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 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 102 HEM CMA :methyl 150:sc= -0.239 (180deg=-0.239) USER MOD Set 2.1: A 10 ASN : amide:sc= -4.59! C(o=-5!,f=-9.3!) USER MOD Set 2.2: A 103 HEM CMA :methyl 150:sc= -0.411 (180deg=-0.0597) USER MOD Single : A 1 ALA N :NH3+ 132:sc= 0.0779 (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 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -5.45! C(o=-5.4!,f=-12!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 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+ 148:sc= 0.0219 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HEM CMA :methyl -30:sc= -0.0713 (180deg=-0.15) USER MOD Single : A 101 HEM CMB :methyl -30:sc= -1.54 (180deg=-4.52!) USER MOD Single : A 101 HEM CMC :methyl -30:sc= -5.68! (180deg=-8.42!) USER MOD Single : A 101 HEM CMD :methyl 150:sc= -1.71 (180deg=-1.71) USER MOD Single : A 102 HEM CMB :methyl 150:sc= -7.02! (180deg=-7.02!) USER MOD Single : A 102 HEM CMC :methyl 150:sc= -11.1! (180deg=-11.1!) USER MOD Single : A 102 HEM CMD :methyl -30:sc= -5.69! (180deg=-11.2!) USER MOD Single : A 103 HEM CMB :methyl -30:sc= -0.179 (180deg=-1.28) USER MOD Single : A 103 HEM CMC :methyl -30:sc= -4.12! (180deg=-6.01!) USER MOD Single : A 103 HEM CMD :methyl 150:sc= -1.05 (180deg=-1.05) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.759 10.735 -3.469 1.00 1.00 N ATOM 2 CA ALA A 1 -11.308 10.761 -3.398 1.00 1.00 C ATOM 3 C ALA A 1 -10.770 9.334 -3.519 1.00 1.00 C ATOM 4 O ALA A 1 -11.433 8.381 -3.112 1.00 1.00 O ATOM 5 CB ALA A 1 -10.873 11.441 -2.098 1.00 1.00 C ATOM 0 H1 ALA A 1 -13.155 11.307 -2.696 1.00 1.00 H new ATOM 0 H2 ALA A 1 -13.069 11.125 -4.382 1.00 1.00 H new ATOM 0 H3 ALA A 1 -13.093 9.754 -3.380 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.893 11.340 -4.223 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -9.785 11.461 -2.044 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -11.256 12.461 -2.075 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -11.268 10.886 -1.247 1.00 1.00 H new ATOM 11 N ASP A 2 -9.574 9.232 -4.079 1.00 1.00 N ATOM 12 CA ASP A 2 -8.939 7.938 -4.259 1.00 1.00 C ATOM 13 C ASP A 2 -8.269 7.517 -2.949 1.00 1.00 C ATOM 14 O ASP A 2 -8.246 6.334 -2.612 1.00 1.00 O ATOM 15 CB ASP A 2 -7.861 7.998 -5.343 1.00 1.00 C ATOM 16 CG ASP A 2 -7.956 6.905 -6.410 1.00 1.00 C ATOM 17 OD1 ASP A 2 -6.995 6.156 -6.643 1.00 1.00 O ATOM 18 OD2 ASP A 2 -9.089 6.838 -7.023 1.00 1.00 O ATOM 0 H ASP A 2 -9.027 10.025 -4.414 1.00 1.00 H new ATOM 0 HA ASP A 2 -9.708 7.224 -4.555 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -7.914 8.970 -5.834 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -6.883 7.935 -4.866 1.00 1.00 H new ATOM 24 N ASP A 3 -7.741 8.508 -2.246 1.00 1.00 N ATOM 25 CA ASP A 3 -7.073 8.256 -0.981 1.00 1.00 C ATOM 26 C ASP A 3 -7.839 7.179 -0.210 1.00 1.00 C ATOM 27 O ASP A 3 -8.977 7.397 0.203 1.00 1.00 O ATOM 28 CB ASP A 3 -7.034 9.518 -0.117 1.00 1.00 C ATOM 29 CG ASP A 3 -6.366 9.347 1.249 1.00 1.00 C ATOM 30 OD1 ASP A 3 -5.996 8.231 1.643 1.00 1.00 O ATOM 31 OD2 ASP A 3 -6.230 10.434 1.929 1.00 1.00 O ATOM 0 H ASP A 3 -7.762 9.488 -2.529 1.00 1.00 H new ATOM 0 HA ASP A 3 -6.054 7.935 -1.197 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -6.509 10.300 -0.666 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -8.055 9.867 0.036 1.00 1.00 H new ATOM 37 N ILE A 4 -7.185 6.040 -0.040 1.00 1.00 N ATOM 38 CA ILE A 4 -7.790 4.928 0.673 1.00 1.00 C ATOM 39 C ILE A 4 -7.125 4.785 2.044 1.00 1.00 C ATOM 40 O ILE A 4 -6.197 3.994 2.208 1.00 1.00 O ATOM 41 CB ILE A 4 -7.735 3.655 -0.173 1.00 1.00 C ATOM 42 CG1 ILE A 4 -8.941 3.567 -1.111 1.00 1.00 C ATOM 43 CG2 ILE A 4 -7.606 2.413 0.712 1.00 1.00 C ATOM 44 CD1 ILE A 4 -8.899 2.283 -1.941 1.00 1.00 C ATOM 0 H ILE A 4 -6.241 5.863 -0.384 1.00 1.00 H new ATOM 0 HA ILE A 4 -8.848 5.119 0.850 1.00 1.00 H new ATOM 0 HB ILE A 4 -6.843 3.699 -0.798 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -9.862 3.598 -0.529 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -8.954 4.432 -1.774 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -7.569 1.522 0.085 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -6.692 2.480 1.302 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -8.465 2.351 1.380 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -9.768 2.246 -2.599 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -7.989 2.267 -2.541 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -8.911 1.419 -1.276 1.00 1.00 H new ATOM 56 N VAL A 5 -7.625 5.562 2.993 1.00 1.00 N ATOM 57 CA VAL A 5 -7.091 5.531 4.344 1.00 1.00 C ATOM 58 C VAL A 5 -7.361 4.159 4.964 1.00 1.00 C ATOM 59 O VAL A 5 -8.502 3.700 4.991 1.00 1.00 O ATOM 60 CB VAL A 5 -7.676 6.683 5.164 1.00 1.00 C ATOM 61 CG1 VAL A 5 -7.036 6.748 6.552 1.00 1.00 C ATOM 62 CG2 VAL A 5 -7.523 8.015 4.427 1.00 1.00 C ATOM 0 H VAL A 5 -8.394 6.217 2.853 1.00 1.00 H new ATOM 0 HA VAL A 5 -6.011 5.674 4.331 1.00 1.00 H new ATOM 0 HB VAL A 5 -8.741 6.493 5.294 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -7.469 7.575 7.114 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -7.220 5.813 7.082 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -5.962 6.902 6.450 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -7.947 8.816 5.032 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -6.466 8.214 4.251 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -8.047 7.965 3.472 1.00 1.00 H new ATOM 72 N LEU A 6 -6.292 3.542 5.446 1.00 1.00 N ATOM 73 CA LEU A 6 -6.399 2.231 6.064 1.00 1.00 C ATOM 74 C LEU A 6 -6.517 2.395 7.580 1.00 1.00 C ATOM 75 O LEU A 6 -5.998 3.356 8.146 1.00 1.00 O ATOM 76 CB LEU A 6 -5.236 1.338 5.630 1.00 1.00 C ATOM 77 CG LEU A 6 -5.196 0.961 4.147 1.00 1.00 C ATOM 78 CD1 LEU A 6 -3.813 0.441 3.750 1.00 1.00 C ATOM 79 CD2 LEU A 6 -6.304 -0.037 3.805 1.00 1.00 C ATOM 0 H LEU A 6 -5.347 3.926 5.421 1.00 1.00 H new ATOM 0 HA LEU A 6 -7.303 1.723 5.727 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -4.303 1.843 5.881 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -5.270 0.420 6.217 1.00 1.00 H new ATOM 0 HG LEU A 6 -5.381 1.861 3.561 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -3.812 0.180 2.692 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -3.067 1.214 3.934 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -3.573 -0.443 4.341 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.253 -0.288 2.746 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -6.175 -0.942 4.399 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.275 0.407 4.026 1.00 1.00 H new ATOM 91 N LYS A 7 -7.201 1.442 8.195 1.00 1.00 N ATOM 92 CA LYS A 7 -7.393 1.468 9.635 1.00 1.00 C ATOM 93 C LYS A 7 -6.090 1.061 10.326 1.00 1.00 C ATOM 94 O LYS A 7 -5.578 -0.034 10.097 1.00 1.00 O ATOM 95 CB LYS A 7 -8.595 0.608 10.032 1.00 1.00 C ATOM 96 CG LYS A 7 -9.853 1.042 9.277 1.00 1.00 C ATOM 97 CD LYS A 7 -11.035 1.209 10.234 1.00 1.00 C ATOM 98 CE LYS A 7 -10.953 2.542 10.980 1.00 1.00 C ATOM 99 NZ LYS A 7 -11.119 2.332 12.436 1.00 1.00 N ATOM 0 H LYS A 7 -7.629 0.646 7.722 1.00 1.00 H new ATOM 0 HA LYS A 7 -7.630 2.478 9.969 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -8.383 -0.440 9.820 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -8.765 0.688 11.106 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -9.664 1.982 8.758 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -10.098 0.302 8.516 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -11.970 1.158 9.675 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -11.046 0.388 10.950 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -9.992 3.018 10.782 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -11.725 3.219 10.614 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -11.061 3.247 12.928 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -12.046 1.898 12.621 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -10.367 1.703 12.784 1.00 1.00 H new ATOM 112 N ALA A 8 -5.592 1.964 11.158 1.00 1.00 N ATOM 113 CA ALA A 8 -4.359 1.712 11.885 1.00 1.00 C ATOM 114 C ALA A 8 -4.229 2.723 13.026 1.00 1.00 C ATOM 115 O ALA A 8 -3.970 3.902 12.789 1.00 1.00 O ATOM 116 CB ALA A 8 -3.175 1.770 10.917 1.00 1.00 C ATOM 0 H ALA A 8 -6.020 2.871 11.345 1.00 1.00 H new ATOM 0 HA ALA A 8 -4.371 0.716 12.327 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -2.250 1.581 11.462 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -3.301 1.014 10.142 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -3.130 2.757 10.456 1.00 1.00 H new ATOM 122 N LYS A 9 -4.414 2.225 14.239 1.00 1.00 N ATOM 123 CA LYS A 9 -4.321 3.070 15.417 1.00 1.00 C ATOM 124 C LYS A 9 -2.868 3.509 15.611 1.00 1.00 C ATOM 125 O LYS A 9 -2.583 4.379 16.432 1.00 1.00 O ATOM 126 CB LYS A 9 -4.916 2.359 16.635 1.00 1.00 C ATOM 127 CG LYS A 9 -3.982 1.256 17.137 1.00 1.00 C ATOM 128 CD LYS A 9 -4.249 0.940 18.610 1.00 1.00 C ATOM 129 CE LYS A 9 -2.991 0.397 19.291 1.00 1.00 C ATOM 130 NZ LYS A 9 -3.349 -0.601 20.323 1.00 1.00 N ATOM 0 H LYS A 9 -4.628 1.247 14.432 1.00 1.00 H new ATOM 0 HA LYS A 9 -4.913 3.975 15.284 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -5.093 3.081 17.432 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -5.883 1.930 16.374 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -4.121 0.356 16.537 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -2.945 1.567 17.010 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -4.585 1.841 19.124 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -5.054 0.209 