 H MET A 58 10.573 -1.830 -4.345 1.00 1.00 H new ATOM 0 HA MET A 58 12.019 -1.307 -6.843 1.00 1.00 H new ATOM 0 HB2 MET A 58 9.721 0.080 -5.378 1.00 1.00 H new ATOM 0 HB3 MET A 58 10.403 0.661 -6.884 1.00 1.00 H new ATOM 0 HG2 MET A 58 9.928 -1.847 -7.701 1.00 1.00 H new ATOM 0 HG3 MET A 58 8.778 -1.839 -6.379 1.00 1.00 H new ATOM 0 HE1 MET A 58 7.360 -0.936 -10.215 1.00 1.00 H new ATOM 0 HE2 MET A 58 9.028 -1.490 -9.936 1.00 1.00 H new ATOM 0 HE3 MET A 58 7.668 -2.334 -9.158 1.00 1.00 H new ATOM 867 N LYS A 59 12.274 0.450 -4.079 1.00 1.00 N ATOM 868 CA LYS A 59 13.096 1.426 -3.382 1.00 1.00 C ATOM 869 C LYS A 59 12.663 2.835 -3.790 1.00 1.00 C ATOM 870 O LYS A 59 13.495 3.660 -4.165 1.00 1.00 O ATOM 871 CB LYS A 59 14.580 1.144 -3.622 1.00 1.00 C ATOM 872 CG LYS A 59 14.898 -0.338 -3.415 1.00 1.00 C ATOM 873 CD LYS A 59 15.444 -0.591 -2.009 1.00 1.00 C ATOM 874 CE LYS A 59 16.871 -1.140 -2.065 1.00 1.00 C ATOM 875 NZ LYS A 59 17.541 -0.977 -0.755 1.00 1.00 N ATOM 0 H LYS A 59 11.529 0.040 -3.516 1.00 1.00 H new ATOM 0 HA LYS A 59 12.951 1.348 -2.305 1.00 1.00 H new ATOM 0 HB2 LYS A 59 14.850 1.439 -4.636 1.00 1.00 H new ATOM 0 HB3 LYS A 59 15.183 1.747 -2.943 1.00 1.00 H new ATOM 0 HG2 LYS A 59 13.998 -0.932 -3.571 1.00 1.00 H new ATOM 0 HG3 LYS A 59 15.628 -0.664 -4.156 1.00 1.00 H new ATOM 0 HD2 LYS A 59 15.430 0.337 -1.437 1.00 1.00 H new ATOM 0 HD3 LYS A 59 14.799 -1.297 -1.486 1.00 1.00 H new ATOM 0 HE2 LYS A 59 16.851 -2.194 -2.341 1.00 1.00 H new ATOM 0 HE3 LYS A 59 17.437 -0.619 -2.837 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 18.508 -1.355 -0.810 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 17.577 0.032 -0.507 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 17.009 -1.494 -0.026 1.00 1.00 H new ATOM 888 N LYS A 60 11.362 3.069 -3.704 1.00 1.00 N ATOM 889 CA LYS A 60 10.809 4.364 -4.059 1.00 1.00 C ATOM 890 C LYS A 60 9.806 4.797 -2.988 1.00 1.00 C ATOM 891 O LYS A 60 9.824 5.943 -2.542 1.00 1.00 O ATOM 892 CB LYS A 60 10.222 4.327 -5.472 1.00 1.00 C ATOM 893 CG LYS A 60 11.255 4.776 -6.507 1.00 1.00 C ATOM 894 CD LYS A 60 11.537 3.664 -7.519 1.00 1.00 C ATOM 895 CE LYS A 60 12.065 4.241 -8.834 1.00 1.00 C ATOM 896 NZ LYS A 60 11.007 4.228 -9.868 1.00 1.00 N ATOM 0 H LYS A 60 10.674 2.383 -3.393 1.00 1.00 H new ATOM 0 HA LYS A 60 11.595 5.119 -4.084 1.00 1.00 H new ATOM 0 HB2 LYS A 60 9.886 3.316 -5.703 1.00 1.00 H new ATOM 0 HB3 LYS A 60 9.346 4.974 -5.523 1.00 1.00 H new ATOM 0 HG2 LYS A 60 10.892 5.662 -7.027 1.00 1.00 H new ATOM 0 HG3 LYS A 60 12.180 5.058 -6.004 1.00 1.00 H new ATOM 0 HD2 LYS A 60 12.265 2.967 -7.105 1.00 1.00 H new ATOM 0 HD3 LYS A 60 10.625 3.098 -7.706 1.00 1.00 H new ATOM 0 HE2 LYS A 60 12.414 5.261 -8.676 1.00 1.00 H new ATOM 0 HE3 LYS A 60 12.922 3.660 -9.175 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 11.382 4.623 -10.754 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 10.693 3.250 -10.031 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 10.201 4.802 -9.547 1.00 1.00 H new ATOM 909 N GLY A 61 8.954 3.857 -2.605 1.00 1.00 N ATOM 910 CA GLY A 61 7.946 