USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 534 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 17 HIS HE2 : A 17 HIS NE2 : A 101 HEMFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 102 HEMFE :(H bumps) USER MOD NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 101 HEMFE :(H bumps) USER MOD NoAdj-H: A 47 HIS HE2 : A 47 HIS NE2 : A 103 HEMFE :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 102 HEMFE :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 103 HEMFE :(H bumps) USER MOD Set 1.1: A 10 ASN : amide:sc= -5.74! C(o=-7.2!,f=-13!) USER MOD Set 1.2: A 43 LYS NZ :NH3+ 172:sc= 0 (180deg=0) USER MOD Set 1.3: A 103 HEM CMA :methyl 150:sc= -1.47 (180deg=-0.0642) USER MOD Single : A 1 ALA N :NH3+ -140:sc= 0.108 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -7.09! C(o=-7.1!,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 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+ -133:sc= 0 (180deg=-1.09) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HEM CMA :methyl 150:sc= -0.227 (180deg=-0.227) USER MOD Single : A 101 HEM CMB :methyl -30:sc= -1.5 (180deg=-4.45!) USER MOD Single : A 101 HEM CMC :methyl -30:sc= -2.13 (180deg=-4.87!) USER MOD Single : A 101 HEM CMD :methyl 150:sc= -1.84 (180deg=-1.84) USER MOD Single : A 102 HEM CMA :methyl 150:sc= -0.111 (180deg=-0.111) USER MOD Single : A 102 HEM CMB :methyl 150:sc= -6.08! (180deg=-6.08!) USER MOD Single : A 102 HEM CMC :methyl 150:sc= -11.4! (180deg=-11.4!) USER MOD Single : A 102 HEM CMD :methyl -30:sc= -1.85! (180deg=-3.5) USER MOD Single : A 103 HEM CMB :methyl -30:sc= -0.235 (180deg=-1.49) USER MOD Single : A 103 HEM CMC :methyl -30:sc= -5.58! (180deg=-6.98!) USER MOD Single : A 103 HEM CMD :methyl 150:sc= -3.16 (180deg=-3.16) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.039 11.308 -1.633 1.00 1.00 N ATOM 2 CA ALA A 1 -10.781 10.971 -3.023 1.00 1.00 C ATOM 3 C ALA A 1 -10.226 9.547 -3.103 1.00 1.00 C ATOM 4 O ALA A 1 -10.432 8.745 -2.194 1.00 1.00 O ATOM 5 CB ALA A 1 -9.828 12.003 -3.630 1.00 1.00 C ATOM 0 H1 ALA A 1 -11.929 11.842 -1.565 1.00 1.00 H new ATOM 0 H2 ALA A 1 -11.116 10.435 -1.073 1.00 1.00 H new ATOM 0 H3 ALA A 1 -10.258 11.888 -1.266 1.00 1.00 H new ATOM 0 HA ALA A 1 -11.704 10.999 -3.603 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -9.634 11.750 -4.673 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -10.281 12.993 -3.574 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -8.889 12.002 -3.076 1.00 1.00 H new ATOM 11 N ASP A 2 -9.534 9.277 -4.200 1.00 1.00 N ATOM 12 CA ASP A 2 -8.948 7.964 -4.411 1.00 1.00 C ATOM 13 C ASP A 2 -8.279 7.496 -3.118 1.00 1.00 C ATOM 14 O ASP A 2 -8.330 6.313 -2.781 1.00 1.00 O ATOM 15 CB ASP A 2 -7.882 8.006 -5.507 1.00 1.00 C ATOM 16 CG ASP A 2 -8.096 7.019 -6.656 1.00 1.00 C ATOM 17 OD1 ASP A 2 -8.374 5.831 -6.434 1.00 1.00 O ATOM 18 OD2 ASP A 2 -7.964 7.520 -7.837 1.00 1.00 O ATOM 0 H ASP A 2 -9.366 9.945 -4.952 1.00 1.00 H new ATOM 0 HA ASP A 2 -9.745 7.283 -4.710 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -7.844 9.015 -5.917 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -6.910 7.809 -5.055 1.00 1.00 H new ATOM 24 N ASP A 3 -7.667 8.446 -2.428 1.00 1.00 N ATOM 25 CA ASP A 3 -6.988 8.146 -1.178 1.00 1.00 C ATOM 26 C ASP A 3 -7.773 7.072 -0.422 1.00 1.00 C ATOM 27 O ASP A 3 -8.972 7.220 -0.194 1.00 1.00 O ATOM 28 CB ASP A 3 -6.902 9.385 -0.286 1.00 1.00 C ATOM 29 CG ASP A 3 -7.290 10.700 -0.966 1.00 1.00 C ATOM 30 OD1 ASP A 3 -7.052 10.892 -2.168 1.00 1.00 O ATOM 31 OD2 ASP A 3 -7.868 11.561 -0.198 1.00 1.00 O ATOM 0 H ASP A 3 -7.627 9.425 -2.710 1.00 1.00 H new ATOM 0 HA ASP A 3 -5.981 7.803 -1.415 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -7.548 9.237 0.579 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -5.882 9.474 0.089 1.00 1.00 H new ATOM 37 N ILE A 4 -7.064 6.015 -0.054 1.00 1.00 N ATOM 38 CA ILE A 4 -7.679 4.917 0.672 1.00 1.00 C ATOM 39 C ILE A 4 -7.008 4.776 2.039 1.00 1.00 C ATOM 40 O ILE A 4 -6.075 3.990 2.199 1.00 1.00 O ATOM 41 CB ILE A 4 -7.646 3.636 -0.165 1.00 1.00 C ATOM 42 CG1 ILE A 4 -8.870 3.545 -1.077 1.00 1.00 C ATOM 43 CG2 ILE A 4 -7.503 2.402 0.728 1.00 1.00 C ATOM 44 CD1 ILE A 4 -8.869 2.236 -1.868 1.00 1.00 C ATOM 0 H ILE A 4 -6.069 5.896 -0.245 1.00 1.00 H new ATOM 0 HA ILE A 4 -8.734 5.124 0.854 1.00 1.00 H new ATOM 0 HB ILE A 4 -6.767 3.671 -0.809 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -9.779 3.612 -0.479 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -8.878 4.390 -1.766 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -7.482 1.505 0.109 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -6.577 2.471 1.298 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -8.348 2.349 1.414 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -9.750 2.197 -2.508 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -7.971 2.183 -2.483 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -8.885 1.393 -1.177 1.00 1.00 H new ATOM 56 N VAL A 5 -7.509 5.549 2.992 1.00 1.00 N ATOM 57 CA VAL A 5 -6.969 5.520 4.340 1.00 1.00 C ATOM 58 C VAL A 5 -7.262 4.158 4.973 1.00 1.00 C ATOM 59 O VAL A 5 -8.414 3.731 5.030 1.00 1.00 O ATOM 60 CB VAL A 5 -7.529 6.689 5.153 1.00 1.00 C ATOM 61 CG1 VAL A 5 -6.871 6.762 6.533 1.00 1.00 C ATOM 62 CG2 VAL A 5 -7.365 8.009 4.398 1.00 1.00 C ATOM 0 H VAL A 5 -8.283 6.199 2.857 1.00 1.00 H new ATOM 0 HA VAL A 5 -5.886 5.644 4.320 1.00 1.00 H new ATOM 0 HB VAL A 5 -8.595 6.516 5.299 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -7.287 7.601 7.090 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -7.061 5.836 7.076 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -5.796 6.901 6.417 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -7.771 8.824 4.997 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -6.307 8.190 4.208 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -7.900 7.955 3.450 1.00 1.00 H new ATOM 72 N LEU A 6 -6.200 3.513 5.432 1.00 1.00 N ATOM 73 CA LEU A 6 -6.328 2.209 6.059 1.00 1.00 C ATOM 74 C LEU A 6 -6.469 2.386 7.572 1.00 1.00 C ATOM 75 O LEU A 6 -5.945 3.343 8.140 1.00 1.00 O ATOM 76 CB LEU A 6 -5.166 1.302 5.651 1.00 1.00 C ATOM 77 CG LEU A 6 -5.111 0.904 4.175 1.00 1.00 C ATOM 78 CD1 LEU A 6 -3.707 0.436 3.785 1.00 1.00 C ATOM 79 CD2 LEU A 6 -6.176 -0.145 3.849 1.00 1.00 C ATOM 0 H LEU A 6 -5.246 3.870 5.382 1.00 1.00 H new ATOM 0 HA LEU A 6 -7.231 1.707 5.712 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -4.233 1.804 5.906 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -5.213 0.393 6.250 1.00 1.00 H new ATOM 0 HG LEU A 6 -5.335 1.786 3.575 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -3.696 0.159 2.731 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -2.994 1.243 3.956 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -3.430 -0.427 4.390 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.115 -0.410 2.793 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -6.009 -1.034 4.457 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.164 0.261 4.064 1.00 1.00 H new ATOM 91 N LYS A 7 -7.179 1.448 8.182 1.00 1.00 N ATOM 92 CA LYS A 7 -7.395 1.488 9.618 1.00 1.00 C ATOM 93 C LYS A 7 -6.139 0.985 10.333 1.00 1.00 C ATOM 94 O LYS A 7 -5.792 -0.191 10.231 1.00 1.00 O ATOM 95 CB LYS A 7 -8.665 0.720 9.991 1.00 1.00 C ATOM 96 CG LYS A 7 -9.853 1.182 9.145 1.00 1.00 C ATOM 97 CD LYS A 7 -11.105 1.356 10.007 1.00 1.00 C ATOM 98 CE LYS A 7 -11.342 2.832 10.336 1.00 1.00 C ATOM 99 NZ LYS A 7 -12.310 2.965 11.448 1.00 1.00 N ATOM 0 H LYS A 7 -7.612 0.656 7.708 1.00 1.00 H new ATOM 0 HA LYS A 7 -7.562 2.513 9.949 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -8.504 -0.348 9.846 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -8.887 0.868 11.048 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -9.610 2.125 8.655 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -10.048 0.454 8.357 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -11.971 0.953 9.482 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -10.998 0.786 10.930 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -10.399 3.306 10.608 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -11.718 3.352 9.455 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -12.460 3.972 11.659 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -13.214 2.530 11.175 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -11.937 2.486 12.292 1.00 1.00 H new ATOM 112 N ALA A 8 -5.492 1.899 11.040 1.00 1.00 N ATOM 113 CA ALA A 8 -4.283 1.562 11.771 1.00 1.00 C ATOM 114 C ALA A 8 -4.122 2.522 12.953 1.00 1.00 C ATOM 115 O ALA A 8 -3.806 3.696 12.765 1.00 1.00 O ATOM 116 CB ALA A 8 -3.084 1.602 10.821 1.00 1.00 C ATOM 0 H ALA A 8 -5.782 2.873 11.122 1.00 1.00 H new ATOM 0 HA ALA A 8 -4.347 0.551 12.173 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -2.177 1.349 11.369 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -3.234 0.883 10.016 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -2.987 2.603 10.400 1.00 1.00 H new ATOM 122 N LYS A 9 -4.348 1.987 14.143 1.00 1.00 N ATOM 123 CA LYS A 9 -4.232 2.781 15.355 1.00 1.00 C ATOM 124 C LYS A 9 -2.768 3.169 15.567 1.00 1.00 C ATOM 125 O LYS A 9 -2.460 4.005 16.415 1.00 1.00 O ATOM 126 CB LYS A 9 -4.850 2.039 16.542 1.00 1.00 C ATOM 127 CG LYS A 9 -3.859 1.039 17.140 1.00 1.00 C ATOM 128 CD LYS A 9 -4.468 0.315 18.343 1.00 1.00 C ATOM 129 CE LYS A 9 -4.880 -1.111 17.974 1.00 1.00 C ATOM 130 NZ LYS A 9 -5.329 -1.848 19.176 1.00 1.00 N ATOM 0 H LYS A 9 -4.611 1.013 14.295 1.00 1.00 H new ATOM 0 HA LYS A 9 -4.797 3.708 15.259 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -5.154 2.756 