USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 561 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 9 HIS HE2 : A 9 HIS NE2 : A 238 HEMFE :(H bumps) USER MOD NoAdj-H: A 19 HIS HE2 : A 19 HIS NE2 : A 218 HEMFE :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 238 HEMFE :(H bumps) USER MOD NoAdj-H: A 49 HIS HE2 : A 49 HIS NE2 : A 261 HEMFE :(H bumps) USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 278 HEMFE :(H bumps) USER MOD NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 261 HEMFE :(H bumps) USER MOD NoAdj-H: A 65 HIS HE2 : A 65 HIS NE2 : A 218 HEMFE :(H bumps) USER MOD NoAdj-H: A 79 HIS HE2 : A 79 HIS NE2 : A 278 HEMFE :(H bumps) USER MOD Set 1.1: A 74 THR OG1 : rot 93:sc= 1.22 USER MOD Set 1.2: A 77 THR OG1 : rot 140:sc= 1.13! USER MOD Set 2.1: A 45 MET CE :methyl -105:sc= -6.54! (180deg=-2.49!) USER MOD Set 2.2: A 261 HEM CMB :methyl 150:sc= -3.41 (180deg=-1.44) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0029 USER MOD Single : A 12 MET CE :methyl -170:sc= -2.09 (180deg=-2.39!) USER MOD Single : A 17 ASN : amide:sc= -0.012 X(o=-0.012,f=-0.13) USER MOD Single : A 25 SER OG : rot -14:sc= -0.388 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 165:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.12 K(o=-1.1,f=-1.8!) USER MOD Single : A 36 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.00036) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.238 USER MOD Single : A 48 ASN : amide:sc= -0.456 K(o=-0.46,f=-4!) USER MOD Single : A 50 LYS NZ :NH3+ 153:sc= -0.423 (180deg=-1.08) USER MOD Single : A 57 MET CE :methyl -137:sc= -1.04 (180deg=-1.81) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 HEM CMA :methyl 150:sc= -7.33! (180deg=-7.33!) USER MOD Single : A 218 HEM CMB :methyl -30:sc= -0.0752 (180deg=-0.385) USER MOD Single : A 218 HEM CMC :methyl -30:sc= -5.99! (180deg=-7.51!) USER MOD Single : A 218 HEM CMD :methyl -30:sc= -8.8! (180deg=-9.69!) USER MOD Single : A 238 HEM CMA :methyl -30:sc= -7.55! (180deg=-10.1!) USER MOD Single : A 238 HEM CMB :methyl -30:sc= -1.42 (180deg=-5.15!) USER MOD Single : A 238 HEM CMC :methyl 150:sc= -5.67! (180deg=-5.67!) USER MOD Single : A 238 HEM CMD :methyl 150:sc= -0.338 (180deg=-0.338) USER MOD Single : A 261 HEM CMA :methyl -30:sc= -0.141 (180deg=-0.313) USER MOD Single : A 261 HEM CMC :methyl 150:sc= -10.3! (180deg=-10.3!) USER MOD Single : A 261 HEM CMD :methyl -30:sc= -0.427 (180deg=-2.07) USER MOD Single : A 278 HEM CMA :methyl 150:sc= -0.042 (180deg=-0.042) USER MOD Single : A 278 HEM CMB :methyl -30:sc= -0.205 (180deg=-0.922) USER MOD Single : A 278 HEM CMC :methyl 150:sc= -0.833 (180deg=-0.833) USER MOD Single : A 278 HEM CMD :methyl 150:sc= -5.5! (180deg=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.661 -13.713 3.259 1.00 0.00 N ATOM 2 CA ALA A 1 14.230 -13.479 3.169 1.00 0.00 C ATOM 3 C ALA A 1 13.807 -12.500 4.265 1.00 0.00 C ATOM 4 O ALA A 1 13.407 -12.914 5.352 1.00 0.00 O ATOM 5 CB ALA A 1 13.488 -14.814 3.262 1.00 0.00 C ATOM 0 H1 ALA A 1 15.951 -14.379 2.515 1.00 0.00 H new ATOM 0 H2 ALA A 1 16.168 -12.813 3.136 1.00 0.00 H new ATOM 0 H3 ALA A 1 15.889 -14.115 4.191 1.00 0.00 H new ATOM 0 HA ALA A 1 13.975 -13.029 2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 1 12.414 -14.639 3.195 1.00 0.00 H new ATOM 0 HB2 ALA A 1 13.802 -15.463 2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 1 13.718 -15.293 4.214 1.00 0.00 H new ATOM 11 N ASP A 2 13.910 -11.219 3.942 1.00 0.00 N ATOM 12 CA ASP A 2 13.543 -10.177 4.886 1.00 0.00 C ATOM 13 C ASP A 2 13.863 -8.809 4.279 1.00 0.00 C ATOM 14 O ASP A 2 14.982 -8.316 4.407 1.00 0.00 O ATOM 15 CB ASP A 2 14.333 -10.312 6.189 1.00 0.00 C ATOM 16 CG ASP A 2 13.503 -10.167 7.466 1.00 0.00 C ATOM 17 OD1 ASP A 2 13.262 -9.049 7.948 1.00 0.00 O ATOM 18 OD2 ASP A 2 13.091 -11.277 7.978 1.00 0.00 O ATOM 0 H ASP A 2 14.242 -10.879 3.040 1.00 0.00 H new ATOM 0 HA ASP A 2 12.478 -10.273 5.098 1.00 0.00 H new ATOM 0 HB2 ASP A 2 14.822 -11.286 6.200 1.00 0.00 H new ATOM 0 HB3 ASP A 2 15.121 -9.559 6.198 1.00 0.00 H new ATOM 24 N GLU A 3 12.859 -8.236 3.632 1.00 0.00 N ATOM 25 CA GLU A 3 13.019 -6.935 3.005 1.00 0.00 C ATOM 26 C GLU A 3 11.661 -6.247 2.855 1.00 0.00 C ATOM 27 O GLU A 3 10.765 -6.771 2.194 1.00 0.00 O ATOM 28 CB GLU A 3 13.722 -7.061 1.652 1.00 0.00 C ATOM 29 CG GLU A 3 12.953 -7.998 0.719 1.00 0.00 C ATOM 30 CD GLU A 3 13.770 -9.254 0.407 1.00 0.00 C ATOM 31 OE1 GLU A 3 14.940 -9.149 0.011 1.00 0.00 O ATOM 32 OE2 GLU A 3 13.148 -10.369 0.590 1.00 0.00 O ATOM 0 H GLU A 3 11.932 -8.649 3.528 1.00 0.00 H new ATOM 0 HA GLU A 3 13.647 -6.319 3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.811 -6.077 1.192 1.00 0.00 H new ATOM 0 HB3 GLU A 3 14.734 -7.438 1.798 1.00 0.00 H new ATOM 0 HG2 GLU A 3 12.007 -8.281 1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.712 -7.477 -0.208 1.00 0.00 H new ATOM 40 N THR A 4 11.550 -5.083 3.479 1.00 0.00 N ATOM 41 CA THR A 4 10.316 -4.319 3.423 1.00 0.00 C ATOM 42 C THR A 4 9.838 -4.182 1.976 1.00 0.00 C ATOM 43 O THR A 4 10.606 -4.404 1.041 1.00 0.00 O ATOM 44 CB THR A 4 10.562 -2.974 4.111 1.00 0.00 C ATOM 45 OG1 THR A 4 11.724 -2.461 3.466 1.00 0.00 O ATOM 46 CG2 THR A 4 10.986 -3.133 5.572 1.00 0.00 C ATOM 0 H THR A 4 12.295 -4.651 4.026 1.00 0.00 H new ATOM 0 HA THR A 4 9.511 -4.829 3.951 1.00 0.00 H new ATOM 0 HB THR A 4 9.657 -2.369 4.060 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.953 -1.589 3.850 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.148 -2.149 6.013 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.203 -3.654 6.123 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.910 -3.709 5.622 1.00 0.00 H new ATOM 54 N LEU A 5 8.572 -3.819 1.837 1.00 0.00 N ATOM 55 CA LEU A 5 7.982 -3.651 0.519 1.00 0.00 C ATOM 56 C LEU A 5 8.712 -2.529 -0.222 1.00 0.00 C ATOM 57 O LEU A 5 9.016 -2.658 -1.407 1.00 0.00 O ATOM 58 CB LEU A 5 6.472 -3.432 0.632 1.00 0.00 C ATOM 59 CG LEU A 5 5.629 -3.960 -0.531 1.00 0.00 C ATOM 60 CD1 LEU A 5 4.886 -5.237 -0.135 1.00 0.00 C ATOM 61 CD2 LEU A 5 4.677 -2.881 -1.052 1.00 0.00 C ATOM 0 H LEU A 5 7.938 -3.636 2.615 1.00 0.00 H new ATOM 0 HA LEU A 5 8.106 -4.558 -0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.124 -3.904 1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 5 6.286 -2.363 0.733 1.00 0.00 H new ATOM 0 HG LEU A 5 6.301 -4.220 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.295 -5.591 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.607 -6.004 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.226 -5.028 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.090 -3.282 -1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.009 -2.567 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.254 -2.024 -1.400 1.00 0.00 H new ATOM 73 N ALA A 6 8.972 -1.453 0.507 1.00 0.00 N ATOM 74 CA ALA A 6 9.660 -0.309 -0.067 1.00 0.00 C ATOM 75 C ALA A 6 10.986 -0.770 -0.676 1.00 0.00 C ATOM 76 O ALA A 6 11.352 -0.343 -1.770 1.00 0.00 O ATOM 77 CB ALA A 6 9.854 0.762 1.008 1.00 0.00 C ATOM 0 H ALA A 6 8.719 -1.350 1.490 1.00 0.00 H new ATOM 0 HA ALA A 6 9.066 0.135 -0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.370 1.620 0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.882 1.076 1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.448 0.354 1.825 1.00 0.00 H new ATOM 83 N GLU A 7 11.669 -1.635 0.059 1.00 0.00 N ATOM 84 CA GLU A 7 12.946 -2.159 -0.395 1.00 0.00 C ATOM 85 C GLU A 7 12.765 -2.945 -1.695 1.00 0.00 C ATOM 86 O GLU A 7 13.404 -2.642 -2.702 1.00 0.00 O ATOM 87 CB GLU A 7 13.598 -3.025 0.684 1.00 0.00 C ATOM 88 CG GLU A 7 14.391 -2.167 1.671 1.00 0.00 C ATOM 89 CD GLU A 7 15.708 -1.695 1.053 1.00 0.00 C ATOM 90 OE1 GLU A 7 16.369 -2.464 0.339 1.00 0.00 O ATOM 91 OE2 GLU A 7 16.039 -0.480 1.336 1.00 0.00 O ATOM 0 H GLU A 7 11.362 -1.986 0.966 1.00 0.00 H new ATOM 0 HA GLU A 7 13.612 -1.319 -0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.831 -3.585 1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 7 14.260 -3.755 0.218 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.795 -1.304 1.969 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.595 -2.741 2.575 1.00 0.00 H new ATOM 99 N PHE A 8 11.892 -3.940 -1.631 1.00 0.00 N ATOM 100 CA PHE A 8 11.619 -4.772 -2.791 1.00 0.00 C ATOM 101 C PHE A 8 11.401 -3.916 -4.041 1.00 0.00 C ATOM 102 O PHE A 8 11.817 -4.293 -5.135 1.00 0.00 O ATOM 103 CB PHE A 8 10.338 -5.551 -2.491 1.00 0.00 C ATOM 104 CG PHE A 8 9.820 -6.376 -3.671 1.00 0.00 C ATOM 105 CD1 PHE A 8 10.440 -7.537 -4.013 1.00 0.00 C ATOM 106 CD2 PHE A 8 8.740 -5.948 -4.378 1.00 0.00 C ATOM 107 CE1 PHE A 8 9.960 -8.303 -5.108 1.00 0.00 C ATOM 108 CE2 PHE A 8 8.259 -6.714 -5.473 1.00 0.00 C ATOM 109 CZ PHE A 8 8.880 -7.875 -5.815 1.00 0.00 C ATOM 0 H PHE A 8 11.365 -4.189 -0.794 1.00 0.00 H new ATOM 0 HA PHE A 8 12.463 -5.435 -2.980 1.00 0.00 H new ATOM 0 HB2 PHE A 8 10.519 -6.217 -1.647 1.00 0.00 H new ATOM 0 HB3 PHE A 8 9.562 -4.850 -2.183 1.00 0.00 H new ATOM 0 HD1 PHE A 8 11.298 -7.877 -3.452 1.00 0.00 H new ATOM 0 HD2 PHE A 8 8.248 -5.026 -4.107 1.00 0.00 H new ATOM 0 HE1 PHE A 8 10.452 -9.225 -5.379 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.401 -6.375 -6.034 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.515 -8.457 -6.648 1.00 0.00 H new ATOM 119 N HIS A 9 10.749 -2.781 -3.835 1.00 0.00 N ATOM 120 CA HIS A 9 10.471 -1.869 -4.932 1.00 0.00 C ATOM 121 C HIS A 9 11.752 -1.130 -5.322 1.00 0.00 C ATOM 122 O HIS A 9 11.990 -0.872 -6.501 1.00 0.00 O ATOM 123 CB HIS A 9 9.325 -0.922 -4.572 1.00 0.00 C ATOM 124 CG HIS A 9 7.951 -1.510 -4.788 1.00 0.00 C ATOM 125 ND1 HIS A 9 7.302 -2.270 -3.830 1.00 0.00 N ATOM 126 CD2 HIS A 9 7.109 -1.440 -5.859 1.00 0.00 C ATOM 127 CE1 HIS A 9 6.125 -2.638 -4.315 1.00 0.00 C ATOM 128 NE2 HIS A 9 6.008 -2.123 -5.573 1.00 0.00 N ATOM 0 H HIS A 9 10.405 -2.472 -2.926 1.00 0.00 H new ATOM 0 HA HIS A 9 10.139 -2.432 -5.804 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.424 -0.630 -3.527 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.418 -0.013 -5.167 1.00 0.00 H new ATOM 0 HD1 HIS A 9 7.668 -2.506 -2.908 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.305 -0.917 -6.783 1.00 0.00 H new ATOM 0 HE1 HIS A 9 5.388 -3.240 -3.804 1.00 0.00 H new ATOM 136 N VAL A 10 12.543 -0.808 -4.309 1.00 0.00 N ATOM 137 CA VAL A 10 13.794 -0.103 -4.531 1.00 0.00 C ATOM 138 C VAL A 10 14.670 -0.916 -5.487 1.00 0.00 C ATOM 139 O VAL A 10 15.119 -0.403 -6.511 1.00 0.00 O ATOM 140 CB VAL A 10 14.477 0.186 -3.193 1.00 0.00 C ATOM 141 CG1 VAL A 10 15.985 0.368 -3.375 1.00 0.00 C ATOM 142 CG2 VAL A 10 13.855 1.407 -2.512 1.00 0.00 C ATOM 0 H VAL A 10 12.342 -1.022 -3.332 1.00 0.00 H new ATOM 0 HA VAL A 10 13.610 0.863 -5.001 1.00 0.00 H new ATOM 0 HB VAL A 10 14.320 -0.675 -2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 10 16.446 0.572 -2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.413 -0.542 -3.796 1.00 0.00 H new ATOM 0 HG13 VAL A 10 16.172 1.203 -4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.359 1.590 -1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.966 2.279 -3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.796 1.223 -2.331 1.00 0.00 H new ATOM 152 N GLU A 11 14.887 -2.170 -5.118 1.00 0.00 N ATOM 153 CA GLU A 11 15.701 -3.058 -5.929 1.00 0.00 C ATOM 154 C GLU A 11 15.187 -3.081 -7.370 1.00 0.00 C ATOM 155 O GLU A 11 15.911 -3.472 -8.285 1.00 0.00 O ATOM 156 CB GLU A 11 15.732 -4.468 -5.336 1.00 0.00 C ATOM 157 CG GLU A 11 16.539 -5.419 -6.223 1.00 0.00 C ATOM 158 CD GLU A 11 16.784 -6.753 -5.515 1.00 0.00 C ATOM 159 OE1 GLU A 11 15.854 -7.561 -5.377 1.00 0.00 O ATOM 160 OE2 GLU A 11 17.992 -6.938 -5.103 1.00 0.00 O ATOM 0 H GLU A 11 14.513 -2.592 -4.268 1.00 0.00 H new ATOM 0 HA GLU A 11 16.723 -2.679 -5.934 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.169 -4.437 -4.338 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.714 -4.843 -5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.005 -5.592 -7.157 1.00 0.00 H new ATOM 0 HG3 GLU A 11 17.493 -4.960 -6.481 1.00 0.00 H new ATOM 168 N MET A 12 13.942 -2.656 -7.528 1.00 0.00 N ATOM 169 CA MET A 12 13.324 -2.622 -8.842 1.00 0.00 C ATOM 170 C MET A 12 13.210 -1.186 -9.358 1.00 0.00 C ATOM 171 O MET A 12 12.387 -0.898 -10.225 1.00 0.00 O ATOM 172 CB MET A 12 11.930 -3.249 -8.767 1.00 0.00 C ATOM 173 CG MET A 12 11.927 -4.654 -9.371 1.00 0.00 C ATOM 174 SD MET A 12 10.263 -5.300 -9.408 1.00 0.00 S ATOM 175 CE MET A 12 9.713 -4.832 -7.775 1.00 0.00 C ATOM 0 H MET A 12 13.345 -2.332 -6.767 1.00 0.00 H new ATOM 0 HA MET A 12 13.951 -3.187 -9.532 1.00 0.00 H new ATOM 0 HB2 MET A 12 11.604 -3.295 -7.728 1.00 0.00 H new ATOM 0 HB3 MET A 12 11.215 -2.620 -9.298 1.00 0.00 H new ATOM 0 HG2 MET A 12 12.337 -4.626 -10.380 1.00 0.00 H new ATOM 0 HG3 MET A 12 12.568 -5.312 -8.785 1.00 0.00 H new ATOM 0 HE1 MET A 12 8.757 -5.311 -7.562 1.00 0.00 H new ATOM 0 HE2 MET A 12 10.450 -5.150 -7.038 1.00 0.00 H new ATOM 0 HE3 MET A 12 9.595 -3.749 -7.727 1.00 0.00 H new ATOM 185 N GLY A 13 14.050 -0.324 -8.804 1.00 0.00 N ATOM 186 CA GLY A 13 14.055 1.074 -9.198 1.00 0.00 C ATOM 187 C GLY A 13 14.953 1.901 -8.275 1.00 0.00 C ATOM 188 O GLY A 13 16.086 2.222 -8.630 1.00 0.00 O ATOM 0 H GLY A 13 14.732 -0.567 -8.085 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.404 1.164 -10.227 1.00 0.00 H new ATOM 0 HA3 GLY A 13 13.039 1.467 -9.170 1.00 0.00 H new ATOM 192 N GLY A 14 14.414 2.220 -7.108 1.00 0.00 N ATOM 193 CA GLY A 14 15.152 3.003 -6.132 1.00 0.00 C ATOM 194 C GLY A 14 14.202 3.687 -5.146 1.00 0.00 C ATOM 195 O GLY A 14 13.015 3.368 -5.100 1.00 0.00 O ATOM 0 H GLY A 14 13.475 1.950 -6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.842 2.357 -5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.754 3.754 -6.643 1.00 0.00 H new ATOM 199 N CYS A 15 14.761 4.614 -4.382 1.00 0.00 N ATOM 200 CA CYS A 15 13.979 5.345 -3.400 1.00 0.00 C ATOM 201 C CYS A 15 13.075 6.331 -4.143 1.00 0.00 C ATOM 202 O CYS A 15 12.100 6.830 -3.582 1.00 0.00 O ATOM 203 CB CYS A 15 14.871 6.050 -2.377 1.00 0.00 C ATOM 204 SG CYS A 15 15.863 4.930 -1.323 1.00 0.00 S ATOM 0 H CYS A 15 15.746 4.875 -4.423 1.00 0.00 H new ATOM 0 HA CYS A 15 13.365 4.648 -2.830 1.00 0.00 H new ATOM 0 HB2 CYS A 15 15.547 6.721 -2.907 1.00 0.00 H new ATOM 0 HB3 CYS A 15 14.245 6.670 -1.735 1.00 0.00 H new ATOM 209 N GLU A 16 13.430 6.582 -5.395 1.00 0.00 N ATOM 210 CA GLU A 16 12.663 7.499 -6.221 1.00 0.00 C ATOM 211 C GLU A 16 11.472 6.775 -6.852 1.00 0.00 C ATOM 212 O GLU A 16 10.835 7.299 -7.765 1.00 0.00 O ATOM 213 CB GLU A 16 13.546 8.141 -7.293 1.00 0.00 C ATOM 214 CG GLU A 16 14.637 9.005 -6.659 1.00 0.00 C ATOM 215 CD GLU A 16 15.798 8.143 -6.158 1.00 0.00 C ATOM 216 OE1 GLU A 16 16.457 7.465 -6.959 1.00 0.00 O ATOM 217 OE2 GLU A 16 16.005 8.194 -4.885 1.00 0.00 O ATOM 0 H GLU A 16 14.239 6.166 -5.857 1.00 0.00 H new ATOM 0 HA GLU A 16 12.282 8.298 -5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 16 14.003 7.364 -7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.933 8.751 -7.956 1.00 0.00 H new ATOM 0 HG2 GLU A 16 15.004 9.727 -7.389 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.218 9.575 -5.830 1.00 0.00 H new ATOM 225 N ASN A 17 11.207 5.582 -6.341 1.00 0.00 N ATOM 226 CA ASN A 17 10.104 4.781 -6.844 1.00 0.00 C ATOM 227 C ASN A 17 8.782 5.376 -6.353 1.00 0.00 C ATOM 228 O ASN A 17 7.741 5.186 -6.980 1.00 0.00 O ATOM 229 CB ASN A 17 10.192 3.341 -6.335 1.00 0.00 C ATOM 230 CG ASN A 17 9.487 2.377 -7.291 1.00 0.00 C ATOM 231 OD1 ASN A 17 10.097 1.530 -7.922 1.00 0.00 O ATOM 232 ND2 ASN A 17 8.170 2.552 -7.362 1.00 0.00 N ATOM 0 H ASN A 17 11.737 5.151 -5.584 1.00 0.00 H new ATOM 0 HA ASN A 17 10.155 4.782 -7.933 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.238 3.053 -6.228 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.740 3.273 -5.346 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.609 1.958 -7.972 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.722 3.280 -6.806 1.00 0.00 H new ATOM 239 N CYS A 18 8.867 6.083 -5.236 1.00 0.00 N ATOM 240 CA CYS A 18 7.691 6.707 -4.654 1.00 0.00 C ATOM 241 C CYS A 18 8.125 8.000 -3.962 1.00 0.00 C ATOM 242 O CYS A 18 7.468 8.461 -3.031 1.00 0.00 O ATOM 243 CB CYS A 18 6.966 5.761 -3.694 1.00 0.00 C ATOM 244 SG CYS A 18 7.097 4.038 -4.294 1.00 0.00 S ATOM 0 H CYS A 18 9.732 6.238 -4.718 1.00 0.00 H new ATOM 0 HA CYS A 18 6.974 6.941 -5.441 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.398 5.841 -2.696 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.917 6.047 -3.611 1.00 0.00 H new ATOM 249 N HIS A 19 9.231 8.548 -4.444 1.00 0.00 N ATOM 250 CA HIS A 19 9.762 9.780 -3.883 1.00 0.00 C ATOM 251 C HIS A 19 10.383 10.625 -4.997 1.00 0.00 C ATOM 252 O HIS A 19 11.389 10.236 -5.588 1.00 0.00 O ATOM 253 CB HIS A 19 10.743 9.481 -2.748 1.00 0.00 C ATOM 254 CG HIS A 19 10.123 8.764 -1.573 1.00 0.00 C ATOM 255 ND1 HIS A 19 8.874 9.087 -1.071 1.00 0.00 N ATOM 256 CD2 HIS A 19 10.591 7.736 -0.808 1.00 0.00 C ATOM 257 CE1 HIS A 19 8.613 8.285 -0.049 1.00 0.00 C ATOM 258 NE2 HIS A 19 9.679 7.449 0.113 1.00 0.00 N ATOM 0 H HIS A 19 9.774 8.162 -5.216 1.00 0.00 H new ATOM 0 HA HIS A 19 8.953 10.362 -3.442 1.00 0.00 H new ATOM 0 HB2 HIS A 19 11.561 8.876 -3.139 1.00 0.00 H new ATOM 0 HB3 HIS A 19 11.177 10.418 -2.400 1.00 0.00 H new ATOM 0 HD1 HIS A 19 8.259 9.818 -1.427 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.542 7.240 -0.931 1.00 0.00 H new ATOM 0 HE1 HIS A 19 7.715 8.292 0.550 1.00 0.00 H new ATOM 266 N ALA A 20 9.757 11.765 -5.250 1.00 0.00 N ATOM 267 CA ALA A 20 10.236 12.668 -6.282 1.00 0.00 C ATOM 268 C ALA A 20 11.410 13.483 -5.736 1.00 0.00 C ATOM 269 O ALA A 20 11.245 14.271 -4.807 1.00 0.00 O ATOM 270 CB ALA A 20 9.083 13.555 -6.759 1.00 0.00 C ATOM 0 H ALA A 20 8.922 12.084 -4.758 1.00 0.00 H new ATOM 0 HA ALA A 20 10.596 12.108 -7.145 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.442 14.233 -7.533 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.287 12.930 -7.164 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.698 14.134 -5.920 1.00 0.00 H new ATOM 276 N ASP A 21 12.571 13.263 -6.337 1.00 0.00 N ATOM 277 CA ASP A 21 13.773 13.967 -5.923 1.00 0.00 C ATOM 278 C ASP A 21 14.023 13.708 -4.436 1.00 0.00 C ATOM 279 O ASP A 21 14.632 14.530 -3.753 1.00 0.00 O ATOM 280 CB ASP A 21 13.623 15.477 -6.122 1.00 0.00 C ATOM 281 CG ASP A 21 14.553 16.086 -7.172 1.00 0.00 C ATOM 282 OD1 ASP A 21 15.678 16.508 -6.862 1.00 0.00 O ATOM 283 OD2 ASP A 21 14.075 16.120 -8.370 1.00 0.00 O ATOM 0 H ASP A 21 12.704 12.607 -7.107 1.00 0.00 H new ATOM 0 HA ASP A 21 14.603 13.604 -6.530 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.592 15.690 -6.404 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.802 15.974 -5.168 1.00 0.00 H new ATOM 289 N GLY A 22 13.541 12.562 -3.978 1.00 0.00 N ATOM 290 CA GLY A 22 13.705 12.185 -2.585 1.00 0.00 C ATOM 291 C GLY A 22 13.007 13.184 -1.660 1.00 0.00 C ATOM 292 O GLY A 22 13.583 13.623 -0.666 1.00 0.00 O ATOM 0 H GLY A 22 13.037 11.882 -4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.296 11.188 -2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.766 12.137 -2.340 1.00 0.00 H new ATOM 296 N GLU A 23 11.775 13.513 -2.021 1.00 0.00 N ATOM 297 CA GLU A 23 10.992 14.452 -1.236 1.00 0.00 C ATOM 298 C GLU A 23 9.598 13.883 -0.964 1.00 0.00 C ATOM 299 O GLU A 23 8.626 14.180 -1.654 1.00 0.00 O ATOM 300 CB GLU A 23 10.903 15.811 -1.934 1.00 0.00 C ATOM 301 CG GLU A 23 10.661 16.933 -0.923 1.00 0.00 C ATOM 302 CD GLU A 23 9.347 17.660 -1.214 1.00 0.00 C ATOM 303 OE1 GLU A 23 8.266 17.073 -1.058 1.00 0.00 O ATOM 304 OE2 GLU A 23 9.476 18.879 -1.615 1.00 0.00 O ATOM 0 H GLU A 23 11.300 13.146 -2.846 1.00 0.00 H new ATOM 0 HA GLU A 23 11.494 14.604 -0.281 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.826 16.003 -2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.095 15.796 -2.666 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.636 16.520 0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.488 17.642 -0.957 1.00 0.00 H new ATOM 312 N PRO A 24 9.523 13.047 0.074 1.00 0.00 N ATOM 313 CA PRO A 24 8.306 12.396 0.511 1.00 0.00 C ATOM 314 C PRO A 24 7.166 13.404 0.530 1.00 0.00 C ATOM 315 O PRO A 24 7.290 14.427 1.201 1.00 0.00 O ATOM 316 CB PRO A 24 8.615 11.891 1.918 1.00 0.00 C ATOM 317 CG PRO A 24 10.126 11.542 1.788 1.00 0.00 C ATOM 318 CD PRO A 24 10.646 12.676 0.907 1.00 0.00 C ATOM 0 HA PRO A 24 8.000 11.583 -0.147 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.432 12.651 2.678 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.013 11.022 2.185 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.623 11.519 2.758 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.280 10.566 1.328 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.987 13.519 1.508 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.494 12.351 0.304 1.00 0.00 H new ATOM 326 N SER A 25 6.097 13.105 -0.192 1.00 0.00 N ATOM 327 CA SER A 25 4.954 14.001 -0.243 1.00 0.00 C ATOM 328 C SER A 25 4.543 14.406 1.174 1.00 0.00 C ATOM 329 O SER A 25 4.765 13.659 2.126 1.00 0.00 O ATOM 330 CB SER A 25 3.776 13.351 -0.972 1.00 0.00 C ATOM 331 OG SER A 25 4.174 12.756 -2.204 1.00 0.00 O ATOM 0 H SER A 25 5.998 12.255 -0.747 1.00 0.00 H new ATOM 0 HA SER A 25 5.243 14.892 -0.800 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.327 12.592 -0.331 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.009 14.101 -1.163 1.00 0.00 H new ATOM 0 HG SER A 25 5.069 13.072 -2.446 1.00 0.00 H new ATOM 337 N LYS A 26 3.951 15.587 1.270 1.00 0.00 N ATOM 338 CA LYS A 26 3.507 16.100 2.555 1.00 0.00 C ATOM 339 C LYS A 26 2.000 15.876 2.695 1.00 0.00 C ATOM 340 O LYS A 26 1.319 16.627 3.393 1.00 0.00 O ATOM 341 CB LYS A 26 3.930 17.560 2.724 1.00 0.00 C ATOM 342 CG LYS A 26 3.128 18.475 1.795 1.00 0.00 C ATOM 343 CD LYS A 26 4.022 19.556 1.186 1.00 0.00 C ATOM 344 CE LYS A 26 3.194 20.757 0.724 1.00 0.00 C ATOM 345 NZ LYS A 26 3.486 21.941 1.562 1.00 0.00 N ATOM 0 H LYS A 26 3.768 16.204 0.479 1.00 0.00 H new ATOM 0 HA LYS A 26 3.988 15.557 3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.782 17.868 3.759 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.994 17.661 2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.673 17.884 1.000 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.315 18.941 2.351 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.759 19.879 1.921 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.573 19.143 0.341 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.416 20.979 -0.320 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.132 20.517 0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.916 22.747 1.