18.689 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -2.336 -0.059 18.548 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -2.435 1.216 19.747 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -2.483 -0.959 20.775 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -3.956 -0.156 21.041 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -3.860 -1.391 19.880 1.00 1.00 H new ATOM 143 N ASN A 10 -1.988 2.886 14.841 1.00 1.00 N ATOM 144 CA ASN A 10 -0.571 3.202 14.917 1.00 1.00 C ATOM 145 C ASN A 10 -0.261 4.365 13.972 1.00 1.00 C ATOM 146 O ASN A 10 0.888 4.789 13.862 1.00 1.00 O ATOM 147 CB ASN A 10 0.283 2.006 14.492 1.00 1.00 C ATOM 148 CG ASN A 10 0.094 0.829 15.451 1.00 1.00 C ATOM 149 OD1 ASN A 10 -0.898 0.118 15.414 1.00 1.00 O ATOM 150 ND2 ASN A 10 1.097 0.662 16.308 1.00 1.00 N ATOM 0 H ASN A 10 -2.228 2.164 14.162 1.00 1.00 H new ATOM 0 HA ASN A 10 -0.338 3.463 15.949 1.00 1.00 H new ATOM 0 HB2 ASN A 10 0.013 1.703 13.481 1.00 1.00 H new ATOM 0 HB3 ASN A 10 1.334 2.295 14.468 1.00 1.00 H new ATOM 0 HD21 ASN A 10 1.065 -0.097 16.988 1.00 1.00 H new ATOM 0 HD22 ASN A 10 1.898 1.293 16.285 1.00 1.00 H new ATOM 157 N GLY A 11 -1.305 4.846 13.315 1.00 1.00 N ATOM 158 CA GLY A 11 -1.158 5.951 12.383 1.00 1.00 C ATOM 159 C GLY A 11 -1.653 5.562 10.988 1.00 1.00 C ATOM 160 O GLY A 11 -1.037 4.738 10.315 1.00 1.00 O ATOM 0 H GLY A 11 -2.257 4.491 13.409 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -1.719 6.813 12.744 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -0.111 6.251 12.331 1.00 1.00 H new ATOM 164 N ASP A 12 -2.761 6.174 10.597 1.00 1.00 N ATOM 165 CA ASP A 12 -3.346 5.902 9.295 1.00 1.00 C ATOM 166 C ASP A 12 -2.234 5.838 8.245 1.00 1.00 C ATOM 167 O ASP A 12 -1.201 6.489 8.388 1.00 1.00 O ATOM 168 CB ASP A 12 -4.319 7.010 8.885 1.00 1.00 C ATOM 169 CG ASP A 12 -5.799 6.666 9.059 1.00 1.00 C ATOM 170 OD1 ASP A 12 -6.171 5.491 9.195 1.00 1.00 O ATOM 171 OD2 ASP A 12 -6.599 7.679 9.051 1.00 1.00 O ATOM 0 H ASP A 12 -3.269 6.857 11.159 1.00 1.00 H new ATOM 0 HA ASP A 12 -3.883 4.956 9.358 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -4.097 7.903 9.470 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -4.140 7.262 7.840 1.00 1.00 H new ATOM 177 N VAL A 13 -2.485 5.046 7.212 1.00 1.00 N ATOM 178 CA VAL A 13 -1.519 4.888 6.139 1.00 1.00 C ATOM 179 C VAL A 13 -2.148 5.342 4.821 1.00 1.00 C ATOM 180 O VAL A 13 -2.650 4.523 4.053 1.00 1.00 O ATOM 181 CB VAL A 13 -1.017 3.443 6.095 1.00 1.00 C ATOM 182 CG1 VAL A 13 0.061 3.269 5.023 1.00 1.00 C ATOM 183 CG2 VAL A 13 -0.504 2.999 7.466 1.00 1.00 C ATOM 0 H VAL A 13 -3.343 4.507 7.096 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.646 5.516 6.316 1.00 1.00 H new ATOM 0 HB VAL A 13 -1.859 2.804 5.829 1.00 1.00 H new ATOM 0 HG11 VAL A 13 0.400 2.233 5.013 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.352 3.525 4.047 1.00 1.00 H new ATOM 0 HG13 VAL A 13 0.903 3.925 5.244 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -0.153 1.969 7.407 1.00 1.00 H new ATOM 0 HG22 VAL A 13 0.318 3.645 7.774 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -1.311 3.066 8.196 1.00 1.00 H new ATOM 193 N LYS A 14 -2.101 6.648 4.598 1.00 1.00 N ATOM 194 CA LYS A 14 -2.661 7.221 3.386 1.00 1.00 C ATOM 195 C LYS A 14 -1.972 6.601 2.169 1.00 1.00 C ATOM 196 O LYS A 14 -0.782 6.817 1.948 1.00 1.00 O ATOM 197 CB LYS A 14 -2.578 8.748 3.428 1.00 1.00 C ATOM 198 CG LYS A 14 -2.865 9.351 2.051 1.00 1.00 C ATOM 199 CD LYS A 14 -1.853 10.446 1.711 1.00 1.00 C ATOM 200 CE LYS A 14 -0.777 9.921 0.758 1.00 1.00 C ATOM 201 NZ LYS A 14 0.558 9.996 1.392 1.00 1.00 N ATOM 0 H LYS A 14 -1.684 7.325 5.236 1.00 1.00 H new ATOM 0 HA LYS A 14 -3.722 6.984 3.307 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -3.293 9.135 4.154 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -1.587 9.053 3.763 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -2.829 8.569 1.293 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -3.873 9.765 2.034 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -2.367 11.292 1.255 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -1.387 10.812 2.626 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -0.998 8.890 0.483 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -0.782 10.504 -0.163 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 1.277 9.636 0.732 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 0.773 10.985 1.632 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 0.564 9.420 2.258 1.00 1.00 H new ATOM 214 N LEU A 15 -2.751 5.843 1.411 1.00 1.00 N ATOM 215 CA LEU A 15 -2.231 5.190 0.221 1.00 1.00 C ATOM 216 C LEU A 15 -2.771 5.899 -1.022 1.00 1.00 C ATOM 217 O LEU A 15 -3.930 5.755 -1.404 1.00 1.00 O ATOM 218 CB LEU A 15 -2.536 3.691 0.256 1.00 1.00 C ATOM 219 CG LEU A 15 -2.526 2.973 -1.095 1.00 1.00 C ATOM 220 CD1 LEU A 15 -1.133 2.427 -1.415 1.00 1.00 C ATOM 221 CD2 LEU A 15 -3.596 1.881 -1.144 1.00 1.00 C ATOM 0 H LEU A 15 -3.738 5.666 1.598 1.00 1.00 H new ATOM 0 HA LEU A 15 -1.144 5.270 0.187 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -1.808 3.207 0.908 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -3.516 3.550 0.713 1.00 1.00 H new ATOM 0 HG LEU A 15 -2.773 3.699 -1.870 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -1.153 1.921 -2.380 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -0.419 3.250 -1.451 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -0.833 1.720 -0.641 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -3.567 1.387 -2.115 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -3.406 1.150 -0.359 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -4.579 2.328 -0.993 1.00 1.00 H new ATOM 233 N PRO A 16 -1.890 6.680 -1.653 1.00 1.00 N ATOM 234 CA PRO A 16 -2.185 7.441 -2.848 1.00 1.00 C ATOM 235 C PRO A 16 -2.635 6.499 -3.955 1.00 1.00 C ATOM 236 O PRO A 16 -1.933 6.386 -4.960 1.00 1.00 O ATOM 237 CB PRO A 16 -0.869 8.125 -3.211 1.00 1.00 C ATOM 238 CG PRO A 16 -0.045 8.112 -1.986 1.00 1.00 C ATOM 239 CD PRO A 16 -0.520 6.872 -1.232 1.00 1.00 C ATOM 0 HA PRO A 16 -2.986 8.166 -2.703 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -0.368 7.598 -4.023 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -1.042 9.146 -3.553 1.00 1.00 H new ATOM 0 HG2 PRO A 16 1.018 8.053 -2.221 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -0.192 9.017 -1.397 1.00 1.00 H new ATOM 0 HD2 PRO A 16 0.093 6.004 -1.475 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -0.455 7.017 -0.154 1.00 1.00 H new ATOM 247 N HIS A 17 -3.773 5.852 -3.758 1.00 1.00 N ATOM 248 CA HIS A 17 -4.291 4.927 -4.753 1.00 1.00 C ATOM 249 C HIS A 17 -4.105 5.521 -6.151 1.00 1.00 C ATOM 250 O HIS A 17 -3.540 4.877 -7.033 1.00 1.00 O ATOM 251 CB HIS A 17 -5.746 4.563 -4.452 1.00 1.00 C ATOM 252 CG HIS A 17 -6.257 3.377 -5.233 1.00 1.00 C ATOM 253 ND1 HIS A 17 -7.231 3.485 -6.210 1.00 1.00 N ATOM 254 CD2 HIS A 17 -5.918 2.057 -5.173 1.00 1.00 C ATOM 255 CE1 HIS A 17 -7.461 2.279 -6.707 1.00 1.00 C ATOM 256 NE2 HIS A 17 -6.647 1.395 -6.063 1.00 1.00 N ATOM 0 H HIS A 17 -4.352 5.949 -2.924 1.00 1.00 H new ATOM 0 HA HIS A 17 -3.729 3.994 -4.715 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -5.844 4.353 -3.387 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -6.377 5.425 -4.666 1.00 1.00 H new ATOM 0 HD1 HIS A 17 -7.693 4.347 -6.499 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -5.181 1.624 -4.513 1.00 1.00 H new ATOM 0 HE1 HIS A 17 -8.169 2.038 -7.486 1.00 1.00 H new ATOM 264 N LYS A 18 -4.592 6.743 -6.309 1.00 1.00 N ATOM 265 CA LYS A 18 -4.487 7.431 -7.584 1.00 1.00 C ATOM 266 C LYS A 18 -3.020 7.471 -8.018 1.00 1.00 C ATOM 267 O LYS A 18 -2.674 6.990 -9.096 1.00 1.00 O ATOM 268 CB LYS A 18 -5.142 8.811 -7.504 1.00 1.00 C ATOM 269 CG LYS A 18 -5.020 9.554 -8.837 1.00 1.00 C ATOM 270 CD LYS A 18 -5.076 11.069 -8.627 1.00 1.00 C ATOM 271 CE LYS A 18 -3.770 11.731 -9.068 1.00 1.00 C ATOM 272 NZ LYS A 18 -3.391 12.808 -8.125 1.00 1.00 N ATOM 0 H LYS A 18 -5.060 7.274 -5.575 1.00 1.00 H new ATOM 0 HA LYS A 18 -5.034 6.888 -8.355 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -6.194 8.704 -7.238 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -4.672 9.396 -6.713 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -4.082 9.285 -9.323 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -5.825 9.246 -9.504 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -5.909 11.488 -9.192 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -5.262 11.288 -7.575 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -2.976 10.986 -9.117 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -3.884 12.141 -10.071 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -2.502 13.247 -8.439 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -4.142 13.527 -8.099 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -3.262 12.407 -7.174 1.00 1.00 H new ATOM 285 N ALA A 19 -2.197 8.050 -7.156 1.00 1.00 N ATOM 286 CA ALA A 19 -0.775 8.159 -7.436 1.00 1.00 C ATOM 287 C ALA A 19 -0.219 6.774 -7.775 1.00 1.00 C ATOM 288 O ALA A 19 0.491 6.613 -8.767 1.00 1.00 O ATOM 289 CB ALA A 19 -0.066 8.795 -6.239 1.00 1.00 C ATOM 0 H ALA A 19 -2.488 8.449 -6.263 1.00 1.00 H new ATOM 0 HA ALA A 19 -0.602 8.804 -8.297 1.00 1.00 H new ATOM 0 HB1 ALA A 19 1.000 8.877 -6.449 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -0.477 9.788 -6.058 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -0.215 8.174 -5.356 1.00 1.00 H new ATOM 295 N HIS A 20 -0.562 5.811 -6.933 1.00 1.00 N ATOM 296 CA HIS A 20 -0.106 4.446 -7.131 1.00 1.00 C ATOM 297 C