17.305 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -5.750 1.516 16.220 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -3.569 0.311 16.382 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -2.951 1.560 17.446 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -3.747 0.289 19.160 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -5.337 0.867 18.702 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -5.681 -1.085 17.236 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -4.040 -1.631 17.514 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -5.605 -2.814 18.908 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -4.554 -1.889 19.868 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -6.144 -1.360 19.598 1.00 1.00 H new ATOM 143 N ASN A 10 -1.903 2.544 14.781 1.00 1.00 N ATOM 144 CA ASN A 10 -0.479 2.814 14.872 1.00 1.00 C ATOM 145 C ASN A 10 -0.123 3.975 13.941 1.00 1.00 C ATOM 146 O ASN A 10 1.044 4.345 13.822 1.00 1.00 O ATOM 147 CB ASN A 10 0.342 1.596 14.443 1.00 1.00 C ATOM 148 CG ASN A 10 0.128 0.425 15.404 1.00 1.00 C ATOM 149 OD1 ASN A 10 -0.863 -0.285 15.348 1.00 1.00 O ATOM 150 ND2 ASN A 10 1.110 0.263 16.286 1.00 1.00 N ATOM 0 H ASN A 10 -2.162 1.851 14.078 1.00 1.00 H new ATOM 0 HA ASN A 10 -0.249 3.057 15.909 1.00 1.00 H new ATOM 0 HB2 ASN A 10 0.058 1.299 13.433 1.00 1.00 H new ATOM 0 HB3 ASN A 10 1.400 1.858 14.413 1.00 1.00 H new ATOM 0 HD21 ASN A 10 1.061 -0.492 16.971 1.00 1.00 H new ATOM 0 HD22 ASN A 10 1.912 0.893 16.278 1.00 1.00 H new ATOM 157 N GLY A 11 -1.151 4.518 13.305 1.00 1.00 N ATOM 158 CA GLY A 11 -0.962 5.629 12.389 1.00 1.00 C ATOM 159 C GLY A 11 -1.465 5.276 10.988 1.00 1.00 C ATOM 160 O GLY A 11 -0.881 4.432 10.309 1.00 1.00 O ATOM 0 H GLY A 11 -2.118 4.209 13.406 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -1.494 6.505 12.760 1.00 1.00 H new ATOM 0 HA3 GLY A 11 0.095 5.892 12.344 1.00 1.00 H new ATOM 164 N ASP A 12 -2.542 5.940 10.595 1.00 1.00 N ATOM 165 CA ASP A 12 -3.130 5.707 9.287 1.00 1.00 C ATOM 166 C ASP A 12 -2.020 5.665 8.234 1.00 1.00 C ATOM 167 O ASP A 12 -0.953 6.245 8.428 1.00 1.00 O ATOM 168 CB ASP A 12 -4.097 6.830 8.910 1.00 1.00 C ATOM 169 CG ASP A 12 -5.576 6.520 9.154 1.00 1.00 C ATOM 170 OD1 ASP A 12 -5.954 5.364 9.397 1.00 1.00 O ATOM 171 OD2 ASP A 12 -6.365 7.538 9.086 1.00 1.00 O ATOM 0 H ASP A 12 -3.023 6.640 11.160 1.00 1.00 H new ATOM 0 HA ASP A 12 -3.672 4.762 9.324 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -3.831 7.723 9.475 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -3.960 7.068 7.855 1.00 1.00 H new ATOM 177 N VAL A 13 -2.310 4.972 7.143 1.00 1.00 N ATOM 178 CA VAL A 13 -1.350 4.847 6.059 1.00 1.00 C ATOM 179 C VAL A 13 -1.996 5.319 4.755 1.00 1.00 C ATOM 180 O VAL A 13 -2.515 4.511 3.987 1.00 1.00 O ATOM 181 CB VAL A 13 -0.832 3.409 5.983 1.00 1.00 C ATOM 182 CG1 VAL A 13 0.310 3.291 4.972 1.00 1.00 C ATOM 183 CG2 VAL A 13 -0.398 2.909 7.362 1.00 1.00 C ATOM 0 H VAL A 13 -3.196 4.491 6.986 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.483 5.482 6.241 1.00 1.00 H new ATOM 0 HB VAL A 13 -1.650 2.776 5.640 1.00 1.00 H new ATOM 0 HG11 VAL A 13 0.660 2.259 4.937 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.046 3.587 3.985 1.00 1.00 H new ATOM 0 HG13 VAL A 13 1.131 3.943 5.272 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -0.034 1.885 7.280 1.00 1.00 H new ATOM 0 HG22 VAL A 13 0.398 3.547 7.746 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -1.248 2.938 8.044 1.00 1.00 H new ATOM 193 N LYS A 14 -1.941 6.626 4.545 1.00 1.00 N ATOM 194 CA LYS A 14 -2.514 7.216 3.347 1.00 1.00 C ATOM 195 C LYS A 14 -1.847 6.604 2.113 1.00 1.00 C ATOM 196 O LYS A 14 -0.667 6.842 1.860 1.00 1.00 O ATOM 197 CB LYS A 14 -2.420 8.742 3.404 1.00 1.00 C ATOM 198 CG LYS A 14 -2.730 9.362 2.039 1.00 1.00 C ATOM 199 CD LYS A 14 -1.721 10.459 1.693 1.00 1.00 C ATOM 200 CE LYS A 14 -0.330 9.868 1.450 1.00 1.00 C ATOM 201 NZ LYS A 14 0.704 10.922 1.540 1.00 1.00 N ATOM 0 H LYS A 14 -1.509 7.293 5.184 1.00 1.00 H new ATOM 0 HA LYS A 14 -3.578 6.988 3.281 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -3.118 9.125 4.148 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -1.420 9.037 3.723 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -2.709 8.589 1.271 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -3.737 9.778 2.045 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -2.052 10.996 0.804 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -1.675 11.185 2.505 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -0.127 9.088 2.183 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -0.295 9.399 0.467 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 1.641 10.504 1.373 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 0.518 11.653 0.824 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 0.681 11.351 2.487 1.00 1.00 H new ATOM 214 N LEU A 15 -2.631 5.829 1.379 1.00 1.00 N ATOM 215 CA LEU A 15 -2.131 5.181 0.179 1.00 1.00 C ATOM 216 C LEU A 15 -2.696 5.893 -1.052 1.00 1.00 C ATOM 217 O LEU A 15 -3.864 5.754 -1.408 1.00 1.00 O ATOM 218 CB LEU A 15 -2.432 3.682 0.214 1.00 1.00 C ATOM 219 CG LEU A 15 -2.438 2.967 -1.139 1.00 1.00 C ATOM 220 CD1 LEU A 15 -1.061 2.381 -1.456 1.00 1.00 C ATOM 221 CD2 LEU A 15 -3.539 1.906 -1.193 1.00 1.00 C ATOM 0 H LEU A 15 -3.609 5.635 1.592 1.00 1.00 H new ATOM 0 HA LEU A 15 -1.045 5.263 0.126 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -1.695 3.198 0.855 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -3.405 3.538 0.683 1.00 1.00 H new ATOM 0 HG LEU A 15 -2.660 3.702 -1.913 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -1.093 1.879 -2.423 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -0.323 3.183 -1.488 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -0.784 1.664 -0.683 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -3.522 1.413 -2.165 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -3.372 1.168 -0.408 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -4.509 2.380 -1.044 1.00 1.00 H new ATOM 233 N PRO A 16 -1.827 6.670 -1.703 1.00 1.00 N ATOM 234 CA PRO A 16 -2.145 7.432 -2.891 1.00 1.00 C ATOM 235 C PRO A 16 -2.608 6.491 -3.993 1.00 1.00 C ATOM 236 O PRO A 16 -1.942 6.410 -5.024 1.00 1.00 O ATOM 237 CB PRO A 16 -0.838 8.124 -3.274 1.00 1.00 C ATOM 238 CG PRO A 16 0.012 8.102 -2.068 1.00 1.00 C ATOM 239 CD PRO A 16 -0.446 6.857 -1.312 1.00 1.00 C ATOM 0 HA PRO A 16 -2.947 8.152 -2.731 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -0.352 7.607 -4.101 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -1.021 9.147 -3.602 1.00 1.00 H new ATOM 0 HG2 PRO A 16 1.069 8.045 -2.327 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -0.122 9.003 -1.470 1.00 1.00 H new ATOM 0 HD2 PRO A 16 0.160 5.990 -1.575 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -0.356 6.994 -0.234 1.00 1.00 H new ATOM 247 N HIS A 17 -3.719 5.807 -3.763 1.00 1.00 N ATOM 248 CA HIS A 17 -4.246 4.880 -4.749 1.00 1.00 C ATOM 249 C HIS A 17 -4.068 5.466 -6.151 1.00 1.00 C ATOM 250 O HIS A 17 -3.480 4.830 -7.024 1.00 1.00 O ATOM 251 CB HIS A 17 -5.700 4.522 -4.437 1.00 1.00 C ATOM 252 CG HIS A 17 -6.232 3.358 -5.239 1.00 1.00 C ATOM 253 ND1 HIS A 17 -7.170 3.508 -6.245 1.00 1.00 N ATOM 254 CD2 HIS A 17 -5.948 2.026 -5.173 1.00 1.00 C ATOM 255 CE1 HIS A 17 -7.432 2.313 -6.755 1.00 1.00 C ATOM 256 NE2 HIS A 17 -6.674 1.396 -6.089 1.00 1.00 N ATOM 0 H HIS A 17 -4.269 5.877 -2.907 1.00 1.00 H new ATOM 0 HA HIS A 17 -3.686 3.945 -4.709 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -5.786 4.288 -3.376 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -6.326 5.395 -4.623 1.00 1.00 H new ATOM 0 HD1 HIS A 17 -7.589 4.389 -6.544 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -5.251 1.562 -4.491 1.00 1.00 H new ATOM 0 HE1 HIS A 17 -8.124 2.103 -7.557 1.00 1.00 H new ATOM 264 N LYS A 18 -4.587 6.673 -6.323 1.00 1.00 N ATOM 265 CA LYS A 18 -4.493 7.353 -7.604 1.00 1.00 C ATOM 266 C LYS A 18 -3.032 7.373 -8.060 1.00 1.00 C ATOM 267 O LYS A 18 -2.707 6.872 -9.135 1.00 1.00 O ATOM 268 CB LYS A 18 -5.130 8.741 -7.522 1.00 1.00 C ATOM 269 CG LYS A 18 -5.016 9.477 -8.858 1.00 1.00 C ATOM 270 CD LYS A 18 -5.045 10.993 -8.654 1.00 1.00 C ATOM 271 CE LYS A 18 -3.763 11.480 -7.974 1.00 1.00 C ATOM 272 NZ LYS A 18 -2.930 12.245 -8.927 1.00 1.00 N ATOM 0 H LYS A 18 -5.074 7.198 -5.596 1.00 1.00 H new ATOM 0 HA LYS A 18 -5.058 6.813 -8.364 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -6.179 8.647 -7.243 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -4.643 9.323 -6.740 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -4.090 9.191 -9.357 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -5.835 9.179 -9.512 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -5.162 11.491 -9.617 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -5.909 11.265 -8.047 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -4.014 12.106 -7.117 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -3.200 10.628 -7.593 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -2.064 12.568 -8.450 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -2.676 11.637 -9.731 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -3.464 13.069 -9.271 1.00 1.00 H new ATOM 285 N ALA A 19 -2.191 7.956 -7.219 1.00 1.00 N ATOM 286 CA ALA A 19 -0.773 8.048 -7.522 1.00 1.00 C ATOM 287 C ALA A 19 -0.237 6.655 -7.858 1.00 1.00 C ATOM 288 O ALA A 19 0.428 6.471 -8.877 1.00 1.00 O ATOM 289 CB ALA A 19 -0.038 8.686 -6.341 1.00 1.00 C ATOM 0 H ALA A 19 -2.464 8.370 -6.328 1.00 1.00 H new ATOM 0 HA ALA A 19 -0.607 8.684 -8.391 1.00 1.00 H new ATOM 0 HB1 ALA A 19 