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.252 21.731 2.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.496 22.179 1.488 1.00 0.00 H new ATOM 358 N ASP A 27 1.522 14.841 2.021 1.00 0.00 N ATOM 359 CA ASP A 27 0.108 14.509 2.061 1.00 0.00 C ATOM 360 C ASP A 27 -0.062 12.998 1.892 1.00 0.00 C ATOM 361 O ASP A 27 -0.571 12.322 2.785 1.00 0.00 O ATOM 362 CB ASP A 27 -0.653 15.200 0.928 1.00 0.00 C ATOM 363 CG ASP A 27 0.084 15.246 -0.412 1.00 0.00 C ATOM 364 OD1 ASP A 27 1.316 15.377 -0.459 1.00 0.00 O ATOM 365 OD2 ASP A 27 -0.670 15.139 -1.452 1.00 0.00 O ATOM 0 H ASP A 27 2.089 14.220 1.443 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.290 14.844 3.019 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.605 14.688 0.785 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.883 16.220 1.234 1.00 0.00 H new ATOM 371 N GLY A 28 0.375 12.511 0.739 1.00 0.00 N ATOM 372 CA GLY A 28 0.277 11.092 0.441 1.00 0.00 C ATOM 373 C GLY A 28 -0.392 10.862 -0.915 1.00 0.00 C ATOM 374 O GLY A 28 -0.006 9.959 -1.657 1.00 0.00 O ATOM 0 H GLY A 28 0.798 13.074 0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.272 10.647 0.440 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.295 10.591 1.222 1.00 0.00 H new ATOM 378 N ALA A 29 -1.384 11.693 -1.198 1.00 0.00 N ATOM 379 CA ALA A 29 -2.111 11.591 -2.452 1.00 0.00 C ATOM 380 C ALA A 29 -1.114 11.514 -3.610 1.00 0.00 C ATOM 381 O ALA A 29 -1.107 10.578 -4.406 1.00 0.00 O ATOM 382 CB ALA A 29 -3.069 12.776 -2.585 1.00 0.00 C ATOM 0 H ALA A 29 -1.702 12.440 -0.580 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.712 10.682 -2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.614 12.699 -3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.775 12.768 -1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.501 13.706 -2.570 1.00 0.00 H new ATOM 388 N TYR A 30 -0.259 12.537 -3.687 1.00 0.00 N ATOM 389 CA TYR A 30 0.747 12.614 -4.727 1.00 0.00 C ATOM 390 C TYR A 30 1.496 11.292 -4.820 1.00 0.00 C ATOM 391 O TYR A 30 1.721 10.814 -5.931 1.00 0.00 O ATOM 392 CB TYR A 30 1.707 13.759 -4.420 1.00 0.00 C ATOM 393 CG TYR A 30 2.830 13.889 -5.421 1.00 0.00 C ATOM 394 CD1 TYR A 30 2.556 13.826 -6.792 1.00 0.00 C ATOM 395 CD2 TYR A 30 4.145 14.072 -4.977 1.00 0.00 C ATOM 396 CE1 TYR A 30 3.598 13.946 -7.720 1.00 0.00 C ATOM 397 CE2 TYR A 30 5.187 14.192 -5.905 1.00 0.00 C ATOM 398 CZ TYR A 30 4.913 14.129 -7.277 1.00 0.00 C ATOM 399 OH TYR A 30 5.928 14.245 -8.181 1.00 0.00 O ATOM 0 H TYR A 30 -0.251 13.321 -3.035 1.00 0.00 H new ATOM 0 HA TYR A 30 0.269 12.805 -5.688 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.147 14.694 -4.391 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.131 13.610 -3.427 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.541 13.685 -7.134 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.356 14.121 -3.919 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.387 13.897 -8.778 1.00 0.00 H new ATOM 0 HE2 TYR A 30 6.202 14.333 -5.563 1.00 0.00 H new ATOM 0 HH TYR A 30 6.725 14.601 -7.735 1.00 0.00 H new ATOM 409 N GLU A 31 1.861 10.735 -3.675 1.00 0.00 N ATOM 410 CA GLU A 31 2.581 9.473 -3.653 1.00 0.00 C ATOM 411 C GLU A 31 1.671 8.335 -4.122 1.00 0.00 C ATOM 412 O GLU A 31 2.048 7.555 -4.995 1.00 0.00 O ATOM 413 CB GLU A 31 3.142 9.187 -2.259 1.00 0.00 C ATOM 414 CG GLU A 31 4.116 8.007 -2.292 1.00 0.00 C ATOM 415 CD GLU A 31 3.372 6.689 -2.520 1.00 0.00 C ATOM 416 OE1 GLU A 31 3.732 5.924 -3.427 1.00 0.00 O ATOM 417 OE2 GLU A 31 2.389 6.471 -1.715 1.00 0.00 O ATOM 0 H GLU A 31 1.672 11.134 -2.756 1.00 0.00 H new ATOM 0 HA GLU A 31 3.424 9.545 -4.340 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.651 10.073 -1.879 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.325 8.969 -1.572 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.848 8.157 -3.085 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.668 7.960 -1.353 1.00 0.00 H new ATOM 425 N PHE A 32 0.492 8.277 -3.521 1.00 0.00 N ATOM 426 CA PHE A 32 -0.474 7.248 -3.867 1.00 0.00 C ATOM 427 C PHE A 32 -0.586 7.088 -5.384 1.00 0.00 C ATOM 428 O PHE A 32 -0.895 6.005 -5.877 1.00 0.00 O ATOM 429 CB PHE A 32 -1.826 7.700 -3.312 1.00 0.00 C ATOM 430 CG PHE A 32 -3.018 6.911 -3.859 1.00 0.00 C ATOM 431 CD1 PHE A 32 -2.960 5.554 -3.929 1.00 0.00 C ATOM 432 CD2 PHE A 32 -4.135 7.566 -4.274 1.00 0.00 C ATOM 433 CE1 PHE A 32 -4.065 4.821 -4.437 1.00 0.00 C ATOM 434 CE2 PHE A 32 -5.240 6.834 -4.781 1.00 0.00 C ATOM 435 CZ PHE A 32 -5.182 5.477 -4.852 1.00 0.00 C ATOM 0 H PHE A 32 0.184 8.926 -2.797 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.163 6.290 -3.450 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.810 7.609 -2.226 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.967 8.756 -3.541 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.073 5.034 -3.598 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.181 8.644 -4.218 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.019 3.743 -4.494 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.127 7.355 -5.110 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.023 4.920 -5.238 1.00 0.00 H new ATOM 445 N GLU A 33 -0.328 8.184 -6.083 1.00 0.00 N ATOM 446 CA GLU A 33 -0.396 8.179 -7.534 1.00 0.00 C ATOM 447 C GLU A 33 0.647 7.221 -8.112 1.00 0.00 C ATOM 448 O GLU A 33 0.361 6.476 -9.048 1.00 0.00 O ATOM 449 CB GLU A 33 -0.215 9.591 -8.097 1.00 0.00 C ATOM 450 CG GLU A 33 -1.513 10.103 -8.722 1.00 0.00 C ATOM 451 CD GLU A 33 -1.655 9.617 -10.166 1.00 0.00 C ATOM 452 OE1 GLU A 33 -1.381 8.443 -10.455 1.00 0.00 O ATOM 453 OE2 GLU A 33 -2.069 10.508 -11.003 1.00 0.00 O ATOM 0 H GLU A 33 -0.072 9.081 -5.671 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.385 7.829 -7.830 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.100 10.266 -7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.577 9.589 -8.846 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.364 9.760 -8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.527 11.193 -8.698 1.00 0.00 H new ATOM 461 N GLN A 34 1.837 7.271 -7.529 1.00 0.00 N ATOM 462 CA GLN A 34 2.924 6.416 -7.974 1.00 0.00 C ATOM 463 C GLN A 34 2.448 4.966 -8.086 1.00 0.00 C ATOM 464 O GLN A 34 2.871 4.238 -8.982 1.00 0.00 O ATOM 465 CB GLN A 34 4.128 6.527 -7.035 1.00 0.00 C ATOM 466 CG GLN A 34 4.748 7.924 -7.102 1.00 0.00 C ATOM 467 CD GLN A 34 4.858 8.406 -8.550 1.00 0.00 C ATOM 468 OE1 GLN A 34 5.165 7.654 -9.460 1.00 0.00 O ATOM 469 NE2 GLN A 34 4.592 9.699 -8.712 1.00 0.00 N ATOM 0 H GLN A 34 2.071 7.890 -6.753 1.00 0.00 H new ATOM 0 HA GLN A 34 3.242 6.750 -8.961 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.817 6.312 -6.013 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.875 5.780 -7.305 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.141 8.623 -6.527 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.737 7.909 -6.644 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.341 10.273 -7.907 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.639 10.117 -9.641 1.00 0.00 H new ATOM 478 N CYS A 35 1.575 4.591 -7.163 1.00 0.00 N ATOM 479 CA CYS A 35 1.037 3.241 -7.147 1.00 0.00 C ATOM 480 C CYS A 35 -0.183 3.199 -8.070 1.00 0.00 C ATOM 481 O CYS A 35 -1.239 2.698 -7.687 1.00 0.00 O ATOM 482 CB CYS A 35 0.694 2.785 -5.727 1.00 0.00 C ATOM 483 SG CYS A 35 1.665 3.597 -4.405 1.00 0.00 S ATOM 0 H CYS A 35 1.227 5.198 -6.421 1.00 0.00 H new ATOM 0 HA CYS A 35 1.791 2.542 -7.510 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.365 2.970 -5.547 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.845 1.708 -5.660 1.00 0.00 H new ATOM 488 N GLN A 36 0.004 3.731 -9.269 1.00 0.00 N ATOM 489 CA GLN A 36 -1.068 3.761 -10.250 1.00 0.00 C ATOM 490 C GLN A 36 -0.493 3.701 -11.666 1.00 0.00 C ATOM 491 O GLN A 36 -0.646 4.642 -12.443 1.00 0.00 O ATOM 492 CB GLN A 36 -1.945 5.000 -10.066 1.00 0.00 C ATOM 493 CG GLN A 36 -3.420 4.614 -9.934 1.00 0.00 C ATOM 494 CD GLN A 36 -4.279 5.835 -9.598 1.00 0.00 C ATOM 495 OE1 GLN A 36 -5.242 6.153 -10.275 1.00 0.00 O ATOM 496 NE2 GLN A 36 -3.876 6.499 -8.518 1.00 0.00 N ATOM 0 H GLN A 36 0.882 4.145 -9.583 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.698 2.885 -10.098 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.627 5.546 -9.178 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.816 5.671 -10.915 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.767 4.166 -10.865 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.534 3.860 -9.156 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.060 6.178 -7.997 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.383 7.329 -8.211 1.00 0.00 H new ATOM 505 N SER A 37 0.158 2.585 -11.960 1.00 0.00 N ATOM 506 CA SER A 37 0.756 2.390 -13.269 1.00 0.00 C ATOM 507 C SER A 37 1.131 0.919 -13.460 1.00 0.00 C ATOM 508 O SER A 37 0.480 0.201 -14.217 1.00 0.00 O ATOM 509 CB SER A 37 1.988 3.279 -13.450 1.00 0.00 C ATOM 510 OG SER A 37 2.057 3.837 -14.759 1.00 0.00 O ATOM 0 H SER A 37 0.284 1.806 -11.313 1.00 0.00 H new ATOM 0 HA SER A 37 0.023 2.673 -14.025 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.966 4.083 -12.714 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.888 2.695 -13.257 1.00 0.00 H new ATOM 0 HG SER A 37 2.856 4.399 -14.833 1.00 0.00 H new ATOM 516 N CYS A 38 2.180 0.513 -12.759 1.00 0.00 N ATOM 517 CA CYS A 38 2.650 -0.860 -12.841 1.00 0.00 C ATOM 518 C CYS A 38 1.596 -1.767 -12.203 1.00 0.00 C ATOM 519 O CYS A 38 1.654 -2.987 -12.346 1.00 0.00 O ATOM 520 CB CYS A 38 4.022 -1.028 -12.185 1.00 0.00 C ATOM 521 SG CYS A 38 5.089 0.401 -12.590 1.00 0.00 S ATOM 0 H CYS A 38 2.718 1.111 -12.132 1.00 0.00 H new ATOM 0 HA CYS A 38 2.784 -1.140 -13.886 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.909 -1.113 -11.104 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.489 -1.950 -12.531 1.00 0.00 H new ATOM 526 N HIS A 39 0.658 -1.136 -11.512 1.00 0.00 N ATOM 527 CA HIS A 39 -0.407 -1.871 -10.851 1.00 0.00 C ATOM 528 C HIS A 39 -1.755 -1.472 -11.453 1.00 0.00 C ATOM 529 O HIS A 39 -2.225 -2.097 -12.402 1.00 0.00 O ATOM 530 CB HIS A 39 -0.349 -1.665 -9.336 1.00 0.00 C ATOM 531 CG HIS A 39 0.882 -2.247 -8.683 1.00 0.00 C ATOM 532 ND1 HIS A 39 1.191 -3.595 -8.732 1.00 0.00 N ATOM 533 CD2 HIS A 39 1.878 -1.649 -7.969 1.00 0.00 C ATOM 534 CE1 HIS A 39 2.323 -3.789 -8.072 1.00 0.00 C ATOM 535 NE2 HIS A 39 2.748 -2.581 -7.599 1.00 0.00 N ATOM 0 H HIS A 39 0.613 -0.124 -11.396 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.276 -2.940 -11.019 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.390 -0.597 -9.123 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.234 -2.114 -8.885 1.00 0.00 H new ATOM 0 HD1 HIS A 39 0.641 -4.317 -9.197 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.947 -0.595 -7.743 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.822 -4.737 -7.933 1.00 0.00 H new ATOM 543 N GLY A 40 -2.341 -0.433 -10.875 1.00 0.00 N ATOM 544 CA GLY A 40 -3.627 0.056 -11.342 1.00 0.00 C ATOM 545 C GLY A 40 -4.390 0.755 -10.215 1.00 0.00 C ATOM 546 O GLY A 40 -3.786 1.247 -9.264 1.00 0.00 O ATOM 0 H GLY A 40 -1.949 0.083 -10.088 