4.127 -1.595 1.00 1.00 C ATOM 911 C GLY A 61 8.565 4.156 -0.196 1.00 1.00 C ATOM 912 O GLY A 61 9.778 4.071 -0.018 1.00 1.00 O ATOM 0 H GLY A 61 8.942 2.907 -2.977 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.464 5.082 -1.803 1.00 1.00 H new ATOM 0 HA3 GLY A 61 7.170 3.363 -1.637 1.00 1.00 H new ATOM 916 N PRO A 62 7.691 4.280 0.805 1.00 1.00 N ATOM 917 CA PRO A 62 8.056 4.327 2.205 1.00 1.00 C ATOM 918 C PRO A 62 8.445 2.934 2.679 1.00 1.00 C ATOM 919 O PRO A 62 7.774 1.972 2.309 1.00 1.00 O ATOM 920 CB PRO A 62 6.799 4.818 2.921 1.00 1.00 C ATOM 921 CG PRO A 62 5.676 4.171 2.027 1.00 1.00 C ATOM 922 CD PRO A 62 6.258 4.382 0.631 1.00 1.00 C ATOM 0 HA PRO A 62 8.908 4.978 2.399 1.00 1.00 H new ATOM 0 HB2 PRO A 62 6.752 4.476 3.955 1.00 1.00 H new ATOM 0 HB3 PRO A 62 6.734 5.906 2.942 1.00 1.00 H new ATOM 0 HG2 PRO A 62 5.524 3.116 2.255 1.00 1.00 H new ATOM 0 HG3 PRO A 62 4.713 4.666 2.152 1.00 1.00 H new ATOM 0 HD2 PRO A 62 5.891 3.631 -0.068 1.00 1.00 H new ATOM 0 HD3 PRO A 62 5.977 5.355 0.229 1.00 1.00 H new ATOM 930 N THR A 63 9.502 2.851 3.473 1.00 1.00 N ATOM 931 CA THR A 63 9.958 1.568 3.979 1.00 1.00 C ATOM 932 C THR A 63 10.364 1.689 5.450 1.00 1.00 C ATOM 933 O THR A 63 11.237 0.960 5.918 1.00 1.00 O ATOM 934 CB THR A 63 11.091 1.078 3.075 1.00 1.00 C ATOM 935 OG1 THR A 63 11.738 2.274 2.650 1.00 1.00 O ATOM 936 CG2 THR A 63 10.575 0.453 1.777 1.00 1.00 C ATOM 0 H THR A 63 10.056 3.651 3.778 1.00 1.00 H new ATOM 0 HA THR A 63 9.159 0.827 3.954 1.00 1.00 H new ATOM 0 HB THR A 63 11.696 0.349 3.614 1.00 1.00 H new ATOM 0 HG1 THR A 63 12.488 2.049 2.060 1.00 1.00 H new ATOM 0 HG21 THR A 63 11.419 0.122 1.172 1.00 1.00 H new ATOM 0 HG22 THR A 63 9.940 -0.401 2.012 1.00 1.00 H new ATOM 0 HG23 THR A 63 9.998 1.192 1.221 1.00 1.00 H new ATOM 944 N LYS A 64 9.712 2.615 6.136 1.00 1.00 N ATOM 945 CA LYS A 64 9.994 2.841 7.544 1.00 1.00 C ATOM 946 C LYS A 64 8.675 2.986 8.307 1.00 1.00 C ATOM 947 O LYS A 64 7.665 3.394 7.735 1.00 1.00 O ATOM 948 CB LYS A 64 10.939 4.031 7.716 1.00 1.00 C ATOM 949 CG LYS A 64 12.154 3.648 8.564 1.00 1.00 C ATOM 950 CD LYS A 64 13.115 4.830 8.710 1.00 1.00 C ATOM 951 CE LYS A 64 14.324 4.671 7.786 1.00 1.00 C ATOM 952 NZ LYS A 64 14.671 5.965 7.158 1.00 1.00 N ATOM 0 H LYS A 64 8.989 3.218 5.744 1.00 1.00 H new ATOM 0 HA LYS A 64 10.516 1.985 7.971 1.00 1.00 H new ATOM 0 HB2 LYS A 64 11.269 4.382 6.738 1.00 1.00 H new ATOM 0 HB3 LYS A 64 10.407 4.857 8.188 1.00 1.00 H new ATOM 0 HG2 LYS A 64 11.825 3.318 9.549 1.00 1.00 H new ATOM 0 HG3 LYS A 64 12.673 2.807 8.104 1.00 1.00 H new ATOM 0 HD2 LYS A 64 12.594 5.758 8.476 1.00 1.00 H new ATOM 0 HD3 LYS A 64 13.451 4.905 9.744 1.00 1.00 H new ATOM 0 HE2 LYS A 64 15.176 4.296 8.353 1.00 1.00 H new ATOM 0 HE3 LYS A 64 14.105 3.933 7.014 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 15.494 5.839 6.534 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 13.863 6.308 6.600 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 14.901 6.659 7.898 1.00 1.00 H new ATOM 965 N CYS A 65 8.728 2.645 9.586 1.00 1.00 N ATOM 966 CA CYS A 65 7.551 2.732 