1.026 8.755 -6.569 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -0.436 9.685 -6.161 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -0.180 8.073 -5.451 1.00 1.00 H new ATOM 295 N HIS A 20 -0.545 5.710 -6.983 1.00 1.00 N ATOM 296 CA HIS A 20 -0.103 4.339 -7.174 1.00 1.00 C ATOM 297 C HIS A 20 -0.705 3.781 -8.465 1.00 1.00 C ATOM 298 O HIS A 20 -0.117 2.908 -9.102 1.00 1.00 O ATOM 299 CB HIS A 20 -0.433 3.485 -5.948 1.00 1.00 C ATOM 300 CG HIS A 20 0.597 3.567 -4.847 1.00 1.00 C ATOM 301 ND1 HIS A 20 0.620 4.592 -3.916 1.00 1.00 N ATOM 302 CD2 HIS A 20 1.638 2.742 -4.537 1.00 1.00 C ATOM 303 CE1 HIS A 20 1.633 4.383 -3.089 1.00 1.00 C ATOM 304 NE2 HIS A 20 2.263 3.236 -3.476 1.00 1.00 N ATOM 0 H HIS A 20 -1.096 5.866 -6.139 1.00 1.00 H new ATOM 0 HA HIS A 20 0.982 4.314 -7.279 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -1.400 3.796 -5.551 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -0.535 2.445 -6.259 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -0.032 5.375 -3.874 1.00 1.00 H new ATOM 0 HD2 HIS A 20 1.908 1.840 -5.066 1.00 1.00 H new ATOM 0 HE1 HIS A 20 1.912 5.010 -2.255 1.00 1.00 H new ATOM 312 N GLN A 21 -1.870 4.307 -8.812 1.00 1.00 N ATOM 313 CA GLN A 21 -2.559 3.872 -10.016 1.00 1.00 C ATOM 314 C GLN A 21 -1.850 4.416 -11.258 1.00 1.00 C ATOM 315 O GLN A 21 -2.197 4.055 -12.382 1.00 1.00 O ATOM 316 CB GLN A 21 -4.028 4.298 -9.991 1.00 1.00 C ATOM 317 CG GLN A 21 -4.855 3.365 -9.104 1.00 1.00 C ATOM 318 CD GLN A 21 -6.212 3.988 -8.769 1.00 1.00 C ATOM 319 OE1 GLN A 21 -6.312 4.980 -8.067 1.00 1.00 O ATOM 320 NE2 GLN A 21 -7.247 3.352 -9.309 1.00 1.00 N ATOM 0 H GLN A 21 -2.355 5.030 -8.281 1.00 1.00 H new ATOM 0 HA GLN A 21 -2.532 2.783 -10.054 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -4.107 5.321 -9.623 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -4.429 4.292 -11.004 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -5.004 2.412 -9.611 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -4.310 3.155 -8.184 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -7.093 2.526 -9.888 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -8.195 3.690 -9.145 1.00 1.00 H new ATOM 329 N LYS A 22 -0.871 5.274 -11.014 1.00 1.00 N ATOM 330 CA LYS A 22 -0.111 5.871 -12.099 1.00 1.00 C ATOM 331 C LYS A 22 1.302 5.284 -12.109 1.00 1.00 C ATOM 332 O LYS A 22 1.856 5.011 -13.173 1.00 1.00 O ATOM 333 CB LYS A 22 -0.142 7.397 -11.998 1.00 1.00 C ATOM 334 CG LYS A 22 0.395 8.042 -13.278 1.00 1.00 C ATOM 335 CD LYS A 22 -0.637 7.965 -14.405 1.00 1.00 C ATOM 336 CE LYS A 22 -0.483 9.143 -15.370 1.00 1.00 C ATOM 337 NZ LYS A 22 -1.741 9.919 -15.444 1.00 1.00 N ATOM 0 H LYS A 22 -0.586 5.570 -10.080 1.00 1.00 H new ATOM 0 HA LYS A 22 -0.564 5.629 -13.060 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -1.163 7.733 -11.818 1.00 1.00 H new ATOM 0 HB3 LYS A 22 0.455 7.721 -11.145 1.00 1.00 H new ATOM 0 HG2 LYS A 22 0.651 9.084 -13.085 1.00 1.00 H new ATOM 0 HG3 LYS A 22 1.312 7.540 -13.585 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -0.519 7.027 -14.948 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -1.642 7.964 -13.983 1.00 1.00 H new ATOM 0 HE2 LYS A 22 0.331 9.788 -15.039 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -0.216 8.777 -16.361 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -1.620 10.715 -16.103 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -2.509 9.304 -15.781 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -1.979 10.284 -14.500 1.00 1.00 H new ATOM 350 N ALA A 23 1.843 5.106 -10.913 1.00 1.00 N ATOM 351 CA ALA A 23 3.181 4.556 -10.772 1.00 1.00 C ATOM 352 C ALA A 23 3.148 3.059 -11.084 1.00 1.00 C ATOM 353 O ALA A 23 4.172 2.470 -11.427 1.00 1.00 O ATOM 354 CB ALA A 23 3.706 4.847 -9.364 1.00 1.00 C ATOM 0 H ALA A 23 1.380 5.333 -10.033 1.00 1.00 H new ATOM 0 HA ALA A 23 3.865 5.025 -11.479 1.00 1.00 H new ATOM 0 HB1 ALA A 23 4.709 4.435 -9.257 1.00 1.00 H new ATOM 0 HB2 ALA A 23 3.737 5.925 -9.203 1.00 1.00 H new ATOM 0 HB3 ALA A 23 3.046 4.389 -8.628 1.00 1.00 H new ATOM 360 N VAL A 24 1.960 2.486 -10.955 1.00 1.00 N ATOM 361 CA VAL A 24 1.780 1.069 -11.220 1.00 1.00 C ATOM 362 C VAL A 24 0.590 0.878 -12.163 1.00 1.00 C ATOM 363 O VAL A 24 -0.460 0.359 -11.792 1.00 1.00 O ATOM 364 CB VAL A 24 1.627 0.306 -9.903 1.00 1.00 C ATOM 365 CG1 VAL A 24 1.123 -1.117 -10.149 1.00 1.00 C ATOM 366 CG2 VAL A 24 2.942 0.294 -9.120 1.00 1.00 C ATOM 0 H VAL A 24 1.113 2.978 -10.670 1.00 1.00 H new ATOM 0 HA VAL A 24 2.659 0.659 -11.718 1.00 1.00 H new ATOM 0 HB VAL A 24 0.882 0.826 -9.300 1.00 1.00 H new ATOM 0 HG11 VAL A 24 1.023 -1.637 -9.196 1.00 1.00 H new ATOM 0 HG12 VAL A 24 0.153 -1.079 -10.645 1.00 1.00 H new ATOM 0 HG13 VAL A 24 1.833 -1.650 -10.781 1.00 1.00 H new ATOM 0 HG21 VAL A 24 2.806 -0.255 -8.188 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.716 -0.190 -9.716 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.242 1.318 -8.897 1.00 1.00 H new ATOM 376 N PRO A 25 0.783 1.315 -13.410 1.00 1.00 N ATOM 377 CA PRO A 25 -0.205 1.233 -14.464 1.00 1.00 C ATOM 378 C PRO A 25 -0.782 -0.175 -14.515 1.00 1.00 C ATOM 379 O PRO A 25 -1.883 -0.347 -15.037 1.00 1.00 O ATOM 380 CB PRO A 25 0.562 1.556 -15.745 1.00 1.00 C ATOM 381 CG PRO A 25 1.696 2.382 -15.306 1.00 1.00 C ATOM 382 CD PRO A 25 2.005 1.929 -13.880 1.00 1.00 C ATOM 0 HA PRO A 25 -1.042 1.915 -14.315 1.00 1.00 H new ATOM 0 HB2 PRO A 25 0.903 0.648 -16.241 1.00 1.00 H new ATOM 0 HB3 PRO A 25 -0.065 2.092 -16.457 1.00 1.00 H new ATOM 0 HG2 PRO A 25 2.559 2.242 -15.958 1.00 1.00 H new ATOM 0 HG3 PRO A 25 1.443 3.442 -15.335 1.00 1.00 H new ATOM 0 HD2 PRO A 25 2.835 1.222 -13.861 1.00 1.00 H new ATOM 0 HD3 PRO A 25 2.290 2.772 -13.251 1.00 1.00 H new ATOM 390 N ASP A 26 -0.045 -1.138 -13.984 1.00 1.00 N ATOM 391 CA ASP A 26 -0.504 -2.517 -13.982 1.00 1.00 C ATOM 392 C ASP A 26 -1.327 -2.774 -12.718 1.00 1.00 C ATOM 393 O ASP A 26 -0.775 -3.116 -11.673 1.00 1.00 O ATOM 394 CB ASP A 26 0.677 -3.491 -13.984 1.00 1.00 C ATOM 395 CG ASP A 26 2.031 -2.864 -14.321 1.00 1.00 C ATOM 396 OD1 ASP A 26 2.156 -2.093 -15.284 1.00 1.00 O ATOM 397 OD2 ASP A 26 2.998 -3.201 -13.536 1.00 1.00 O ATOM 0 H ASP A 26 0.867 -0.991 -13.552 1.00 1.00 H new ATOM 0 HA ASP A 26 -1.103 -2.675 -14.879 1.00 1.00 H new ATOM 0 HB2 ASP A 26 0.744 -3.959 -13.002 1.00 1.00 H new ATOM 0 HB3 ASP A 26 0.472 -4.285 -14.702 1.00 1.00 H new ATOM 403 N CYS A 27 -2.633 -2.600 -12.855 1.00 1.00 N ATOM 404 CA CYS A 27 -3.537 -2.809 -11.737 1.00 1.00 C ATOM 405 C CYS A 27 -3.724 -4.315 -11.545 1.00 1.00 C ATOM 406 O CYS A 27 -4.841 -4.823 -11.639 1.00 1.00 O ATOM 407 CB CYS A 27 -4.871 -2.090 -11.946 1.00 1.00 C ATOM 408 SG CYS A 27 -4.757 -0.513 -12.868 1.00 1.00 S ATOM 0 H CYS A 27 -3.087 -2.317 -13.723 1.00 1.00 H new ATOM 0 HA CYS A 27 -3.106 -2.380 -10.833 1.00 1.00 H new ATOM 0 HB2 CYS A 27 -5.548 -2.758 -12.479 1.00 1.00 H new ATOM 0 HB3 CYS A 27 -5.318 -1.893 -10.972 1.00 1.00 H new ATOM 413 N LYS A 28 -2.614 -4.988 -11.280 1.00 1.00 N ATOM 414 CA LYS A 28 -2.642 -6.426 -11.075 1.00 1.00 C ATOM 415 C LYS A 28 -1.681 -6.794 -9.943 1.00 1.00 C ATOM 416 O LYS A 28 -2.037 -7.556 -9.045 1.00 1.00 O ATOM 417 CB LYS A 28 -2.356 -7.161 -12.387 1.00 1.00 C ATOM 418 CG LYS A 28 -0.978 -6.787 -12.935 1.00 1.00 C ATOM 419 CD LYS A 28 -0.642 -7.609 -14.181 1.00 1.00 C ATOM 420 CE LYS A 28 -0.435 -6.704 -15.397 1.00 1.00 C ATOM 421 NZ LYS A 28 -1.077 -7.290 -16.595 1.00 1.00 N ATOM 0 H LYS A 28 -1.690 -4.564 -11.203 1.00 1.00 H new ATOM 0 HA LYS A 28 -3.637 -6.747 -10.767 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -2.406 -8.237 -12.223 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -3.123 -6.914 -13.121 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -0.956 -5.725 -13.179 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -0.220 -6.954 -12.169 1.00 1.00 H new ATOM 0 HD2 LYS A 28 0.259 -8.195 -14.002 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -1.447 -8.316 -14.382 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -0.854 -5.717 -15.199 1.00 1.00 H new ATOM 0 HE3 LYS A 28 0.631 -6.567 -15.579 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -0.927 -6.663 -17.411 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -0.659 -8.221 -16.792 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -2.097 -7.398 -16.424 1.00 1.00 H new ATOM 434 N LYS A 29 -0.482 -6.235 -10.022 1.00 1.00 N ATOM 435 CA LYS A 29 0.533 -6.495 -9.015 1.00 1.00 C ATOM 436 C LYS A 29 -0.028 -6.154 -7.633 1.00 1.00 C ATOM 437 O LYS A 29 0.496 -6.609 -6.617 1.00 1.00 O ATOM 438 CB LYS A 29 1.827 -5.753 -9.354 1.00 1.00 C ATOM 439 CG LYS A 29 2.790 -5.760 -8.166 1.00 1.00 C ATOM 440 CD LYS A 29 3.411 -7.145 -7.972 1.00 1.00 C ATOM 441 CE LYS A 29 4.924 -7.043 -7.762 1.00 1.00 C ATOM 442 NZ LYS A 29 5.448 -8.290 -7.161 1.00 1.00 N ATOM 0 H LYS A 29 -0.191 -5.603 -10.768 1.00 1.00 H new ATOM 0 HA LYS A 29 0.794 -7.553 -9.002 1.00 1.00 H new ATOM 0 HB2 LYS A 29 2.303 -6.221 -10.216 1.00 1.00 H new ATOM 0 HB3 LYS A 29 1.598 -4.725 -9.635 1.00 1.00 H new ATOM 0 HG2 LYS A 29 3.577 -5.024 -8.327 1.00 1.00 H new ATOM 0 HG3 LYS A 29 2.259 -5.466 -7.261 1.00 1.00 H new ATOM 0 HD2 LYS A 29 2.953 -7.636 -7.113 1.00 1.00 H new ATOM 0 HD3 LYS A 29 3.202 -7.766 -8.843 1.00 1.00 H new ATOM 0 HE2 LYS A 29 5.418 -6.856 -8.716 1.00 1.00 H new ATOM 0 HE3 LYS A 29 5.151 -6.196 -7.114 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 6.476 -8.205 -7.025 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 4.989 -8.452 -6.242 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 5.248 -9.091 -7.793 1.00 1.00 H new ATOM 455 N CYS A 30 -1.085 -5.355 -7.639 1.00 1.00 N ATOM 456 CA CYS A 30 -1.722 -4.947 -6.398 1.00 1.00 C ATOM 457 C CYS A 30 -3.065 -5.671 -6.287 1.00 1.00 C ATOM 458 O CYS A 30 -3.487 -6.040 -5.192 1.00 1.00 O ATOM 459 CB CYS A 30 -1.884 -3.428 -6.318 1.00 1.00 C ATOM 460 SG CYS A 30 -0.579 -2.715 -5.252 1.00 1.00 S ATOM 0 H CYS A 30 -1.516 -4.979 -8.483 1.00 1.00 H new ATOM 0 HA CYS A 30 -1.090 -5.224 -5.554 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -1.826 -2.995 -7.317 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -2.867 -3.179 -5.919 1.00 1.00 H new ATOM 465 N HIS A 31 -3.700 -5.852 -7.436 1.00 1.00 N ATOM 466 CA HIS A 31 -4.987 -6.525 -7.482 1.00 1.00 C ATOM 467 C HIS A 31 -4.821 -7.907 -8.117 1.00 1.00 C ATOM 468 O HIS A 31 -4.587 -8.018 -9.319 1.00 1.00 O ATOM 469 CB HIS A 31 -6.026 -5.663 -8.201 1.00 1.00 C ATOM 470 CG HIS A 31 -6.435 -4.428 -7.436 1.00 1.00 C ATOM 471 ND1 HIS A 31 -7.198 -4.479 -6.282 1.00 1.00 N ATOM 472 CD2 HIS A 31 -6.179 -3.108 -7.669 1.00 1.00 C ATOM 473 CE1 HIS A 31 -7.387 -3.241 -5.850 1.00 1.00 C ATOM 474 NE2 HIS A 31 -6.755 -2.393 -6.712 1.00 1.00 N ATOM 0 H HIS A 31 -3.347 -5.544 -8.342 1.00 1.00 H new ATOM 0 HA HIS A 31 -5.361 -6.672 -6.469 1.00 1.00 H new ATOM 0 HB2 HIS A 31 -5.626 -5.362 -9.169 1.00 1.00 H new ATOM 0 HB3 HIS A 31 -6.912 -6.267 -8.396 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -7.554 -5.326 -5.839 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -5.604 -2.712 -8.493 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -7.943 -2.954 -4.970 1.00 1.00 H new ATOM 482 N GLU A 32 -4.949 -8.927 -7.281 1.00 1.00 N ATOM 483 CA GLU A 32 -4.817 -10.297 -7.745 1.00 1.00 C ATOM 484 C GLU A 32 -6.059 -10.712 -8.537 1.00 1.00 C ATOM 485 O GLU A 32 -6.197 -10.365 -9.708 1.00 1.00 O ATOM 486 CB GLU A 32 -4.568 -11.251 -6.575 1.00 1.00 C ATOM 487 CG GLU A 32 -3.085 -11.283 -6.199 1.00 1.00 C ATOM 488 CD GLU A 32 -2.898 -11.713 -4.743 1.00 1.00 C ATOM 489 OE1 GLU A 32 -3.051 -12.901 -4.422 1.00 1.00 O ATOM 490 OE2 GLU A 32 -2.581 -10.762 -3.930 1.00 1.00 O ATOM 0 H GLU A 32 -5.143 -8.832 -6.284 1.00 1.00 H new ATOM 0 HA GLU A 32 -3.953 -10.354 -8.407 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -5.158 -10.938 -5.714 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -4.901 -12.254 -6.842 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -2.554 -11.972 -6.856 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -2.647 -10.297 -6.350 1.00 1.00 H new ATOM 498 N LYS A 33 -6.931 -11.449 -7.864 1.00 1.00 N ATOM 499 CA LYS A 33 -8.157 -11.915 -8.490 1.00 1.00 C ATOM 500 C LYS A 33 -8.717 -10.811 -9.389 1.00 1.00 C ATOM 501 O LYS A 33 -9.364 -11.093 -10.395 1.00 1.00 O ATOM 502 CB LYS A 33 -9.145 -12.407 -7.431 1.00 1.00 C ATOM 503 CG LYS A 33 -8.814 -13.835 -6.993 1.00 1.00 C ATOM 504 CD LYS A 33 -10.032 -14.750 -7.142 1.00 1.00 C ATOM 505 CE LYS A 33 -9.605 -16.180 -7.477 1.00 1.00 C ATOM 506 NZ LYS A 33 -10.415 -17.155 -6.713 1.00 1.00 N ATOM 0 H LYS A 33 -6.813 -11.735 -6.892 1.00 1.00 H new ATOM 0 HA LYS A 33 -7.956 -12.775 -9.129 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -9.118 -11.743 -6.567 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -10.159 -12.371 -7.830 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -7.989 -14.221 -7.592 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -8.481 -13.833 -5.955 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -10.610 -14.746 -6.218 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -10.685 -14.368 -7.927 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -9.721 -16.360 -8.546 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -8.549 -16.314 -7.244 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -10.112 -18.121 -6.952 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -10.283 -16.993 -5.694 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -11.420 -17.037 -6.955 1.00 1.00 H new ATOM 519 N GLY A 34 -8.447 -9.575 -8.992 1.00 1.00 N ATOM 520 CA GLY A 34 -8.916 -8.427 -9.749 1.00 1.00 C ATOM 521 C GLY A 34 -9.057 -7.198 -8.850 1.00 1.00 C ATOM 522 O GLY A 34 -8.879 -7.254 -7.635 1.00 1.00 O ATOM 0 H GLY A 34 -7.910 -9.344 -8.156 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -8.219 -8.212 -10.559 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -9.877 -8.658 -10.209 1.00 1.00 H new ATOM 526 N PRO A 35 -9.384 -6.069 -9.484 1.00 1.00 N ATOM 527 CA PRO A 35 -9.570 -4.791 -8.831 1.00 1.00 C ATOM 528 C PRO A 35 -10.653 -4.913 -7.769 1.00 1.00 C ATOM 529 O PRO A 35 -11.758 -5.347 -8.094 1.00 1.00 O ATOM 530 CB PRO A 35 -10.001 -3.841 -9.946 1.00 1.00 C ATOM 531 CG PRO A 35 -10.552 -4.786 -11.082 1.00 1.00 C ATOM 532 CD PRO A 35 -9.600 -5.967 -10.911 1.00 1.00 C ATOM 0 HA PRO A 35 -8.670 -4.436 -8.328 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -10.767 -3.147 -9.601 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -9.164 -3.241 -10.301 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -11.595 -5.063 -10.927 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -10.485 -4.334 -12.072 1.00 1.00 H new ATOM 0 HD2 PRO A 35 -10.032 -6.884 -11.311 1.00 1.00 H new ATOM 0 HD3 PRO A 35 -8.663 -5.799 -11.441 1.00 1.00 H new ATOM 540 N GLY A 36 -10.326 -4.538 -6.541 1.00 1.00 N ATOM 541 CA GLY A 36 -11.287 -4.616 -5.454 1.00 1.00 C ATOM 542 C GLY A 36 -10.626 -5.134 -4.174 1.00 1.00 C ATOM 543 O GLY A 36 -9.408 -5.299 -4.124 1.00 1.00 O ATOM 0 H GLY A 36 -9.409 -4.179 -6.275 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -11.717 -3.631 -5.273 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -12.108 -5.275 -5.736 1.00 1.00 H new ATOM 547 N LYS A 37 -11.459 -5.376 -3.172 1.00 1.00 N ATOM 548 CA LYS A 37 -10.971 -5.871 -1.897 1.00 1.00 C ATOM 549 C LYS A 37 -9.938 -6.972 -2.144 1.00 1.00 C ATOM 550 O LYS A 37 -10.048 -7.727 -3.109 1.00 1.00 O ATOM 551 CB LYS A 37 -12.138 -6.311 -1.011 1.00 1.00 C ATOM 552 CG LYS A 37 -12.590 -5.173 -0.094 1.00 1.00 C ATOM 553 CD LYS A 37 -13.247 -5.719 1.176 1.00 1.00 C ATOM 554 CE LYS A 37 -12.414 -5.379 2.413 1.00 1.00 C ATOM 555 NZ LYS A 37 -12.440 -6.501 3.379 1.00 1.00 N ATOM 0 H LYS A 37 -12.469 -5.238 -3.218 1.00 1.00 H new ATOM 0 HA LYS A 37 -10.466 -5.076 -1.348 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -12.972 -6.633 -1.635 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -11.839 -7.170 -0.410 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -11.733 -4.554 0.173 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -13.294 -4.531 -0.625 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -14.248 -5.300 1.281 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -13.360 -6.800 1.095 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -11.386 -5.168 2.120 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -12.803 -4.476 2.884 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -11.870 -6.254 4.213 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -13.421 -6.684 3.672 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -12.048 -7.354 2.931 1.00 1.00 H new ATOM 568 N ILE A 38 -8.957 -7.030 -1.255 1.00 1.00 N ATOM 569 CA ILE A 38 -7.904 -8.026 -1.365 1.00 1.00 C ATOM 570 C ILE A 38 -8.016 -9.009 -0.198 1.00 1.00 C ATOM 571 O ILE A 38 -8.242 -8.603 0.941 1.00 1.00 O ATOM 572 CB ILE A 38 -6.536 -7.350 -1.471 1.00 1.00 C ATOM 573 CG1 ILE A 38 -6.541 -6.269 -2.554 1.00 1.00 C ATOM 574 CG2 ILE A 38 -5.430 -8.383 -1.697 1.00 1.00 C ATOM 575 CD1 ILE A 38 -5.317 -5.360 -2.427 1.00 1.00 C ATOM 0 H ILE A 38 -8.869 -6.403 -0.455 1.00 1.00 H new ATOM 0 HA ILE A 38 -8.019 -8.604 -2.282 1.00 1.00 H new ATOM 0 HB ILE A 38 -6.325 -6.855 -0.523 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -6.551 -6.736 -3.539 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -7.450 -5.674 -2.474 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -4.468 -7.876 -1.769 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.410 -9.083 -0.862 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.623 -8.927 -2.622 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -5.345 -4.601 -3.209 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.323 -4.876 -1.450 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.410 -5.955 -2.532 1.00 1.00 H new ATOM 587 N GLU A 39 -7.851 -10.283 -0.522 1.00 1.00 N ATOM 588 CA GLU A 39 -7.931 -11.328 0.485 1.00 1.00 C ATOM 589 C GLU A 39 -6.527 -11.761 0.912 1.00 1.00 C ATOM 590 O GLU A 39 -5.765 -12.292 0.106 1.00 1.00 O ATOM 591 CB GLU A 39 -8.741 -12.521 -0.025 1.00 1.00 C ATOM 592 CG GLU A 39 -8.852 -13.606 1.047 1.00 1.00 C ATOM 593 CD GLU A 39 -9.317 -14.932 0.440 1.00 1.00 C ATOM 594 OE1 GLU A 39 -8.534 -15.610 -0.242 1.00 1.00 O ATOM 595 OE2 GLU A 39 -10.540 -15.251 0.697 1.00 1.00 O ATOM 0 H GLU A 39 -7.662 -10.616 -1.468 1.00 1.00 H new ATOM 0 HA GLU A 39 -8.448 -10.927 1.357 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -9.738 -12.190 -0.317 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -8.267 -12.932 -0.916 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -7.886 -13.743 1.532 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -9.554 -13.289 1.819 1.00 1.00 H new ATOM 603 N GLY A 40 -6.227 -11.517 2.180 1.00 1.00 N ATOM 604 CA GLY A 40 -4.928 -11.875 2.724 1.00 1.00 C ATOM 605 C GLY A 40 -4.231 -10.654 3.327 1.00 1.00 C ATOM 606 O GLY A 40 -3.670 -10.731 4.419 1.00 1.00 O ATOM 0 H GLY A 40 -6.861 -11.076 2.846 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -5.049 -12.643 3.488 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -4.306 -12.302 1.938 1.00 1.00 H new ATOM 610 N PHE A 41 -4.287 -9.555 2.588 1.00 1.00 N ATOM 611 CA PHE A 41 -3.668 -8.320 3.036 1.00 1.00 C