HIS A 20 -0.687 3.895 -8.434 1.00 1.00 C ATOM 298 O HIS A 20 -0.091 3.021 -9.063 1.00 1.00 O ATOM 299 CB HIS A 20 -0.445 3.579 -5.917 1.00 1.00 C ATOM 300 CG HIS A 20 0.569 3.661 -4.801 1.00 1.00 C ATOM 301 ND1 HIS A 20 0.579 4.686 -3.871 1.00 1.00 N ATOM 302 CD2 HIS A 20 1.605 2.835 -4.475 1.00 1.00 C ATOM 303 CE1 HIS A 20 1.581 4.477 -3.029 1.00 1.00 C ATOM 304 NE2 HIS A 20 2.216 3.329 -3.406 1.00 1.00 N ATOM 0 H HIS A 20 -1.151 5.949 -6.112 1.00 1.00 H new ATOM 0 HA HIS A 20 0.980 4.431 -7.223 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -1.420 3.878 -5.531 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -0.534 2.541 -6.238 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -0.074 5.469 -3.839 1.00 1.00 H new ATOM 0 HD2 HIS A 20 1.881 1.932 -4.999 1.00 1.00 H new ATOM 0 HE1 HIS A 20 1.848 5.105 -2.192 1.00 1.00 H new ATOM 312 N GLN A 21 -1.842 4.428 -8.802 1.00 1.00 N ATOM 313 CA GLN A 21 -2.510 4.001 -10.019 1.00 1.00 C ATOM 314 C GLN A 21 -1.760 4.521 -11.247 1.00 1.00 C ATOM 315 O GLN A 21 -1.925 3.997 -12.348 1.00 1.00 O ATOM 316 CB GLN A 21 -3.970 4.459 -10.034 1.00 1.00 C ATOM 317 CG GLN A 21 -4.856 3.492 -9.246 1.00 1.00 C ATOM 318 CD GLN A 21 -6.262 4.066 -9.058 1.00 1.00 C ATOM 319 OE1 GLN A 21 -6.450 5.241 -8.788 1.00 1.00 O ATOM 320 NE2 GLN A 21 -7.236 3.174 -9.215 1.00 1.00 N ATOM 0 H GLN A 21 -2.333 5.153 -8.278 1.00 1.00 H new ATOM 0 HA GLN A 21 -2.505 2.911 -10.049 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -4.046 5.458 -9.606 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -4.323 4.525 -11.063 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -4.916 2.538 -9.770 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -4.407 3.293 -8.273 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -7.009 2.206 -9.441 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -8.210 3.458 -9.110 1.00 1.00 H new ATOM 329 N LYS A 22 -0.952 5.545 -11.017 1.00 1.00 N ATOM 330 CA LYS A 22 -0.176 6.142 -12.091 1.00 1.00 C ATOM 331 C LYS A 22 1.274 5.664 -11.993 1.00 1.00 C ATOM 332 O LYS A 22 1.942 5.483 -13.010 1.00 1.00 O ATOM 333 CB LYS A 22 -0.323 7.665 -12.076 1.00 1.00 C ATOM 334 CG LYS A 22 -0.992 8.163 -13.359 1.00 1.00 C ATOM 335 CD LYS A 22 -0.096 7.919 -14.575 1.00 1.00 C ATOM 336 CE LYS A 22 -0.471 8.852 -15.728 1.00 1.00 C ATOM 337 NZ LYS A 22 -1.201 8.110 -16.779 1.00 1.00 N ATOM 0 H LYS A 22 -0.818 5.977 -10.103 1.00 1.00 H new ATOM 0 HA LYS A 22 -0.555 5.818 -13.060 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -0.914 7.969 -11.212 1.00 1.00 H new ATOM 0 HB3 LYS A 22 0.658 8.128 -11.970 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -1.946 7.654 -13.497 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -1.209 9.227 -13.271 1.00 1.00 H new ATOM 0 HD2 LYS A 22 0.947 8.076 -14.300 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -0.188 6.882 -14.897 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -1.089 9.669 -15.356 1.00 1.00 H new ATOM 0 HE3 LYS A 22 0.429 9.299 -16.149 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -1.448 8.758 -17.554 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -0.599 7.345 -17.146 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -2.070 7.704 -16.377 1.00 1.00 H new ATOM 350 N ALA A 23 1.719 5.472 -10.760 1.00 1.00 N ATOM 351 CA ALA A 23 3.077 5.017 -10.516 1.00 1.00 C ATOM 352 C ALA A 23 3.193 3.541 -10.898 1.00 1.00 C ATOM 353 O ALA A 23 4.227 3.106 -11.404 1.00 1.00 O ATOM 354 CB ALA A 23 3.446 5.272 -9.053 1.00 1.00 C ATOM 0 H ALA A 23 1.163 5.623 -9.919 1.00 1.00 H new ATOM 0 HA ALA A 23 3.784 5.573 -11.132 1.00 1.00 H new ATOM 0 HB1 ALA A 23 4.465 4.931 -8.870 1.00 1.00 H new ATOM 0 HB2 ALA A 23 3.377 6.339 -8.841 1.00 1.00 H new ATOM 0 HB3 ALA A 23 2.759 4.728 -8.404 1.00 1.00 H new ATOM 360 N VAL A 24 2.118 2.810 -10.642 1.00 1.00 N ATOM 361 CA VAL A 24 2.086 1.391 -10.953 1.00 1.00 C ATOM 362 C VAL A 24 1.117 1.149 -12.111 1.00 1.00 C ATOM 363 O VAL A 24 -0.090 0.998 -11.932 1.00 1.00 O ATOM 364 CB VAL A 24 1.732 0.588 -9.699 1.00 1.00 C ATOM 365 CG1 VAL A 24 1.331 -0.843 -10.060 1.00 1.00 C ATOM 366 CG2 VAL A 24 2.888 0.598 -8.697 1.00 1.00 C ATOM 0 H VAL A 24 1.262 3.174 -10.223 1.00 1.00 H new ATOM 0 HA VAL A 24 3.069 1.048 -11.275 1.00 1.00 H new ATOM 0 HB VAL A 24 0.875 1.066 -9.225 1.00 1.00 H new ATOM 0 HG11 VAL A 24 1.084 -1.392 -9.151 1.00 1.00 H new ATOM 0 HG12 VAL A 24 0.463 -0.822 -10.718 1.00 1.00 H new ATOM 0 HG13 VAL A 24 2.160 -1.336 -10.568 1.00 1.00 H new ATOM 0 HG21 VAL A 24 2.610 0.020 -7.815 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.772 0.156 -9.157 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.107 1.625 -8.404 1.00 1.00 H new ATOM 376 N PRO A 25 1.681 1.115 -13.321 1.00 1.00 N ATOM 377 CA PRO A 25 0.954 0.898 -14.554 1.00 1.00 C ATOM 378 C PRO A 25 0.605 -0.577 -14.688 1.00 1.00 C ATOM 379 O PRO A 25 0.859 -1.155 -15.743 1.00 1.00 O ATOM 380 CB PRO A 25 1.916 1.335 -15.657 1.00 1.00 C ATOM 381 CG PRO A 25 3.253 1.138 -15.079 1.00 1.00 C ATOM 382 CD PRO A 25 3.096 1.289 -13.568 1.00 1.00 C ATOM 0 HA PRO A 25 0.016 1.452 -14.597 1.00 1.00 H new ATOM 0 HB2 PRO A 25 1.782 0.739 -16.560 1.00 1.00 H new ATOM 0 HB3 PRO A 25 1.754 2.376 -15.936 1.00 1.00 H new ATOM 0 HG2 PRO A 25 3.644 0.153 -15.332 1.00 1.00 H new ATOM 0 HG3 PRO A 25 3.958 1.871 -15.471 1.00 1.00 H new ATOM 0 HD2 PRO A 25 3.685 0.544 -13.033 1.00 1.00 H new ATOM 0 HD3 PRO A 25 3.438 2.267 -13.231 1.00 1.00 H new ATOM 390 N ASP A 26 0.039 -1.151 -13.635 1.00 1.00 N ATOM 391 CA ASP A 26 -0.332 -2.556 -13.659 1.00 1.00 C ATOM 392 C ASP A 26 -1.228 -2.862 -12.457 1.00 1.00 C ATOM 393 O ASP A 26 -0.748 -3.312 -11.418 1.00 1.00 O ATOM 394 CB ASP A 26 0.903 -3.454 -13.568 1.00 1.00 C ATOM 395 CG ASP A 26 2.120 -2.961 -14.354 1.00 1.00 C ATOM 396 OD1 ASP A 26 3.026 -2.324 -13.797 1.00 1.00 O ATOM 397 OD2 ASP A 26 2.116 -3.260 -15.609 1.00 1.00 O ATOM 0 H ASP A 26 -0.171 -0.669 -12.761 1.00 1.00 H new ATOM 0 HA ASP A 26 -0.851 -2.752 -14.597 1.00 1.00 H new ATOM 0 HB2 ASP A 26 1.183 -3.556 -12.520 1.00 1.00 H new ATOM 0 HB3 ASP A 26 0.637 -4.449 -13.925 1.00 1.00 H new ATOM 403 N CYS A 27 -2.516 -2.606 -12.639 1.00 1.00 N ATOM 404 CA CYS A 27 -3.483 -2.848 -11.583 1.00 1.00 C ATOM 405 C CYS A 27 -3.642 -4.361 -11.415 1.00 1.00 C ATOM 406 O CYS A 27 -4.731 -4.899 -11.607 1.00 1.00 O ATOM 407 CB CYS A 27 -4.820 -2.162 -11.872 1.00 1.00 C ATOM 408 SG CYS A 27 -4.693 -0.601 -12.818 1.00 1.00 S ATOM 0 H CYS A 27 -2.911 -2.233 -13.502 1.00 1.00 H new ATOM 0 HA CYS A 27 -3.122 -2.416 -10.650 1.00 1.00 H new ATOM 0 HB2 CYS A 27 -5.456 -2.854 -12.424 1.00 1.00 H new ATOM 0 HB3 CYS A 27 -5.319 -1.957 -10.925 1.00 1.00 H new ATOM 413 N LYS A 28 -2.540 -5.003 -11.058 1.00 1.00 N ATOM 414 CA LYS A 28 -2.543 -6.443 -10.862 1.00 1.00 C ATOM 415 C LYS A 28 -1.635 -6.795 -9.682 1.00 1.00 C ATOM 416 O LYS A 28 -2.059 -7.476 -8.750 1.00 1.00 O ATOM 417 CB LYS A 28 -2.170 -7.161 -12.160 1.00 1.00 C ATOM 418 CG LYS A 28 -1.223 -6.308 -13.007 1.00 1.00 C ATOM 419 CD LYS A 28 -0.811 -7.046 -14.282 1.00 1.00 C ATOM 420 CE LYS A 28 -1.492 -6.440 -15.510 1.00 1.00 C ATOM 421 NZ LYS A 28 -2.901 -6.885 -15.594 1.00 1.00 N ATOM 0 H LYS A 28 -1.639 -4.553 -10.899 1.00 1.00 H new ATOM 0 HA LYS A 28 -3.545 -6.791 -10.609 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -1.697 -8.115 -11.929 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -3.073 -7.383 -12.729 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -1.710 -5.368 -13.268 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -0.336 -6.057 -12.425 1.00 1.00 H new ATOM 0 HD2 LYS A 28 0.271 -6.998 -14.401 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -1.076 -8.100 -14.198 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -1.451 -5.352 -15.456 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -0.957 -6.735 -16.413 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -3.348 -6.464 -16.433 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -2.934 -7.922 -15.667 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -3.412 -6.582 -14.741 1.00 1.00 H new ATOM 434 N LYS A 29 -0.403 -6.314 -9.760 1.00 1.00 N ATOM 435 CA LYS A 29 0.568 -6.569 -8.710 1.00 1.00 C ATOM 436 C LYS A 29 -0.049 -6.219 -7.355 1.00 1.00 C ATOM 437 O LYS A 29 0.391 -6.719 -6.321 1.00 1.00 O ATOM 438 CB LYS A 29 1.876 -5.830 -8.999 1.00 1.00 C ATOM 439 CG LYS A 29 2.847 -5.953 -7.823 1.00 1.00 C ATOM 440 CD LYS A 29 3.537 -7.319 -7.822 1.00 1.00 C ATOM 441 CE LYS A 29 5.030 -7.179 -7.518 1.00 1.00 C ATOM 442 NZ LYS A 29 5.667 -8.511 -7.424 1.00 1.00 N ATOM 0 H LYS A 29 -0.055 -5.749 -10.535 1.00 1.00 H new ATOM 0 HA LYS A 29 0.827 -7.627 -8.679 1.00 1.00 H new ATOM 0 HB2 LYS A 29 2.336 -6.237 -9.899 1.00 1.00 H new ATOM 0 HB3 LYS A 29 1.668 -4.778 -9.195 1.00 1.00 H new ATOM 0 HG2 LYS A 29 3.596 -5.163 -7.881 1.00 1.00 H new ATOM 0 HG3 LYS A 29 2.308 -5.813 -6.886 1.00 1.00 H new ATOM 0 HD2 LYS A 29 3.070 -7.966 -7.079 1.00 1.00 H new ATOM 0 HD3 LYS A 29 3.403 -7.799 -8.792 1.00 1.00 H new ATOM 0 HE2 LYS A 29 5.513 -6.593 -8.300 1.00 1.00 H new ATOM 0 HE3 LYS A 29 5.167 -6.637 -6.582 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 6.680 -8.398 -7.217 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 5.217 -9.058 -6.662 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 5.552 -9.015 -8.326 1.00 1.00 H new ATOM 455 N CYS A 30 -1.059 -5.363 -7.404 1.00 1.00 N ATOM 456 CA CYS A 30 -1.741 -4.940 -6.192 1.00 1.00 C ATOM 457 C CYS A 30 -3.092 -5.656 -6.127 1.00 1.00 C ATOM 458 O CYS A 30 -3.573 -5.982 -5.043 1.00 1.00 O ATOM 459 CB CYS A 30 -1.898 -3.419 -6.133 1.00 1.00 C ATOM 460 SG CYS A 30 -0.696 -2.712 -4.947 1.00 1.00 S ATOM 0 H CYS A 30 -1.422 -4.951 -8.264 1.00 1.00 H new ATOM 0 HA CYS A 30 -1.144 -5.212 -5.321 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -1.740 -2.990 -7.123 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -2.913 -3.161 -5.832 1.00 1.00 H new ATOM 465 N HIS A 31 -3.664 -5.880 -7.300 1.00 1.00 N ATOM 466 CA HIS A 31 -4.950 -6.551 -7.390 1.00 1.00 C ATOM 467 C HIS A 31 -4.765 -7.932 -8.020 1.00 1.00 C ATOM 468 O HIS A 31 -4.491 -8.042 -9.214 1.00 1.00 O ATOM 469 CB HIS A 31 -5.963 -5.687 -8.143 1.00 1.00 C ATOM 470 CG HIS A 31 -6.383 -4.442 -7.398 1.00 1.00 C ATOM 471 ND1 HIS A 31 -7.186 -4.478 -6.271 1.00 1.00 N ATOM 472 CD2 HIS A 31 -6.103 -3.128 -7.629 1.00 1.00 C ATOM 473 CE1 HIS A 31 -7.375 -3.236 -5.852 1.00 1.00 C ATOM 474 NE2 HIS A 31 -6.703 -2.400 -6.695 1.00 1.00 N ATOM 0 H HIS A 31 -3.261 -5.609 -8.197 1.00 1.00 H new ATOM 0 HA HIS A 31 -5.358 -6.698 -6.390 1.00 1.00 H new ATOM 0 HB2 HIS A 31 -5.535 -5.397 -9.103 1.00 1.00 H new ATOM 0 HB3 HIS A 31 -6.848 -6.286 -8.357 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -7.567 -5.319 -5.837 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -5.496 -2.744 -8.435 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -7.959 -2.937 -4.994 1.00 1.00 H new ATOM 482 N GLU A 32 -4.922 -8.953 -7.189 1.00 1.00 N ATOM 483 CA GLU A 32 -4.775 -10.323 -7.650 1.00 1.00 C ATOM 484 C GLU A 32 -6.021 -10.759 -8.423 1.00 1.00 C ATOM 485 O GLU A 32 -6.166 -10.443 -9.603 1.00 1.00 O ATOM 486 CB GLU A 32 -4.497 -11.268 -6.480 1.00 1.00 C ATOM 487 CG GLU A 32 -4.495 -12.727 -6.942 1.00 1.00 C ATOM 488 CD GLU A 32 -3.123 -13.368 -6.726 1.00 1.00 C ATOM 489 OE1 GLU A 32 -2.237 -13.242 -7.584 1.00 1.00 O ATOM 490 OE2 GLU A 32 -2.993 -14.017 -5.618 1.00 1.00 O ATOM 0 H GLU A 32 -5.150 -8.858 -6.199 1.00 1.00 H new ATOM 0 HA GLU A 32 -3.919 -10.370 -8.323 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -3.534 -11.024 -6.031 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -5.253 -11.128 -5.708 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -5.252 -13.287 -6.394 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -4.762 -12.778 -7.997 1.00 1.00 H new ATOM 498 N LYS A 33 -6.889 -11.478 -7.727 1.00 1.00 N ATOM 499 CA LYS A 33 -8.118 -11.961 -8.333 1.00 1.00 C ATOM 500 C LYS A 33 -8.682 -10.882 -9.260 1.00 1.00 C ATOM 501 O LYS A 33 -9.333 -11.193 -10.257 1.00 1.00 O ATOM 502 CB LYS A 33 -9.102 -12.422 -7.256 1.00 1.00 C ATOM 503 CG LYS A 33 -8.776 -13.842 -6.788 1.00 1.00 C ATOM 504 CD LYS A 33 -9.999 -14.753 -6.909 1.00 1.00 C ATOM 505 CE LYS A 33 -9.584 -16.183 -7.262 1.00 1.00 C ATOM 506 NZ LYS A 33 -9.438 -16.998 -6.035 1.00 1.00 N ATOM 0 H LYS A 33 -6.765 -11.738 -6.748 1.00 1.00 H new ATOM 0 HA LYS A 33 -7.920 -12.839 -8.948 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -9.065 -11.738 -6.408 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -10.118 -12.389 -7.648 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -7.957 -14.246 -7.383 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -8.436 -13.819 -5.753 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -10.552 -14.752 -5.970 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -10.671 -14.366 -7.675 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -10.329 -16.633 -7.918 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -8.643 -16.170 -7.811 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -9.156 -17.965 -6.292 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -8.710 -16.577 -5.423 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -10.345 -17.025 -5.527 1.00 1.00 H new ATOM 519 N GLY A 34 -8.412 -9.636 -8.899 1.00 1.00 N ATOM 520 CA GLY A 34 -8.885 -8.510 -9.686 1.00 1.00 C ATOM 521 C GLY A 34 -8.973 -7.243 -8.832 1.00 1.00 C ATOM 522 O GLY A 34 -8.690 -7.241 -7.636 1.00 1.00 O ATOM 0 H GLY A 34 -7.872 -9.382 -8.072 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -8.212 -8.341 -10.526 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -9.865 -8.740 -10.104 1.00 1.00 H new ATOM 526 N PRO A 35 -9.379 -6.151 -9.483 1.00 1.00 N ATOM 527 CA PRO A 35 -9.535 -4.848 -8.873 1.00 1.00 C ATOM 528 C PRO A 35 -10.635 -4.905 -7.822 1.00 1.00 C ATOM 529 O PRO A 35 -11.746 -5.321 -8.148 1.00 1.00 O ATOM 530 CB PRO A 35 -9.923 -3.921 -10.023 1.00 1.00 C ATOM 531 CG PRO A 35 -9.478 -4.673 -11.319 1.00 1.00 C ATOM 532 CD PRO A 35 -9.720 -6.117 -10.889 1.00 1.00 C ATOM 0 HA PRO A 35 -8.632 -4.504 -8.369 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -10.996 -3.727 -10.028 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -9.425 -2.955 -9.937 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -10.073 -4.392 -12.188 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -8.435 -4.484 -11.572 1.00 1.00 H new ATOM 0 HD2 PRO A 35 -10.758 -6.408 -11.051 1.00 1.00 H new ATOM 0 HD3 PRO A 35 -9.102 -6.808 -11.462 1.00 1.00 H new ATOM 540 N GLY A 36 -10.314 -4.495 -6.604 1.00 1.00 N ATOM 541 CA GLY A 36 -11.291 -4.510 -5.528 1.00 1.00 C ATOM 542 C GLY A 36 -10.650 -4.954 -4.212 1.00 1.00 C ATOM 543 O GLY A 36 -9.458 -4.738 -3.994 1.00 1.00 O ATOM 0 H GLY A 36 -9.392 -4.150 -6.338 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -11.722 -3.516 -5.410 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -12.109 -5.184 -5.784 1.00 1.00 H new ATOM 547 N LYS A 37 -11.468 -5.566 -3.368 1.00 1.00 N ATOM 548 CA LYS A 37 -10.996 -6.042 -2.079 1.00 1.00 C ATOM 549 C LYS A 37 -9.923 -7.111 -2.297 1.00 1.00 C ATOM 550 O LYS A 37 -9.974 -7.857 -3.274 1.00 1.00 O ATOM 551 CB LYS A 37 -12.170 -6.515 -1.220 1.00 1.00 C ATOM 552 CG LYS A 37 -12.588 -7.937 -1.598 1.00 1.00 C ATOM 553 CD LYS A 37 -13.669 -8.461 -0.650 1.00 1.00 C ATOM 554 CE LYS A 37 -13.045 -9.132 0.576 1.00 1.00 C ATOM 555 NZ LYS A 37 -12.769 -10.559 0.301 1.00 1.00 N ATOM 0 H LYS A 37 -12.455 -5.743 -3.552 1.00 1.00 H new ATOM 0 HA LYS A 37 -10.529 -5.231 -1.521 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -11.891 -6.482 -0.167 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -13.015 -5.838 -1.347 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -12.960 -7.950 -2.622 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -11.720 -8.596 -1.565 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -14.309 -7.638 -0.332 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -14.304 -9.174 -1.176 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -12.120 -8.622 0.846 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -13.718 -9.043 1.429 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -12.346 -10.999 1.143 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -13.658 -11.045 0.066 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -12.109 -10.637 -0.499 1.00 1.00 H new ATOM 568 N ILE A 38 -8.976 -7.150 -1.371 1.00 1.00 N ATOM 569 CA ILE A 38 -7.893 -8.116 -1.450 1.00 1.00 C ATOM 570 C ILE A 38 -8.012 -9.105 -0.289 1.00 1.00 C ATOM 571 O ILE A 38 -8.201 -8.703 0.858 1.00 1.00 O ATOM 572 CB ILE A 38 -6.542 -7.400 -1.512 1.00 1.00 C ATOM 573 CG1 ILE A 38 -6.558 -6.287 -2.561 1.00 1.00 C ATOM 574 CG2 ILE A 38 -5.405 -8.396 -1.751 1.00 1.00 C ATOM 575 CD1 ILE A 38 -5.355 -5.356 -2.391 1.00 1.00 C ATOM 0 H ILE A 38 -8.936 -6.529 -0.563 1.00 1.00 H new ATOM 0 HA ILE A 38 -7.964 -8.695 -2.371 1.00 1.00 H new ATOM 0 HB ILE A 38 -6.361 -6.929 -0.546 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -6.546 -6.723 -3.560 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -7.481 -5.714 -2.474 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -4.456 -7.862 -1.791 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.379 -9.121 -0.938 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.569 -8.916 -2.695 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -5.390 -4.574 -3.149 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.383 -4.903 -1.400 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.434 -5.928 -2.502 1.00 1.00 H new ATOM 587 N GLU A 39 -7.897 -10.381 -0.628 1.00 1.00 N ATOM 588 CA GLU A 39 -7.990 -11.432 0.372 1.00 1.00 C ATOM 589 C GLU A 39 -6.592 -11.872 0.811 1.00 1.00 C ATOM 590 O GLU A 39 -5.830 -12.417 0.014 1.00 1.00 O ATOM 591 CB GLU A 39 -8.799 -12.619 -0.154 1.00 1.00 C ATOM 592 CG GLU A 39 -8.277 -13.077 -1.518 1.00 1.00 C ATOM 593 CD GLU A 39 -8.154 -14.601 -1.574 1.00 1.00 C ATOM 594 OE1 GLU A 39 -7.034 -15.131 -1.614 1.00 1.00 O ATOM 595 OE2 GLU A 39 -9.275 -15.239 -1.576 1.00 1.00 O ATOM 0 H GLU A 39 -7.740 -10.711 -1.580 1.00 1.00 H new ATOM 0 HA GLU A 39 -8.514 -11.035 1.241 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -8.744 -13.444 0.556 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -9.849 -12.339 -0.238 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -8.951 -12.734 -2.303 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -7.305 -12.623 -1.711 1.00 1.00 H new ATOM 603 N GLY A 40 -6.297 -11.618 2.077 1.00 1.00 N ATOM 604 CA GLY A 40 -5.004 -11.981 2.632 1.00 1.00 C ATOM 605 C GLY A 40 -4.297 -10.759 3.221 1.00 1.00 C ATOM 606 O GLY A 40 -3.733 -10.829 4.312 1.00 1.00 O ATOM 0 H GLY A 40 -6.931 -11.165 2.735 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -5.136 -12.737 3.406 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -4.383 -12.425 1.855 1.00 1.00 H new ATOM 610 N PHE A 41 -4.351 -9.666 2.473 1.00 1.00 N ATOM 611 CA PHE A 41 -3.723 -8.430 2.908 1.00 1.00 C ATOM 612 C PHE A 41 -4.439 -7.852 4.131 1.00 1.00 C ATOM 613 O PHE A 41 -5.668 -7.842 4.187 1.00 1.00 O ATOM 614 CB PHE A 41 -3.837 -7.438 1.749 1.00 1.00 C ATOM 