10.433 1.00 1.00 C ATOM 967 C CYS A 65 7.049 4.177 10.410 1.00 1.00 C ATOM 968 O CYS A 65 5.846 4.418 10.319 1.00 1.00 O ATOM 969 CB CYS A 65 7.841 2.252 11.856 1.00 1.00 C ATOM 970 SG CYS A 65 8.952 0.801 11.965 1.00 1.00 S ATOM 0 H CYS A 65 9.568 2.308 10.056 1.00 1.00 H new ATOM 0 HA CYS A 65 6.774 2.072 10.049 1.00 1.00 H new ATOM 0 HB2 CYS A 65 8.284 3.074 12.419 1.00 1.00 H new ATOM 0 HB3 CYS A 65 6.896 2.006 12.341 1.00 1.00 H new ATOM 975 N GLY A 66 7.995 5.100 10.493 1.00 1.00 N ATOM 976 CA GLY A 66 7.664 6.515 10.482 1.00 1.00 C ATOM 977 C GLY A 66 7.575 7.047 9.050 1.00 1.00 C ATOM 978 O GLY A 66 7.595 8.257 8.832 1.00 1.00 O ATOM 0 H GLY A 66 8.992 4.896 10.568 1.00 1.00 H new ATOM 0 HA2 GLY A 66 6.714 6.674 10.992 1.00 1.00 H new ATOM 0 HA3 GLY A 66 8.420 7.073 11.035 1.00 1.00 H new ATOM 982 N GLU A 67 7.478 6.116 8.112 1.00 1.00 N ATOM 983 CA GLU A 67 7.386 6.476 6.708 1.00 1.00 C ATOM 984 C GLU A 67 6.024 6.067 6.143 1.00 1.00 C ATOM 985 O GLU A 67 5.729 6.324 4.977 1.00 1.00 O ATOM 986 CB GLU A 67 8.525 5.845 5.904 1.00 1.00 C ATOM 987 CG GLU A 67 9.356 6.916 5.197 1.00 1.00 C ATOM 988 CD GLU A 67 10.071 6.337 3.974 1.00 1.00 C ATOM 989 OE1 GLU A 67 9.977 6.904 2.875 1.00 1.00 O ATOM 990 OE2 GLU A 67 10.745 5.260 4.196 1.00 1.00 O ATOM 0 H GLU A 67 7.461 5.113 8.297 1.00 1.00 H new ATOM 0 HA GLU A 67 7.482 7.558 6.624 1.00 1.00 H new ATOM 0 HB2 GLU A 67 9.164 5.263 6.568 1.00 1.00 H new ATOM 0 HB3 GLU A 67 8.115 5.153 5.168 1.00 1.00 H new ATOM 0 HG2 GLU A 67 8.710 7.738 4.890 1.00 1.00 H new ATOM 0 HG3 GLU A 67 10.089 7.329 5.890 1.00 1.00 H new ATOM 998 N CYS A 68 5.231 5.437 6.997 1.00 1.00 N ATOM 999 CA CYS A 68 3.907 4.990 6.597 1.00 1.00 C ATOM 1000 C CYS A 68 2.907 5.436 7.666 1.00 1.00 C ATOM 1001 O CYS A 68 1.995 6.212 7.383 1.00 1.00 O ATOM 1002 CB CYS A 68 3.865 3.477 6.372 1.00 1.00 C ATOM 1003 SG CYS A 68 3.854 3.111 4.579 1.00 1.00 S ATOM 0 H CYS A 68 5.479 5.225 7.963 1.00 1.00 H new ATOM 0 HA CYS A 68 3.641 5.441 5.641 1.00 1.00 H new ATOM 0 HB2 CYS A 68 4.729 3.007 6.842 1.00 1.00 H new ATOM 0 HB3 CYS A 68 2.977 3.055 6.843 1.00 1.00 H new ATOM 1008 N HIS A 69 3.111 4.926 8.872 1.00 1.00 N ATOM 1009 CA HIS A 69 2.238 5.262 9.984 1.00 1.00 C ATOM 1010 C HIS A 69 2.505 6.702 10.428 1.00 1.00 C ATOM 1011 O HIS A 69 3.541 6.989 11.025 1.00 1.00 O ATOM 1012 CB HIS A 69 2.395 4.252 11.122 1.00 1.00 C ATOM 1013 CG HIS A 69 2.068 2.830 10.730 1.00 1.00 C ATOM 1014 ND1 HIS A 69 0.772 2.388 10.525 1.00 1.00 N ATOM 1015 CD2 HIS A 69 2.880 1.758 10.508 1.00 1.00 C ATOM 1016 CE1 HIS A 69 0.815 1.106 10.195 1.00 1.00 C ATOM 1017 NE2 HIS A 69 2.122 0.717 10.185 1.00 1.00 N ATOM 0 H HIS A 69 3.868 4.283 9.103 1.00 1.00 H new ATOM 0 HA HIS A 69 1.197 5.203 9.665 1.00 1.00 H new ATOM 0 HB2 HIS A 69 3.421 4.290 11.489 1.00 1.00 H new ATOM 0 HB3 HIS A 69 1.749 4.548 11.949 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -0.072 2.953 10.613 1.00 1.00 H new ATOM 0 HD2 HIS A 69 3.957 1.756 10.582 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -0.036 0.479 9.973 1.00 1.00 H new ATOM 1025 N LYS A 70 1.551 7.568 10.120 