ATOM 612 C PHE A 41 -4.312 -7.822 4.332 1.00 1.00 C ATOM 613 O PHE A 41 -5.404 -7.256 4.309 1.00 1.00 O ATOM 614 CB PHE A 41 -3.895 -7.281 1.936 1.00 1.00 C ATOM 615 CG PHE A 41 -3.156 -5.961 2.164 1.00 1.00 C ATOM 616 CD1 PHE A 41 -3.657 -5.043 3.033 1.00 1.00 C ATOM 617 CD2 PHE A 41 -1.998 -5.706 1.498 1.00 1.00 C ATOM 618 CE1 PHE A 41 -2.971 -3.818 3.245 1.00 1.00 C ATOM 619 CE2 PHE A 41 -1.312 -4.481 1.710 1.00 1.00 C ATOM 620 CZ PHE A 41 -1.812 -3.563 2.579 1.00 1.00 C ATOM 0 H PHE A 41 -4.752 -9.495 1.682 1.00 1.00 H new ATOM 0 HA PHE A 41 -2.608 -8.484 3.228 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -3.579 -7.702 0.982 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -4.963 -7.078 1.857 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -4.577 -5.246 3.562 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -1.600 -6.435 0.808 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -3.369 -3.089 3.935 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -0.393 -4.279 1.181 1.00 1.00 H new ATOM 0 HZ PHE A 41 -1.290 -2.632 2.741 1.00 1.00 H new ATOM 630 N GLY A 42 -3.608 -8.051 5.431 1.00 1.00 N ATOM 631 CA GLY A 42 -4.098 -7.634 6.734 1.00 1.00 C ATOM 632 C GLY A 42 -3.002 -6.919 7.527 1.00 1.00 C ATOM 633 O GLY A 42 -3.292 -6.051 8.350 1.00 1.00 O ATOM 0 H GLY A 42 -2.702 -8.520 5.446 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -4.954 -6.971 6.610 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -4.447 -8.504 7.291 1.00 1.00 H new ATOM 637 N LYS A 43 -1.766 -7.310 7.253 1.00 1.00 N ATOM 638 CA LYS A 43 -0.626 -6.717 7.931 1.00 1.00 C ATOM 639 C LYS A 43 0.664 -7.190 7.258 1.00 1.00 C ATOM 640 O LYS A 43 1.270 -6.452 6.483 1.00 1.00 O ATOM 641 CB LYS A 43 -0.681 -7.014 9.431 1.00 1.00 C ATOM 642 CG LYS A 43 0.130 -5.986 10.223 1.00 1.00 C ATOM 643 CD LYS A 43 0.561 -6.554 11.577 1.00 1.00 C ATOM 644 CE LYS A 43 1.428 -5.551 12.341 1.00 1.00 C ATOM 645 NZ LYS A 43 1.619 -5.991 13.741 1.00 1.00 N ATOM 0 H LYS A 43 -1.529 -8.030 6.571 1.00 1.00 H new ATOM 0 HA LYS A 43 -0.653 -5.631 7.843 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -1.717 -7.004 9.770 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -0.293 -8.014 9.622 1.00 1.00 H new ATOM 0 HG2 LYS A 43 1.010 -5.693 9.651 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -0.466 -5.086 10.375 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -0.320 -6.803 12.168 1.00 1.00 H new ATOM 0 HD3 LYS A 43 1.116 -7.480 11.427 1.00 1.00 H new ATOM 0 HE2 LYS A 43 2.396 -5.450 11.850 1.00 1.00 H new ATOM 0 HE3 LYS A 43 0.958 -4.568 12.324 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 2.316 -5.375 14.206 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 0.713 -5.934 14.249 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 1.962 -6.973 13.753 1.00 1.00 H new ATOM 658 N GLU A 44 1.046 -8.417 7.578 1.00 1.00 N ATOM 659 CA GLU A 44 2.253 -8.997 7.014 1.00 1.00 C ATOM 660 C GLU A 44 2.441 -8.530 5.570 1.00 1.00 C ATOM 661 O GLU A 44 3.530 -8.102 5.188 1.00 1.00 O ATOM 662 CB GLU A 44 2.218 -10.524 7.097 1.00 1.00 C ATOM 663 CG GLU A 44 2.818 -11.016 8.416 1.00 1.00 C ATOM 664 CD GLU A 44 2.658 -9.964 9.516 1.00 1.00 C ATOM 665 OE1 GLU A 44 1.558 -9.803 10.065 1.00 1.00 O ATOM 666 OE2 GLU A 44 3.729 -9.302 9.797 1.00 1.00 O ATOM 0 H GLU A 44 0.541 -9.026 8.221 1.00 1.00 H new ATOM 0 HA GLU A 44 3.106 -8.654 7.600 1.00 1.00 H new ATOM 0 HB2 GLU A 44 1.189 -10.873 7.009 1.00 1.00 H new ATOM 0 HB3 GLU A 44 2.772 -10.950 6.260 1.00 1.00 H new ATOM 0 HG2 GLU A 44 2.329 -11.942 8.719 1.00 1.00 H new ATOM 0 HG3 GLU A 44 3.875 -11.244 8.277 1.00 1.00 H new ATOM 674 N MET A 45 1.364 -8.627 4.805 1.00 1.00 N ATOM 675 CA MET A 45 1.396 -8.220 3.411 1.00 1.00 C ATOM 676 C MET A 45 1.974 -6.811 3.264 1.00 1.00 C ATOM 677 O MET A 45 2.977 -6.616 2.579 1.00 1.00 O ATOM 678 CB MET A 45 -0.021 -8.253 2.836 1.00 1.00 C ATOM 679 CG MET A 45 -0.403 -9.668 2.399 1.00 1.00 C ATOM 680 SD MET A 45 -0.935 -10.621 3.812 1.00 1.00 S ATOM 681 CE MET A 45 -0.247 -12.212 3.390 1.00 1.00 C ATOM 0 H MET A 45 0.463 -8.982 5.125 1.00 1.00 H new ATOM 0 HA MET A 45 2.035 -8.914 2.865 1.00 1.00 H new ATOM 0 HB2 MET A 45 -0.729 -7.896 3.584 1.00 1.00 H new ATOM 0 HB3 MET A 45 -0.088 -7.575 1.985 1.00 1.00 H new ATOM 0 HG2 MET A 45 -1.201 -9.626 1.657 1.00 1.00 H new ATOM 0 HG3 MET A 45 0.449 -10.153 1.923 1.00 1.00 H new ATOM 0 HE1 MET A 45 -0.488 -12.932 4.173 1.00 1.00 H new ATOM 0 HE2 MET A 45 -0.668 -12.551 2.443 1.00 1.00 H new ATOM 0 HE3 MET A 45 0.836 -12.127 3.296 1.00 1.00 H new ATOM 691 N ALA A 46 1.317 -5.865 3.919 1.00 1.00 N ATOM 692 CA ALA A 46 1.753 -4.480 3.871 1.00 1.00 C ATOM 693 C ALA A 46 3.211 -4.392 4.329 1.00 1.00 C ATOM 694 O ALA A 46 4.005 -3.655 3.747 1.00 1.00 O ATOM 695 CB ALA A 46 0.820 -3.621 4.726 1.00 1.00 C ATOM 0 H ALA A 46 0.486 -6.031 4.486 1.00 1.00 H new ATOM 0 HA ALA A 46 1.705 -4.098 2.851 1.00 1.00 H new ATOM 0 HB1 ALA A 46 1.147 -2.582 4.690 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -0.197 -3.695 4.341 1.00 1.00 H new ATOM 0 HB3 ALA A 46 0.844 -3.973 5.757 1.00 1.00 H new ATOM 701 N HIS A 47 3.517 -5.155 5.368 1.00 1.00 N ATOM 702 CA HIS A 47 4.865 -5.173 5.912 1.00 1.00 C ATOM 703 C HIS A 47 5.736 -6.127 5.092 1.00 1.00 C ATOM 704 O HIS A 47 6.857 -6.443 5.487 1.00 1.00 O ATOM 705 CB HIS A 47 4.845 -5.519 7.402 1.00 1.00 C ATOM 706 CG HIS A 47 4.022 -4.572 8.242 1.00 1.00 C ATOM 707 ND1 HIS A 47 3.162 -5.006 9.236 1.00 1.00 N ATOM 708 CD2 HIS A 47 3.938 -3.211 8.227 1.00 1.00 C ATOM 709 CE1 HIS A 47 2.591 -3.945 9.787 1.00 1.00 C ATOM 710 NE2 HIS A 47 3.073 -2.833 9.159 1.00 1.00 N ATOM 0 H HIS A 47 2.855 -5.765 5.848 1.00 1.00 H new ATOM 0 HA HIS A 47 5.306 -4.179 5.836 1.00 1.00 H new ATOM 0 HB2 HIS A 47 4.455 -6.529 7.525 1.00 1.00 H new ATOM 0 HB3 HIS A 47 5.869 -5.525 7.777 1.00 1.00 H new ATOM 0 HD1 HIS A 47 2.996 -5.977 9.499 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.484 -2.552 7.568 1.00 1.00 H new ATOM 0 HE1 HIS A 47 1.871 -3.958 10.592 1.00 1.00 H new ATOM 718 N GLY A 48 5.187 -6.558 3.967 1.00 1.00 N ATOM 719 CA GLY A 48 5.901 -7.470 3.088 1.00 1.00 C ATOM 720 C GLY A 48 5.346 -7.405 1.663 1.00 1.00 C ATOM 721 O GLY A 48 5.144 -6.319 1.121 1.00 1.00 O ATOM 0 H GLY A 48 4.257 -6.293 3.643 1.00 1.00 H new ATOM 0 HA2 GLY A 48 6.962 -7.218 3.081 1.00 1.00 H new ATOM 0 HA3 GLY A 48 5.817 -8.488 3.469 1.00 1.00 H new ATOM 725 N LYS A 49 5.117 -8.581 1.097 1.00 1.00 N ATOM 726 CA LYS A 49 4.590 -8.671 -0.254 1.00 1.00 C ATOM 727 C LYS A 49 3.190 -8.055 -0.293 1.00 1.00 C ATOM 728 O LYS A 49 2.193 -8.773 -0.329 1.00 1.00 O ATOM 729 CB LYS A 49 4.640 -10.116 -0.753 1.00 1.00 C ATOM 730 CG LYS A 49 5.710 -10.286 -1.833 1.00 1.00 C ATOM 731 CD LYS A 49 5.325 -11.393 -2.817 1.00 1.00 C ATOM 732 CE LYS A 49 6.477 -12.380 -3.010 1.00 1.00 C ATOM 733 NZ LYS A 49 6.590 -12.773 -4.433 1.00 1.00 N ATOM 0 H LYS A 49 5.287 -9.479 1.549 1.00 1.00 H new ATOM 0 HA LYS A 49 5.210 -8.098 -0.944 1.00 1.00 H new ATOM 0 HB2 LYS A 49 4.850 -10.785 0.081 1.00 1.00 H new ATOM 0 HB3 LYS A 49 3.667 -10.401 -1.152 1.00 1.00 H new ATOM 0 HG2 LYS A 49 5.842 -9.347 -2.370 1.00 1.00 H new ATOM 0 HG3 LYS A 49 6.667 -10.524 -1.368 1.00 1.00 H new ATOM 0 HD2 LYS A 49 4.446 -11.922 -2.449 1.00 1.00 H new ATOM 0 HD3 LYS A 49 5.054 -10.953 -3.777 1.00 1.00 H new ATOM 0 HE2 LYS A 49 7.411 -11.928 -2.676 1.00 1.00 H new ATOM 0 HE3 LYS A 49 6.313 -13.264 -2.394 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 7.377 -13.443 -4.547 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 5.704 -13.223 -4.740 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 6.768 -11.929 -5.013 1.00 1.00 H new ATOM 746 N GLY A 50 3.161 -6.730 -0.284 1.00 1.00 N ATOM 747 CA GLY A 50 1.900 -6.009 -0.318 1.00 1.00 C ATOM 748 C GLY A 50 2.129 -4.514 -0.548 1.00 1.00 C ATOM 749 O GLY A 50 1.512 -3.916 -1.429 1.00 1.00 O ATOM 0 H GLY A 50 3.991 -6.137 -0.254 1.00 1.00 H new ATOM 0 HA2 GLY A 50 1.269 -6.410 -1.111 1.00 1.00 H new ATOM 0 HA3 GLY A 50 1.366 -6.159 0.620 1.00 1.00 H new ATOM 753 N CYS A 51 3.018 -3.953 0.259 1.00 1.00 N ATOM 754 CA CYS A 51 3.336 -2.539 0.154 1.00 1.00 C ATOM 755 C CYS A 51 4.856 -2.381 0.236 1.00 1.00 C ATOM 756 O CYS A 51 5.471 -1.792 -0.652 1.00 1.00 O ATOM 757 CB CYS A 51 2.618 -1.717 1.227 1.00 1.00 C ATOM 758 SG CYS A 51 0.819 -2.024 1.353 1.00 1.00 S ATOM 0 H CYS A 51 3.528 -4.452 0.988 1.00 1.00 H new ATOM 0 HA CYS A 51 2.983 -2.154 -0.803 1.00 1.00 H new ATOM 0 HB2 CYS A 51 3.077 -1.927 2.193 1.00 1.00 H new ATOM 0 HB3 CYS A 51 2.778 -0.659 1.022 1.00 1.00 H new ATOM 763 N LYS A 52 5.417 -2.918 1.309 1.00 1.00 N ATOM 764 CA LYS A 52 6.853 -2.845 1.518 1.00 1.00 C ATOM 765 C LYS A 52 7.564 -3.666 0.441 1.00 1.00 C ATOM 766 O LYS A 52 8.460 -3.166 -0.237 1.00 1.00 O ATOM 767 CB LYS A 52 7.209 -3.263 2.946 1.00 1.00 C ATOM 768 CG LYS A 52 7.934 -2.136 3.684 1.00 1.00 C ATOM 769 CD LYS A 52 9.434 -2.162 3.388 1.00 1.00 C ATOM 770 CE LYS A 52 10.134 -3.255 4.200 1.00 1.00 C ATOM 771 NZ LYS A 52 11.602 -3.071 4.159 1.00 1.00 N ATOM 0 H LYS A 52 4.903 -3.406 2.043 1.00 1.00 H new ATOM 0 HA LYS A 52 7.201 -1.817 1.416 1.00 1.00 H new ATOM 0 HB2 LYS A 52 6.301 -3.531 3.487 1.00 1.00 H new ATOM 0 HB3 LYS A 52 7.840 -4.151 2.922 1.00 1.00 H new ATOM 0 HG2 LYS A 52 7.518 -1.174 3.385 1.00 1.00 H new ATOM 0 HG3 LYS A 52 7.770 -2.235 4.757 1.00 1.00 H new ATOM 0 HD2 LYS A 52 9.595 -2.335 2.324 1.00 1.00 H new ATOM 0 HD3 LYS A 52 9.872 -1.192 3.624 1.00 1.00 H new ATOM 0 HE2 LYS A 52 9.787 -3.228 5.233 1.00 1.00 H new ATOM 0 HE3 LYS A 52 9.873 -4.236 3.802 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 12.060 -3.981 3.949 