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.478 0.750 -12.170 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.219 -0.775 -11.726 1.00 0.00 H new ATOM 550 N SER A 41 -5.707 0.775 -10.360 1.00 0.00 N ATOM 551 CA SER A 41 -6.560 1.404 -9.366 1.00 0.00 C ATOM 552 C SER A 41 -7.333 0.337 -8.588 1.00 0.00 C ATOM 553 O SER A 41 -7.629 -0.731 -9.120 1.00 0.00 O ATOM 554 CB SER A 41 -7.529 2.392 -10.018 1.00 0.00 C ATOM 555 OG SER A 41 -8.662 2.651 -9.193 1.00 0.00 O ATOM 0 H SER A 41 -6.204 0.366 -11.151 1.00 0.00 H new ATOM 0 HA SER A 41 -5.927 1.960 -8.675 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.009 3.328 -10.224 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.862 1.994 -10.977 1.00 0.00 H new ATOM 0 HG SER A 41 -9.256 3.287 -9.643 1.00 0.00 H new ATOM 561 N LEU A 42 -7.637 0.664 -7.341 1.00 0.00 N ATOM 562 CA LEU A 42 -8.370 -0.253 -6.484 1.00 0.00 C ATOM 563 C LEU A 42 -9.716 -0.584 -7.133 1.00 0.00 C ATOM 564 O LEU A 42 -10.244 -1.680 -6.950 1.00 0.00 O ATOM 565 CB LEU A 42 -8.493 0.317 -5.070 1.00 0.00 C ATOM 566 CG LEU A 42 -7.189 0.783 -4.419 1.00 0.00 C ATOM 567 CD1 LEU A 42 -7.398 2.086 -3.645 1.00 0.00 C ATOM 568 CD2 LEU A 42 -6.592 -0.317 -3.539 1.00 0.00 C ATOM 0 H LEU A 42 -7.389 1.551 -6.903 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.827 -1.192 -6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.183 1.160 -5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.944 -0.443 -4.431 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.467 0.990 -5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.456 2.395 -3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.745 2.862 -4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.142 1.930 -2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.666 0.040 -3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.301 -0.579 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.384 -1.197 -4.148 1.00 0.00 H new ATOM 580 N ALA A 43 -10.232 0.383 -7.877 1.00 0.00 N ATOM 581 CA ALA A 43 -11.506 0.207 -8.554 1.00 0.00 C ATOM 582 C ALA A 43 -11.337 -0.794 -9.698 1.00 0.00 C ATOM 583 O ALA A 43 -12.313 -1.176 -10.342 1.00 0.00 O ATOM 584 CB ALA A 43 -12.018 1.565 -9.039 1.00 0.00 C ATOM 0 H ALA A 43 -9.791 1.291 -8.026 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.252 -0.198 -7.869 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.973 1.433 -9.547 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.149 2.230 -8.186 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.296 2.000 -9.731 1.00 0.00 H new ATOM 590 N GLU A 44 -10.092 -1.192 -9.915 1.00 0.00 N ATOM 591 CA GLU A 44 -9.783 -2.142 -10.970 1.00 0.00 C ATOM 592 C GLU A 44 -9.101 -3.381 -10.385 1.00 0.00 C ATOM 593 O GLU A 44 -8.347 -4.063 -11.078 1.00 0.00 O ATOM 594 CB GLU A 44 -8.914 -1.497 -12.052 1.00 0.00 C ATOM 595 CG GLU A 44 -9.757 -1.093 -13.263 1.00 0.00 C ATOM 596 CD GLU A 44 -9.598 0.398 -13.568 1.00 0.00 C ATOM 597 OE1 GLU A 44 -10.450 1.207 -13.171 1.00 0.00 O ATOM 598 OE2 GLU A 44 -8.543 0.707 -14.243 1.00 0.00 O ATOM 0 H GLU A 44 -9.285 -0.874 -9.378 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.717 -2.452 -11.438 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.412 -0.619 -11.645 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.136 -2.194 -12.362 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.457 -1.680 -14.131 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.806 -1.319 -13.072 1.00 0.00 H new ATOM 606 N MET A 45 -9.390 -3.634 -9.118 1.00 0.00 N ATOM 607 CA MET A 45 -8.814 -4.778 -8.432 1.00 0.00 C ATOM 608 C MET A 45 -9.906 -5.736 -7.951 1.00 0.00 C ATOM 609 O MET A 45 -11.078 -5.564 -8.284 1.00 0.00 O ATOM 610 CB MET A 45 -7.994 -4.296 -7.234 1.00 0.00 C ATOM 611 CG MET A 45 -6.813 -3.435 -7.688 1.00 0.00 C ATOM 612 SD MET A 45 -5.514 -3.487 -6.466 1.00 0.00 S ATOM 613 CE MET A 45 -4.546 -2.079 -6.983 1.00 0.00 C ATOM 0 H MET A 45 -10.016 -3.066 -8.547 1.00 0.00 H new ATOM 0 HA MET A 45 -8.171 -5.311 -9.132 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.630 -3.721 -6.561 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.628 -5.154 -6.671 1.00 0.00 H new ATOM 0 HG2 MET A 45 -6.437 -3.795 -8.646 1.00 0.00 H new ATOM 0 HG3 MET A 45 -7.140 -2.406 -7.840 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.642 -2.424 -7.485 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.131 -1.467 -7.670 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.273 -1.485 -6.111 1.00 0.00 H new ATOM 623 N ASP A 46 -9.483 -6.724 -7.177 1.00 0.00 N ATOM 624 CA ASP A 46 -10.411 -7.709 -6.647 1.00 0.00 C ATOM 625 C ASP A 46 -11.545 -6.992 -5.913 1.00 0.00 C ATOM 626 O ASP A 46 -11.555 -5.765 -5.824 1.00 0.00 O ATOM 627 CB ASP A 46 -9.716 -8.639 -5.650 1.00 0.00 C ATOM 628 CG ASP A 46 -8.290 -8.233 -5.272 1.00 0.00 C ATOM 629 OD1 ASP A 46 -7.936 -8.177 -4.085 1.00 0.00 O ATOM 630 OD2 ASP A 46 -7.518 -7.962 -6.269 1.00 0.00 O ATOM 0 H ASP A 46 -8.510 -6.864 -6.904 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.793 -8.296 -7.482 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.317 -8.687 -4.742 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.692 -9.645 -6.070 1.00 0.00 H new ATOM 636 N ASP A 47 -12.475 -7.788 -5.405 1.00 0.00 N ATOM 637 CA ASP A 47 -13.612 -7.244 -4.682 1.00 0.00 C ATOM 638 C ASP A 47 -13.198 -6.946 -3.239 1.00 0.00 C ATOM 639 O ASP A 47 -14.032 -6.578 -2.414 1.00 0.00 O ATOM 640 CB ASP A 47 -14.770 -8.244 -4.644 1.00 0.00 C ATOM 641 CG ASP A 47 -15.247 -8.732 -6.013 1.00 0.00 C ATOM 642 OD1 ASP A 47 -14.441 -8.948 -6.931 1.00 0.00 O ATOM 643 OD2 ASP A 47 -16.523 -8.892 -6.121 1.00 0.00 O ATOM 0 H ASP A 47 -12.464 -8.805 -5.480 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.935 -6.337 -5.194 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.465 -9.108 -4.053 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.611 -7.784 -4.126 1.00 0.00 H new ATOM 649 N ASN A 48 -11.910 -7.116 -2.980 1.00 0.00 N ATOM 650 CA ASN A 48 -11.375 -6.869 -1.652 1.00 0.00 C ATOM 651 C ASN A 48 -10.705 -5.494 -1.623 1.00 0.00 C ATOM 652 O ASN A 48 -10.566 -4.889 -0.561 1.00 0.00 O ATOM 653 CB ASN A 48 -10.322 -7.915 -1.279 1.00 0.00 C ATOM 654 CG ASN A 48 -10.842 -9.331 -1.535 1.00 0.00 C ATOM 655 OD1 ASN A 48 -11.979 -9.543 -1.923 1.00 0.00 O ATOM 656 ND2 ASN A 48 -9.948 -10.287 -1.295 1.00 0.00 N ATOM 0 H ASN A 48 -11.221 -7.422 -3.667 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.201 -6.918 -0.942 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.415 -7.746 -1.859 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.053 -7.807 -0.228 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.198 -11.266 -1.434 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.012 -10.041 -0.972 1.00 0.00 H new ATOM 663 N HIS A 49 -10.309 -5.039 -2.803 1.00 0.00 N ATOM 664 CA HIS A 49 -9.658 -3.747 -2.927 1.00 0.00 C ATOM 665 C HIS A 49 -10.689 -2.688 -3.322 1.00 0.00 C ATOM 666 O HIS A 49 -10.661 -1.568 -2.814 1.00 0.00 O ATOM 667 CB HIS A 49 -8.481 -3.822 -3.902 1.00 0.00 C ATOM 668 CG HIS A 49 -7.241 -4.456 -3.320 1.00 0.00 C ATOM 669 ND1 HIS A 49 -7.074 -5.826 -3.222 1.00 0.00 N ATOM 670 CD2 HIS A 49 -6.109 -3.893 -2.808 1.00 0.00 C ATOM 671 CE1 HIS A 49 -5.893 -6.066 -2.674 1.00 0.00 C ATOM 672 NE2 HIS A 49 -5.296 -4.867 -2.417 1.00 0.00 N ATOM 0 H HIS A 49 -10.427 -5.543 -3.682 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.238 -3.454 -1.965 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.787 -4.388 -4.782 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.237 -2.815 -4.240 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -7.747 -6.532 -3.521 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.908 -2.834 -2.733 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.476 -7.040 -2.467 1.00 0.00 H new ATOM 680 N LYS A 50 -11.575 -3.080 -4.226 1.00 0.00 N ATOM 681 CA LYS A 50 -12.614 -2.179 -4.695 1.00 0.00 C ATOM 682 C LYS A 50 -13.254 -1.476 -3.496 1.00 0.00 C ATOM 683 O LYS A 50 -13.101 -0.275 -3.286 1.00 0.00 O ATOM 684 CB LYS A 50 -13.616 -2.928 -5.576 1.00 0.00 C ATOM 685 CG LYS A 50 -13.173 -2.919 -7.040 1.00 0.00 C ATOM 686 CD LYS A 50 -14.195 -3.634 -7.927 1.00 0.00 C ATOM 687 CE LYS A 50 -14.250 -5.128 -7.604 1.00 0.00 C ATOM 688 NZ LYS A 50 -15.554 -5.480 -6.997 1.00 0.00 N ATOM 0 H LYS A 50 -11.595 -4.009 -4.646 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.186 -1.402 -5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.714 -3.956 -5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -14.600 -2.467 -5.487 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.048 -1.891 -7.379 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.202 -3.406 -7.133 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.180 -3.191 -7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.933 -3.494 -8.976 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.097 -5.709 -8.514 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.442 -5.388 -6.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.772 -6.477 -7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.509 -5.335 -5.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -16.299 -4.876 -7.400 1.00 0.00 H new ATOM 701 N PRO A 51 -13.985 -2.265 -2.705 1.00 0.00 N ATOM 702 CA PRO A 51 -14.677 -1.812 -1.517 1.00 0.00 C ATOM 703 C PRO A 51 -13.920 -0.645 -0.899 1.00 0.00 C ATOM 704 O PRO A 51 -14.550 0.354 -0.552 1.00 0.00 O ATOM 705 CB PRO A 51 -14.679 -3.019 -0.581 1.00 0.00 C ATOM 706 CG PRO A 51 -14.727 -4.211 -1.597 1.00 0.00 C ATOM 707 CD PRO A 51 -14.186 -3.681 -2.923 1.00 0.00 C ATOM 0 HA PRO A 51 -15.689 -1.463 -1.723 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.788 -3.052 0.046 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.540 -3.017 0.088 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -14.126 -5.047 -1.241 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -15.746 -4.578 -1.714 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.253 -4.175 -3.195 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -14.890 -3.859 -3.736 1.00 0.00 H new ATOM 715 N HIS A 52 -12.609 -0.786 -0.774 1.00 0.00 N ATOM 716 CA HIS A 52 -11.795 0.268 -0.195 1.00 0.00 C ATOM 717 C HIS A 52 -11.606 1.391 -1.217 1.00 0.00 C ATOM 718 O HIS A 52 -11.810 2.562 -0.902 1.00 0.00 O ATOM 719 CB HIS A 52 -10.468 -0.292 0.322 1.00 0.00 C ATOM 720 CG HIS A 52 -10.610 -1.206 1.516 1.00 0.00 C ATOM 721 ND1 HIS A 52 -10.226 -2.535 1.492 1.00 0.00 N ATOM 722 CD2 HIS A 52 -11.096 -0.967 2.768 1.00 0.00 C ATOM 723 CE1 HIS A 52 -10.476 -3.063 2.681 1.00 0.00 C ATOM 724 NE2 HIS A 52 -11.015 -2.090 3.470 1.00 0.00 N ATOM 0 H HIS A 52 -12.090 -1.615 -1.064 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.305 0.693 0.670 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -9.977 -0.838 -0.484 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -9.814 0.538 0.589 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.820 -3.025 0.695 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -11.481 -0.024 3.127 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -10.286 -4.085 2.974 1.00 0.00 H new ATOM 732 N ASP A 53 -11.220 0.993 -2.420 1.00 0.00 N ATOM 733 CA ASP A 53 -11.002 1.951 -3.491 1.00 0.00 C ATOM 734 C ASP A 53 -11.729 3.256 -3.158 1.00 0.00 C ATOM 