1.00 1.00 N ATOM 1026 CA LYS A 70 1.670 8.971 10.481 1.00 1.00 C ATOM 1027 C LYS A 70 0.322 9.476 10.998 1.00 1.00 C ATOM 1028 O LYS A 70 -0.630 9.613 10.231 1.00 1.00 O ATOM 1029 CB LYS A 70 2.221 9.781 9.306 1.00 1.00 C ATOM 1030 CG LYS A 70 3.651 9.355 8.969 1.00 1.00 C ATOM 1031 CD LYS A 70 4.619 9.751 10.086 1.00 1.00 C ATOM 1032 CE LYS A 70 5.576 10.850 9.619 1.00 1.00 C ATOM 1033 NZ LYS A 70 6.954 10.565 10.075 1.00 1.00 N ATOM 0 H LYS A 70 0.693 7.326 9.625 1.00 1.00 H new ATOM 0 HA LYS A 70 2.389 9.097 11.290 1.00 1.00 H new ATOM 0 HB2 LYS A 70 1.582 9.644 8.434 1.00 1.00 H new ATOM 0 HB3 LYS A 70 2.202 10.843 9.551 1.00 1.00 H new ATOM 0 HG2 LYS A 70 3.687 8.276 8.818 1.00 1.00 H new ATOM 0 HG3 LYS A 70 3.961 9.819 8.033 1.00 1.00 H new ATOM 0 HD2 LYS A 70 4.057 10.098 10.953 1.00 1.00 H new ATOM 0 HD3 LYS A 70 5.189 8.878 10.404 1.00 1.00 H new ATOM 0 HE2 LYS A 70 5.554 10.922 8.532 1.00 1.00 H new ATOM 0 HE3 LYS A 70 5.250 11.814 10.009 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 7.574 11.361 9.823 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 6.958 10.435 11.107 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 7.299 9.698 9.616 1.00 1.00 H new ATOM 1046 N LYS A 71 0.283 9.739 12.296 1.00 1.00 N ATOM 1047 CA LYS A 71 -0.933 10.226 12.925 1.00 1.00 C ATOM 1048 C LYS A 71 -1.440 11.453 12.163 1.00 1.00 C ATOM 1049 O LYS A 71 -1.551 12.538 12.730 1.00 1.00 O ATOM 1050 CB LYS A 71 -0.701 10.482 14.415 1.00 1.00 C ATOM 1051 CG LYS A 71 -2.016 10.417 15.194 1.00 1.00 C ATOM 1052 CD LYS A 71 -2.268 11.720 15.955 1.00 1.00 C ATOM 1053 CE LYS A 71 -3.764 11.941 16.184 1.00 1.00 C ATOM 1054 NZ LYS A 71 -4.098 13.379 16.080 1.00 1.00 N ATOM 0 H LYS A 71 1.074 9.624 12.929 1.00 1.00 H new ATOM 0 HA LYS A 71 -1.717 9.470 12.873 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -0.003 9.744 14.810 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -0.241 11.461 14.552 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -2.841 10.228 14.507 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -1.987 9.582 15.895 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -1.750 11.691 16.914 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -1.855 12.558 15.394 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -4.338 11.375 15.450 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -4.046 11.566 17.168 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -5.117 13.511 16.238 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -3.565 13.912 16.796 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -3.847 13.726 15.132 1.00 1.00 H new TER 1067 LYS A 71 HETATM 1068 CHA HEM A 101 -9.035 -0.823 -4.003 1.00 1.00 C HETATM 1069 CHB HEM A 101 -9.231 -0.091 -8.814 1.00 1.00 C HETATM 1070 CHC HEM A 101 -4.368 0.117 -8.998 1.00 1.00 C HETATM 1071 CHD HEM A 101 -4.168 -0.913 -4.173 1.00 1.00 C HETATM 1072 C1A HEM A 101 -9.494 -0.699 -5.310 1.00 1.00 C HETATM 1073 C2A HEM A 101 -10.868 -0.888 -5.708 1.00 1.00 C HETATM 1074 C3A HEM A 101 -10.926 -0.685 -7.042 1.00 1.00 C HETATM 1075 C4A HEM A 101 -9.588 -0.369 -7.482 1.00 