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 11.845 -2.382 3.419 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 11.934 -2.721 5.080 1.00 1.00 H new ATOM 784 N GLY A 53 7.137 -4.915 0.317 1.00 1.00 N ATOM 785 CA GLY A 53 7.722 -5.811 -0.667 1.00 1.00 C ATOM 786 C GLY A 53 8.085 -5.057 -1.948 1.00 1.00 C ATOM 787 O GLY A 53 9.196 -5.192 -2.457 1.00 1.00 O ATOM 0 H GLY A 53 6.394 -5.327 0.881 1.00 1.00 H new ATOM 0 HA2 GLY A 53 8.614 -6.280 -0.252 1.00 1.00 H new ATOM 0 HA3 GLY A 53 7.019 -6.611 -0.899 1.00 1.00 H new ATOM 791 N CYS A 54 7.127 -4.281 -2.431 1.00 1.00 N ATOM 792 CA CYS A 54 7.332 -3.506 -3.643 1.00 1.00 C ATOM 793 C CYS A 54 8.254 -2.331 -3.312 1.00 1.00 C ATOM 794 O CYS A 54 9.170 -2.022 -4.073 1.00 1.00 O ATOM 795 CB CYS A 54 6.006 -3.037 -4.247 1.00 1.00 C ATOM 796 SG CYS A 54 6.291 -2.323 -5.907 1.00 1.00 S ATOM 0 H CYS A 54 6.206 -4.172 -2.005 1.00 1.00 H new ATOM 0 HA CYS A 54 7.800 -4.132 -4.402 1.00 1.00 H new ATOM 0 HB2 CYS A 54 5.312 -3.875 -4.317 1.00 1.00 H new ATOM 0 HB3 CYS A 54 5.544 -2.294 -3.597 1.00 1.00 H new ATOM 801 N HIS A 55 7.981 -1.708 -2.175 1.00 1.00 N ATOM 802 CA HIS A 55 8.775 -0.574 -1.734 1.00 1.00 C ATOM 803 C HIS A 55 10.240 -0.995 -1.596 1.00 1.00 C ATOM 804 O HIS A 55 11.136 -0.306 -2.081 1.00 1.00 O ATOM 805 CB HIS A 55 8.205 0.019 -0.444 1.00 1.00 C ATOM 806 CG HIS A 55 6.842 0.647 -0.606 1.00 1.00 C ATOM 807 ND1 HIS A 55 6.001 0.902 0.463 1.00 1.00 N ATOM 808 CD2 HIS A 55 6.183 1.070 -1.723 1.00 1.00 C ATOM 809 CE1 HIS A 55 4.889 1.452 -0.001 1.00 1.00 C ATOM 810 NE2 HIS A 55 5.003 1.555 -1.356 1.00 1.00 N ATOM 0 H HIS A 55 7.221 -1.967 -1.546 1.00 1.00 H new ATOM 0 HA HIS A 55 8.730 0.218 -2.481 1.00 1.00 H new ATOM 0 HB2 HIS A 55 8.144 -0.767 0.309 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.897 0.771 -0.065 1.00 1.00 H new ATOM 0 HD1 HIS A 55 6.203 0.701 1.442 1.00 1.00 H new ATOM 0 HD2 HIS A 55 6.558 1.019 -2.735 1.00 1.00 H new ATOM 0 HE1 HIS A 55 4.041 1.764 0.590 1.00 1.00 H new ATOM 818 N GLU A 56 10.437 -2.125 -0.933 1.00 1.00 N ATOM 819 CA GLU A 56 11.778 -2.647 -0.726 1.00 1.00 C ATOM 820 C GLU A 56 12.303 -3.286 -2.013 1.00 1.00 C ATOM 821 O GLU A 56 13.513 -3.399 -2.205 1.00 1.00 O ATOM 822 CB GLU A 56 11.804 -3.645 0.433 1.00 1.00 C ATOM 823 CG GLU A 56 10.586 -4.570 0.388 1.00 1.00 C ATOM 824 CD GLU A 56 10.977 -6.009 0.729 1.00 1.00 C ATOM 825 OE1 GLU A 56 10.414 -6.601 1.661 1.00 1.00 O ATOM 826 OE2 GLU A 56 11.902 -6.513 -0.016 1.00 1.00 O ATOM 0 H GLU A 56 9.691 -2.694 -0.532 1.00 1.00 H new ATOM 0 HA GLU A 56 12.434 -1.817 -0.462 1.00 1.00 H new ATOM 0 HB2 GLU A 56 12.717 -4.238 0.386 1.00 1.00 H new ATOM 0 HB3 GLU A 56 11.821 -3.107 1.381 1.00 1.00 H new ATOM 0 HG2 GLU A 56 9.832 -4.218 1.092 1.00 1.00 H new ATOM 0 HG3 GLU A 56 10.136 -4.537 -0.604 1.00 1.00 H new ATOM 834 N GLU A 57 11.368 -3.687 -2.862 1.00 1.00 N ATOM 835 CA GLU A 57 11.722 -4.312 -4.125 1.00 1.00 C ATOM 836 C GLU A 57 12.091 -3.247 -5.159 1.00 1.00 C ATOM 837 O GLU A 57 13.060 -3.405 -5.900 1.00 1.00 O ATOM 838 CB GLU A 57 10.585 -5.201 -4.634 1.00 1.00 C ATOM 839 CG GLU A 57 10.842 -5.647 -6.075 1.00 1.00 C ATOM 840 CD GLU A 57 12.181 -6.377 -6.193 1.00 1.00 C ATOM 841 OE1 GLU A 57 12.453 -7.303 -5.414 1.00 1.00 O ATOM 842 OE2 GLU A 57 12.953 -5.951 -7.135 1.00 1.00 O ATOM 0 H GLU A 57 10.366 -3.591 -2.700 1.00 1.00 H new ATOM 0 HA GLU A 57 12.592 -4.949 -3.962 1.00 1.00 H new ATOM 0 HB2 GLU A 57 10.486 -6.075 -3.991 1.00 1.00 H new ATOM 0 HB3 GLU A 57 9.642 -4.658 -4.580 1.00 1.00 H new ATOM 0 HG2 GLU A 57 10.036 -6.302 -6.406 1.00 1.00 H new ATOM 0 HG3 GLU A 57 10.838 -4.779 -6.734 1.00 1.00 H new ATOM 850 N MET A 58 11.298 -2.185 -5.177 1.00 1.00 N ATOM 851 CA MET A 58 11.530 -1.094 -6.108 1.00 1.00 C ATOM 852 C MET A 58 12.460 -0.042 -5.500 1.00 1.00 C ATOM 853 O MET A 58 13.371 0.445 -6.168 1.00 1.00 O ATOM 854 CB MET A 58 10.194 -0.444 -6.475 1.00 1.00 C ATOM 855 CG MET A 58 9.335 -1.391 -7.314 1.00 1.00 C ATOM 856 SD MET A 58 8.265 -0.453 -8.392 1.00 1.00 S ATOM 857 CE MET A 58 8.451 -1.386 -9.902 1.00 1.00 C ATOM 0 H MET A 58 10.495 -2.057 -4.562 1.00 1.00 H new ATOM 0 HA MET A 58 12.006 -1.498 -7.002 1.00 1.00 H new ATOM 0 HB2 MET A 58 9.658 -0.169 -5.567 1.00 1.00 H new ATOM 0 HB3 MET A 58 10.374 0.477 -7.030 1.00 1.00 H new ATOM 0 HG2 MET A 58 9.974 -2.048 -7.904 1.00 1.00 H new ATOM 0 HG3 MET A 58 8.739 -2.029 -6.661 1.00 1.00 H new ATOM 0 HE1 MET A 58 7.845 -0.933 -10.686 1.00 1.00 H new ATOM 0 HE2 MET A 58 9.498 -1.383 -10.205 1.00 1.00 H new ATOM 0 HE3 MET A 58 8.124 -2.413 -9.738 1.00 1.00 H new ATOM 867 N LYS A 59 12.198 0.276 -4.241 1.00 1.00 N ATOM 868 CA LYS A 59 13.001 1.261 -3.536 1.00 1.00 C ATOM 869 C LYS A 59 12.541 2.665 -3.931 1.00 1.00 C ATOM 870 O LYS A 59 13.363 3.555 -4.142 1.00 1.00 O ATOM 871 CB LYS A 59 14.491 1.011 -3.779 1.00 1.00 C ATOM 872 CG LYS A 59 15.238 0.823 -2.457 1.00 1.00 C ATOM 873 CD LYS A 59 14.892 1.939 -1.468 1.00 1.00 C ATOM 874 CE LYS A 59 16.133 2.391 -0.696 1.00 1.00 C ATOM 875 NZ LYS A 59 15.839 3.612 0.088 1.00 1.00 N ATOM 0 H LYS A 59 11.441 -0.131 -3.691 1.00 1.00 H new ATOM 0 HA LYS A 59 12.857 1.169 -2.459 1.00 1.00 H new ATOM 0 HB2 LYS A 59 14.618 0.125 -4.402 1.00 1.00 H new ATOM 0 HB3 LYS A 59 14.920 1.850 -4.327 1.00 1.00 H new ATOM 0 HG2 LYS A 59 14.981 -0.144 -2.024 1.00 1.00 H new ATOM 0 HG3 LYS A 59 16.312 0.815 -2.640 1.00 1.00 H new ATOM 0 HD2 LYS A 59 14.465 2.786 -2.005 1.00 1.00 H new ATOM 0 HD3 LYS A 59 14.132 1.588 -0.769 1.00 1.00 H new ATOM 0 HE2 LYS A 59 16.464 1.595 -0.030 1.00 1.00 H new ATOM 0 HE3 LYS A 59 16.950 2.586 -1.391 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 16.692 3.906 0.606 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 15.545 4.375 -0.555 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 15.074 3.415 0.764 1.00 1.00 H new ATOM 888 N LYS A 60 11.228 2.820 -4.020 1.00 1.00 N ATOM 889 CA LYS A 60 10.648 4.101 -4.386 1.00 1.00 C ATOM 890 C LYS A 60 9.694 4.558 -3.281 1.00 1.00 C ATOM 891 O LYS A 60 9.667 5.736 -2.928 1.00 1.00 O ATOM 892 CB LYS A 60 9.995 4.018 -5.767 1.00 1.00 C ATOM 893 CG LYS A 60 10.279 5.280 -6.584 1.00 1.00 C ATOM 894 CD LYS A 60 11.746 5.337 -7.014 1.00 1.00 C ATOM 895 CE LYS A 60 11.979 6.464 -8.023 1.00 1.00 C ATOM 896 NZ LYS A 60 13.390 6.478 -8.467 1.00 1.00 N ATOM 0 H LYS A 60 10.549 2.079 -3.845 1.00 1.00 H new ATOM 0 HA LYS A 60 11.425 4.861 -4.471 1.00 1.00 H new ATOM 0 HB2 LYS A 60 10.371 3.144 -6.299 1.00 1.00 H new ATOM 0 HB3 LYS A 60 8.919 3.886 -5.657 1.00 1.00 H new ATOM 0 HG2 LYS A 60 9.637 5.299 -7.465 1.00 1.00 H new ATOM 0 HG3 LYS A 60 10.035 6.163 -5.993 1.00 1.00 H new ATOM 0 HD2 LYS A 60 12.379 5.490 -6.140 1.00 1.00 H new ATOM 0 HD3 LYS A 60 12.037 4.384 -7.455 1.00 1.00 H new ATOM 0 HE2 LYS A 60 11.322 6.332 -8.883 1.00 1.00 H new ATOM 0 HE3 LYS A 60 11.724 7.423 -7.572 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 13.531 7.248 -9.151 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 14.011 6.626 -7.646 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 13.622 5.569 -8.917 1.00 1.00 H new ATOM 909 N GLY A 61 8.934 3.603 -2.766 1.00 1.00 N ATOM 910 CA GLY A 61 7.981 3.893 -1.709 1.00 1.00 C ATOM 911 C GLY A 61 8.667 3.911 -0.341 1.00 1.00 C ATOM 912 O GLY A 61 9.882 3.775 -0.220 1.00 1.00 O ATOM 0 H GLY A 61 8.959 2.627 -3.061 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.508 4.857 -1.895 1.00 1.00 H new ATOM 0 HA3 GLY A 61 7.189 3.144 -1.713 1.00 1.00 H new ATOM 916 N PRO A 62 7.849 4.086 0.699 1.00 1.00 N ATOM 917 CA PRO A 62 8.282 4.134 2.079 1.00 1.00 C ATOM 918 C PRO A 62 8.629 2.730 2.554 1.00 1.00 C ATOM 919 O PRO A 62 7.972 1.781 2.129 1.00 1.00 O ATOM 920 CB PRO A 62 7.085 4.691 2.846 1.00 1.00 C ATOM 921 CG PRO A 62 5.888 4.050 2.010 1.00 1.00 C ATOM 922 CD PRO A 62 6.415 4.251 0.591 1.00 1.00 C ATOM 0 HA PRO A 62 9.171 4.748 2.224 1.00 1.00 H new ATOM 0 HB2 PRO A 62 7.078 4.377 3.890 1.00 1.00 H new ATOM 0 HB3 PRO A 62 7.059 5.781 2.841 1.00 1.00 H new ATOM 0 HG2 PRO A 62 5.729 2.999 2.250 1.00 1.00 H new ATOM 0 HG3 PRO A 62 4.941 4.563 2.179 1.00 1.00 H new ATOM 0 HD2 PRO A 62 5.984 3.523 -0.097 1.00 1.00 H new ATOM 0 HD3 PRO A 62 6.159 5.240 0.211 1.00 1.00 H new ATOM 930 N THR A 63 9.636 2.625 3.408 1.00 1.00 N ATOM 931 CA THR A 63 10.049 1.330 3.922 1.00 1.00 C ATOM 932 C THR A 63 10.467 1.447 5.389 1.00 1.00 C ATOM 933 O THR A 63 11.415 0.792 5.822 1.00 1.00 O ATOM 934 CB THR A 63 11.158 0.793 3.014 1.00 1.00 C ATOM 935 OG1 THR A 63 11.866 1.960 2.604 1.00 1.00 O ATOM 936 CG2 THR A 63 10.615 0.209 1.709 1.00 1.00 C ATOM 0 H THR A 63 10.178 3.415 3.757 1.00 1.00 H new ATOM 0 HA THR A 63 9.224 0.617 3.908 1.00 1.00 H new ATOM 0 HB THR A 63 11.724 0.028 3.546 1.00 1.00 H new ATOM 0 HG1 THR A 63 12.605 1.704 2.013 1.00 1.00 H new ATOM 0 HG21 THR A 63 11.443 -0.158 1.102 1.00 1.00 H new ATOM 0 HG22 THR A 63 9.937 -0.615 1.933 1.00 1.00 H new ATOM 0 HG23 THR A 63 10.077 0.982 1.160 1.00 1.00 H new ATOM 944 N LYS A 64 9.741 2.285 6.113 1.00 1.00 N ATOM 945 CA LYS A 64 10.025 2.496 7.522 1.00 1.00 C ATOM 946 C LYS A 64 8.710 2.707 8.277 1.00 1.00 C ATOM 947 O LYS A 64 7.706 3.097 7.684 1.00 1.00 O ATOM 948 CB LYS A 64 11.027 3.638 7.702 1.00 1.00 C ATOM 949 CG LYS A 64 12.395 3.104 8.131 1.00 1.00 C ATOM 950 CD LYS A 64 12.383 2.685 9.603 1.00 1.00 C ATOM 951 CE LYS A 64 12.370 3.909 10.521 1.00 1.00 C ATOM 952 NZ LYS A 64 12.021 3.516 11.904 1.00 1.00 N ATOM 0 H LYS A 64 8.956 2.826 5.750 1.00 1.00 H new ATOM 0 HA LYS A 64 10.502 1.614 7.950 1.00 1.00 H new ATOM 0 HB2 LYS A 64 11.125 4.191 6.768 1.00 1.00 H new ATOM 0 HB3 LYS A 64 10.655 4.338 8.450 1.00 1.00 H