615 CG PHE A 41 -3.157 -6.093 2.011 1.00 1.00 C ATOM 616 CD1 PHE A 41 -3.746 -5.182 2.831 1.00 1.00 C ATOM 617 CD2 PHE A 41 -1.963 -5.809 1.425 1.00 1.00 C ATOM 618 CE1 PHE A 41 -3.115 -3.933 3.075 1.00 1.00 C ATOM 619 CE2 PHE A 41 -1.332 -4.560 1.669 1.00 1.00 C ATOM 620 CZ PHE A 41 -1.921 -3.649 2.488 1.00 1.00 C ATOM 0 H PHE A 41 -4.820 -9.611 1.569 1.00 1.00 H new ATOM 0 HA PHE A 41 -2.685 -8.617 3.183 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -3.400 -7.886 0.857 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -4.892 -7.265 1.535 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -4.694 -5.408 3.297 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -1.495 -6.533 0.774 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -3.583 -3.209 3.726 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -0.384 -4.334 1.204 1.00 1.00 H new ATOM 0 HZ PHE A 41 -1.441 -2.699 2.673 1.00 1.00 H new ATOM 630 N GLY A 42 -3.640 -7.384 5.078 1.00 1.00 N ATOM 631 CA GLY A 42 -4.182 -6.806 6.296 1.00 1.00 C ATOM 632 C GLY A 42 -3.084 -6.129 7.118 1.00 1.00 C ATOM 633 O GLY A 42 -3.313 -5.085 7.727 1.00 1.00 O ATOM 0 H GLY A 42 -2.621 -7.393 5.027 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -4.954 -6.079 6.045 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -4.659 -7.585 6.891 1.00 1.00 H new ATOM 637 N LYS A 43 -1.914 -6.750 7.109 1.00 1.00 N ATOM 638 CA LYS A 43 -0.779 -6.221 7.845 1.00 1.00 C ATOM 639 C LYS A 43 0.517 -6.751 7.228 1.00 1.00 C ATOM 640 O LYS A 43 1.172 -6.053 6.456 1.00 1.00 O ATOM 641 CB LYS A 43 -0.919 -6.527 9.338 1.00 1.00 C ATOM 642 CG LYS A 43 0.113 -5.749 10.156 1.00 1.00 C ATOM 643 CD LYS A 43 0.971 -6.696 10.999 1.00 1.00 C ATOM 644 CE LYS A 43 1.454 -6.007 12.277 1.00 1.00 C ATOM 645 NZ LYS A 43 2.278 -6.934 13.085 1.00 1.00 N ATOM 0 H LYS A 43 -1.727 -7.616 6.603 1.00 1.00 H new ATOM 0 HA LYS A 43 -0.748 -5.134 7.767 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -1.924 -6.269 9.673 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -0.791 -7.596 9.507 1.00 1.00 H new ATOM 0 HG2 LYS A 43 0.752 -5.171 9.488 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -0.395 -5.037 10.806 1.00 1.00 H new ATOM 0 HD2 LYS A 43 0.393 -7.584 11.256 1.00 1.00 H new ATOM 0 HD3 LYS A 43 1.829 -7.032 10.416 1.00 1.00 H new ATOM 0 HE2 LYS A 43 2.036 -5.121 12.022 1.00 1.00 H new ATOM 0 HE3 LYS A 43 0.598 -5.669 12.861 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 2.598 -6.451 13.949 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 1.711 -7.767 13.344 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 3.105 -7.236 12.531 1.00 1.00 H new ATOM 658 N GLU A 44 0.848 -7.982 7.592 1.00 1.00 N ATOM 659 CA GLU A 44 2.053 -8.614 7.084 1.00 1.00 C ATOM 660 C GLU A 44 2.307 -8.186 5.637 1.00 1.00 C ATOM 661 O GLU A 44 3.388 -7.699 5.311 1.00 1.00 O ATOM 662 CB GLU A 44 1.964 -10.137 7.198 1.00 1.00 C ATOM 663 CG GLU A 44 2.997 -10.816 6.297 1.00 1.00 C ATOM 664 CD GLU A 44 4.269 -11.153 7.077 1.00 1.00 C ATOM 665 OE1 GLU A 44 4.919 -10.249 7.623 1.00 1.00 O ATOM 666 OE2 GLU A 44 4.575 -12.406 7.107 1.00 1.00 O ATOM 0 H GLU A 44 0.302 -8.558 8.233 1.00 1.00 H new ATOM 0 HA GLU A 44 2.896 -8.286 7.693 1.00 1.00 H new ATOM 0 HB2 GLU A 44 2.126 -10.438 8.233 1.00 1.00 H new ATOM 0 HB3 GLU A 44 0.963 -10.468 6.923 1.00 1.00 H new ATOM 0 HG2 GLU A 44 2.573 -11.727 5.875 1.00 1.00 H new ATOM 0 HG3 GLU A 44 3.242 -10.161 5.461 1.00 1.00 H new ATOM 674 N MET A 45 1.293 -8.385 4.808 1.00 1.00 N ATOM 675 CA MET A 45 1.392 -8.026 3.404 1.00 1.00 C ATOM 676 C MET A 45 1.967 -6.618 3.237 1.00 1.00 C ATOM 677 O MET A 45 2.942 -6.424 2.513 1.00 1.00 O ATOM 678 CB MET A 45 0.005 -8.090 2.761 1.00 1.00 C ATOM 679 CG MET A 45 -0.389 -9.536 2.451 1.00 1.00 C ATOM 680 SD MET A 45 0.790 -10.262 1.325 1.00 1.00 S ATOM 681 CE MET A 45 -0.219 -11.546 0.605 1.00 1.00 C ATOM 0 H MET A 45 0.398 -8.791 5.082 1.00 1.00 H new ATOM 0 HA MET A 45 2.062 -8.733 2.915 1.00 1.00 H new ATOM 0 HB2 MET A 45 -0.731 -7.644 3.430 1.00 1.00 H new ATOM 0 HB3 MET A 45 -0.002 -7.503 1.843 1.00 1.00 H new ATOM 0 HG2 MET A 45 -0.429 -10.116 3.373 1.00 1.00 H new ATOM 0 HG3 MET A 45 -1.387 -9.564 2.013 1.00 1.00 H new ATOM 0 HE1 MET A 45 0.367 -12.102 -0.127 1.00 1.00 H new ATOM 0 HE2 MET A 45 -0.559 -12.224 1.388 1.00 1.00 H new ATOM 0 HE3 MET A 45 -1.082 -11.098 0.113 1.00 1.00 H new ATOM 691 N ALA A 46 1.339 -5.672 3.920 1.00 1.00 N ATOM 692 CA ALA A 46 1.777 -4.288 3.857 1.00 1.00 C ATOM 693 C ALA A 46 3.230 -4.194 4.326 1.00 1.00 C ATOM 694 O ALA A 46 4.045 -3.516 3.703 1.00 1.00 O ATOM 695 CB ALA A 46 0.837 -3.417 4.692 1.00 1.00 C ATOM 0 H ALA A 46 0.531 -5.837 4.520 1.00 1.00 H new ATOM 0 HA ALA A 46 1.738 -3.920 2.832 1.00 1.00 H new ATOM 0 HB1 ALA A 46 1.165 -2.379 4.645 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -0.177 -3.495 4.299 1.00 1.00 H new ATOM 0 HB3 ALA A 46 0.852 -3.756 5.728 1.00 1.00 H new ATOM 701 N HIS A 47 3.510 -4.886 5.421 1.00 1.00 N ATOM 702 CA HIS A 47 4.851 -4.890 5.982 1.00 1.00 C ATOM 703 C HIS A 47 5.746 -5.822 5.164 1.00 1.00 C ATOM 704 O HIS A 47 6.899 -6.056 5.525 1.00 1.00 O ATOM 705 CB HIS A 47 4.817 -5.252 7.468 1.00 1.00 C ATOM 706 CG HIS A 47 3.993 -4.309 8.311 1.00 1.00 C ATOM 707 ND1 HIS A 47 3.105 -4.749 9.278 1.00 1.00 N ATOM 708 CD2 HIS A 47 3.932 -2.946 8.324 1.00 1.00 C ATOM 709 CE1 HIS A 47 2.540 -3.691 9.839 1.00 1.00 C ATOM 710 NE2 HIS A 47 3.053 -2.574 9.247 1.00 1.00 N ATOM 0 H HIS A 47 2.831 -5.448 5.935 1.00 1.00 H new ATOM 0 HA HIS A 47 5.278 -3.889 5.922 1.00 1.00 H new ATOM 0 HB2 HIS A 47 4.420 -6.261 7.577 1.00 1.00 H new ATOM 0 HB3 HIS A 47 5.837 -5.268 7.851 1.00 1.00 H new ATOM 0 HD1 HIS A 47 2.918 -5.723 9.517 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.502 -2.282 7.691 1.00 1.00 H new ATOM 0 HE1 HIS A 47 1.802 -3.709 10.627 1.00 1.00 H new ATOM 718 N GLY A 48 5.182 -6.330 4.078 1.00 1.00 N ATOM 719 CA GLY A 48 5.915 -7.232 3.206 1.00 1.00 C ATOM 720 C GLY A 48 5.386 -7.159 1.772 1.00 1.00 C ATOM 721 O GLY A 48 5.095 -6.075 1.268 1.00 1.00 O ATOM 0 H GLY A 48 4.226 -6.134 3.782 1.00 1.00 H new ATOM 0 HA2 GLY A 48 6.974 -6.976 3.220 1.00 1.00 H new ATOM 0 HA3 GLY A 48 5.829 -8.253 3.578 1.00 1.00 H new ATOM 725 N LYS A 49 5.278 -8.326 1.155 1.00 1.00 N ATOM 726 CA LYS A 49 4.789 -8.409 -0.211 1.00 1.00 C ATOM 727 C LYS A 49 3.362 -7.862 -0.271 1.00 1.00 C ATOM 728 O LYS A 49 2.399 -8.628 -0.266 1.00 1.00 O ATOM 729 CB LYS A 49 4.924 -9.837 -0.743 1.00 1.00 C ATOM 730 CG LYS A 49 5.016 -9.846 -2.271 1.00 1.00 C ATOM 731 CD LYS A 49 3.702 -10.317 -2.896 1.00 1.00 C ATOM 732 CE LYS A 49 3.020 -9.181 -3.661 1.00 1.00 C ATOM 733 NZ LYS A 49 1.557 -9.211 -3.437 1.00 1.00 N ATOM 0 H LYS A 49 5.521 -9.223 1.576 1.00 1.00 H new ATOM 0 HA LYS A 49 5.396 -7.790 -0.871 1.00 1.00 H new ATOM 0 HB2 LYS A 49 5.813 -10.305 -0.319 1.00 1.00 H new ATOM 0 HB3 LYS A 49 4.068 -10.431 -0.423 1.00 1.00 H new ATOM 0 HG2 LYS A 49 5.256 -8.845 -2.630 1.00 1.00 H new ATOM 0 HG3 LYS A 49 5.828 -10.501 -2.586 1.00 1.00 H new ATOM 0 HD2 LYS A 49 3.895 -11.151 -3.571 1.00 1.00 H new ATOM 0 HD3 LYS A 49 3.036 -10.686 -2.116 1.00 1.00 H new ATOM 0 HE2 LYS A 49 3.424 -8.222 -3.336 1.00 1.00 H new ATOM 0 HE3 LYS A 49 3.233 -9.273 -4.726 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 1.109 -8.434 -3.963 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 1.174 -10.119 -3.768 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 1.359 -9.101 -2.422 1.00 1.00 H new ATOM 746 N GLY A 50 3.269 -6.542 -0.327 1.00 1.00 N ATOM 747 CA GLY A 50 1.975 -5.884 -0.388 1.00 1.00 C ATOM 748 C GLY A 50 2.136 -4.371 -0.547 1.00 1.00 C ATOM 749 O GLY A 50 1.480 -3.758 -1.388 1.00 1.00 O ATOM 0 H GLY A 50 4.069 -5.910 -0.331 1.00 1.00 H new ATOM 0 HA2 GLY A 50 1.400 -6.282 -1.224 1.00 1.00 H new ATOM 0 HA3 GLY A 50 1.410 -6.100 0.519 1.00 1.00 H new ATOM 753 N CYS A 51 3.013 -3.812 0.274 1.00 1.00 N ATOM 754 CA CYS A 51 3.268 -2.382 0.235 1.00 1.00 C ATOM 755 C CYS A 51 4.778 -2.160 0.351 1.00 1.00 C ATOM 756 O CYS A 51 5.379 -1.504 -0.498 1.00 1.00 O ATOM 757 CB CYS A 51 2.497 -1.640 1.329 1.00 1.00 C ATOM 758 SG CYS A 51 0.702 -1.991 1.376 1.00 1.00 S ATOM 0 H CYS A 51 3.556 -4.323 0.970 1.00 1.00 H new ATOM 0 HA CYS A 51 2.913 -1.972 -0.711 1.00 1.00 H new ATOM 0 HB2 CYS A 51 2.929 -1.897 2.296 1.00 1.00 H new ATOM 0 HB3 CYS A 51 2.640 -0.568 1.191 1.00 1.00 H new ATOM 763 N LYS A 52 5.347 -2.720 1.408 1.00 1.00 N ATOM 764 CA LYS A 52 6.774 -2.592 1.645 1.00 1.00 C ATOM 765 C LYS A 52 7.536 -3.411 0.601 1.00 1.00 C ATOM 766 O LYS A 52 8.455 -2.904 -0.040 1.00 1.00 O ATOM 767 CB LYS A 52 7.114 -2.968 3.089 1.00 1.00 C ATOM 768 CG LYS A 52 7.851 -1.828 3.795 1.00 1.00 C ATOM 769 CD LYS A 52 9.359 -1.921 3.558 1.00 1.00 C ATOM 770 CE LYS A 52 10.002 -2.933 4.508 1.00 1.00 C ATOM 771 NZ LYS A 52 10.843 -2.241 5.510 1.00 1.00 N ATOM 0 H LYS A 52 4.845 -3.264 2.110 1.00 1.00 H new ATOM 0 HA LYS A 52 7.087 -1.555 1.528 1.00 1.00 H new ATOM 0 HB2 LYS A 52 6.199 -3.205 3.632 1.00 1.00 H new ATOM 0 HB3 LYS A 52 7.732 -3.866 3.099 1.00 1.00 H new ATOM 0 HG2 LYS A 52 7.480 -0.870 3.431 1.00 1.00 H new ATOM 0 HG3 LYS A 52 7.644 -1.864 4.865 1.00 1.00 H new ATOM 0 HD2 LYS A 52 9.551 -2.213 2.526 1.00 1.00 H new ATOM 0 HD3 LYS A 52 9.814 -0.941 3.702 1.00 1.00 H new ATOM 0 HE2 LYS A 52 9.227 -3.511 5.012 1.00 1.00 H new ATOM 0 HE3 LYS A 52 10.608 -3.639 3.941 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 10.827 -2.773 6.403 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 11.821 -2.180 5.160 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 10.473 -1.283 5.671 1.00 1.00 H new ATOM 784 N GLY A 53 7.126 -4.663 0.464 1.00 1.00 N ATOM 785 CA GLY A 53 7.758 -5.556 -0.492 1.00 1.00 C ATOM 786 C GLY A 53 8.151 -4.807 -1.767 1.00 1.00 C ATOM 787 O GLY A 53 9.269 -4.954 -2.257 1.00 1.00 O ATOM 0 H GLY A 53 6.364 -5.080 0.999 1.00 1.00 H new ATOM 0 HA2 GLY A 53 8.643 -6.007 -0.043 1.00 1.00 H new ATOM 0 HA3 GLY A 53 7.077 -6.370 -0.740 1.00 1.00 H new ATOM 791 N CYS A 54 7.209 -4.021 -2.266 1.00 1.00 N ATOM 792 CA CYS A 54 7.443 -3.248 -3.475 1.00 1.00 C ATOM 793 C CYS A 54 8.338 -2.059 -3.119 1.00 1.00 C ATOM 794 O CYS A 54 9.265 -1.732 -3.859 1.00 1.00 O ATOM 795 CB CYS A 54 6.131 -2.801 -4.123 1.00 1.00 C ATOM 796 SG CYS A 54 6.459 -2.105 -5.783 1.00 1.00 S ATOM 0 H CYS A 54 6.283 -3.902 -1.856 1.00 1.00 H new ATOM 0 HA CYS A 54 7.945 -3.870 -4.216 1.00 1.00 H new ATOM 0 HB2 CYS A 54 5.448 -3.647 -4.203 1.00 1.00 H new ATOM 0 HB3 CYS A 54 5.642 -2.055 -3.497 1.00 1.00 H new ATOM 801 N HIS A 55 8.030 -1.445 -1.987 1.00 1.00 N ATOM 802 CA HIS A 55 8.795 -0.300 -1.524 1.00 1.00 C ATOM 803 C HIS A 55 10.260 -0.700 -1.345 1.00 1.00 C ATOM 804 O HIS A 55 11.162 0.029 -1.757 1.00 1.00 O ATOM 805 CB HIS A 55 8.180 0.286 -0.251 1.00 1.00 C ATOM 806 CG HIS A 55 6.796 0.858 -0.445 1.00 1.00 C ATOM 807 ND1 HIS A 55 5.912 1.053 0.602 1.00 1.00 N ATOM 808 CD2 HIS A 55 6.153 1.275 -1.574 1.00 1.00 C ATOM 809 CE1 HIS A 55 4.792 1.564 0.114 1.00 1.00 C ATOM 810 NE2 HIS A 55 4.943 1.700 -1.235 1.00 1.00 N ATOM 0 H HIS A 55 7.260 -1.719 -1.376 1.00 1.00 H new ATOM 0 HA HIS A 55 8.760 0.492 -2.272 1.00 1.00 H new ATOM 0 HB2 HIS A 55 8.137 -0.492 0.511 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.836 1.069 0.130 1.00 1.00 H new ATOM 0 HD1 HIS A 55 6.093 0.839 1.583 1.00 1.00 H new ATOM 0 HD2 HIS A 55 6.560 1.261 -2.574 1.00 1.00 H new ATOM 0 HE1 HIS A 55 3.913 1.827 0.684 1.00 1.00 H new ATOM 818 N GLU A 56 10.453 -1.857 -0.729 1.00 1.00 N ATOM 819 CA GLU A 56 11.794 -2.363 -0.490 1.00 1.00 C ATOM 820 C GLU A 56 12.355 -3.002 -1.762 1.00 1.00 C ATOM 821 O GLU A 56 13.569 -3.049 -1.953 1.00 1.00 O ATOM 822 CB GLU A 56 11.806 -3.357 0.674 1.00 1.00 C ATOM 823 CG GLU A 56 10.611 -4.310 0.593 1.00 1.00 C ATOM 824 CD GLU A 56 11.024 -5.739 0.952 1.00 1.00 C ATOM 825 OE1 GLU A 56 11.543 -5.976 2.053 1.00 1.00 O ATOM 826 OE2 GLU A 56 10.788 -6.620 0.040 1.00 1.00 O ATOM 0 H GLU A 56 9.703 -2.459 -0.388 1.00 1.00 H new ATOM 0 HA GLU A 56 12.434 -1.524 -0.215 1.00 1.00 H new ATOM 0 HB2 GLU A 56 12.734 -3.929 0.659 1.00 1.00 H new ATOM 0 HB3 GLU A 56 11.781 -2.816 1.620 1.00 1.00 H new ATOM 0 HG2 GLU A 56 9.826 -3.973 1.270 1.00 1.00 H new ATOM 0 HG3 GLU A 56 10.193 -4.290 -0.414 1.00 1.00 H new ATOM 834 N GLU A 57 11.445 -3.477 -2.599 1.00 1.00 N ATOM 835 CA GLU A 57 11.833 -4.110 -3.847 1.00 1.00 C ATOM 836 C GLU A 57 12.201 -3.051 -4.888 1.00 1.00 C ATOM 837 O GLU A 57 13.087 -3.268 -5.714 1.00 1.00 O ATOM 838 CB GLU A 57 10.724 -5.027 -4.366 1.00 1.00 C ATOM 839 CG GLU A 57 11.026 -5.503 -5.788 1.00 1.00 C ATOM 840 CD GLU A 57 12.382 -6.207 -5.854 1.00 1.00 C ATOM 841 OE1 GLU A 57 12.751 -6.931 -4.918 1.00 1.00 O ATOM 842 OE2 GLU A 57 13.062 -5.981 -6.927 1.00 1.00 O ATOM 0 H GLU A 57 10.439 -3.436 -2.437 1.00 1.00 H new ATOM 0 HA GLU A 57 12.711 -4.728 -3.660 1.00 1.00 H new ATOM 0 HB2 GLU A 57 10.620 -5.888 -3.705 1.00 1.00 H new ATOM 0 HB3 GLU A 57 9.772 -4.497 -4.351 1.00 1.00 H new ATOM 0 HG2 GLU A 57 10.242 -6.183 -6.122 1.00 1.00 H new ATOM 0 HG3 GLU A 57 11.021 -4.652 -6.469 1.00 1.00 H new ATOM 850 N MET A 58 11.502 -1.928 -4.815 1.00 1.00 N ATOM 851 CA MET A 58 11.743 -0.834 -5.741 1.00 1.00 C ATOM 852 C MET A 58 12.663 0.219 -5.118 1.00 1.00 C ATOM 853 O MET A 58 13.557 0.738 -5.783 1.00 1.00 O ATOM 854 CB MET A 58 10.411 -0.186 -6.125 1.00 1.00 C ATOM 855 CG MET A 58 9.515 -1.177 -6.870 1.00 1.00 C ATOM 856 SD MET A 58 8.359 -0.295 -7.906 1.00 1.00 S ATOM 857 CE MET A 58 8.696 -1.071 -9.477 1.00 1.00 C ATOM 0 H MET A 58 10.768 -1.752 -4.129 1.00 1.00 H new ATOM 0 HA MET A 58 12.231 -1.236 -6.629 1.00 1.00 H new ATOM 0 HB2 MET A 58 9.902 0.167 -5.228 1.00 1.00 H new ATOM 0 HB3 MET A 58 10.594 0.687 -6.752 1.00 1.00 H new ATOM 0 HG2 MET A 58 10.125 -1.845 -7.478 1.00 1.00 H new ATOM 0 HG3 MET A 58 8.975 -1.799 -6.156 1.00 1.00 H new ATOM 0 HE1 MET A 58 8.055 -0.635 -10.243 1.00 1.00 H new ATOM 0 HE2 MET A 58 9.741 -0.912 -9.745 1.00 1.00 H new ATOM 0 HE3 MET A 58 8.499 -2.140 -9.404 1.00 1.00 H new ATOM 867 N LYS A 59 12.410 0.502 -3.849 1.00 1.00 N ATOM 868 CA LYS A 59 13.203 1.483 -3.128 1.00 1.00 C ATOM 869 C LYS A 59 12.764 2.889 -3.540 1.00 1.00 C ATOM 870 O LYS A 59 13.597 3.736 -3.860 1.00 1.00 O ATOM 871 CB LYS A 59 14.697 1.221 -3.335 1.00 1.00 C ATOM 872 CG LYS A 59 15.029 -0.257 -3.118 1.00 1.00 C ATOM 873 CD LYS A 59 15.421 -0.523 -1.664 1.00 1.00 C ATOM 874 CE LYS A 59 16.932 -0.726 -1.532 1.00 1.00 C ATOM 875 NZ LYS A 59 17.319 -0.828 -0.107 1.00 1.00 N ATOM 0 H LYS A 59 11.667 0.069 -3.301 1.00 1.00 H new ATOM 0 HA LYS A 59 13.033 1.396 -2.055 1.00 1.00 H new ATOM 0 HB2 LYS A 59 14.986 1.518 -4.343 1.00 1.00 H new ATOM 0 HB3 LYS A 59 15.277 1.833 -2.644 1.00 1.00 H new ATOM 0 HG2 LYS A 59 14.168 -0.870 -3.384 1.00 1.00 H new ATOM 0 HG3 LYS A 59 15.845 -0.551 -3.778 1.00 1.00 H new ATOM 0 HD2 LYS A 59 15.107 0.314 -1.040 1.00 1.00 H new ATOM 0 HD3 LYS A 59 14.898 -1.407 -1.299 1.00 1.00 H new ATOM 0 HE2 LYS A 59 17.231 -1.631 -2.062 1.00 1.00 H new ATOM 0 HE3 LYS A 59 17.459 0.106 -1.999 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 18.347 -0.966 -0.036 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 17.051 0.046 0.389 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 16.831 -1.636 0.328 1.00 1.00 H new ATOM 888 N LYS A 60 11.455 3.096 -3.517 1.00 1.00 N ATOM 889 CA LYS A 60 10.894 4.385 -3.884 1.00 1.00 C ATOM 890 C LYS A 60 9.862 4.804 -2.836 1.00 1.00 C ATOM 891 O LYS A 60 9.854 5.951 -2.391 1.00 1.00 O ATOM 892 CB LYS A 60 10.341 4.343 -5.310 1.00 1.00 C ATOM 893 CG LYS A 60 11.400 4.782 -6.323 1.00 1.00 C ATOM 894 CD LYS A 60 11.317 3.945 -7.601 1.00 1.00 C ATOM 895 CE LYS A 60 12.427 4.329 -8.581 1.00 1.00 C ATOM 896 NZ LYS A 60 13.523 3.335 -8.537 1.00 1.00 N ATOM 0 H LYS A 60 10.767 2.392 -3.250 1.00 1.00 H new ATOM 0 HA LYS A 60 11.670 5.150 -3.891 1.00 1.00 H new ATOM 0 HB2 LYS A 60 10.006 3.333 -5.544 1.00 1.00 H new ATOM 0 HB3 LYS A 60 9.469 4.993 -5.385 1.00 1.00 H new ATOM 0 HG2 LYS A 60 11.262 5.836 -6.565 1.00 1.00 H new ATOM 0 HG3 LYS A 60 12.392 4.683 -5.883 1.00 1.00 H new ATOM 0 HD2 LYS A 60 11.396 2.887 -7.353 1.00 1.00 H new ATOM 0 HD3 LYS A 60 10.345 4.090 -8.072 1.00 1.00 H new ATOM 0 HE2 LYS A 60 12.023 4.390 -9.592 1.00 1.00 H new ATOM 0 HE3 LYS A 60 12.814 5.317 -8.333 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 14.268 3.610 -9.208 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 13.919 3.297 -7.576 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 13.153 2.398 -8.796 1.00 1.00 H new ATOM 909 N GLY A 61 9.016 3.852 -2.471 1.00 1.00 N ATOM 910 CA GLY A 61 7.982 4.108 -1.483 1.00 1.00 C ATOM 911 C GLY A 61 8.571 4.156 -0.072 1.00 1.00 C ATOM 912 O GLY A 61 9.780 4.074 0.134 1.00 1.00 O ATOM 0 H GLY A 61 9.026 2.902 -2.842 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.487 5.053 -1.706 1.00 1.00 H new ATOM 0 HA3 GLY A 61 7.222 3.329 -1.537 1.00 1.00 H new ATOM 916 N PRO A 62 7.676 4.292 0.910 1.00 1.00 N ATOM 917 CA PRO A 62 8.011 4.358 2.316 1.00 1.00 C ATOM 918 C PRO A 62 8.378 2.969 2.819 1.00 1.00 C ATOM 919 O PRO A 62 7.649 2.021 2.530 1.00 1.00 O ATOM 920 CB PRO A 62 6.743 4.869 2.997 1.00 1.00 C ATOM 921 CG PRO A 62 5.634 4.182 2.086 1.00 1.00 C ATOM 922 CD PRO A 62 6.247 4.391 0.703 1.00 1.00 C ATOM 0 HA PRO A 62 8.864 5.006 2.519 1.00 1.00 H new ATOM 0 HB2 PRO A 62 6.676 4.557 4.039 1.00 1.00 H new ATOM 0 HB3 PRO A 62 6.675 5.957 2.985 1.00 1.00 H new ATOM 0 HG2 PRO A 62 5.496 3.127 2.324 1.00 1.00 H new ATOM 0 HG3 PRO A 62 4.660 4.661 2.185 1.00 1.00 H new ATOM 0 HD2 PRO A 62 5.897 3.637 -0.002 1.00 1.00 H new ATOM 0 HD3 PRO A 62 5.974 5.363 0.293 1.00 1.00 H new ATOM 930 N THR A 63 9.481 2.873 3.547 1.00 1.00 N ATOM 931 CA THR A 63 9.920 1.592 4.074 1.00 1.00 C ATOM 932 C THR A 63 10.289 1.722 5.553 1.00 1.00 C ATOM 933 O THR A 63 11.066 0.924 6.075 1.00 1.00 O ATOM 934 CB THR A 63 11.075 1.094 3.202 1.00 1.00 C ATOM 935 OG1 THR A 63 11.724 2.286 2.769 1.00 1.00 O ATOM 936 CG2 THR A 63 10.590 0.442 1.905 1.00 1.00 C ATOM 0 H THR A 63 10.084 3.661 3.784 1.00 1.00 H new ATOM 0 HA THR A 63 9.120 0.853 4.034 1.00 1.00 H new ATOM 0 HB THR A 63 11.673 0.379 3.767 1.00 1.00 H new ATOM 0 HG1 THR A 63 12.487 2.055 2.199 1.00 1.00 H new ATOM 0 HG21 THR A 63 11.449 0.106 1.323 1.00 1.00 H new ATOM 0 HG22 THR A 63 9.956 -0.412 2.142 1.00 1.00 H new ATOM 0 HG23 THR A 63 10.020 1.167 1.324 1.00 1.00 H new ATOM 944 N LYS A 64 9.714 2.734 6.186 1.00 1.00 N ATOM 945 CA LYS A 64 9.972 2.979 7.595 1.00 1.00 C ATOM 946 C LYS A 64 8.641 3.157 8.329 1.00 1.00 C ATOM 947 O LYS A 64 7.645 3.556 7.728 1.00 1.00 O ATOM 948 CB LYS A 64 10.932 4.157 7.767 1.00 1.00 C ATOM 949 CG LYS A 64 12.195 3.731 8.519 1.00 1.00 C ATOM 950 CD LYS A 64 12.975 2.680 7.727 1.00 1.00 C ATOM 951 CE LYS A 64 14.346 2.425 8.358 1.00 1.00 C ATOM 952 NZ LYS A 64 14.780 1.032 8.109 1.00 1.00 N ATOM 0 H LYS A 64 9.070 3.394 5.749 1.00 1.00 H new ATOM 0 HA LYS A 64 10.473 2.122 8.046 1.00 1.00 H new ATOM 0 HB2 LYS A 64 11.204 4.555 6.789 1.00 1.00 H new ATOM 0 HB3 LYS A 64 10.434 4.960 8.311 1.00 1.00 H new ATOM 0 HG2 LYS A 64 12.827 4.601 8.697 1.00 1.00 H new ATOM 0 HG3 LYS A 64 11.923 