1.00 C HETATM 1076 CMA HEM A 101 -12.129 -0.763 -7.937 1.00 1.00 C HETATM 1077 CAA HEM A 101 -11.992 -1.243 -4.778 1.00 1.00 C HETATM 1078 CBA HEM A 101 -12.527 -0.062 -3.972 1.00 1.00 C HETATM 1079 CGA HEM A 101 -14.045 -0.103 -3.884 1.00 1.00 C HETATM 1080 O1A HEM A 101 -14.577 -1.227 -3.758 1.00 1.00 O HETATM 1081 O2A HEM A 101 -14.647 0.991 -3.944 1.00 1.00 O HETATM 1082 C1B HEM A 101 -7.924 0.064 -9.264 1.00 1.00 C HETATM 1083 C2B HEM A 101 -7.569 0.413 -10.620 1.00 1.00 C HETATM 1084 C3B HEM A 101 -6.221 0.471 -10.674 1.00 1.00 C HETATM 1085 C4B HEM A 101 -5.729 0.160 -9.353 1.00 1.00 C HETATM 1086 CMB HEM A 101 -8.550 0.655 -11.729 1.00 1.00 C HETATM 1087 CAB HEM A 101 -5.357 0.794 -11.858 1.00 1.00 C HETATM 1088 CBB HEM A 101 -5.918 1.894 -12.754 1.00 1.00 C HETATM 1089 C1C HEM A 101 -3.862 -0.190 -7.652 1.00 1.00 C HETATM 1090 C2C HEM A 101 -2.475 -0.397 -7.308 1.00 1.00 C HETATM 1091 C3C HEM A 101 -2.432 -0.686 -5.991 1.00 1.00 C HETATM 1092 C4C HEM A 101 -3.792 -0.661 -5.505 1.00 1.00 C HETATM 1093 CMC HEM A 101 -1.328 -0.298 -8.271 1.00 1.00 C HETATM 1094 CAC HEM A 101 -1.225 -0.983 -5.149 1.00 1.00 C HETATM 1095 CBC HEM A 101 -0.070 -0.006 -5.353 1.00 1.00 C HETATM 1096 C1D HEM A 101 -5.483 -0.969 -3.723 1.00 1.00 C HETATM 1097 C2D HEM A 101 -5.860 -1.229 -2.353 1.00 1.00 C HETATM 1098 C3D HEM A 101 -7.209 -1.205 -2.303 1.00 1.00 C HETATM 1099 C4D HEM A 101 -7.680 -0.929 -3.640 1.00 1.00 C HETATM 1100 CMD HEM A 101 -4.898 -1.475 -1.229 1.00 1.00 C HETATM 1101 CAD HEM A 101 -8.093 -1.419 -1.108 1.00 1.00 C HETATM 1102 CBD HEM A 101 -7.760 -2.673 -0.306 1.00 1.00 C HETATM 1103 CGD HEM A 101 -7.442 -2.328 1.142 1.00 1.00 C HETATM 1104 O1D HEM A 101 -8.094 -2.927 2.025 1.00 1.00 O HETATM 1105 O2D HEM A 101 -6.552 -1.473 1.340 1.00 1.00 O HETATM 1106 NA HEM A 101 -8.714 -0.380 -6.408 1.00 1.00 N HETATM 1107 NB HEM A 101 -6.785 -0.089 -8.493 1.00 1.00 N HETATM 1108 NC HEM A 101 -4.663 -0.355 -6.536 1.00 1.00 N HETATM 1109 ND HEM A 101 -6.609 -0.785 -4.505 1.00 1.00 N HETATM 1110 FE HEM A 101 -6.533 -0.449 -6.601 1.00 1.00 FE HETATM 0 HMA1 HEM A 101 -12.004 -0.077 -8.775 1.00 1.00 H new HETATM 0 HMA2 HEM A 101 -13.020 -0.488 -7.373 1.00 1.00 H new HETATM 0 HMA3 HEM A 101 -12.237 -1.780 -8.313 1.00 1.00 H new HETATM 0 HMB1 HEM A 101 -9.444 0.053 -11.562 1.00 1.00 H new HETATM 0 HMB2 HEM A 101 -8.098 0.377 -12.681 1.00 1.00 H new HETATM 0 HMB3 HEM A 101 -8.822 1.710 -11.750 1.00 1.00 H new HETATM 0 HMC1 HEM A 101 -1.666 -0.577 -9.269 1.00 1.00 H new HETATM 0 HMC2 HEM A 101 -0.530 -0.970 -7.957 1.00 1.00 H new HETATM 0 HMC3 HEM A 101 -0.954 0.726 -8.288 1.00 1.00 H new HETATM 0 HMD1 HEM A 101 -5.334 -1.124 -0.294 1.00 1.00 H new HETATM 0 HMD2 HEM A 101 -3.969 -0.937 -1.421 1.00 1.00 H new HETATM 0 HMD3 HEM A 101 -4.690 -2.542 -1.155 1.00 1.00 H new HETATM 0 HBB1 HEM A 101 -5.369 2.206 -13.642 1.00 1.00 H new HETATM 0 HBB2 HEM A 101 -6.868 2.368 -12.506 1.00 1.00 H new HETATM 0 HBC1 HEM A 101 0.855 -0.131 -4.790 1.00 1.00 H new HETATM 0 HBC2 HEM A 101 -0.170 0.816 -6.061 1.00 1.00 H new HETATM 0 HBA1 HEM A 101 -12.211 0.872 -4.436 1.00 