735 O ASP A 53 -12.946 3.349 -3.313 1.00 0.00 O ATOM 736 CB ASP A 53 -11.554 1.428 -4.819 1.00 0.00 C ATOM 737 CG ASP A 53 -11.317 2.342 -6.023 1.00 0.00 C ATOM 738 OD1 ASP A 53 -10.177 2.507 -6.484 1.00 0.00 O ATOM 739 OD2 ASP A 53 -12.376 2.906 -6.496 1.00 0.00 O ATOM 0 H ASP A 53 -11.053 0.020 -2.677 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.928 2.113 -3.585 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.104 0.457 -5.025 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.626 1.266 -4.711 1.00 0.00 H new ATOM 745 N GLY A 54 -10.953 4.230 -2.707 1.00 0.00 N ATOM 746 CA GLY A 54 -11.507 5.525 -2.351 1.00 0.00 C ATOM 747 C GLY A 54 -11.827 5.592 -0.856 1.00 0.00 C ATOM 748 O GLY A 54 -12.949 5.919 -0.472 1.00 0.00 O ATOM 0 H GLY A 54 -9.944 4.148 -2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.798 6.312 -2.611 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.413 5.709 -2.929 1.00 0.00 H new ATOM 752 N LEU A 55 -10.821 5.277 -0.053 1.00 0.00 N ATOM 753 CA LEU A 55 -10.981 5.297 1.391 1.00 0.00 C ATOM 754 C LEU A 55 -9.606 5.420 2.050 1.00 0.00 C ATOM 755 O LEU A 55 -9.343 6.382 2.770 1.00 0.00 O ATOM 756 CB LEU A 55 -11.781 4.079 1.858 1.00 0.00 C ATOM 757 CG LEU A 55 -13.288 4.288 2.019 1.00 0.00 C ATOM 758 CD1 LEU A 55 -13.972 3.005 2.495 1.00 0.00 C ATOM 759 CD2 LEU A 55 -13.582 5.471 2.944 1.00 0.00 C ATOM 0 H LEU A 55 -9.892 5.006 -0.375 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.561 6.167 1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.621 3.269 1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.376 3.748 2.814 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.705 4.532 1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -15.042 3.181 2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -13.805 2.212 1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.556 2.706 3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.660 5.598 3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -13.149 5.281 3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.147 6.378 2.524 1.00 0.00 H new ATOM 771 N LEU A 56 -8.766 4.431 1.781 1.00 0.00 N ATOM 772 CA LEU A 56 -7.424 4.417 2.340 1.00 0.00 C ATOM 773 C LEU A 56 -6.414 4.153 1.222 1.00 0.00 C ATOM 774 O LEU A 56 -6.749 3.541 0.208 1.00 0.00 O ATOM 775 CB LEU A 56 -7.336 3.419 3.496 1.00 0.00 C ATOM 776 CG LEU A 56 -7.093 1.960 3.106 1.00 0.00 C ATOM 777 CD1 LEU A 56 -5.965 1.350 3.940 1.00 0.00 C ATOM 778 CD2 LEU A 56 -8.384 1.144 3.204 1.00 0.00 C ATOM 0 H LEU A 56 -8.988 3.634 1.184 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.179 5.389 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.533 3.735 4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.263 3.472 4.067 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.773 1.934 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.813 0.312 3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.046 1.913 3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.231 1.389 4.996 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.184 0.111 2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.757 1.174 4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.132 1.565 2.533 1.00 0.00 H new ATOM 790 N MET A 57 -5.197 4.628 1.443 1.00 0.00 N ATOM 791 CA MET A 57 -4.135 4.451 0.467 1.00 0.00 C ATOM 792 C MET A 57 -3.533 3.047 0.560 1.00 0.00 C ATOM 793 O MET A 57 -3.783 2.323 1.523 1.00 0.00 O ATOM 794 CB MET A 57 -3.041 5.493 0.707 1.00 0.00 C ATOM 795 CG MET A 57 -3.076 6.582 -0.367 1.00 0.00 C ATOM 796 SD MET A 57 -4.532 7.594 -0.164 1.00 0.00 S ATOM 797 CE MET A 57 -3.927 9.142 -0.815 1.00 0.00 C ATOM 0 H MET A 57 -4.923 5.136 2.284 1.00 0.00 H new ATOM 0 HA MET A 57 -4.558 4.579 -0.529 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.172 5.943 1.691 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.065 5.008 0.706 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.181 7.200 -0.299 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.074 6.127 -1.358 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.254 9.960 -0.172 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.838 9.121 -0.850 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.320 9.292 -1.821 1.00 0.00 H new ATOM 807 N CYS A 58 -2.751 2.705 -0.454 1.00 0.00 N ATOM 808 CA CYS A 58 -2.111 1.401 -0.498 1.00 0.00 C ATOM 809 C CYS A 58 -1.251 1.245 0.757 1.00 0.00 C ATOM 810 O CYS A 58 -1.568 0.446 1.636 1.00 0.00 O ATOM 811 CB CYS A 58 -1.293 1.216 -1.778 1.00 0.00 C ATOM 812 SG CYS A 58 -2.119 1.790 -3.306 1.00 0.00 S ATOM 0 H CYS A 58 -2.546 3.308 -1.251 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.871 0.620 -0.515 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.349 1.750 -1.670 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.051 0.159 -1.888 1.00 0.00 H new ATOM 817 N ALA A 59 -0.178 2.023 0.801 1.00 0.00 N ATOM 818 CA ALA A 59 0.730 1.981 1.934 1.00 0.00 C ATOM 819 C ALA A 59 -0.078 1.834 3.225 1.00 0.00 C ATOM 820 O ALA A 59 0.173 0.928 4.019 1.00 0.00 O ATOM 821 CB ALA A 59 1.605 3.236 1.934 1.00 0.00 C ATOM 0 H ALA A 59 0.082 2.685 0.070 1.00 0.00 H new ATOM 0 HA ALA A 59 1.394 1.120 1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.286 3.205 2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.180 3.278 1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.972 4.121 2.009 1.00 0.00 H new ATOM 827 N ASP A 60 -1.032 2.738 3.395 1.00 0.00 N ATOM 828 CA ASP A 60 -1.878 2.720 4.576 1.00 0.00 C ATOM 829 C ASP A 60 -2.148 1.270 4.983 1.00 0.00 C ATOM 830 O ASP A 60 -2.284 0.969 6.168 1.00 0.00 O ATOM 831 CB ASP A 60 -3.224 3.392 4.299 1.00 0.00 C ATOM 832 CG ASP A 60 -3.135 4.822 3.762 1.00 0.00 C ATOM 833 OD1 ASP A 60 -2.039 5.333 3.485 1.00 0.00 O ATOM 834 OD2 ASP A 60 -4.267 5.427 3.630 1.00 0.00 O ATOM 0 H ASP A 60 -1.238 3.488 2.734 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.361 3.260 5.369 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.776 2.784 3.582 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.805 3.402 5.221 1.00 0.00 H new ATOM 840 N CYS A 61 -2.218 0.410 3.977 1.00 0.00 N ATOM 841 CA CYS A 61 -2.470 -1.001 4.215 1.00 0.00 C ATOM 842 C CYS A 61 -1.163 -1.766 3.995 1.00 0.00 C ATOM 843 O CYS A 61 -0.720 -2.508 4.870 1.00 0.00 O ATOM 844 CB CYS A 61 -3.598 -1.532 3.329 1.00 0.00 C ATOM 845 SG CYS A 61 -5.092 -1.847 4.338 1.00 0.00 S ATOM 0 H CYS A 61 -2.105 0.663 2.996 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.806 -1.145 5.242 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.825 -0.811 2.544 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.282 -2.451 2.836 1.00 0.00 H new ATOM 850 N HIS A 62 -0.583 -1.558 2.822 1.00 0.00 N ATOM 851 CA HIS A 62 0.664 -2.219 2.476 1.00 0.00 C ATOM 852 C HIS A 62 1.842 -1.412 3.027 1.00 0.00 C ATOM 853 O HIS A 62 2.736 -1.023 2.278 1.00 0.00 O ATOM 854 CB HIS A 62 0.756 -2.448 0.966 1.00 0.00 C ATOM 855 CG HIS A 62 -0.284 -3.398 0.424 1.00 0.00 C ATOM 856 ND1 HIS A 62 -0.352 -4.729 0.800 1.00 0.00 N ATOM 857 CD2 HIS A 62 -1.297 -3.197 -0.467 1.00 0.00 C ATOM 858 CE1 HIS A 62 -1.364 -5.293 0.157 1.00 0.00 C ATOM 859 NE2 HIS A 62 -1.947 -4.343 -0.628 1.00 0.00 N ATOM 0 H HIS A 62 -0.954 -0.941 2.099 1.00 0.00 H new ATOM 0 HA HIS A 62 0.698 -3.206 2.937 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.658 -1.489 0.457 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.746 -2.835 0.727 1.00 0.00 H new ATOM 0 HD1 HIS A 62 0.271 -5.196 1.459 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.531 -2.264 -0.958 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.673 -6.325 0.240 1.00 0.00 H new ATOM 867 N ALA A 63 1.803 -1.186 4.332 1.00 0.00 N ATOM 868 CA ALA A 63 2.856 -0.433 4.992 1.00 0.00 C ATOM 869 C ALA A 63 4.209 -0.824 4.393 1.00 0.00 C ATOM 870 O ALA A 63 4.815 -1.831 4.753 1.00 0.00 O ATOM 871 CB ALA A 63 2.793 -0.681 6.500 1.00 0.00 C ATOM 0 H ALA A 63 1.059 -1.511 4.950 1.00 0.00 H new ATOM 0 HA ALA A 63 2.721 0.637 4.832 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.583 -0.116 6.995 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.824 -0.360 6.881 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.927 -1.744 6.700 1.00 0.00 H new ATOM 877 N PRO A 64 4.674 0.007 3.458 1.00 0.00 N ATOM 878 CA PRO A 64 5.931 -0.168 2.763 1.00 0.00 C ATOM 879 C PRO A 64 7.081 -0.074 3.755 1.00 0.00 C ATOM 880 O PRO A 64 7.868 -1.015 3.843 1.00 0.00 O ATOM 881 CB PRO A 64 5.983 0.977 1.753 1.00 0.00 C ATOM 882 CG PRO A 64 4.511 1.451 1.599 1.00 0.00 C ATOM 883 CD PRO A 64 3.988 1.200 3.012 1.00 0.00 C ATOM 0 HA PRO A 64 6.013 -1.138 2.273 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.622 1.786 2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.391 0.643 0.799 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.441 2.500 1.312 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.967 0.878 0.848 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.199 2.045 3.667 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.907 1.058 3.014 1.00 0.00 H new ATOM 891 N HIS A 65 7.159 1.039 4.470 1.00 0.00 N ATOM 892 CA HIS A 65 8.220 1.230 5.443 1.00 0.00 C ATOM 893 C HIS A 65 7.846 0.533 6.753 1.00 0.00 C ATOM 894 O HIS A 65 7.815 1.163 7.809 1.00 0.00 O ATOM 895 CB HIS A 65 8.526 2.717 5.629 1.00 0.00 C ATOM 896 CG HIS A 65 9.204 3.358 4.442 1.00 0.00 C ATOM 897 ND1 HIS A 65 10.370 2.861 3.887 1.00 0.00 N ATOM 898 CD2 HIS A 65 8.869 4.460 3.711 1.00 0.00 C ATOM 899 CE1 HIS A 65 10.712 3.636 2.868 1.00 0.00 C ATOM 900 NE2 HIS A 65 9.781 4.627 2.761 1.00 0.00 N ATOM 0 H HIS A 65 6.504 1.818 4.394 1.00 0.00 H new ATOM 0 HA HIS A 65 9.140 0.773 5.078 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.595 3.246 5.832 1.00 0.00 H new ATOM 0 HB3 HIS A 65 9.160 2.840 6.507 1.00 0.00 H new ATOM 0 HD1 HIS A 65 10.880 2.038 4.208 1.00 0.00 H new ATOM 0 HD2 HIS A 65 8.008 5.090 3.877 1.00 0.00 H new ATOM 0 HE1 HIS A 65 11.576 3.506 2.234 1.00 0.00 H new ATOM 908 N GLU A 66 7.572 -0.758 6.642 1.00 0.00 N ATOM 909 CA GLU A 66 7.202 -1.548 7.804 1.00 0.00 C ATOM 910 C GLU A 66 6.920 -2.995 7.395 1.00 0.00 C ATOM 911 O GLU A 66 7.624 -3.911 7.818 1.00 0.00 O ATOM 912 CB GLU A 66 5.996 -0.936 8.520 1.00 0.00 C ATOM 913 CG GLU A 66 5.540 -1.823 9.681 1.00 0.00 C ATOM 914 CD GLU A 66 4.078 -2.241 9.510 1.00 0.00 C ATOM 915 OE1 GLU A 66 3.784 -3.443 9.419 1.00 0.00 O ATOM 916 OE2 GLU A 66 3.233 -1.268 9.472 1.00 0.00 O ATOM 0 H GLU A 66 7.599 -1.277 5.765 1.00 0.00 H new ATOM 0 HA GLU A 66 8.039 -1.545 8.502 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.255 0.055 8.894 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.176 -0.806 7.813 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.172 -2.710 9.736 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.661 -1.287 10.622 1.00 0.00 H new ATOM 924 N ALA A 67 5.891 -3.156 6.577 1.00 0.00 N ATOM 925 CA ALA A 67 5.508 -4.476 6.107 1.00 0.00 C ATOM 926 C ALA A 67 6.681 -5.102 5.350 1.00 0.00 C ATOM 927 O ALA A 67 7.660 -4.424 5.044 1.00 0.00 O ATOM 928 CB ALA A 67 4.249 -4.365 5.244 1.00 0.00 C ATOM 0 H ALA A 67 5.310 -2.394 6.227 1.00 0.00 H new ATOM 0 HA ALA A 67 5.271 -5.129 6.947 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.961 -5.355 4.891 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.438 -3.941 5.836 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.450 -3.719 4.389 1.00 0.00 H new ATOM 934 N LYS A 68 6.542 -6.390 5.069 1.00 0.00 N ATOM 935 CA LYS A 68 7.578 -7.116 4.353 1.00 0.00 C ATOM 936 C LYS A 68 6.938 -7.936 3.231 1.00 0.00 C ATOM 937 O LYS A 68 5.918 -8.591 3.441 1.00 0.00 O ATOM 938 CB LYS A 68 8.415 -7.950 5.324 1.00 0.00 C ATOM 939 CG LYS A 68 7.583 -8.386 6.532 1.00 0.00 C ATOM 940 CD LYS A 68 8.297 -9.484 7.323 1.00 0.00 C ATOM 941 CE LYS A 68 8.790 -8.955 8.671 1.00 0.00 C ATOM 942 NZ LYS A 68 10.065 -8.222 8.505 1.00 0.00 N ATOM 0 H LYS A 68 5.728 -6.949 5.324 1.00 0.00 H new ATOM 0 HA LYS A 68 8.274 -6.422 3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.805 -8.829 4.811 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.274 -7.369 5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.398 -7.529 7.179 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.611 -8.748 6.197 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.618 -10.322 7.483 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.141 -9.863 6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.039 -8.296 9.106 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.928 -9.784 9.