3.329 9.495 1.00 1.00 H new ATOM 0 HD2 LYS A 64 12.408 1.750 7.693 1.00 1.00 H new ATOM 0 HD3 LYS A 64 13.101 3.015 6.697 1.00 1.00 H new ATOM 0 HE2 LYS A 64 15.078 3.119 7.945 1.00 1.00 H new ATOM 0 HE3 LYS A 64 14.299 2.611 9.431 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 15.712 0.876 8.544 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 14.090 0.374 8.524 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 14.844 0.866 7.084 1.00 1.00 H new ATOM 965 N CYS A 65 8.668 2.854 9.619 1.00 1.00 N ATOM 966 CA CYS A 65 7.477 2.976 10.441 1.00 1.00 C ATOM 967 C CYS A 65 7.005 4.430 10.390 1.00 1.00 C ATOM 968 O CYS A 65 5.805 4.696 10.329 1.00 1.00 O ATOM 969 CB CYS A 65 7.729 2.508 11.876 1.00 1.00 C ATOM 970 SG CYS A 65 8.846 1.066 12.028 1.00 1.00 S ATOM 0 H CYS A 65 9.496 2.524 10.115 1.00 1.00 H new ATOM 0 HA CYS A 65 6.694 2.327 10.049 1.00 1.00 H new ATOM 0 HB2 CYS A 65 8.149 3.337 12.445 1.00 1.00 H new ATOM 0 HB3 CYS A 65 6.772 2.259 12.335 1.00 1.00 H new ATOM 975 N GLY A 66 7.973 5.335 10.417 1.00 1.00 N ATOM 976 CA GLY A 66 7.671 6.755 10.375 1.00 1.00 C ATOM 977 C GLY A 66 7.595 7.257 8.932 1.00 1.00 C ATOM 978 O GLY A 66 7.642 8.461 8.686 1.00 1.00 O ATOM 0 H GLY A 66 8.967 5.112 10.467 1.00 1.00 H new ATOM 0 HA2 GLY A 66 6.724 6.944 10.880 1.00 1.00 H new ATOM 0 HA3 GLY A 66 8.437 7.310 10.917 1.00 1.00 H new ATOM 982 N GLU A 67 7.477 6.307 8.015 1.00 1.00 N ATOM 983 CA GLU A 67 7.394 6.638 6.602 1.00 1.00 C ATOM 984 C GLU A 67 6.045 6.196 6.032 1.00 1.00 C ATOM 985 O GLU A 67 5.767 6.403 4.852 1.00 1.00 O ATOM 986 CB GLU A 67 8.551 6.009 5.823 1.00 1.00 C ATOM 987 CG GLU A 67 9.500 7.083 5.288 1.00 1.00 C ATOM 988 CD GLU A 67 10.649 6.455 4.497 1.00 1.00 C ATOM 989 OE1 GLU A 67 10.483 5.373 3.915 1.00 1.00 O ATOM 990 OE2 GLU A 67 11.747 7.133 4.499 1.00 1.00 O ATOM 0 H GLU A 67 7.437 5.309 8.223 1.00 1.00 H new ATOM 0 HA GLU A 67 7.474 7.720 6.497 1.00 1.00 H new ATOM 0 HB2 GLU A 67 9.099 5.324 6.469 1.00 1.00 H new ATOM 0 HB3 GLU A 67 8.158 5.420 4.994 1.00 1.00 H new ATOM 0 HG2 GLU A 67 8.950 7.774 4.650 1.00 1.00 H new ATOM 0 HG3 GLU A 67 9.901 7.665 6.118 1.00 1.00 H new ATOM 998 N CYS A 68 5.241 5.594 6.898 1.00 1.00 N ATOM 999 CA CYS A 68 3.928 5.121 6.495 1.00 1.00 C ATOM 1000 C CYS A 68 2.909 5.591 7.535 1.00 1.00 C ATOM 1001 O CYS A 68 1.984 6.335 7.211 1.00 1.00 O ATOM 1002 CB CYS A 68 3.904 3.601 6.319 1.00 1.00 C ATOM 1003 SG CYS A 68 3.819 3.179 4.540 1.00 1.00 S ATOM 0 H CYS A 68 5.474 5.424 7.876 1.00 1.00 H new ATOM 0 HA CYS A 68 3.671 5.538 5.521 1.00 1.00 H new ATOM 0 HB2 CYS A 68 4.797 3.161 6.763 1.00 1.00 H new ATOM 0 HB3 CYS A 68 3.046 3.179 6.843 1.00 1.00 H new ATOM 1008 N HIS A 69 3.112 5.138 8.764 1.00 1.00 N ATOM 1009 CA HIS A 69 2.223 5.503 9.853 1.00 1.00 C ATOM 1010 C HIS A 69 2.463 6.962 10.244 1.00 1.00 C ATOM 1011 O HIS A 69 3.489 7.289 10.839 1.00 1.00 O ATOM 1012 CB HIS A 69 2.382 4.539 11.030 1.00 1.00 C ATOM 1013 CG HIS A 69 2.036 3.106 10.703 1.00 1.00 C ATOM 1014 ND1 HIS A 69 0.732 2.664 10.557 1.00 1.00 N ATOM 1015 CD2 HIS A 69 2.836 2.022 10.493 1.00 1.00 C ATOM 1016 CE1 HIS A 69 0.758 1.370 10.274 1.00 1.00 C ATOM 1017 NE2 HIS A 69 2.063 0.974 10.235 1.00 1.00 N ATOM 0 H HIS A 69 3.880 4.521 9.029 1.00 1.00 H new ATOM 0 HA HIS A 69 1.187 5.417 9.526 1.00 1.00 H new ATOM 0 HB2 HIS A 69 3.412 4.581 11.384 1.00 1.00 H new ATOM 0 HB3 HIS A 69 1.749 4.876 11.851 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -0.106 3.237 10.651 1.00 1.00 H new ATOM 0 HD2 HIS A 69 3.915 2.017 10.530 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -0.102 0.740 10.104 1.00 1.00 H new ATOM 1025 N LYS A 70 1.498 7.801 9.895 1.00 1.00 N ATOM 1026 CA LYS A 70 1.592 9.218 10.203 1.00 1.00 C ATOM 1027 C LYS A 70 0.230 9.722 10.684 1.00 1.00 C ATOM 1028 O LYS A 70 -0.707 9.837 9.895 1.00 1.00 O ATOM 1029 CB LYS A 70 2.146 9.991 9.004 1.00 1.00 C ATOM 1030 CG LYS A 70 3.592 9.587 8.712 1.00 1.00 C ATOM 1031 CD LYS A 70 4.524 10.032 9.840 1.00 1.00 C ATOM 1032 CE LYS A 70 5.514 11.091 9.349 1.00 1.00 C ATOM 1033 NZ LYS A 70 5.852 12.030 10.441 1.00 1.00 N ATOM 0 H LYS A 70 0.648 7.527 9.402 1.00 1.00 H new ATOM 0 HA LYS A 70 2.299 9.386 11.015 1.00 1.00 H new ATOM 0 HB2 LYS A 70 1.527 9.801 8.127 1.00 1.00 H new ATOM 0 HB3 LYS A 70 2.097 11.062 9.203 1.00 1.00 H new ATOM 0 HG2 LYS A 70 3.654 8.506 8.590 1.00 1.00 H new ATOM 0 HG3 LYS A 70 3.915 10.033 7.771 1.00 1.00 H new ATOM 0 HD2 LYS A 70 3.936 10.434 10.665 1.00 1.00 H new ATOM 0 HD3 LYS A 70 5.069 9.171 10.227 1.00 1.00 H new ATOM 0 HE2 LYS A 70 6.420 10.608 8.983 1.00 1.00 H new ATOM 0 HE3 LYS A 70 5.084 11.639 8.511 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 6.525 12.742 10.091 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 4.987 12.504 10.772 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 6.282 11.505 11.229 1.00 1.00 H new ATOM 1046 N LYS A 71 0.163 10.010 11.975 1.00 1.00 N ATOM 1047 CA LYS A 71 -1.069 10.499 12.571 1.00 1.00 C ATOM 1048 C LYS A 71 -1.579 11.696 11.766 1.00 1.00 C ATOM 1049 O LYS A 71 -0.789 12.442 11.188 1.00 1.00 O ATOM 1050 CB LYS A 71 -0.863 10.799 14.057 1.00 1.00 C ATOM 1051 CG LYS A 71 -2.191 10.748 14.815 1.00 1.00 C ATOM 1052 CD LYS A 71 -2.401 12.019 15.640 1.00 1.00 C ATOM 1053 CE LYS A 71 -2.822 11.681 17.071 1.00 1.00 C ATOM 1054 NZ LYS A 71 -3.310 12.892 17.768 1.00 1.00 N ATOM 0 H LYS A 71 0.942 9.914 12.626 1.00 1.00 H new ATOM 0 HA LYS A 71 -1.843 9.733 12.529 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -0.168 10.077 14.485 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -0.411 11.784 14.174 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -3.013 10.629 14.109 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -2.206 9.878 15.471 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -1.480 12.602 15.656 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -3.164 12.640 15.170 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -3.605 10.922 17.056 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -1.977 11.257 17.614 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -3.592 12.644 18.738 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -2.553 13.604 17.798 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -4.129 13.280 17.258 1.00 1.00 H new TER 1067 LYS A 71 HETATM 1068 CHA HEM A 101 -8.992 -0.920 -3.918 1.00 1.00 C HETATM 1069 CHB HEM A 101 -9.192 -0.244 -8.737 1.00 1.00 C HETATM 1070 CHC HEM A 101 -4.337 0.113 -8.898 1.00 1.00 C HETATM 1071 CHD HEM A 101 -4.127 -1.043 -4.111 1.00 1.00 C HETATM 1072 C1A HEM A 101 -9.455 -0.790 -5.223 1.00 1.00 C HETATM 1073 C2A HEM A 101 -10.841 -0.916 -5.609 1.00 1.00 C HETATM 1074 C3A HEM A 101 -10.900 -0.729 -6.944 1.00 1.00 C HETATM 1075 C4A HEM A 101 -9.551 -0.486 -7.399 1.00 1.00 C HETATM 1076 CMA HEM A 101 -12.112 -0.760 -7.829 1.00 1.00 C HETATM 1077 CAA HEM A 101 -11.973 -1.202 -4.665 1.00 1.00 C HETATM 1078 CBA HEM A 101 -12.585 0.045 -4.033 1.00 1.00 C HETATM 1079 CGA HEM A 101 -14.072 -0.147 -3.772 1.00 1.00 C HETATM 1080 O1A HEM A 101 -14.391 -0.949 -2.868 1.00 1.00 O HETATM 1081 O2A HEM A 101 -14.862 0.512 -4.482 1.00 1.00 O HETATM 1082 C1B HEM A 101 -7.889 -0.048 -9.181 1.00 1.00 C HETATM 1083 C2B HEM A 101 -7.537 0.312 -10.535 1.00 1.00 C HETATM 1084 C3B HEM A 101 -6.192 0.412 -10.582 1.00 1.00 C HETATM 1085 C4B HEM A 101 -5.697 0.115 -9.259 1.00 1.00 C HETATM 1086 CMB HEM A 101 -8.520 0.525 -11.649 1.00 1.00 C HETATM 1087 CAB HEM A 101 -5.333 0.762 -11.762 1.00 1.00 C HETATM 1088 CBB HEM A 101 -5.899 1.880 -12.632 1.00 1.00 C HETATM 1089 C1C HEM A 101 -3.830 -0.250 -7.575 1.00 1.00 C HETATM 1090 C2C HEM A 101 -2.437 -0.403 -7.224 1.00 1.00 C HETATM 1091 C3C HEM A 101 -2.390 -0.712 -5.911 1.00 1.00 C HETATM 1092 C4C HEM A 101 -3.753 -0.753 -5.435 1.00 1.00 C HETATM 1093 CMC HEM A 101 -1.289 -0.239 -8.177 1.00 1.00 C HETATM 1094 CAC HEM A 101 -1.177 -0.971 -5.066 1.00 1.00 C HETATM 1095 CBC HEM A 101 0.084 -0.268 -5.558 1.00 1.00 C HETATM 1096 C1D HEM A 101 -5.439 -1.084 -3.652 1.00 1.00 C HETATM 1097 C2D HEM A 101 -5.812 -1.322 -2.278 1.00 1.00 C HETATM 1098 C3D HEM A 101 -7.161 -1.289 -2.221 1.00 1.00 C HETATM 1099 C4D HEM A 101 -7.636 -1.029 -3.560 1.00 1.00 C HETATM 1100 CMD HEM A 101 -4.846 -1.559 -1.155 1.00 1.00 C HETATM 1101 CAD HEM A 101 -8.040 -1.480 -1.020 1.00 1.00 C HETATM 1102 CBD HEM A 101 -7.686 -2.703 -0.180 1.00 1.00 C HETATM 1103 CGD HEM A 101 -7.076 -2.295 1.153 1.00 1.00 C HETATM 1104 O1D HEM A 101 -7.694 -1.437 1.821 1.00 1.00 O HETATM 1105 O2D HEM A 101 -6.004 -2.848 1.480 1.00 1.00 O HETATM 1106 NA HEM A 101 -8.670 -0.526 -6.332 1.00 1.00 N HETATM 1107 NB HEM A 101 -6.749 -0.167 -8.405 1.00 1.00 N HETATM 1108 NC HEM A 101 -4.630 -0.467 -6.467 1.00 1.00 N HETATM 1109 ND HEM A 101 -6.569 -0.905 -4.432 1.00 1.00 N HETATM 1110 FE HEM A 101 -6.484 -0.540 -6.479 1.00 1.00 FE HETATM 0 HMA1 HEM A 101 -11.960 -0.094 -8.678 1.00 1.00 H new HETATM 0 HMA2 HEM A 101 -12.984 -0.433 -7.263 1.00 1.00 H new HETATM 0 HMA3 HEM A 101 -12.273 -1.776 -8.189 1.00 1.00 H new HETATM 0 HMB1 HEM A 101 -9.396 -0.103 -11.486 1.00 1.00 H new HETATM 0 HMB2 HEM A 101 -8.056 0.261 -12.599 1.00 1.00 H new HETATM 0 HMB3 HEM A 101 -8.823 1.572 -11.671 1.00 1.00 H new HETATM 0 HMC1 HEM A 101 -1.608 -0.516 -9.182 1.00 1.00 H new HETATM 0 HMC2 HEM A 101 -0.465 -0.882 -7.868 1.00 1.00 H new HETATM 0 HMC3 HEM A 101 -0.960 0.800 -8.175 1.00 1.00 H new HETATM 0 HMD1 HEM A 101 -5.275 -1.192 -0.223 1.00 1.00 H new HETATM 0 HMD2 HEM A 101 -3.915 -1.030 -1.359 1.00 1.00 H new HETATM 0 HMD3 HEM A 101 -4.645 -2.627 -1.067 1.00 1.00 H new HETATM 0 