1.00 H new HETATM 0 HBA2 HEM A 101 -12.101 -0.079 -2.969 1.00 1.00 H new HETATM 0 HAA1 HEM A 101 -11.650 -2.015 -4.089 1.00 1.00 H new HETATM 0 HAA2 HEM A 101 -12.808 -1.673 -5.358 1.00 1.00 H new HETATM 0 HBD1 HEM A 101 -6.908 -3.182 -0.757 1.00 1.00 H new HETATM 0 HBD2 HEM A 101 -8.601 -3.366 -0.342 1.00 1.00 H new HETATM 0 HAD1 HEM A 101 -9.129 -1.478 -1.441 1.00 1.00 H new HETATM 0 HAD2 HEM A 101 -8.018 -0.551 -0.453 1.00 1.00 H new HETATM 0 HHA HEM A 101 -9.770 -0.839 -3.212 1.00 1.00 H new HETATM 0 HHB HEM A 101 -10.027 0.009 -9.537 1.00 1.00 H new HETATM 0 HHC HEM A 101 -3.642 0.325 -9.770 1.00 1.00 H new HETATM 0 HHD HEM A 101 -3.382 -1.074 -3.450 1.00 1.00 H new HETATM 0 HAB HEM A 101 -4.413 0.288 -12.060 1.00 1.00 H new HETATM 0 HAC HEM A 101 -1.178 -1.821 -4.454 1.00 1.00 H new HETATM 1111 CHA HEM A 102 5.177 5.559 -2.659 1.00 1.00 C HETATM 1112 CHB HEM A 102 2.061 3.660 0.567 1.00 1.00 C HETATM 1113 CHC HEM A 102 1.786 -0.417 -2.083 1.00 1.00 C HETATM 1114 CHD HEM A 102 5.117 1.406 -5.201 1.00 1.00 C HETATM 1115 C1A HEM A 102 4.323 5.399 -1.572 1.00 1.00 C HETATM 1116 C2A HEM A 102 4.040 6.430 -0.603 1.00 1.00 C HETATM 1117 C3A HEM A 102 3.176 5.907 0.293 1.00 1.00 C HETATM 1118 C4A HEM A 102 2.916 4.546 -0.113 1.00 1.00 C HETATM 1119 CMA HEM A 102 2.575 6.574 1.496 1.00 1.00 C HETATM 1120 CAA HEM A 102 4.621 7.814 -0.626 1.00 1.00 C HETATM 1121 CBA HEM A 102 4.623 8.463 -2.007 1.00 1.00 C HETATM 1122 CGA HEM A 102 3.842 9.769 -2.000 1.00 1.00 C HETATM 1123 O1A HEM A 102 4.497 10.823 -2.155 1.00 1.00 O HETATM 1124 O2A HEM A 102 2.605 9.690 -1.841 1.00 1.00 O HETATM 1125 C1B HEM A 102 1.705 2.397 0.107 1.00 1.00 C HETATM 1126 C2B HEM A 102 0.743 1.537 0.755 1.00 1.00 C HETATM 1127 C3B HEM A 102 0.664 0.406 0.023 1.00 1.00 C HETATM 1128 C4B HEM A 102 1.577 0.554 -1.086 1.00 1.00 C HETATM 1129 CMB HEM A 102 -0.007 1.880 2.009 1.00 1.00 C HETATM 1130 CAB HEM A 102 -0.193 -0.800 0.274 1.00 1.00 C HETATM 1131 CBB HEM A 102 -1.614 -0.469 0.722 1.00 1.00 C HETATM 1132 C1C HEM A 102 2.723 -0.306 -3.187 1.00 1.00 C HETATM 1133 C2C HEM A 102 3.048 -1.342 -4.140 1.00 1.00 C HETATM 1134 C3C HEM A 102 3.965 -0.829 -4.987 1.00 1.00 C HETATM 1135 C4C HEM A 102 4.217 0.530 -4.568 1.00 1.00 C HETATM 1136 CMC HEM A 102 2.451 -2.719 -4.147 1.00 1.00 C HETATM 1137 CAC HEM A 102 4.624 -1.504 -6.154 1.00 1.00 C HETATM 1138 CBC HEM A 102 3.862 -2.717 -6.681 1.00 1.00 C HETATM 1139 C1D HEM A 102 5.342 2.722 -4.812 1.00 1.00 C HETATM 1140 C2D HEM A 102 6.046 3.696 -5.613 1.00 1.00 C HETATM 1141 C3D HEM A 102 6.065 4.848 -4.911 1.00 1.00 C HETATM 1142 C4D HEM A 102 5.372 4.600 -3.669 1.00 1.00 C HETATM 1143 CMD HEM A 102 6.632 3.430 -6.969 1.00 1.00 C HETATM 1144 CAD HEM A 102 6.676 6.161 -5.306 1.00 1.00 C HETATM 1145 CBD HEM A 102 6.246 6.656 -6.684 1.00 1.00 C HETATM 1146 CGD HEM A 102 7.293 6.321 -7.737 1.00 1.00 C HETATM 1147 O1D HEM A 102 8.492 6.421 -7.397 1.00 1.00 O HETATM 1148 O2D HEM A 102 6.875 5.971 -8.862 1.00 1.00 O HETATM 1149 NA HEM A 102 3.626 4.244 -1.262 1.00 1.00 N HETATM 1150 NB HEM A 102 2.213 1.782 -1.025 1.00 1.00 N HETATM 