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.386 -7.870 9.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.784 -8.861 8.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.922 -7.419 7.859 1.00 0.00 H new ATOM 955 N VAL A 69 7.563 -7.872 2.065 1.00 0.00 N ATOM 956 CA VAL A 69 7.067 -8.601 0.910 1.00 0.00 C ATOM 957 C VAL A 69 6.534 -9.962 1.361 1.00 0.00 C ATOM 958 O VAL A 69 7.216 -10.694 2.077 1.00 0.00 O ATOM 959 CB VAL A 69 8.164 -8.710 -0.151 1.00 0.00 C ATOM 960 CG1 VAL A 69 7.980 -9.967 -1.003 1.00 0.00 C ATOM 961 CG2 VAL A 69 8.208 -7.456 -1.026 1.00 0.00 C ATOM 0 H VAL A 69 8.408 -7.327 1.895 1.00 0.00 H new ATOM 0 HA VAL A 69 6.238 -8.065 0.447 1.00 0.00 H new ATOM 0 HB VAL A 69 9.121 -8.792 0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.773 -10.020 -1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.023 -10.849 -0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.013 -9.929 -1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.996 -7.560 -1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.249 -7.329 -1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.410 -6.585 -0.403 1.00 0.00 H new ATOM 971 N GLY A 70 5.319 -10.261 0.923 1.00 0.00 N ATOM 972 CA GLY A 70 4.687 -11.522 1.273 1.00 0.00 C ATOM 973 C GLY A 70 4.062 -11.453 2.668 1.00 0.00 C ATOM 974 O GLY A 70 4.101 -12.427 3.418 1.00 0.00 O ATOM 0 H GLY A 70 4.756 -9.652 0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.919 -11.765 0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.424 -12.324 1.240 1.00 0.00 H new ATOM 978 N GLU A 71 3.501 -10.292 2.974 1.00 0.00 N ATOM 979 CA GLU A 71 2.868 -10.083 4.265 1.00 0.00 C ATOM 980 C GLU A 71 1.482 -9.461 4.083 1.00 0.00 C ATOM 981 O GLU A 71 1.361 -8.250 3.901 1.00 0.00 O ATOM 982 CB GLU A 71 3.744 -9.216 5.171 1.00 0.00 C ATOM 983 CG GLU A 71 3.088 -9.013 6.538 1.00 0.00 C ATOM 984 CD GLU A 71 3.543 -10.085 7.530 1.00 0.00 C ATOM 985 OE1 GLU A 71 4.196 -9.764 8.534 1.00 0.00 O ATOM 986 OE2 GLU A 71 3.195 -11.290 7.228 1.00 0.00 O ATOM 0 H GLU A 71 3.472 -9.486 2.350 1.00 0.00 H new ATOM 0 HA GLU A 71 2.748 -11.052 4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.719 -9.686 5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.916 -8.249 4.699 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.341 -8.025 6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.004 -9.046 6.433 1.00 0.00 H new ATOM 994 N LYS A 72 0.473 -10.317 4.138 1.00 0.00 N ATOM 995 CA LYS A 72 -0.900 -9.866 3.981 1.00 0.00 C ATOM 996 C LYS A 72 -1.357 -9.179 5.270 1.00 0.00 C ATOM 997 O LYS A 72 -1.465 -9.790 6.331 1.00 0.00 O ATOM 998 CB LYS A 72 -1.799 -11.026 3.551 1.00 0.00 C ATOM 999 CG LYS A 72 -2.164 -11.910 4.746 1.00 0.00 C ATOM 1000 CD LYS A 72 -2.832 -13.207 4.285 1.00 0.00 C ATOM 1001 CE LYS A 72 -1.788 -14.237 3.852 1.00 0.00 C ATOM 1002 NZ LYS A 72 -1.581 -15.245 4.916 1.00 0.00 N ATOM 0 H LYS A 72 0.578 -11.320 4.289 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.969 -9.127 3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.707 -10.636 3.092 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.291 -11.623 2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.266 -12.143 5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.835 -11.368 5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.438 -13.616 5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.507 -12.998 3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.113 -14.729 2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.846 -13.737 3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.869 -15.937 4.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.250 -14.773 5.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.478 -15.735 5.110 1.00 0.00 H new ATOM 1015 N PRO A 73 -1.626 -7.877 5.151 1.00 0.00 N ATOM 1016 CA PRO A 73 -2.073 -7.034 6.238 1.00 0.00 C ATOM 1017 C PRO A 73 -3.238 -7.701 6.956 1.00 0.00 C ATOM 1018 O PRO A 73 -3.925 -8.517 6.343 1.00 0.00 O ATOM 1019 CB PRO A 73 -2.515 -5.734 5.569 1.00 0.00 C ATOM 1020 CG PRO A 73 -1.633 -5.665 4.333 1.00 0.00 C ATOM 1021 CD PRO A 73 -1.510 -7.129 3.918 1.00 0.00 C ATOM 0 HA PRO A 73 -1.298 -6.858 6.984 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.573 -5.754 5.308 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.364 -4.874 6.221 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.085 -5.059 3.548 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.661 -5.225 4.555 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.293 -7.407 3.212 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.556 -7.322 3.427 1.00 0.00 H new ATOM 1029 N THR A 74 -3.437 -7.351 8.218 1.00 0.00 N ATOM 1030 CA THR A 74 -4.520 -7.931 8.993 1.00 0.00 C ATOM 1031 C THR A 74 -5.657 -6.920 9.159 1.00 0.00 C ATOM 1032 O THR A 74 -5.413 -5.746 9.436 1.00 0.00 O ATOM 1033 CB THR A 74 -3.942 -8.418 10.323 1.00 0.00 C ATOM 1034 OG1 THR A 74 -3.327 -7.260 10.880 1.00 0.00 O ATOM 1035 CG2 THR A 74 -2.784 -9.400 10.134 1.00 0.00 C ATOM 0 H THR A 74 -2.866 -6.673 8.723 1.00 0.00 H new ATOM 0 HA THR A 74 -4.959 -8.787 8.480 1.00 0.00 H new ATOM 0 HB THR A 74 -4.730 -8.893 10.908 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.963 -6.803 11.469 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.411 -9.714 11.109 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.133 -10.272 9.581 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.982 -8.914 9.578 1.00 0.00 H new ATOM 1043 N CYS A 75 -6.874 -7.413 8.984 1.00 0.00 N ATOM 1044 CA CYS A 75 -8.049 -6.567 9.110 1.00 0.00 C ATOM 1045 C CYS A 75 -8.176 -6.137 10.573 1.00 0.00 C ATOM 1046 O CYS A 75 -8.469 -4.977 10.859 1.00 0.00 O ATOM 1047 CB CYS A 75 -9.311 -7.274 8.612 1.00 0.00 C ATOM 1048 SG CYS A 75 -9.070 -8.321 7.130 1.00 0.00 S ATOM 0 H CYS A 75 -7.072 -8.387 8.756 1.00 0.00 H new ATOM 0 HA CYS A 75 -7.934 -5.684 8.481 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -9.705 -7.894 9.417 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -10.068 -6.522 8.389 1.00 0.00 H new ATOM 1053 N ASP A 76 -7.948 -7.094 11.460 1.00 0.00 N ATOM 1054 CA ASP A 76 -8.033 -6.829 12.886 1.00 0.00 C ATOM 1055 C ASP A 76 -7.368 -5.485 13.191 1.00 0.00 C ATOM 1056 O ASP A 76 -7.720 -4.821 14.165 1.00 0.00 O ATOM 1057 CB ASP A 76 -7.308 -7.909 13.692 1.00 0.00 C ATOM 1058 CG ASP A 76 -7.680 -9.347 13.325 1.00 0.00 C ATOM 1059 OD1 ASP A 76 -8.497 -9.586 12.424 1.00 0.00 O ATOM 1060 OD2 ASP A 76 -7.083 -10.257 14.018 1.00 0.00 O ATOM 0 H ASP A 76 -7.704 -8.055 11.219 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.087 -6.818 13.164 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.234 -7.782 13.558 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.518 -7.754 14.750 1.00 0.00 H new ATOM 1066 N THR A 77 -6.418 -5.125 12.340 1.00 0.00 N ATOM 1067 CA THR A 77 -5.700 -3.873 12.507 1.00 0.00 C ATOM 1068 C THR A 77 -6.673 -2.692 12.476 1.00 0.00 C ATOM 1069 O THR A 77 -6.555 -1.765 13.276 1.00 0.00 O ATOM 1070 CB THR A 77 -4.621 -3.799 11.425 1.00 0.00 C ATOM 1071 OG1 THR A 77 -3.941 -5.047 11.527 1.00 0.00 O ATOM 1072 CG2 THR A 77 -3.543 -2.761 11.743 1.00 0.00 C ATOM 0 H THR A 77 -6.129 -5.678 11.533 1.00 0.00 H new ATOM 0 HA THR A 77 -5.210 -3.825 13.479 1.00 0.00 H new ATOM 0 HB THR A 77 -5.084 -3.560 10.467 1.00 0.00 H new ATOM 0 HG1 THR A 77 -3.738 -5.383 10.629 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.802 -2.749 10.944 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.001 -1.775 11.828 1.00 0.00 H new ATOM 0 HG23 THR A 77 -3.057 -3.018 12.684 1.00 0.00 H new ATOM 1080 N CYS A 78 -7.613 -2.765 11.545 1.00 0.00 N ATOM 1081 CA CYS A 78 -8.605 -1.714 11.399 1.00 0.00 C ATOM 1082 C CYS A 78 -9.967 -2.280 11.808 1.00 0.00 C ATOM 1083 O CYS A 78 -10.663 -1.694 12.635 1.00 0.00 O ATOM 1084 CB CYS A 78 -8.626 -1.148 9.978 1.00 0.00 C ATOM 1085 SG CYS A 78 -7.248 0.035 9.755 1.00 0.00 S ATOM 0 H CYS A 78 -7.708 -3.536 10.884 1.00 0.00 H new ATOM 0 HA CYS A 78 -8.350 -0.877 12.049 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -8.541 -1.958 9.254 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -9.577 -0.650 9.790 1.00 0.00 H new ATOM 1090 N HIS A 79 -10.306 -3.412 11.209 1.00 0.00 N ATOM 1091 CA HIS A 79 -11.572 -4.063 11.500 1.00 0.00 C ATOM 1092 C HIS A 79 -11.375 -5.090 12.617 1.00 0.00 C ATOM 1093 O HIS A 79 -11.039 -6.244 12.353 1.00 0.00 O ATOM 1094 CB HIS A 79 -12.173 -4.673 10.233 1.00 0.00 C ATOM 1095 CG HIS A 79 -12.238 -3.720 9.064 1.00 0.00 C ATOM 1096 ND1 HIS A 79 -12.875 -2.493 9.131 1.00 0.00 N ATOM 1097 CD2 HIS A 79 -11.739 -3.826 7.799 1.00 0.00 C ATOM 1098 CE1 HIS A 79 -12.759 -1.896 7.954 1.00 0.00 C ATOM 1099 NE2 HIS A 79 -12.055 -2.724 7.129 1.00 0.00 N ATOM 0 H HIS A 79 -9.726 -3.895 10.523 1.00 0.00 H new ATOM 0 HA HIS A 79 -12.292 -3.325 11.854 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -11.583 -5.544 9.946 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -13.179 -5.028 10.455 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -13.353 -2.113 9.948 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -11.181 -4.664 7.408 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -13.153 -0.925 7.693 1.00 0.00 H new ATOM 1107 N ASP A 80 -11.593 -4.634 13.842 1.00 0.00 N ATOM 1108 CA ASP A 80 -11.444 -5.499 15.000 1.00 0.00 C ATOM 1109 C ASP A 80 -12.791 -6.151 15.320 1.00 0.00 C ATOM 1110 O ASP A 80 -13.100 -6.406 16.483 1.00 0.00 O ATOM 1111 CB ASP A 80 -11.000 -4.703 16.229 1.00 0.00 C ATOM 1112 CG ASP A 80 -9.557 -4.198 16.185 1.00 0.00 C ATOM 1113 OD1 ASP A 80 -8.654 -4.794 16.791 1.00 0.00 O ATOM 1114 OD2 ASP A 80 -9.373 -3.132 15.483 1.00 0.00 O ATOM 0 H ASP A 80 -11.872 -3.677 14.058 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.690 -6.250 14.765 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.665 -3.848 16.349 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.123 -5.329 17.113 1.00 0.00 H new ATOM 1120 N ASP A 81 -13.556 -6.402 14.268 1.00 0.00 N ATOM 1121 CA ASP A 81 -14.862 -7.019 14.423 1.00 0.00 C ATOM 1122 C ASP A 81 -14.787 -8.481 13.975 1.00 0.00 C ATOM 1123 O ASP A 81 -15.814 -9.111 13.726 1.00 0.00 O ATOM 1124 CB ASP A 81 -15.911 -6.314 13.560 1.00 0.00 C ATOM 1125 CG ASP A 81 -15.521 -6.126 12.093 1.00 0.00 C ATOM 1126 OD1 ASP A 81 -15.085 -7.073 11.421 1.00 0.00 O ATOM 1127 OD2 ASP A 81 -15.681 -4.931 11.635 1.00 0.00 O ATOM 0 H ASP A 81 -13.296 -6.189 13.305 1.00 0.00 H new ATOM 0 HA ASP A 81 -15.148 -6.943 15.472 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.839 -6.885 13.603 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -16.118 -5.336 13.993 1.00 0.00 H new ATOM 1133 N GLY A 82 -13.562 -8.977 13.887 1.00 0.00 N ATOM 1134 CA GLY A 82 -13.340 -10.352 13.473 1.00 0.00 C ATOM 1135 C GLY A 82 -13.036 -10.432 11.976 1.00 0.00 C ATOM 1136 O GLY A 82 -12.509 -11.436 11.498 1.00 0.00 O ATOM 0 H GLY A 82 -12.713 -8.452 14.095 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.511 -10.777 14.039 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.222 -10.951 13.701 1.00 0.00 H new ATOM 1140 N ARG A 83 -13.380 -9.361 11.276 1.00 0.00 N ATOM 1141 CA ARG A 83 -13.151 -9.297 9.843 1.00 0.00 C ATOM 1142 C ARG A 83 -11.859 -10.032 9.479 1.00 0.00 C ATOM 1143 O ARG A 83 -10.814 -9.792 10.082 1.00 0.00 O ATOM 1144 CB ARG A 83 -13.058 -7.847 9.364 1.00 0.00 C ATOM 1145 CG ARG A 83 -14.107 -7.556 8.289 1.00 0.00 C ATOM 1146 CD ARG A 83 -15.495 -8.014 8.740 1.00 0.00 C ATOM 1147 NE ARG A 83 -16.432 -6.868 8.734 1.00 0.00 N ATOM 1148 CZ ARG A 83 -17.080 -6.426 7.635 1.00 0.00 C ATOM 1149 NH1 ARG A 83 -16.898 -7.031 6.443 1.00 0.00 N ATOM 1150 NH2 ARG A 83 -17.895 -5.393 7.745 1.00 0.00 N ATOM 0 H ARG A 83 -13.816 -8.530 11.675 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.997 -9.776 9.350 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.200 -7.172 10.208 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -12.062 -7.655 8.966 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.125 -6.488 8.073 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.835 -8.064 7.364 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.862 -8.798 8.077 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.438 -8.443 9.740 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.599 -6.382 9.615 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -16.267 -7.829 6.367 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -17.391 -6.691 5.618 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -18.027 -4.942 8.650 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -18.392 -5.046 6.925 1.00 0.00 H new ATOM 1160 N THR A 84 -11.973 -10.911 8.495 1.00 0.00 N ATOM 1161 CA THR A 84 -10.827 -11.682 8.043 1.00 0.00 C ATOM 1162 C THR A 84 -10.651 -11.540 6.530 1.00 0.00 C ATOM 1163 O THR A 84 -11.602 -11.219 5.819 1.00 0.00 O ATOM 1164 CB THR A 84 -11.022 -13.130 8.499 1.00 0.00 C ATOM 1165 OG1 THR A 84 -12.388 -13.406 8.202 1.00 0.00 O ATOM 1166 CG2 THR A 84 -10.932 -13.282 10.019 1.00 0.00 C ATOM 0 H THR A 84 -12.842 -11.107 7.998 1.00 0.00 H new ATOM 0 HA THR A 84 -9.902 -11.309 8.482 1.00 0.00 H new ATOM 0 HB THR A 84 -10.272 -13.764 8.026 1.00 0.00 H new ATOM 0 HG1 THR A 84 -12.600 -14.326 8.464 1.00 0.00 H new ATOM 0 HG21 THR A 84 -11.077 -14.328 10.289 1.00 0.00 H new ATOM 0 HG22 THR A 84 -9.951 -12.952 10.360 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.704 -12.675 10.492 1.00 0.00 H new ATOM 1174 N ALA A 85 -9.428 -11.785 6.083 1.00 0.00 N ATOM 1175 CA ALA A 85 -9.116 -11.688 4.668 1.00 0.00 C ATOM 1176 C ALA A 85 -9.837 -12.807 3.913 1.00 0.00 C ATOM 1177 O ALA A 85 -10.224 -13.812 4.506 1.00 0.00 O ATOM 1178 CB ALA A 85 -7.599 -11.740 4.475 1.00 0.00 C ATOM 0 H ALA A 85 -8.642 -12.050 6.676 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.465 -10.738 4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.365 -11.667 3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.136 -10.909 5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.214 -12.681 4.868 1.00 0.00 H new ATOM 1184 N LYS A 86 -9.996 -12.594 2.615 1.00 0.00 N ATOM 1185 CA LYS A 86 -10.664 -13.571 1.772 1.00 0.00 C ATOM 1186 C LYS A 86 -9.883 -13.732 0.467 1.00 0.00 C ATOM 1187 O LYS A 86 -8.653 -13.747 0.473 1.00 0.00 O ATOM 1188 CB LYS A 86 -12.132 -13.189 1.568 1.00 0.00 C ATOM 1189 CG LYS A 86 -12.961 -14.403 1.144 1.00 0.00 C ATOM 1190 CD LYS A 86 -13.306 -14.339 -0.345 1.00 0.00 C ATOM 1191 CE LYS A 86 -14.817 -14.222 -0.553 1.00 0.00 C ATOM 1192 NZ LYS A 86 -15.157 -14.377 -1.985 1.00 0.00 N ATOM 0 H LYS A 86 -9.674 -11.759 2.126 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.677 -14.547 2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.535 -12.774 2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.207 -12.410 0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.406 -15.318 1.353 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.878 -14.445 1.732 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.805 -13.485 -0.802 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.934 -15.232 -0.847 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.331 -14.984 0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.166 -13.254 -0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.186 -14.295 -2.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.682 -13.635 -2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.842 -15.311 -2.318 1.00 0.00 H new TER 1205 LYS A 86 HETATM 1206 FE HEM A 218 9.790 5.961 1.424 1.00 0.00 FE HETATM 1207 CHA HEM A 218 7.782 7.935 3.563 1.00 0.00 C HETATM 1208 CHB HEM A 218 12.573 7.327 2.930 1.00 0.00 C HETATM 1209 CHC HEM A 218 11.731 4.157 -0.671 1.00 0.00 C HETATM 1210 CHD HEM A 218 6.893 4.822 -0.076 1.00 0.00 C HETATM 1211 NA HEM A 218 10.097 7.396 2.901 1.00 0.00 N HETATM 1212 C1A HEM A 218 9.162 7.997 3.726 1.00 0.00 C HETATM 1213 C2A HEM A 218 9.822 8.709 4.795 1.00 0.00 C HETATM 1214 C3A HEM A 218 11.150 8.542 4.623 1.00 0.00 C HETATM 1215 C4A HEM A 218 11.326 7.726 3.445 1.00 0.00 C HETATM 1216 CMA HEM A 218 12.267 9.083 5.468 1.00 0.00 C HETATM 1217 CAA HEM A 218 9.120 9.478 5.877 1.00 0.00 C HETATM 1218 CBA HEM A 218 9.888 9.539 7.194 1.00 0.00 C HETATM 1219 CGA HEM A 218 10.497 10.917 7.409 1.00 0.00 C HETATM 1220 O1A HEM A 218 11.683 10.958 7.800 1.00 0.00 O HETATM 1221 O2A HEM A 218 9.765 11.903 7.179 1.00 0.00 O HETATM 1222 NB HEM A 218 11.738 5.838 1.149 1.00 0.00 N HETATM 1223 C1B HEM A 218 12.746 6.372 1.933 1.00 0.00 C HETATM 1224 C2B HEM A 218 14.021 5.798 1.571 1.00 0.00 C HETATM 1225 C3B HEM A 218 13.790 4.919 0.573 1.00 0.00 C HETATM 1226 C4B HEM A 218 12.372 4.940 0.307 1.00 0.00 C HETATM 1227 CMB HEM A 218 15.332 6.144 2.214 1.00 0.00 C HETATM 1228 CAB HEM A 218 14.787 4.062 -0.151 1.00 0.00 C HETATM 1229 CBB HEM A 218 15.507 3.056 0.743 1.00 0.00 C HETATM 1230 NC HEM A 218 9.365 4.668 -0.010 1.00 0.00 N HETATM 1231 C1C HEM A 218 10.294 4.080 -0.851 1.00 0.00 C HETATM 1232 C2C HEM A 218 9.631 3.447 -1.967 1.00 0.00 C HETATM 1233 C3C HEM A 218 8.306 3.649 -1.807 1.00 0.00 C HETATM 1234 C4C HEM A 218 8.136 4.409 -0.591 1.00 0.00 C HETATM 1235 CMC HEM A 218 10.327 2.713 -3.075 1.00 0.00 C HETATM 1236 CAC HEM A 218 7.188 3.191 -2.697 1.00 0.00 C HETATM 1237 CBC HEM A 218 7.252 1.710 -3.062 1.00 0.00 C HETATM 1238 ND HEM A 218 7.752 6.288 1.712 1.00 0.00 N HETATM 1239 C1D HEM A 218 6.733 5.755 0.943 1.00 0.00 C HETATM 1240 C2D HEM A 218 5.461 6.306 1.346 1.00 0.00 C HETATM 1241 C3D HEM A 218 5.704 7.170 2.354 1.00 0.00 C HETATM 1242 C4D HEM A 218 7.129 7.162 2.586 1.00 0.00 C HETATM 1243 CMD HEM A 218 4.138 5.955 0.729 1.00 0.00 C HETATM 1244 CAD HEM A 218 4.714 8.001 3.118 1.00 0.00 C HETATM 1245 CBD HEM A 218 3.481 8.395 2.311 1.00 0.00 C HETATM 1246 CGD HEM A 218 2.261 7.597 2.748 1.00 0.00 C HETATM 1247 O1D HEM A 218 2.157 7.341 3.967 1.00 0.00 O HETATM 1248 O2D HEM A 218 1.456 7.256 1.855 1.00 0.00 O HETATM 0 HMA1 HEM A 218 11.959 10.027 5.918 1.00 0.00 H new HETATM 0 HMA2 HEM A 218 13.147 9.248 4.846 1.00 0.00 H new HETATM 0 HMA3 HEM A 218 12.508 8.368 6.254 1.00 0.00 H new HETATM 0 HMB1 HEM A 218 15.305 7.176 2.563 1.00 0.00 H new HETATM 0 HMB2 HEM A 218 16.136 6.028 1.487 1.00 0.00 H new HETATM 0 HMB3 HEM A 218 15.509 5.480 3.060 1.00 0.00 H new HETATM 0 HMC1 HEM A 218 11.316 3.144 -3.232 1.00 0.00 H new HETATM 0 HMC2 HEM A 218 9.744 2.800 -3.992 1.00 0.00 H new HETATM 0 HMC3 HEM A 218 10.428 1.661 -2.808 1.00 0.00 H new HETATM 0 HMD1 HEM A 218 4.284 5.691 -0.319 1.00 0.00 H new HETATM 0 HMD2 HEM A 218 3.466 6.810 0.798 1.00 0.00 H new HETATM 0 HMD3 HEM A 218 3.703 5.108 1.259 1.00 0.00 H new HETATM 0 HBB1 HEM A 218 16.252 2.384 0.317 1.00 0.00 H new HETATM 0 HBB2 HEM A 218 15.276 3.010 1.807 1.00 0.00 H new HETATM 0 HBC1 HEM A 218 6.487 1.274 -3.705 1.00 0.00 H new HETATM 0 HBC2 HEM A 218 8.062 1.089 -2.680 1.00 0.00 H new HETATM 0 HBA1 HEM A 218 10.676 8.786 7.195 1.00 0.00 H new HETATM 0 HBA2 HEM A 218 9.218 9.301 8.020 1.00 0.00 H new HETATM 0 HAA1 HEM A 218 8.146 9.024 6.057 1.00 0.00 H new HETATM 0 HAA2 HEM A 218 8.938 10.494 5.527 1.00 0.00 H new HETATM 0 HBD1 HEM A 218 3.668 8.227 1.250 1.00 0.00 H new HETATM 0 HBD2 HEM A 218 3.286 9.460 2.436 1.00 0.00 H new HETATM 0 HAD1 HEM A 218 5.210 8.906 3.470 1.00 0.00 H new HETATM 0 HAD2 HEM A 218 4.396 7.448 4.001 1.00 0.00 H new HETATM 0 HHA HEM A 218 7.170 8.521 4.233 1.00 0.00 H new HETATM 0 HHB HEM A 218 13.457 7.795 3.337 1.00 0.00 H new HETATM 0 HHC HEM A 218 12.352 3.573 -1.334 1.00 0.00 H new HETATM 0 HHD HEM A 218 6.002 4.384 -0.501 1.00 0.00 H new HETATM 0 HAB HEM A 218 14.980 4.150 -1.220 1.00 0.00 H new HETATM 0 HAC HEM A 218 6.401 3.856 -3.051 1.00 0.00 H new HETATM 1249 FE HEM A 238 4.400 -2.261 -6.731 1.00 0.00 FE HETATM 1250 CHA HEM A 238 4.666 -5.774 -6.420 1.00 0.00 C HETATM 1251 CHB HEM A 238 2.621 -2.336 -3.641 1.00 0.00 C HETATM 1252 CHC HEM A 238 4.146 1.120 -6.716 1.00 0.00 C HETATM 1253 CHD HEM A 238 6.129 -2.363 -9.574 1.00 0.00 C HETATM 1254 NA HEM A 238 3.786 -3.759 -5.301 1.00 0.00 N HETATM 1255 C1A HEM A 238 3.972 -5.127 -5.403 1.00 0.00 C HETATM 1256 C2A HEM A 238 3.339 -5.802 -4.295 1.00 0.00 C HETATM 1257 C3A HEM A 238 2.771 -4.852 -3.523 1.00 0.00 C HETATM 1258 C4A HEM A 238 3.046 -3.579 -4.145 1.00 0.00 C HETATM 1259 CMA HEM A 238 1.992 -5.037 -2.253 1.00 0.00 C HETATM 1260 CAA HEM A 238 3.338 -7.288 -4.083 1.00 0.00 C HETATM 1261 CBA HEM A 238 2.103 -7.811 -3.354 1.00 0.00 C HETATM 1262 CGA HEM A 238 2.440 -8.216 -1.926 1.00 0.00 C HETATM 1263 O1A HEM A 238 1.637 -8.981 -1.349 1.00 0.00 O HETATM 1264 O2A HEM A 238 3.494 -7.754 -1.439 1.00 0.00 O HETATM 1265 NB HEM A 238 3.473 -0.910 -5.465 1.00 0.00 N HETATM 1266 C1B HEM A 238 2.949 -1.105 -4.199 1.00 0.00 C HETATM 1267 C2B HEM A 238 2.786 0.161 -3.524 1.00 0.00 C HETATM 1268 C3B HEM A 238 3.208 1.121 -4.374 1.00 0.00 C HETATM 1269 C4B HEM A 238 3.636 0.459 -5.583 1.00 0.00 C HETATM 1270 CMB HEM A 238 2.243 0.330 -2.135 1.00 0.00 C HETATM 1271 CAB HEM A 238 3.243 2.605 -4.148 1.00 0.00 C HETATM 1272 CBB HEM A 238 3.750 3.011 -2.767 1.00 0.00 C HETATM 1273 NC HEM A 238 5.003 -0.917 -7.907 1.00 0.00 N HETATM 1274 C1C HEM A 238 4.676 0.427 -7.895 1.00 0.00 C HETATM 1275 C2C HEM A 238 5.101 1.058 -9.122 1.00 0.00 C HETATM 1276 C3C HEM A 238 5.683 0.102 -9.878 1.00 0.00 C HETATM 1277 C4C HEM A 238 5.624 -1.129 -9.125 1.00 0.00 C HETATM 1278 CMC