HBB1 HEM A 101 -5.354 2.212 -13.515 1.00 1.00 H new HETATM 0 HBB2 HEM A 101 -6.849 2.347 -12.370 1.00 1.00 H new HETATM 0 HBC1 HEM A 101 1.022 -0.389 -5.016 1.00 1.00 H new HETATM 0 HBC2 HEM A 101 0.047 0.355 -6.451 1.00 1.00 H new HETATM 0 HBA1 HEM A 101 -12.436 0.901 -4.691 1.00 1.00 H new HETATM 0 HBA2 HEM A 101 -12.074 0.270 -3.097 1.00 1.00 H new HETATM 0 HAA1 HEM A 101 -11.615 -1.860 -3.873 1.00 1.00 H new HETATM 0 HAA2 HEM A 101 -12.752 -1.744 -5.202 1.00 1.00 H new HETATM 0 HBD1 HEM A 101 -6.984 -3.333 -0.727 1.00 1.00 H new HETATM 0 HBD2 HEM A 101 -8.581 -3.300 -0.006 1.00 1.00 H new HETATM 0 HAD1 HEM A 101 -9.075 -1.566 -1.350 1.00 1.00 H new HETATM 0 HAD2 HEM A 101 -7.978 -0.591 -0.392 1.00 1.00 H new HETATM 0 HHA HEM A 101 -9.724 -0.939 -3.124 1.00 1.00 H new HETATM 0 HHB HEM A 101 -9.984 -0.208 -9.471 1.00 1.00 H new HETATM 0 HHC HEM A 101 -3.617 0.400 -9.650 1.00 1.00 H new HETATM 0 HHD HEM A 101 -3.340 -1.248 -3.401 1.00 1.00 H new HETATM 0 HAB HEM A 101 -4.389 0.262 -11.978 1.00 1.00 H new HETATM 0 HAC HEM A 101 -1.196 -1.605 -4.180 1.00 1.00 H new HETATM 1111 CHA HEM A 102 5.248 5.543 -2.602 1.00 1.00 C HETATM 1112 CHB HEM A 102 2.039 3.633 0.523 1.00 1.00 C HETATM 1113 CHC HEM A 102 1.846 -0.439 -2.142 1.00 1.00 C HETATM 1114 CHD HEM A 102 5.260 1.408 -5.176 1.00 1.00 C HETATM 1115 C1A HEM A 102 4.351 5.383 -1.552 1.00 1.00 C HETATM 1116 C2A HEM A 102 4.000 6.427 -0.618 1.00 1.00 C HETATM 1117 C3A HEM A 102 3.111 5.901 0.250 1.00 1.00 C HETATM 1118 C4A HEM A 102 2.902 4.526 -0.138 1.00 1.00 C HETATM 1119 CMA HEM A 102 2.441 6.577 1.411 1.00 1.00 C HETATM 1120 CAA HEM A 102 4.549 7.824 -0.646 1.00 1.00 C HETATM 1121 CBA HEM A 102 4.625 8.433 -2.043 1.00 1.00 C HETATM 1122 CGA HEM A 102 3.792 9.704 -2.132 1.00 1.00 C HETATM 1123 O1A HEM A 102 4.353 10.719 -2.599 1.00 1.00 O HETATM 1124 O2A HEM A 102 2.609 9.637 -1.733 1.00 1.00 O HETATM 1125 C1B HEM A 102 1.709 2.364 0.058 1.00 1.00 C HETATM 1126 C2B HEM A 102 0.763 1.483 0.702 1.00 1.00 C HETATM 1127 C3B HEM A 102 0.707 0.354 -0.035 1.00 1.00 C HETATM 1128 C4B HEM A 102 1.618 0.524 -1.142 1.00 1.00 C HETATM 1129 CMB HEM A 102 0.006 1.807 1.957 1.00 1.00 C HETATM 1130 CAB HEM A 102 -0.126 -0.870 0.212 1.00 1.00 C HETATM 1131 CBB HEM A 102 -1.532 -0.570 0.725 1.00 1.00 C HETATM 1132 C1C HEM A 102 2.791 -0.312 -3.262 1.00 1.00 C HETATM 1133 C2C HEM A 102 3.149 -1.342 -4.208 1.00 1.00 C HETATM 1134 C3C HEM A 102 4.098 -0.826 -5.018 1.00 1.00 C HETATM 1135 C4C HEM A 102 4.336 0.530 -4.582 1.00 1.00 C HETATM 1136 CMC HEM A 102 2.552 -2.719 -4.245 1.00 1.00 C HETATM 1137 CAC HEM A 102 4.798 -1.495 -6.164 1.00 1.00 C HETATM 1138 CBC HEM A 102 4.067 -2.718 -6.710 1.00 1.00 C HETATM 1139 C1D HEM A 102 5.470 2.723 -4.774 1.00 1.00 C HETATM 1140 C2D HEM A 102 6.183 3.707 -5.554 1.00 1.00 C HETATM 1141 C3D HEM A 102 6.181 4.854 -4.844 1.00 1.00 C HETATM 1142 C4D HEM A 102 5.468 4.593 -3.616 1.00 1.00 C HETATM 1143 CMD HEM A 102 6.795 3.455 -6.901 1.00 1.00 C HETATM 1144 CAD HEM A 102 6.792 6.174 -5.218 1.00 1.00 C HETATM 1145 CBD HEM A 102 6.404 6.665 -6.609 1.00 1.00 C HETATM 1146 CGD HEM A 102 7.418 6.215 -7.651 1.00 1.00 C HETATM 1147 O1D HEM A 102 8.621 6.460 -7.415 1.00 1.00 O HETATM 1148 O2D HEM A 102 6.971 5.635 -8.664 1.00 1.00 O HETATM 1149 NA HEM A 102 3.670 4.218 -1.247 1.00 1.00 N HETATM 1150 NB HEM A 102 2.229 1.764 -1.076 1.00 1.00 N HETATM 1151 NC HEM A 102 3.527 0.836 -3.501 1.00 1.00 N HETATM 1152 ND HEM A 102 5.034 3.279 -3.583 1.00 1.00 N HETATM 1153 FE HEM A 102 3.722 2.472 -2.436 1.00 1.00 FE HETATM 0 HMA1 HEM A 102 3.098 7.349 1.811 1.00 1.00 H new HETATM 0 HMA2 HEM A 102 2.230 5.842 2.188 1.00 1.00 H new HETATM 0 HMA3 HEM A 102 1.508 7.031 1.078 1.00 1.00 H new HETATM 0 HMB1 HEM A 102 -0.955 1.292 1.945 1.00 1.00 H new HETATM 0 HMB2 HEM A 102 -0.159 2.883 2.015 1.00 1.00 H new HETATM 0 HMB3 HEM A 102 0.582 1.481 2.823 1.00 1.00 H new HETATM 0 HMC1 HEM A 102 2.558 -3.091 -5.270 1.00 1.00 H new HETATM 0 HMC2 HEM A 102 1.526 -2.681 -3.879 1.00 1.00 H new HETATM 0 HMC3 HEM A 102 3.138 -3.387 -3.614 1.00 1.00 H new HETATM 0 HMD1 HEM A 102 7.100 2.411 -6.972 1.00 1.00 H new HETATM 0 HMD2 HEM A 102 7.666 4.097 -7.031 1.00 1.00 H new HETATM 0 HMD3 HEM A 102 6.064 3.673 -7.679 1.00 1.00 H new HETATM 0 HBB1 HEM A 102 -2.221 -1.388 0.937 1.00 1.00 H new HETATM 0 HBB2 HEM A 102 -1.847 0.462 0.879 1.00 1.00 H new HETATM 0 HBC1 HEM A 102 4.490 -3.278 -7.544 1.00 1.00 H new HETATM 0 HBC2 HEM A 102 3.122 -3.031 -6.266 1.00 1.00 H new HETATM 0 HBA1 HEM A 102 4.271 7.710 -2.778 1.00 1.00 H new HETATM 0 HBA2 HEM A 102 5.663 8.657 -2.290 1.00 1.00 H new HETATM 0 HAA1 HEM A 102 5.547 7.820 -0.208 1.00 1.00 H new HETATM 0 HAA2 HEM A 102 3.927 8.461 -0.017 1.00 1.00 H new HETATM 0 HBD1 HEM A 102 6.337 7.753 -6.608 1.00 1.00 H new HETATM 0 HBD2 HEM A 102 5.416 6.285 -6.870 1.00 1.00 H new HETATM 0 HAD1 HEM A 102 7.877 6.089 -5.163 1.00 1.00 H new HETATM 0 HAD2 HEM A 102 6.494 6.922 -4.483 1.00 1.00 H new HETATM 0 HHA HEM A 102 5.816 6.461 -2.642 1.00 1.00 H new HETATM 0 HHB HEM A 102 1.602 3.955 1.457 1.00 1.00 H new HETATM 0 HHC HEM A 102 1.276 -1.354 -2.082 1.00 1.00 H new HETATM 0 HHD HEM A 102 5.848 1.035 -6.002 1.00 1.00 H new HETATM 0 HAB HEM A 102 0.240 -1.882 0.040 1.00 1.00 H new HETATM 0 HAC HEM A 102 5.745 -1.139 -6.570 1.00 1.00 H new HETATM 1154 CHA HEM A 103 -0.615 -1.919 10.434 1.00 1.00 C HETATM 1155 CHB HEM A 103 3.442 -1.407 13.080 1.00 1.00 C HETATM 1156 CHC HEM A 103 5.870 0.070 9.124 1.00 1.00 C HETATM 1157 CHD HEM A 103 1.625 0.045 6.581 1.00 1.00 C HETATM 1158 C1A HEM A 103 0.283 -1.886 11.495 1.00 1.00 C HETATM 1159 C2A HEM A 103 -0.063 -2.200 12.862 1.00 1.00 C HETATM 1160 C3A HEM A 103 1.060 -2.059 13.598 1.00 1.00 C HETATM 1161 C4A HEM A 103 2.112 -1.656 12.695 1.00 1.00 C HETATM 1162 CMA HEM A 103 1.229 -2.269 15.075 1.00 1.00 C HETATM 1163 CAA HEM A 103 -1.430 -2.603 13.330 1.00 1.00 C HETATM 1164 CBA HEM A 103 -2.370 -1.428 13.587 1.00 1.00 C HETATM 1165 CGA HEM A 103 -2.986 -1.513 14.977 1.00 1.00 C HETATM 1166 O1A HEM A 103 -2.221 -1.813 15.919 1.00 1.00 O HETATM 1167 O2A HEM A 103 -4.209 -1.276 15.071 1.00 1.00 O HETATM 1168 C1B HEM A 103 4.460 -1.038 12.207 1.00 1.00 C HETATM 1169 C2B HEM A 103 5.862 -1.022 12.554 1.00 1.00 C HETATM 1170 C3B HEM A 103 6.537 -0.613 11.460 1.00 1.00 C HETATM 1171 C4B HEM A 103 5.561 -0.371 10.424 1.00 1.00 C HETATM 1172 CMB HEM A 103 6.418 -1.399 13.896 1.00 1.00 C HETATM 1173 CAB HEM A 103 8.019 -0.430 11.303 1.00 1.00 C HETATM 1174 CBB HEM A 103 8.839 -1.663 11.671 1.00 1.00 C HETATM 1175 C1C HEM A 103 4.892 0.201 8.003 1.00 1.00 C HETATM 1176 C2C HEM A 103 5.136 0.826 6.724 1.00 1.00 C HETATM 1177 C3C HEM A 103 3.963 0.839 6.058 1.00 1.00 C HETATM 1178 C4C HEM A 103 2.980 0.222 6.917 1.00 1.00 C HETATM 1179 CMC HEM A 103 6.466 1.350 6.265 1.00 1.00 C HETATM 1180 CAC HEM A 103 3.685 1.380 4.686 1.00 1.00 C HETATM 1181 CBC HEM A 103 4.624 0.847 3.607 1.00 1.00 C HETATM 1182 C1D HEM A 103 0.684 -0.571 7.399 1.00 1.00 C HETATM 1183 C2D HEM A 103 -0.616 -1.012 6.951 1.00 1.00 C HETATM 1184 C3D HEM A 103 -1.240 -1.557 8.016 1.00 1.00 C HETATM 1185 C4D HEM A 103 -0.332 -1.459 9.135 1.00 1.00 C HETATM 1186 CMD HEM A 103 -1.135 -0.869 5.549 1.00 1.00 C HETATM 1187 CAD HEM A 103 -2.613 -2.161 8.075 1.00 1.00 C HETATM 1188 CBD HEM A 103 -3.730 -1.201 7.675 1.00 1.00 C HETATM 1189 CGD HEM A 103 -4.654 -1.835 6.644 1.00 1.00 C HETATM 1190 O1D HEM A 103 -4.118 -2.519 5.746 1.00 1.00 O HETATM 1191 O2D HEM A 103 -5.879 -1.625 6.775 1.00 1.00 O HETATM 1192 NA HEM A 103 1.624 -1.554 11.404 1.00 1.00 N HETATM 1193 NB HEM A 103 4.286 -0.636 10.894 1.00 1.00 N HETATM 1194 NC HEM A 103 3.562 -0.166 8.111 1.00 1.00 N HETATM 1195 ND HEM A 103 0.848 -0.851 8.744 1.00 1.00 N HETATM 1196 FE HEM A 103 2.650 -0.701 9.768 1.00 1.00 FE HETATM 0 HMA1 HEM A 103 0.292 -2.043 15.584 1.00 1.00 H new HETATM 0 HMA2 HEM A 103 2.013 -1.611 15.449 1.00 1.00 H new HETATM 0 HMA3 HEM A 103 1.504 -3.306 15.266 1.00 1.00 H new HETATM 0 HMB1 HEM A 103 5.686 -1.170 14.670 1.00 1.00 H new HETATM 0 HMB2 HEM A 103 7.332 -0.835 14.083 1.00 1.00 H new HETATM 0 HMB3 HEM A 103 6.641 -2.466 13.911 1.00 1.00 H new HETATM 0 HMC1 HEM A 103 7.043 1.683 7.128 1.00 1.00 H new HETATM 0 HMC2 HEM A 103 6.312 2.189 5.586 1.00 1.00 H new HETATM 0 HMC3 HEM A 103 7.010 0.560 5.748 1.00 1.00 H new HETATM 0 HMD1 HEM A 103 -1.826 -1.684 5.332 1.00 1.00 H new HETATM 0 HMD2 HEM A 103 -0.302 -0.903 4.847 1.00 1.00 H new HETATM 0 HMD3 HEM A 103 -1.655 0.084 5.449 1.00 1.00 H new HETATM 0 HBB1 HEM A 103 9.926 -1.638 11.593 1.00 1.00 H new HETATM 0 HBB2 HEM A 103 8.338 -2.569 12.012 1.00 1.00 H new HETATM 0 HBC1 HEM A 103 4.510 1.176 2.574 1.00 1.00 H new HETATM 0 HBC2 HEM A 103 5.409 0.138 3.869 1.00 1.00 H new HETATM 0 HBA1 HEM A 103 -3.160 -1.419 12.836 1.00 1.00 H new HETATM 0 HBA2 HEM A 103 -1.822 -0.491 13.485 1.00 1.00 H new HETATM 0 HAA1 HEM A 103 -1.332 -3.184 14.247 1.00 1.00 H new HETATM 0 HAA2 HEM A 103 -1.880 -3.258 12.584 1.00 1.00 H new HETATM 0 HBD1 HEM A 103 -3.299 -0.286 7.268 1.00 1.00 H new HETATM 0 HBD2 HEM A 103 -4.304 -0.918 8.557 1.00 1.00 H new HETATM 0 HAD1 HEM A 103 -2.799 -2.517 9.088 1.00 1.00 H new HETATM 0 HAD2 HEM A 103 -2.644 -3.032 7.420 1.00 1.00 H new HETATM 0 HHA HEM A 103 -1.598 -2.326 10.620 1.00 1.00 H new HETATM 0 HHB HEM A 103 3.690 -1.509 14.126 1.00 1.00 H new HETATM 0 HHC HEM A 103 6.897 0.335 8.921 1.00 1.00 H new HETATM 0 HHD HEM A 103 1.293 0.413 5.621 1.00 1.00 H new HETATM 0 HAB HEM A 103 8.469 0.501 10.957 1.00 1.00 H new HETATM 0 HAC HEM A 103 2.884 2.090 4.479 1.00 1.00 H new