1151 NC HEM A 102 3.448 0.841 -3.460 1.00 1.00 N HETATM 1152 ND HEM A 102 4.932 3.289 -3.618 1.00 1.00 N HETATM 1153 FE HEM A 102 3.693 2.575 -2.387 1.00 1.00 FE HETATM 0 HMA1 HEM A 102 3.268 7.322 1.882 1.00 1.00 H new HETATM 0 HMA2 HEM A 102 2.380 5.828 2.266 1.00 1.00 H new HETATM 0 HMA3 HEM A 102 1.639 7.057 1.215 1.00 1.00 H new HETATM 0 HMB1 HEM A 102 -0.977 1.384 2.000 1.00 1.00 H new HETATM 0 HMB2 HEM A 102 -0.152 2.959 2.063 1.00 1.00 H new HETATM 0 HMB3 HEM A 102 0.563 1.547 2.876 1.00 1.00 H new HETATM 0 HMC1 HEM A 102 2.420 -3.097 -5.169 1.00 1.00 H new HETATM 0 HMC2 HEM A 102 1.439 -2.679 -3.744 1.00 1.00 H new HETATM 0 HMC3 HEM A 102 3.060 -3.383 -3.533 1.00 1.00 H new HETATM 0 HMD1 HEM A 102 6.931 2.384 -7.038 1.00 1.00 H new HETATM 0 HMD2 HEM A 102 7.504 4.067 -7.120 1.00 1.00 H new HETATM 0 HMD3 HEM A 102 5.888 3.646 -7.736 1.00 1.00 H new HETATM 0 HBB1 HEM A 102 -2.320 -1.272 0.931 1.00 1.00 H new HETATM 0 HBB2 HEM A 102 -1.922 0.571 0.832 1.00 1.00 H new HETATM 0 HBC1 HEM A 102 4.254 -3.281 -7.528 1.00 1.00 H new HETATM 0 HBC2 HEM A 102 2.926 -3.019 -6.211 1.00 1.00 H new HETATM 0 HBA1 HEM A 102 4.187 7.779 -2.734 1.00 1.00 H new HETATM 0 HBA2 HEM A 102 5.649 8.651 -2.322 1.00 1.00 H new HETATM 0 HAA1 HEM A 102 5.644 7.774 -0.253 1.00 1.00 H new HETATM 0 HAA2 HEM A 102 4.057 8.445 0.060 1.00 1.00 H new HETATM 0 HBD1 HEM A 102 6.088 7.734 -6.654 1.00 1.00 H new HETATM 0 HBD2 HEM A 102 5.293 6.202 -6.956 1.00 1.00 H new HETATM 0 HAD1 HEM A 102 7.762 6.065 -5.288 1.00 1.00 H new HETATM 0 HAD2 HEM A 102 6.410 6.912 -4.562 1.00 1.00 H new HETATM 0 HHA HEM A 102 5.729 6.485 -2.732 1.00 1.00 H new HETATM 0 HHB HEM A 102 1.652 3.983 1.513 1.00 1.00 H new HETATM 0 HHC HEM A 102 1.200 -1.322 -2.022 1.00 1.00 H new HETATM 0 HHD HEM A 102 5.672 1.031 -6.048 1.00 1.00 H new HETATM 0 HAB HEM A 102 0.167 -1.821 0.148 1.00 1.00 H new HETATM 0 HAC HEM A 102 5.563 -1.159 -6.587 1.00 1.00 H new HETATM 1154 CHA HEM A 103 -0.508 -2.215 10.323 1.00 1.00 C HETATM 1155 CHB HEM A 103 3.554 -1.716 12.964 1.00 1.00 C HETATM 1156 CHC HEM A 103 5.943 -0.087 9.045 1.00 1.00 C HETATM 1157 CHD HEM A 103 1.681 -0.103 6.519 1.00 1.00 C HETATM 1158 C1A HEM A 103 0.396 -2.200 11.380 1.00 1.00 C HETATM 1159 C2A HEM A 103 0.062 -2.562 12.738 1.00 1.00 C HETATM 1160 C3A HEM A 103 1.186 -2.425 13.472 1.00 1.00 C HETATM 1161 C4A HEM A 103 2.227 -1.977 12.577 1.00 1.00 C HETATM 1162 CMA HEM A 103 1.367 -2.679 14.941 1.00 1.00 C HETATM 1163 CAA HEM A 103 -1.296 -3.004 13.200 1.00 1.00 C HETATM 1164 CBA HEM A 103 -2.224 -1.856 13.587 1.00 1.00 C HETATM 1165 CGA HEM A 103 -2.824 -2.078 14.968 1.00 1.00 C HETATM 1166 O1A HEM A 103 -3.112 -1.058 15.631 1.00 1.00 O HETATM 1167 O2A HEM A 103 -2.983 -3.262 15.334 1.00 1.00 O HETATM 1168 C1B HEM A 103 4.563 -1.313 12.096 1.00 1.00 C HETATM 1169 C2B HEM A 103 5.968 -1.308 12.431 1.00 1.00 C HETATM 1170 C3B HEM A 103 6.633 -0.857 11.347 1.00 1.00 C HETATM 1171 C4B HEM A 103 5.647 -0.578 10.330 1.00 1.00 C HETATM 1172 CMB HEM A 103 6.537 -1.734 13.753 1.00 1.00 C HETATM 1173 CAB HEM A 103 8.113 -0.665 11.184 1.00 1.00 C