HEM A 238 4.910 2.509 -9.454 1.00 0.00 C HETATM 1279 CAC HEM A 238 6.289 0.246 -11.244 1.00 0.00 C HETATM 1280 CBC HEM A 238 7.187 1.470 -11.399 1.00 0.00 C HETATM 1281 ND HEM A 238 5.246 -3.762 -7.744 1.00 0.00 N HETATM 1282 C1D HEM A 238 5.878 -3.587 -8.963 1.00 0.00 C HETATM 1283 C2D HEM A 238 6.248 -4.865 -9.524 1.00 0.00 C HETATM 1284 C3D HEM A 238 5.843 -5.813 -8.652 1.00 0.00 C HETATM 1285 C4D HEM A 238 5.219 -5.131 -7.543 1.00 0.00 C HETATM 1286 CMD HEM A 238 6.950 -5.056 -10.836 1.00 0.00 C HETATM 1287 CAD HEM A 238 5.992 -7.302 -8.771 1.00 0.00 C HETATM 1288 CBD HEM A 238 4.690 -8.032 -9.087 1.00 0.00 C HETATM 1289 CGD HEM A 238 3.842 -7.239 -10.071 1.00 0.00 C HETATM 1290 O1D HEM A 238 3.609 -7.772 -11.178 1.00 0.00 O HETATM 1291 O2D HEM A 238 3.443 -6.115 -9.698 1.00 0.00 O HETATM 0 HMA1 HEM A 238 2.122 -4.162 -1.616 1.00 0.00 H new HETATM 0 HMA2 HEM A 238 2.353 -5.923 -1.731 1.00 0.00 H new HETATM 0 HMA3 HEM A 238 0.935 -5.160 -2.489 1.00 0.00 H new HETATM 0 HMB1 HEM A 238 1.534 -0.470 -1.922 1.00 0.00 H new HETATM 0 HMB2 HEM A 238 1.738 1.293 -2.056 1.00 0.00 H new HETATM 0 HMB3 HEM A 238 3.062 0.290 -1.417 1.00 0.00 H new HETATM 0 HMC1 HEM A 238 5.717 2.842 -10.106 1.00 0.00 H new HETATM 0 HMC2 HEM A 238 4.919 3.097 -8.536 1.00 0.00 H new HETATM 0 HMC3 HEM A 238 3.955 2.644 -9.961 1.00 0.00 H new HETATM 0 HMD1 HEM A 238 7.562 -5.957 -10.794 1.00 0.00 H new HETATM 0 HMD2 HEM A 238 7.587 -4.194 -11.037 1.00 0.00 H new HETATM 0 HMD3 HEM A 238 6.212 -5.155 -11.632 1.00 0.00 H new HETATM 0 HBB1 HEM A 238 3.815 4.065 -2.499 1.00 0.00 H new HETATM 0 HBB2 HEM A 238 4.047 2.247 -2.049 1.00 0.00 H new HETATM 0 HBC1 HEM A 238 7.677 1.669 -12.352 1.00 0.00 H new HETATM 0 HBC2 HEM A 238 7.338 2.145 -10.557 1.00 0.00 H new HETATM 0 HBA1 HEM A 238 1.695 -8.667 -3.891 1.00 0.00 H new HETATM 0 HBA2 HEM A 238 1.330 -7.043 -3.345 1.00 0.00 H new HETATM 0 HAA1 HEM A 238 4.226 -7.564 -3.515 1.00 0.00 H new HETATM 0 HAA2 HEM A 238 3.412 -7.783 -5.051 1.00 0.00 H new HETATM 0 HBD1 HEM A 238 4.128 -8.195 -8.167 1.00 0.00 H new HETATM 0 HBD2 HEM A 238 4.912 -9.015 -9.503 1.00 0.00 H new HETATM 0 HAD1 HEM A 238 6.398 -7.692 -7.838 1.00 0.00 H new HETATM 0 HAD2 HEM A 238 6.719 -7.523 -9.552 1.00 0.00 H new HETATM 0 HHA HEM A 238 4.789 -6.844 -6.342 1.00 0.00 H new HETATM 0 HHB HEM A 238 1.997 -2.338 -2.760 1.00 0.00 H new HETATM 0 HHC HEM A 238 4.147 2.200 -6.717 1.00 0.00 H new HETATM 0 HHD HEM A 238 6.755 -2.360 -10.454 1.00 0.00 H new HETATM 0 HAB HEM A 238 2.934 3.328 -4.903 1.00 0.00 H new HETATM 0 HAC HEM A 238 6.104 -0.461 -12.053 1.00 0.00 H new HETATM 1292 FE HEM A 261 -3.460 -4.620 -1.698 1.00 0.00 FE HETATM 1293 CHA HEM A 261 -2.981 -7.984 -1.857 1.00 0.00 C HETATM 1294 CHB HEM A 261 -1.921 -4.074 -4.561 1.00 0.00 C HETATM 1295 CHC HEM A 261 -4.383 -1.251 -1.448 1.00 0.00 C HETATM 1296 CHD HEM A 261 -5.025 -5.117 1.507 1.00 0.00 C HETATM 1297 NA HEM A 261 -2.664 -5.787 -2.932 1.00 0.00 N HETATM 1298 C1A HEM A 261 -2.487 -7.158 -2.861 1.00 0.00 C HETATM 1299 C2A HEM A 261 -1.708 -7.622 -3.985 1.00 0.00 C HETATM 1300 C3A HEM A 261 -1.413 -6.540 -4.736 1.00 0.00 C HETATM 1301 C4A HEM A 261 -2.005 -5.396 -4.085 1.00 0.00 C HETATM 1302 CMA HEM A 261 -0.623 -6.489 -6.012 1.00 0.00 C HETATM 1303 CAA HEM A 261 -1.323 -9.051 -4.231 1.00 0.00 C HETATM 1304 CBA HEM A 261 -2.496 -9.957 -4.594 1.00 0.00 C HETATM 1305 CGA HEM A 261 -2.010 -11.293 -5.137 1.00 0.00 C HETATM 1306 O1A HEM A 261 -2.610 -12.317 -4.745 1.00 0.00 O HETATM 1307 O2A HEM A 261 -1.047 -11.265 -5.934 1.00 0.00 O HETATM 1308 NB HEM A 261 -3.223 -3.003 -2.760 1.00 0.00 N HETATM 1309 C1B HEM A 261 -2.521 -2.977 -3.953 1.00 0.00 C HETATM 1310 C2B HEM A 261 -2.496 -1.637 -4.489 1.00 0.00 C HETATM 1311 C3B HEM A 261 -3.177 -0.851 -3.628 1.00 0.00 C HETATM 1312 C4B HEM A 261 -3.632 -1.698 -2.551 1.00 0.00 C HETATM 1313 CMB HEM A 261 -1.823 -1.237 -5.770 1.00 0.00 C HETATM 1314 CAB HEM A 261 -3.438 0.623 -3.731 1.00 0.00 C HETATM 1315 CBB HEM A 261 -4.071 1.051 -5.052 1.00 0.00 C HETATM 1316 NC HEM A 261 -4.581 -3.442 -0.264 1.00 0.00 N HETATM 1317 C1C HEM A 261 -4.787 -2.075 -0.339 1.00 0.00 C HETATM 1318 C2C HEM A 261 -5.379 -1.589 0.885 1.00 0.00 C HETATM 1319 C3C HEM A 261 -5.533 -2.653 1.701 1.00 0.00 C HETATM 1320 C4C HEM A 261 -5.038 -3.808 0.990 1.00 0.00 C HETATM 1321 CMC HEM A 261 -5.739 -0.157 1.155 1.00 0.00 C HETATM 1322 CAC HEM A 261 -6.104 -2.677 3.089 1.00 0.00 C HETATM 1323 CBC HEM A 261 -7.470 -2.008 3.209 1.00 0.00 C HETATM 1324 ND HEM A 261 -3.927 -6.207 -0.415 1.00 0.00 N HETATM 1325 C1D HEM A 261 -4.543 -6.229 0.825 1.00 0.00 C HETATM 1326 C2D HEM A 261 -4.619 -7.582 1.323 1.00 0.00 C HETATM 1327 C3D HEM A 261 -4.053 -8.380 0.392 1.00 0.00 C HETATM 1328 C4D HEM A 261 -3.621 -7.528 -0.691 1.00 0.00 C HETATM 1329 CMD HEM A 261 -5.224 -7.981 2.637 1.00 0.00 C HETATM 1330 CAD HEM A 261 -3.883 -9.871 0.433 1.00 0.00 C HETATM 1331 CBD HEM A 261 -5.165 -10.633 0.758 1.00 0.00 C HETATM 1332 CGD HEM A 261 -5.476 -11.666 -0.316 1.00 0.00 C HETATM 1333 O1D HEM A 261 -4.878 -12.761 -0.239 1.00 0.00 O HETATM 1334 O2D HEM A 261 -6.304 -11.340 -1.193 1.00 0.00 O HETATM 0 HMA1 HEM A 261 -0.981 -5.665 -6.629 1.00 0.00 H new HETATM 0 HMA2 HEM A 261 -0.745 -7.427 -6.553 1.00 0.00 H new HETATM 0 HMA3 HEM A 261 0.431 -6.337 -5.781 1.00 0.00 H new HETATM 0 HMB1 HEM A 261 -2.353 -0.393 -6.212 1.00 0.00 H new HETATM 0 HMB2 HEM A 261 -1.835 -2.077 -6.465 1.00 0.00 H new HETATM 0 HMB3 HEM A 261 -0.792 -0.950 -5.565 1.00 0.00 H new HETATM 0 HMC1 HEM A 261 -6.591 -0.118 1.834 1.00 0.00 H new HETATM 0 HMC2 HEM A 261 -5.999 0.336 0.218 1.00 0.00 H new HETATM 0 HMC3 HEM A 261 -4.889 0.352 1.609 1.00 0.00 H new HETATM 0 HMD1 HEM A 261 -5.107 -7.168 3.353 1.00 0.00 H new HETATM 0 HMD2 HEM A 261 -4.721 -8.871 3.014 1.00 0.00 H new HETATM 0 HMD3 HEM A 261 -6.284 -8.194 2.500 1.00 0.00 H new HETATM 0 HBB1 HEM A 261 -4.302 2.101 -5.231 1.00 0.00 H new HETATM 0 HBB2 HEM A 261 -4.292 0.307 -5.817 1.00 0.00 H new HETATM 0 HBC1 HEM A 261 -7.975 -1.970 4.174 1.00 0.00 H new HETATM 0 HBC2 HEM A 261 -7.941 -1.569 2.330 1.00 0.00 H new HETATM 0 HBA1 HEM A 261 -3.123 -9.465 -5.338 1.00 0.00 H new HETATM 0 HBA2 HEM A 261 -3.117 -10.123 -3.714 1.00 0.00 H new HETATM 0 HAA1 HEM A 261 -0.836 -9.444 -3.338 1.00 0.00 H new HETATM 0 HAA2 HEM A 261 -0.589 -9.085 -5.036 1.00 0.00 H new HETATM 0 HBD1 HEM A 261 -5.996 -9.933 0.845 1.00 0.00 H new HETATM 0 HBD2 HEM A 261 -5.063 -11.128 1.724 1.00 0.00 H new HETATM 0 HAD1 HEM A 261 -3.126 -10.120 1.177 1.00 0.00 H new HETATM 0 HAD2 HEM A 261 -3.506 -10.210 -0.532 1.00 0.00 H new HETATM 0 HHA HEM A 261 -2.865 -9.050 -1.982 1.00 0.00 H new HETATM 0 HHB HEM A 261 -1.351 -3.900 -5.461 1.00 0.00 H new HETATM 0 HHC HEM A 261 -4.678 -0.212 -1.432 1.00 0.00 H new HETATM 0 HHD HEM A 261 -5.416 -5.268 2.502 1.00 0.00 H new HETATM 0 HAB HEM A 261 -3.197 1.326 -2.933 1.00 0.00 H new HETATM 0 HAC HEM A 261 -5.589 -3.132 3.935 1.00 0.00 H new HETATM 1335 FE HEM A 278 -11.480 -2.287 5.390 1.00 0.00 FE HETATM 1336 CHA HEM A 278 -14.502 -0.683 4.762 1.00 0.00 C HETATM 1337 CHB HEM A 278 -13.093 -5.318 4.258 1.00 0.00 C HETATM 1338 CHC HEM A 278 -8.700 -4.184 6.028 1.00 0.00 C HETATM 1339 CHD HEM A 278 -10.077 0.506 6.412 1.00 0.00 C HETATM 1340 NA HEM A 278 -13.417 -2.896 4.668 1.00 0.00 N HETATM 1341 C1A HEM A 278 -14.489 -2.043 4.471 1.00 0.00 C HETATM 1342 C2A HEM A 278 -15.608 -2.765 3.914 1.00 0.00 C HETATM 1343 C3A HEM A 278 -15.221 -4.051 3.774 1.00 0.00 C HETATM 1344 C4A HEM A 278 -13.858 -4.137 4.242 1.00 0.00 C HETATM 1345 CMA HEM A 278 -16.020 -5.203 3.238 1.00 0.00 C HETATM 1346 CAA HEM A 278 -16.938 -2.158 3.572 1.00 0.00 C HETATM 1347 CBA HEM A 278 -17.170 -1.978 2.074 1.00 0.00 C HETATM 1348 CGA HEM A 278 -18.639 -1.713 1.776 1.00 0.00 C HETATM 1349 O1A HEM A 278 -19.111 -0.625 2.170 1.00 0.00 O HETATM 1350 O2A HEM A 278 -19.263 -2.604 1.160 1.00 0.00 O HETATM 1351 NB HEM A 278 -11.009 -4.340 5.144 1.00 0.00 N HETATM 1352 C1B HEM A 278 -11.791 -5.408 4.738 1.00 0.00 C HETATM 1353 C2B HEM A 278 -11.062 -6.646 4.882 1.00 0.00 C HETATM 1354 C3B HEM A 278 -9.844 -6.335 5.373 1.00 0.00 C HETATM 1355 C4B HEM A 278 -9.806 -4.901 5.537 1.00 0.00 C HETATM 1356 CMB HEM A 278 -11.601 -8.004 4.537 1.00 0.00 C HETATM 1357 CAB HEM A 278 -8.714 -7.267 5.700 1.00 0.00 C HETATM 1358 CBB HEM A 278 -8.258 -8.126 4.524 1.00 0.00 C HETATM 1359 NC HEM A 278 -9.656 -1.885 5.918 1.00 0.00 N HETATM 1360 C1C HEM A 278 -8.635 -2.753 6.265 1.00 0.00 C HETATM 1361 C2C HEM A 278 -7.653 -2.072 7.075 1.00 0.00 C HETATM 1362 C3C HEM A 278 -8.072 -0.797 7.220 1.00 0.00 C HETATM 1363 C4C HEM A 278 -9.319 -0.676 6.501 1.00 0.00 C HETATM 1364 CMC HEM A 278 -6.410 -2.704 7.631 1.00 0.00 C HETATM 1365 CAC HEM A 278 -7.404 0.316 7.974 1.00 0.00 C HETATM 1366 CBC HEM A 278 -5.979 0.609 7.515 1.00 0.00 C HETATM 1367 ND HEM A 278 -12.141 -0.472 5.480 1.00 0.00 N HETATM 1368 C1D HEM A 278 -11.424 0.555 6.068 1.00 0.00 C HETATM 1369 C2D HEM A 278 -12.274 1.703 6.279 1.00 0.00 C HETATM 1370 C3D HEM A 278 -13.502 1.377 5.822 1.00 0.00 C HETATM 1371 C4D HEM A 278 -13.423 0.024 5.324 1.00 0.00 C HETATM 1372 CMD HEM A 278 -11.831 2.998 6.895 1.00 0.00 C HETATM 1373 CAD HEM A 278 -14.740 2.225 5.813 1.00 0.00 C HETATM 1374 CBD HEM A 278 -14.793 3.257 6.936 1.00 0.00 C HETATM 1375 CGD HEM A 278 -14.617 2.598 8.296 1.00 0.00 C HETATM 1376 O1D HEM A 278 -15.011 3.240 9.293 1.00 0.00 O HETATM 1377 O2D HEM A 278 -14.093 1.463 8.313 1.00 0.00 O HETATM 0 HMA1 HEM A 278 -17.077 -5.044 3.452 1.00 0.00 H new HETATM 0 HMA2 HEM A 278 -15.689 -6.127 3.712 1.00 0.00 H new HETATM 0 HMA3 HEM A 278 -15.875 -5.276 2.160 1.00 0.00 H new HETATM 0 HMB1 HEM A 278 -12.681 -8.014 4.681 1.00 0.00 H new HETATM 0 HMB2 HEM A 278 -11.142 -8.753 5.183 1.00 0.00 H new HETATM 0 HMB3 HEM A 278 -11.372 -8.233 3.496 1.00 0.00 H new HETATM 0 HMC1 HEM A 278 -5.627 -1.951 7.720 1.00 0.00 H new HETATM 0 HMC2 HEM A 278 -6.075 -3.497 6.963 1.00 0.00 H new HETATM 0 HMC3 HEM A 278 -6.624 -3.124 8.614 1.00 0.00 H new HETATM 0 HMD1 HEM A 278 -12.420 3.817 6.483 1.00 0.00 H new HETATM 0 HMD2 HEM A 278 -10.776 3.163 6.675 1.00 0.00 H new HETATM 0 HMD3 HEM A 278 -11.974 2.955 7.975 1.00 0.00 H new HETATM 0 HBB1 HEM A 278 -7.443 -8.838 4.653 1.00 0.00 H new HETATM 0 HBB2 HEM A 278 -8.748 -8.028 3.555 1.00 0.00 H new HETATM 0 HBC1 HEM A 278 -5.403 1.399 7.997 1.00 0.00 H new HETATM 0 HBC2 HEM A 278 -5.537 0.028 6.705 1.00 0.00 H new HETATM 0 HBA1 HEM A 278 -16.843 -2.871 1.542 1.00 0.00 H new HETATM 0 HBA2 HEM A 278 -16.566 -1.149 1.706 1.00 0.00 H new HETATM 0 HAA1 HEM A 278 -17.020 -1.187 4.061 1.00 0.00 H new HETATM 0 HAA2 HEM A 278 -17.729 -2.788 3.979 1.00 0.00 H new HETATM 0 HBD1 HEM A 278 -15.747 3.784 6.905 1.00 0.00 H new HETATM 0 HBD2 HEM A 278 -14.012 4.002 6.786 1.00 0.00 H new HETATM 0 HAD1 HEM A 278 -15.613 1.576 5.888 1.00 0.00 H new HETATM 0 HAD2 HEM A 278 -14.808 2.741 4.855 1.00 0.00 H new HETATM 0 HHA HEM A 278 -15.404 -0.131 4.541 1.00 0.00 H new HETATM 0 HHB HEM A 278 -13.549 -6.217 3.870 1.00 0.00 H new HETATM 0 HHC HEM A 278 -7.811 -4.755 6.251 1.00 0.00 H new HETATM 0 HHD HEM A 278 -9.579 1.440 6.626 1.00 0.00 H new HETATM 0 HAB HEM A 278 -8.260 -7.325 6.689 1.00 0.00 H new HETATM 0 HAC HEM A 278 -7.894 0.866 8.778 1.00 0.00 H new