new ATOM 0 HG2 LYS A 64 12.668 2.252 7.509 1.00 1.00 H new ATOM 0 HG3 LYS A 64 13.154 3.870 7.973 1.00 1.00 H new ATOM 0 HD2 LYS A 64 11.507 2.067 9.802 1.00 1.00 H new ATOM 0 HD3 LYS A 64 13.260 2.074 9.818 1.00 1.00 H new ATOM 0 HE2 LYS A 64 13.348 4.390 10.509 1.00 1.00 H new ATOM 0 HE3 LYS A 64 11.651 4.640 10.152 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 12.017 4.359 12.514 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 11.078 3.077 11.913 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 12.723 2.835 12.259 1.00 1.00 H new ATOM 965 N CYS A 65 8.760 2.441 9.574 1.00 1.00 N ATOM 966 CA CYS A 65 7.586 2.597 10.415 1.00 1.00 C ATOM 967 C CYS A 65 7.166 4.068 10.386 1.00 1.00 C ATOM 968 O CYS A 65 5.976 4.377 10.376 1.00 1.00 O ATOM 969 CB CYS A 65 7.843 2.105 11.841 1.00 1.00 C ATOM 970 SG CYS A 65 8.925 0.634 11.963 1.00 1.00 S ATOM 0 H CYS A 65 9.595 2.118 10.063 1.00 1.00 H new ATOM 0 HA CYS A 65 6.774 1.981 10.029 1.00 1.00 H new ATOM 0 HB2 CYS A 65 8.291 2.916 12.415 1.00 1.00 H new ATOM 0 HB3 CYS A 65 6.886 1.874 12.309 1.00 1.00 H new ATOM 975 N GLY A 66 8.167 4.936 10.373 1.00 1.00 N ATOM 976 CA GLY A 66 7.916 6.366 10.345 1.00 1.00 C ATOM 977 C GLY A 66 7.852 6.884 8.907 1.00 1.00 C ATOM 978 O GLY A 66 7.962 8.086 8.670 1.00 1.00 O ATOM 0 H GLY A 66 9.153 4.676 10.381 1.00 1.00 H new ATOM 0 HA2 GLY A 66 6.978 6.584 10.856 1.00 1.00 H new ATOM 0 HA3 GLY A 66 8.704 6.888 10.888 1.00 1.00 H new ATOM 982 N GLU A 67 7.673 5.950 7.984 1.00 1.00 N ATOM 983 CA GLU A 67 7.592 6.297 6.575 1.00 1.00 C ATOM 984 C GLU A 67 6.234 5.885 6.004 1.00 1.00 C ATOM 985 O GLU A 67 5.975 6.068 4.816 1.00 1.00 O ATOM 986 CB GLU A 67 8.735 5.655 5.786 1.00 1.00 C ATOM 987 CG GLU A 67 10.000 6.515 5.856 1.00 1.00 C ATOM 988 CD GLU A 67 11.134 5.889 5.042 1.00 1.00 C ATOM 989 OE1 GLU A 67 11.019 4.735 4.603 1.00 1.00 O ATOM 990 OE2 GLU A 67 12.163 6.647 4.868 1.00 1.00 O ATOM 0 H GLU A 67 7.582 4.954 8.184 1.00 1.00 H new ATOM 0 HA GLU A 67 7.691 7.378 6.481 1.00 1.00 H new ATOM 0 HB2 GLU A 67 8.944 4.662 6.184 1.00 1.00 H new ATOM 0 HB3 GLU A 67 8.436 5.525 4.746 1.00 1.00 H new ATOM 0 HG2 GLU A 67 9.786 7.515 5.479 1.00 1.00 H new ATOM 0 HG3 GLU A 67 10.311 6.626 6.895 1.00 1.00 H new ATOM 998 N CYS A 68 5.402 5.337 6.878 1.00 1.00 N ATOM 999 CA CYS A 68 4.076 4.898 6.476 1.00 1.00 C ATOM 1000 C CYS A 68 3.072 5.380 7.524 1.00 1.00 C ATOM 1001 O CYS A 68 2.173 6.161 7.215 1.00 1.00 O ATOM 1002 CB CYS A 68 4.017 3.381 6.283 1.00 1.00 C ATOM 1003 SG CYS A 68 3.983 2.977 4.499 1.00 1.00 S ATOM 0 H CYS A 68 5.620 5.187 7.863 1.00 1.00 H new ATOM 0 HA CYS A 68 3.824 5.331 5.508 1.00 1.00 H new ATOM 0 HB2 CYS A 68 4.881 2.913 6.754 1.00 1.00 H new ATOM 0 HB3 CYS A 68 3.130 2.978 6.772 1.00 1.00 H new ATOM 1008 N HIS A 69 3.259 4.896 8.743 1.00 1.00 N ATOM 1009 CA HIS A 69 2.380 5.267 9.839 1.00 1.00 C ATOM 1010 C HIS A 69 2.662 6.712 10.255 1.00 1.00 C ATOM 1011 O HIS A 69 3.708 7.003 10.833 1.00 1.00 O ATOM 1012 CB HIS A 69 2.512 4.280 11.000 1.00 1.00 C ATOM 1013 CG HIS A 69 2.134 2.861 10.645 1.00 1.00 C ATOM 1014 ND1 HIS A 69 0.822 2.454 10.477 1.00 1.00 N ATOM 1015 CD2 HIS A 69 2.910 1.760 10.428 1.00 1.00 C ATOM 1016 CE1 HIS A 69 0.820 1.164 10.174 1.00 1.00 C ATOM 1017 NE2 HIS A 69 2.115 0.736 10.144 1.00 1.00 N ATOM 0 H HIS A 69 4.007 4.250 8.996 1.00 1.00 H new ATOM 0 HA HIS A 69 1.342 5.215 9.511 1.00 1.00 H new ATOM 0 HB2 HIS A 69 3.541 4.292 11.359 1.00 1.00 H new ATOM 0 HB3 HIS A 69 1.883 4.618 11.824 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -0.003 3.046 10.571 1.00 1.00 H new ATOM 0 HD2 HIS A 69 3.988 1.727 10.479 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -0.053 0.558 9.984 1.00 1.00 H new ATOM 1025 N LYS A 70 1.710 7.580 9.945 1.00 1.00 N ATOM 1026 CA LYS A 70 1.842 8.988 10.279 1.00 1.00 C ATOM 1027 C LYS A 70 0.452 9.593 10.480 1.00 1.00 C ATOM 1028 O LYS A 70 -0.351 9.635 9.549 1.00 1.00 O ATOM 1029 CB LYS A 70 2.682 9.712 9.225 1.00 1.00 C ATOM 1030 CG LYS A 70 2.752 11.213 9.516 1.00 1.00 C ATOM 1031 CD LYS A 70 3.656 11.496 10.718 1.00 1.00 C ATOM 1032 CE LYS A 70 5.121 11.605 10.288 1.00 1.00 C ATOM 1033 NZ LYS A 70 5.620 12.983 10.493 1.00 1.00 N ATOM 0 H LYS A 70 0.844 7.335 9.466 1.00 1.00 H new ATOM 0 HA LYS A 70 2.380 9.108 11.219 1.00 1.00 H new ATOM 0 HB2 LYS A 70 3.689 9.294 9.207 1.00 1.00 H new ATOM 0 HB3 LYS A 70 2.252 9.549 8.237 1.00 1.00 H new ATOM 0 HG2 LYS A 70 3.130 11.740 8.640 1.00 1.00 H new ATOM 0 HG3 LYS A 70 1.751 11.597 9.711 1.00 1.00 H new ATOM 0 HD2 LYS A 70 3.345 12.422 11.201 1.00 1.00 H new ATOM 0 HD3 LYS A 70 3.548 10.700 11.455 1.00 1.00 H new ATOM 0 HE2 LYS A 70 5.727 10.903 10.861 1.00 1.00 H new ATOM 0 HE3 LYS A 70 5.220 11.329 9.238 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 6.615 13.040 10.196 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 5.052 13.646 9.928 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 5.544 13.234 11.500 1.00 1.00 H new ATOM 1046 N LYS A 71 0.210 10.047 11.701 1.00 1.00 N ATOM 1047 CA LYS A 71 -1.070 10.648 12.036 1.00 1.00 C ATOM 1048 C LYS A 71 -1.362 11.791 11.062 1.00 1.00 C ATOM 1049 O LYS A 71 -0.442 12.444 10.573 1.00 1.00 O ATOM 1050 CB LYS A 71 -1.095 11.071 13.506 1.00 1.00 C ATOM 1051 CG LYS A 71 -2.529 11.122 14.038 1.00 1.00 C ATOM 1052 CD LYS A 71 -2.848 12.498 14.624 1.00 1.00 C ATOM 1053 CE LYS A 71 -4.359 12.712 14.732 1.00 1.00 C ATOM 1054 NZ LYS A 71 -4.784 13.845 13.880 1.00 1.00 N ATOM 0 H LYS A 71 0.879 10.011 12.470 1.00 1.00 H new ATOM 0 HA LYS A 71 -1.874 9.920 11.924 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -0.508 10.370 14.100 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -0.628 12.050 13.614 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -3.228 10.895 13.233 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -2.664 10.357 14.803 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -2.393 12.592 15.610 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -2.411 13.275 13.996 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -4.883 11.805 14.430 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -4.631 12.907 15.769 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -5.812 13.977 13.965 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -4.297 14.712 14.187 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -4.541 13.644 12.889 1.00 1.00 H new TER 1067 LYS A 71 HETATM 1068 CHA HEM A 101 -9.074 -0.918 -3.950 1.00 1.00 C HETATM 1069 CHB HEM A 101 -9.245 -0.183 -8.762 1.00 1.00 C HETATM 1070 CHC HEM A 101 -4.384 0.086 -8.910 1.00 1.00 C HETATM 1071 CHD HEM A 101 -4.207 -1.027 -4.103 1.00 1.00 C HETATM 1072 C1A HEM A 101 -9.527 -0.789 -5.259 1.00 1.00 C HETATM 1073 C2A HEM A 101 -10.902 -0.965 -5.663 1.00 1.00 C HETATM 1074 C3A HEM A 101 -10.953 -0.762 -6.997 1.00 1.00 C HETATM 1075 C4A HEM A 101 -9.609 -0.458 -7.431 1.00 1.00 C HETATM 1076 CMA HEM A 101 -12.152 -0.828 -7.897 1.00 1.00 C HETATM 1077 CAA HEM A 101 -12.032 -1.309 -4.737 1.00 1.00 C HETATM 1078 CBA HEM A 101 -12.604 -0.111 -3.984 1.00 1.00 C HETATM 1079 CGA HEM A 101 -14.033 0.178 -4.420 1.00 1.00 C HETATM 1080 O1A HEM A 101 -14.856 0.454 -3.520 1.00 1.00 O HETATM 1081 O2A HEM A 101 -14.276 0.119 -5.644 1.00 1.00 O HETATM 1082 C1B HEM A 101 -7.937 0.002 -9.199 1.00 1.00 C HETATM 1083 C2B HEM A 101 -7.578 0.398 -10.540 1.00 1.00 C HETATM 1084 C3B HEM A 101 -6.231 0.474 -10.585 1.00 1.00 C HETATM 1085 C4B HEM A 101 -5.743 0.124 -9.271 1.00 1.00 C HETATM 1086 CMB HEM A 101 -8.556 0.666 -11.647 1.00 1.00 C HETATM 1087 CAB HEM A 101 -5.365 0.845 -11.753 1.00 1.00 C HETATM 1088 CBB HEM A 101 -5.905 2.007 -12.582 1.00 1.00 C HETATM 1089 C1C HEM A 101 -3.885 -0.262 -7.571 1.00 1.00 C HETATM 1090 C2C HEM A 101 -2.498 -0.454 -7.218 1.00 1.00 C HETATM 1091 C3C HEM A 101 -2.461 -0.757 -5.904 1.00 1.00 C HETATM 1092 C4C HEM A 101 -3.824 -0.755 -5.429 1.00 1.00 C HETATM 1093 CMC HEM A 101 -1.344 -0.330 -8.171 1.00 1.00 C HETATM 1094 CAC HEM A 101 -1.256 -1.048 -5.056 1.00 1.00 C HETATM 1095 CBC HEM A 101 -0.070 -0.128 -5.327 1.00 1.00 C HETATM 1096 C1D HEM A 101 -5.524 -1.069 -3.655 1.00 1.00 C HETATM 1097 C2D HEM A 101 -5.907 -1.303 -2.283 1.00 1.00 C HETATM 1098 C3D HEM A 101 -7.256 -1.273 -2.237 1.00 1.00 C HETATM 1099 C4D HEM A 101 -7.721 -1.021 -3.580 1.00 1.00 C HETATM 1100 CMD HEM A 101 -4.949 -1.531 -1.150 1.00 1.00 C HETATM 1101 CAD HEM A 101 -8.144 -1.460 -1.042 1.00 1.00 C HETATM 1102 CBD HEM A 101 -7.758 -2.645 -0.160 1.00 1.00 C HETATM 1103 CGD HEM A 101 -7.275 -2.177 1.205 1.00 1.00 C HETATM 1104 O1D HEM A 101 -8.049 -1.447 1.861 1.00 1.00 O HETATM 1105 O2D HEM A 101 -6.141 -2.558 1.567 1.00 1.00 O HETATM 1106 NA HEM A 101 -8.740 -0.478 -6.354 1.00 1.00 N HETATM 1107 NB HEM A 101 -6.800 -0.164 -8.427 1.00 1.00 N HETATM 1108 NC HEM A 101 -4.692 -0.449 -6.462 1.00 1.00 N HETATM 1109 ND HEM A 101 -6.647 -0.898 -4.445 1.00 1.00 N HETATM 1110 FE HEM A 101 -6.575 -0.543 -6.507 1.00 1.00 FE HETATM 0 HMA1 HEM A 101 -12.869 -1.545 -7.496 1.00 1.00 H new HETATM 0 HMA2 HEM A 101 -11.842 -1.143 -8.893 1.00 1.00 H new HETATM 0 HMA3 HEM A 101 -12.617 0.156 -7.956 1.00 1.00 H new HETATM 0 HMB1 HEM A 101 -9.444 0.050 -11.505 1.00 1.00 H new HETATM 0 HMB2 HEM A 101 -8.096 0.424 -12.605 1.00 1.00 H new HETATM 0 HMB3 HEM A 101 -8.839 1.719 -11.636 1.00 1.00 H new HETATM 0 HMC1 HEM A 101 -1.670 -0.604 -9.174 1.00 1.00 H new HETATM 0 HMC2 HEM A 101 -0.539 -0.995 -7.857 1.00 1.00 H new HETATM 0 HMC3 HEM A 101 -0.984 0.699 -8.174 1.00 1.00 H new HETATM 0 HMD1 HEM A 101 -5.388 -1.162 -0.223 1.00 1.00 H new HETATM 0 HMD2 HEM A 101 -4.018 -0.999 -1.348 1.00 1.00 H new HETATM 0 HMD3 HEM A 101 -4.744 -2.597 -1.056 1.00 1.00 H new HETATM 0 HBB1 HEM A 101 -5.353 2.357 -13.454 1.00 1.00 H new HETATM 0 HBB2 HEM A 101 -6.843 2.487 -12.302 1.00 1.00 H new HETATM 0 HBC1 HEM A 101 0.856 -0.253 -4.766 1.00 1.00 H new HETATM 0 HBC2 HEM A 101 -0.149 0.654 -6.082 1.00 1.00 H new HETATM 0 HBA1 HEM A 101 -11.982 0.766 -4.163 1.00 1.00 H new HETATM 0 HBA2 HEM A 101 -12.580 -0.306 -2.912 1.00 1.00 H new HETATM 0 HAA1 HEM A 101 -11.684 -2.047 -4.014 1.00 1.00 H new HETATM 0 HAA2 HEM A 101 -12.830 -1.778 -5.313 1.00 1.00 H new HETATM 0 HBD1 HEM A 101 -6.974 -3.225 -0.647 1.00 1.00 H new HETATM 0 HBD2 HEM A 101 -8.616 -3.307 -0.039 1.00 1.00 H new HETATM 0 HAD1 HEM A 101 -9.171 -1.593 -1.383 1.00 1.00 H new HETATM 0 HAD2 HEM A 101 -8.123 -0.551 -0.441 1.00 1.00 H new HETATM 0 HHA HEM A 101 -9.813 -0.941 -3.163 1.00 1.00 H new HETATM 0 HHB HEM A 101 -10.035 -0.111 -9.495 1.00 1.00 H new HETATM 0 HHC HEM A 101 -3.656 0.329 -9.670 1.00 1.00 H new HETATM 0 HHD HEM A 101 -3.425 -1.216 -3.383 1.00 1.00 H new HETATM 0 HAB HEM A 101 -4.433 0.330 -11.988 1.00 1.00 H new HETATM 0 HAC HEM A 101 -1.231 -1.845 -4.313 1.00 1.00 H new HETATM 1111 CHA HEM A 102 5.417 5.344 -2.752 1.00 1.00 C HETATM 1112 CHB HEM A 102 2.165 3.589 0.421 1.00 1.00 C HETATM 1113 CHC HEM A 102 1.875 -0.537 -2.152 1.00 1.00 C HETATM 1114 CHD HEM A 102 5.176 1.214 -5.324 1.00 1.00 C HETATM 1115 C1A HEM A 102 4.533 5.225 -1.685 1.00 1.00 C HETATM 1116 C2A HEM A 102 4.262 6.277 -0.735 1.00 1.00 C HETATM 1117 C3A HEM A 102 3.361 5.794 0.146 1.00 1.00 C HETATM 1118 C4A HEM A 102 3.065 4.437 -0.250 1.00 1.00 C HETATM 1119 CMA HEM A 102 2.754 6.496 1.327 1.00 1.00 C HETATM 1120 CAA HEM A 102 4.889 7.641 -0.761 1.00 1.00 C HETATM 1121 CBA HEM A 102 4.943 8.273 -2.149 1.00 1.00 C HETATM 1122 CGA HEM A 102 4.178 9.588 -2.182 1.00 1.00 C HETATM 1123 O1A HEM A 102 4.290 10.335 -1.186 1.00 1.00 O HETATM 1124 O2A HEM A 102 3.495 9.822 -3.203 1.00 1.00 O HETATM 1125 C1B HEM A 102 1.812 2.314 -0.011 1.00 1.00 C HETATM 1126 C2B HEM A 102 0.868 1.459 0.669 1.00 1.00 C HETATM 1127 C3B HEM A 102 0.786 0.315 -0.041 1.00 1.00 C HETATM 1128 C4B HEM A 102 1.677 0.450 -1.169 1.00 1.00 C HETATM 1129 CMB HEM A 102 0.139 1.818 1.931 1.00 1.00 C HETATM 1130 CAB HEM A 102 -0.057 -0.893 0.247 1.00 1.00 C HETATM 1131 CBB HEM A 102 -1.471 -0.565 0.719 1.00 1.00 C HETATM 1132 C1C HEM A 102 2.752 -0.421 -3.282 1.00 1.00 C HETATM 1133 C2C HEM A 102 3.055 -1.476 -4.220 1.00 1.00 C HETATM 1134 C3C HEM A 102 3.980 -0.994 -5.076 1.00 1.00 C HETATM 1135 C4C HEM A 102 4.260 0.365 -4.677 1.00 1.00 C HETATM 1136 CMC HEM A 102 2.431 -2.842 -4.206 1.00 1.00 C HETATM 1137 CAC HEM A 102 4.624 -1.699 -6.234 1.00 1.00 C HETATM 1138 CBC HEM A 102 3.855 -2.924 -6.720 1.00 1.00 C HETATM 1139 C1D HEM A 102 5.469 2.513 -4.920 1.00 1.00 C HETATM 1140 C2D HEM A 102 6.250 3.447 -5.697 1.00 1.00 C HETATM 1141 C3D HEM A 102 6.319 4.593 -4.986 1.00 1.00 C HETATM 1142 C4D HEM A 102 5.581 4.379 -3.764 1.00 1.00 C HETATM 1143 CMD HEM A 102 6.854 3.154 -7.039 1.00 1.00 C HETATM 1144 CAD HEM A 102 7.017 5.869 -5.357 1.00 1.00 C HETATM 1145 CBD HEM A 102 6.508 6.502 -6.649 1.00 1.00 C HETATM 1146 CGD HEM A 102 7.603 6.545 -7.705 1.00 1.00 C HETATM 1147 O1D HEM A 102 8.610 7.242 -7.451 1.00 1.00 O HETATM 1148 O2D HEM A 102 7.413 5.881 -8.747 1.00 1.00 O HETATM 1149 NA HEM A 102 3.792 4.097 -1.377 1.00 1.00 N HETATM 1150 NB HEM A 102 2.303 1.684 -1.141 1.00 1.00 N HETATM 1151 NC HEM A 102 3.498 0.708 -3.573 1.00 1.00 N HETATM 1152 ND HEM A 102 5.062 3.097 -3.734 1.00 1.00 N HETATM 1153 FE HEM A 102 3.784 2.379 -2.529 1.00 1.00 FE HETATM 0 HMA1 HEM A 102 3.462 7.225 1.721 1.00 1.00 H new HETATM 0 HMA2 HEM A 102 2.516 5.766 2.101 1.00 1.00 H new HETATM 0 HMA3 HEM A 102 1.842 7.007 1.018 1.00 1.00 H new HETATM 0 HMB1 HEM A 102 -0.828 1.315 1.948 1.00 1.00 H new HETATM 0 HMB2 HEM A 102 -0.012 2.897 1.970 1.00 1.00 H new HETATM 0 HMB3 HEM A 102 0.727 1.503 2.793 1.00 1.00 H new HETATM 0 HMC1 HEM A 102 2.391 -3.234 -5.222 1.00 1.00 H new HETATM 0 HMC2 HEM A 102 1.421 -2.776 -3.802 1.00 1.00 H new HETATM 0 HMC3 HEM A 102 3.028 -3.508 -3.583 1.00 1.00 H new HETATM 0 HMD1 HEM A 102 7.092 2.092 -7.107 1.00 1.00 H new HETATM 0 HMD2 HEM A 102 7.765 3.739 -7.163 1.00 1.00 H new HETATM 0 HMD3 HEM A 102 6.144 3.418 -7.823 1.00 1.00 H new HETATM 0 HBB1 HEM A 102 -2.167 -1.370 0.956 1.00 1.00 H new HETATM 0 HBB2 HEM A 102 -1.785 0.474 0.819 1.00 1.00 H new HETATM 0 HBC1 HEM A 102 4.235 -3.510 -7.557 1.00 1.00 H new HETATM 0 HBC2 HEM A 102 2.925 -3.213 -6.230 1.00 1.00 H new HETATM 0 HBA1 HEM A 102 4.522 7.585 -2.882 1.00 1.00 H new HETATM 0 HBA2 HEM A 102 5.981 8.445 -2.433 1.00 1.00 H new HETATM 0 HAA1 HEM A 102 5.902 7.572 -0.365 1.00 1.00 H new HETATM 0 HAA2 HEM A 102 4.331 8.299 -0.095 1.00 1.00 H new HETATM 0 HBD1 HEM A 102 6.153 7.513 -6.447 1.00 1.00 H new HETATM 0 HBD2 HEM A 102 5.657 5.934 -7.025 1.00 1.00 H new HETATM 0 HAD1 HEM A 102 8.084 5.671 -5.457 1.00 1.00 H new HETATM 0 HAD2 HEM A 102 6.900 6.585 -4.543 1.00 1.00 H new HETATM 0 HHA HEM A 102 6.019 6.239 -2.808 1.00 1.00 H new HETATM 0 HHB HEM A 102 1.717 3.952 1.334 1.00 1.00 H new HETATM 0 HHC HEM A 102 1.321 -1.458 -2.047 1.00 1.00 H new HETATM 0 HHD HEM A 102 5.687 0.831 -6.195 1.00 1.00 H new HETATM 0 HAB HEM A 102 0.308 -1.913 0.130 1.00 1.00 H new HETATM 0 HAC HEM A 102 5.558 -1.366 -6.687 1.00 1.00 H new HETATM 1154 CHA HEM A 103 -0.606 -2.121 10.292 1.00 1.00 C HETATM 1155 CHB HEM A 103 3.438 -1.694 12.973 1.00 1.00 C HETATM 1156 CHC HEM A 103 5.922 -0.213 9.053 1.00 1.00 C HETATM 1157 CHD HEM A 103 1.685 -0.127 6.484 1.00 1.00 C HETATM 1158 C1A HEM A 103 0.285 -2.113 11.360 1.00 1.00 C HETATM 1159 C2A HEM A 103 -0.074 -2.443 12.719 1.00 1.00 C HETATM 1160 C3A HEM A 103 1.045 -2.325 13.465 1.00 1.00 C HETATM 1161 C4A HEM A 103 2.108 -1.922 12.575 1.00 1.00 C HETATM 1162 CMA HEM A 103 1.202 -2.559 14.939 1.00 1.00 C HETATM 1163 CAA HEM A 103 -1.449 -2.837 13.172 1.00 1.00 C HETATM 1164 CBA HEM A 103 -2.384 -1.656 13.417 1.00 1.00 C HETATM 1165 CGA HEM A 103 -2.984 -1.712 14.814 1.00 1.00 C HETATM 1166 O1A HEM A 103 -2.268 -2.191 15.720 1.00 1.00 O HETATM 1167 O2A HEM A 103 -4.147 -1.274 14.951 1.00 1.00 O HETATM 1168 C1B HEM A 103 4.470 -1.338 12.110 1.00 1.00 C HETATM 1169 C2B HEM A 103 5.870 -1.371 12.461 1.00 1.00 C HETATM 1170 C3B HEM A 103 6.561 -0.961 11.377 1.00 1.00 C HETATM 1171 C4B HEM A 103 5.596 -0.670 10.343 1.00 1.00 C HETATM 1172 CMB HEM A 103 6.410 -1.791 13.797 1.00 1.00 C HETATM 1173 CAB HEM A 103 8.048 -0.820 11.228 1.00 1.00 C HETATM 1174 CBB HEM A 103 8.832 -2.073 11.607 1.00 1.00 C HETATM 1175 C1C HEM A 103 4.943 -0.070 7.932 1.00 1.00 C HETATM 1176 C2C HEM A 103 5.213 0.566 6.664 1.00 1.00 C HETATM 1177 C3C HEM A 103 4.045 0.616 5.989 1.00 1.00 C HETATM 1178 C4C HEM A 103 3.041 0.012 6.832 1.00 1.00 C HETATM 1179 CMC HEM A 103 6.558 1.063 6.221 1.00 1.00 C HETATM 1180 CAC HEM A 103 3.791 1.182 4.622 1.00 1.00 C HETATM 1181 CBC HEM A 103 4.718 0.632 3.541 1.00 1.00 C HETATM 1182 C1D HEM A 103 0.718 -0.711 7.296 1.00 1.00 C HETATM 1183 C2D HEM A 103 -0.626 -1.018 6.865 1.00 1.00 C HETATM 1184 C3D HEM A 103 -1.263 -1.570 7.919 1.00 1.00 C HETATM 1185 C4D HEM A 103 -0.321 -1.612 9.012 1.00 1.00 C HETATM 1186 CMD HEM A 103 -1.169 -0.753 5.491 1.00 1.00 C HETATM 1187 CAD HEM A 103 -2.680 -2.062 7.987 1.00 1.00 C HETATM 1188 CBD HEM A 103 -3.015 -3.134 6.955 1.00 1.00 C HETATM 1189 CGD HEM A 103 -4.235 -2.742 6.134 1.00 1.00 C HETATM 1190 O1D HEM A 103 -4.309 -1.551 5.761 1.00 1.00 O HETATM 1191 O2D HEM A 103 -5.071 -3.640 5.893 1.00 1.00 O HETATM 1192 NA HEM A 103 1.630 -1.795 11.282 1.00 1.00 N HETATM 1193 NB HEM A 103 4.312 -0.905 10.805 1.00 1.00 N HETATM 1194 NC HEM A 103 3.604 -0.407 8.025 1.00 1.00 N HETATM 1195 ND HEM A 103 0.895 -1.081 8.618 1.00 1.00 N HETATM 1196 FE HEM A 103 2.648 -0.956 9.649 1.00 1.00 FE HETATM 0 HMA1 HEM A 103 0.265 -2.328 15.446 1.00 1.00 H new HETATM 0 HMA2 HEM A 103 1.992 -1.916 15.327 1.00 1.00 H new HETATM 0 HMA3 HEM A 103 1.463 -3.602 15.116 1.00 1.00 H new HETATM 0 HMB1 HEM A 103 5.682 -1.556 14.574 1.00 1.00 H new HETATM 0 HMB2 HEM A 103 7.340 -1.258 13.997 1.00 1.00 H new HETATM 0 HMB3 HEM A 103 6.601 -2.864 13.791 1.00 1.00 H new HETATM 0 HMC1 HEM A 103 7.137 1.370 7.092 1.00 1.00 H new HETATM 0 HMC2 HEM A 103 6.429 1.914 5.553 1.00 1.00 H new HETATM 0 HMC3 HEM A 103 7.086 0.266 5.696 1.00 1.00 H new HETATM 0 HMD1 HEM A 103 -1.931 -1.495 5.251 1.00 1.00 H new HETATM 0 HMD2 HEM A 103 -0.361 -0.815 4.762 1.00 1.00 H new HETATM 0 HMD3 HEM A 103 -1.610 0.243 5.460 1.00 1.00 H new HETATM 0 HBB1 HEM A 103 9.920 -2.078 11.535 1.00 1.00 H new HETATM 0 HBB2 HEM A 103 8.304 -2.963 11.949 1.00 1.00 H new HETATM 0 HBC1 HEM A 103 4.619 0.976 2.512 1.00 1.00 H new HETATM 0 HBC2 HEM A 103 5.479 -0.105 3.799 1.00 1.00 H new HETATM 0 HBA1 HEM A 103 -3.182 -1.660 12.675 1.00 1.00 H new HETATM 0 HBA2 HEM A 103 -1.836 -0.722 13.291 1.00 1.00 H new HETATM 0 HAA1 HEM A 103 -1.365 -3.418 14.091 1.00 1.00 H new HETATM 0 HAA2 HEM A 103 -1.894 -3.490 12.422 1.00 1.00 H new HETATM 0 HBD1 HEM A 103 -3.201 -4.083 7.459 1.00 1.00 H new HETATM 0 HBD2 HEM A 103 -2.162 -3.286 6.294 1.00 1.00 H new HETATM 0 HAD1 HEM A 103 -3.354 -1.217 7.850 1.00 1.00 H new HETATM 0 HAD2 HEM A 103 -2.868 -2.461 8.984 1.00 1.00 H new HETATM 0 HHA HEM A 103 -1.584 -2.548 10.457 1.00 1.00 H new HETATM 0 HHB HEM A 103 3.675 -1.803 14.021 1.00 1.00 H new HETATM 0 HHC HEM A 103 6.951 0.053 8.859 1.00 1.00 H new HETATM 0 HHD HEM A 103 1.373 0.246 5.519 1.00 1.00 H new HETATM 0 HAB HEM A 103 8.525 0.096 10.880 1.00 1.00 H new HETATM 0 HAC HEM A 103 3.014 1.920 4.419 1.00 1.00 H new