HETATM 1174 CBB HEM A 103 8.941 -1.897 11.539 1.00 1.00 C HETATM 1175 C1C HEM A 103 4.953 0.018 7.931 1.00 1.00 C HETATM 1176 C2C HEM A 103 5.189 0.689 6.674 1.00 1.00 C HETATM 1177 C3C HEM A 103 4.012 0.720 6.014 1.00 1.00 C HETATM 1178 C4C HEM A 103 3.036 0.068 6.855 1.00 1.00 C HETATM 1179 CMC HEM A 103 6.514 1.234 6.227 1.00 1.00 C HETATM 1180 CAC HEM A 103 3.726 1.307 4.662 1.00 1.00 C HETATM 1181 CBC HEM A 103 4.660 0.815 3.561 1.00 1.00 C HETATM 1182 C1D HEM A 103 0.736 -0.713 7.337 1.00 1.00 C HETATM 1183 C2D HEM A 103 -0.618 -1.011 6.932 1.00 1.00 C HETATM 1184 C3D HEM A 103 -1.227 -1.597 7.984 1.00 1.00 C HETATM 1185 C4D HEM A 103 -0.257 -1.668 9.052 1.00 1.00 C HETATM 1186 CMD HEM A 103 -1.196 -0.708 5.581 1.00 1.00 C HETATM 1187 CAD HEM A 103 -2.640 -2.095 8.074 1.00 1.00 C HETATM 1188 CBD HEM A 103 -2.991 -3.157 7.036 1.00 1.00 C HETATM 1189 CGD HEM A 103 -4.304 -2.829 6.339 1.00 1.00 C HETATM 1190 O1D HEM A 103 -4.463 -1.651 5.954 1.00 1.00 O HETATM 1191 O2D HEM A 103 -5.123 -3.764 6.205 1.00 1.00 O HETATM 1192 NA HEM A 103 1.730 -1.841 11.293 1.00 1.00 N HETATM 1193 NB HEM A 103 4.377 -0.862 10.801 1.00 1.00 N HETATM 1194 NC HEM A 103 3.625 -0.359 8.032 1.00 1.00 N HETATM 1195 ND HEM A 103 0.947 -1.121 8.643 1.00 1.00 N HETATM 1196 FE HEM A 103 2.713 -0.954 9.678 1.00 1.00 FE HETATM 0 HMA1 HEM A 103 0.430 -2.484 15.462 1.00 1.00 H new HETATM 0 HMA2 HEM A 103 2.143 -2.021 15.331 1.00 1.00 H new HETATM 0 HMA3 HEM A 103 1.660 -3.717 15.097 1.00 1.00 H new HETATM 0 HMB1 HEM A 103 5.812 -1.536 14.542 1.00 1.00 H new HETATM 0 HMB2 HEM A 103 7.452 -1.176 13.952 1.00 1.00 H new HETATM 0 HMB3 HEM A 103 6.761 -2.800 13.726 1.00 1.00 H new HETATM 0 HMC1 HEM A 103 7.095 1.538 7.098 1.00 1.00 H new HETATM 0 HMC2 HEM A 103 6.353 2.096 5.579 1.00 1.00 H new HETATM 0 HMC3 HEM A 103 7.058 0.465 5.679 1.00 1.00 H new HETATM 0 HMD1 HEM A 103 -1.962 -1.445 5.340 1.00 1.00 H new HETATM 0 HMD2 HEM A 103 -0.406 -0.746 4.831 1.00 1.00 H new HETATM 0 HMD3 HEM A 103 -1.640 0.288 5.590 1.00 1.00 H new HETATM 0 HBB1 HEM A 103 10.027 -1.866 11.456 1.00 1.00 H new HETATM 0 HBB2 HEM A 103 8.446 -2.808 11.876 1.00 1.00 H new HETATM 0 HBC1 HEM A 103 4.539 1.179 2.541 1.00 1.00 H new HETATM 0 HBC2 HEM A 103 5.448 0.099 3.795 1.00 1.00 H new HETATM 0 HBA1 HEM A 103 -3.022 -1.766 12.850 1.00 1.00 H new HETATM 0 HBA2 HEM A 103 -1.671 -0.917 13.574 1.00 1.00 H new HETATM 0 HAA1 HEM A 103 -1.179 -3.668 14.057 1.00 1.00 H new HETATM 0 HAA2 HEM A 103 -1.766 -3.586 12.408 1.00 1.00 H new HETATM 0 HBD1 HEM A 103 -3.065 -4.131 7.519 1.00 1.00 H new HETATM 0 HBD2 HEM A 103 -2.192 -3.227 6.298 1.00 1.00 H new HETATM 0 HAD1 HEM A 103 -3.320 -1.251 7.959 1.00 1.00 H new HETATM 0 HAD2 HEM A 103 -2.807 -2.506 9.070 1.00 1.00 H new HETATM 0 HHA HEM A 103 -1.469 -2.679 10.490 1.00 1.00 H new HETATM 0 HHB HEM A 103 3.807 -1.837 14.007 1.00 1.00 H new HETATM 0 HHC HEM A 103 6.955 0.236 8.851 1.00 1.00 H new HETATM 0 HHD HEM A 103 1.351 0.265 5.559 1.00 1.00 H new HETATM 0 HAB HEM A 103 8.556 0.270 10.843 1.00 1.00 H new HETATM 0 HAC HEM A 103 2.922 2.021 4.483 1.00 1.00 H new