USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 532 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 130 HEMFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 154 HEMFE :(H bumps) USER MOD NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 130 HEMFE :(H bumps) USER MOD NoAdj-H: A 47 HIS HE2 : A 47 HIS NE2 : A 168 HEMFE :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 154 HEMFE :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 168 HEMFE :(H bumps) USER MOD Set 1.1: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 168 HEM CMA :methyl -30:sc= -0.908 (180deg=-1.54!) USER MOD Set 2.1: A 52 LYS NZ :NH3+ 151:sc= -2.63! (180deg=-4.42!) USER MOD Set 2.2: A 168 HEM CMC :methyl 150:sc= -7.8! (180deg=-7.8!) USER MOD Single : A 1 ALA N :NH3+ -139:sc= 0.0616 (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 10 ASN : amide:sc= -0.0679 X(o=-0.068,f=-0.23) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -3.68! C(o=-3.7!,f=-4.6!) 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+ -140:sc= -0.267 (180deg=-1.28!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0533) 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 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 130 HEM CMA :methyl 150:sc= -0.11 (180deg=-0.11) USER MOD Single : A 130 HEM CMB :methyl -30:sc= -1.14 (180deg=-3.97!) USER MOD Single : A 130 HEM CMC :methyl 150:sc= -0.353 (180deg=-0.353) USER MOD Single : A 130 HEM CMD :methyl 150:sc= -0.252 (180deg=-0.252) USER MOD Single : A 154 HEM CMA :methyl 150:sc= -0.175 (180deg=-0.175) USER MOD Single : A 154 HEM CMB :methyl 150:sc= -1.44 (180deg=-1.44) USER MOD Single : A 154 HEM CMC :methyl -30:sc= -7.62! (180deg=-8.04!) USER MOD Single : A 154 HEM CMD :methyl -30:sc= -0.156 (180deg=-0.403) USER MOD Single : A 168 HEM CMB :methyl -30:sc= -0.181 (180deg=-1.16) USER MOD Single : A 168 HEM CMD :methyl 150:sc= -1.56 (180deg=-1.56) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.451 13.928 2.397 1.00 0.00 N ATOM 2 CA ALA A 1 4.952 13.148 3.516 1.00 0.00 C ATOM 3 C ALA A 1 4.277 11.775 3.518 1.00 0.00 C ATOM 4 O ALA A 1 3.996 11.216 2.458 1.00 0.00 O ATOM 5 CB ALA A 1 4.717 13.915 4.819 1.00 0.00 C ATOM 0 H1 ALA A 1 5.237 14.447 1.956 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.019 13.292 1.696 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.737 14.604 2.737 1.00 0.00 H new ATOM 0 HA ALA A 1 6.026 12.987 3.421 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.093 13.330 5.658 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.241 14.870 4.779 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.649 14.092 4.949 1.00 0.00 H new ATOM 11 N ASP A 2 4.035 11.271 4.719 1.00 0.00 N ATOM 12 CA ASP A 2 3.398 9.974 4.872 1.00 0.00 C ATOM 13 C ASP A 2 2.332 9.803 3.788 1.00 0.00 C ATOM 14 O ASP A 2 2.172 8.715 3.237 1.00 0.00 O ATOM 15 CB ASP A 2 2.711 9.856 6.234 1.00 0.00 C ATOM 16 CG ASP A 2 3.067 10.956 7.236 1.00 0.00 C ATOM 17 OD1 ASP A 2 3.920 10.766 8.116 1.00 0.00 O ATOM 18 OD2 ASP A 2 2.419 12.061 7.086 1.00 0.00 O ATOM 0 H ASP A 2 4.269 11.737 5.596 1.00 0.00 H new ATOM 0 HA ASP A 2 4.169 9.208 4.789 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.632 9.860 6.081 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.967 8.891 6.671 1.00 0.00 H new ATOM 24 N ASP A 3 1.631 10.893 3.514 1.00 0.00 N ATOM 25 CA ASP A 3 0.586 10.877 2.506 1.00 0.00 C ATOM 26 C ASP A 3 1.222 10.758 1.120 1.00 0.00 C ATOM 27 O ASP A 3 1.967 11.640 0.697 1.00 0.00 O ATOM 28 CB ASP A 3 -0.233 12.170 2.541 1.00 0.00 C ATOM 29 CG ASP A 3 -0.160 12.946 3.857 1.00 0.00 C ATOM 30 OD1 ASP A 3 -1.022 12.796 4.735 1.00 0.00 O ATOM 31 OD2 ASP A 3 0.848 13.744 3.964 1.00 0.00 O ATOM 0 H ASP A 3 1.767 11.794 3.973 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.068 10.030 2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.107 12.820 1.734 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.276 11.927 2.337 1.00 0.00 H new ATOM 37 N ILE A 4 0.904 9.659 0.451 1.00 0.00 N ATOM 38 CA ILE A 4 1.434 9.413 -0.879 1.00 0.00 C ATOM 39 C ILE A 4 0.289 9.033 -1.819 1.00 0.00 C ATOM 40 O ILE A 4 -0.502 8.142 -1.511 1.00 0.00 O ATOM 41 CB ILE A 4 2.556 8.373 -0.824 1.00 0.00 C ATOM 42 CG1 ILE A 4 3.691 8.839 0.089 1.00 0.00 C ATOM 43 CG2 ILE A 4 3.054 8.030 -2.229 1.00 0.00 C ATOM 44 CD1 ILE A 4 4.899 7.906 -0.018 1.00 0.00 C ATOM 0 H ILE A 4 0.286 8.929 0.806 1.00 0.00 H new ATOM 0 HA ILE A 4 1.888 10.319 -1.281 1.00 0.00 H new ATOM 0 HB ILE A 4 2.152 7.457 -0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.986 9.853 -0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.342 8.871 1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.851 7.289 -2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.231 7.625 -2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.436 8.931 -2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.692 8.260 0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.607 6.898 0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.260 7.895 -1.046 1.00 0.00 H new ATOM 56 N VAL A 5 0.235 9.727 -2.946 1.00 0.00 N ATOM 57 CA VAL A 5 -0.801 9.473 -3.933 1.00 0.00 C ATOM 58 C VAL A 5 -0.241 8.569 -5.033 1.00 0.00 C ATOM 59 O VAL A 5 0.736 8.919 -5.692 1.00 0.00 O ATOM 60 CB VAL A 5 -1.349 10.797 -4.469 1.00 0.00 C ATOM 61 CG1 VAL A 5 -2.372 10.557 -5.581 1.00 0.00 C ATOM 62 CG2 VAL A 5 -1.951 11.638 -3.341 1.00 0.00 C ATOM 0 H VAL A 5 0.892 10.465 -3.198 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.642 8.949 -3.478 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.516 11.356 -4.896 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.746 11.514 -5.944 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.898 10.018 -6.401 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.202 9.968 -5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.333 12.574 -3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.766 11.087 -2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.183 11.853 -2.598 1.00 0.00 H new ATOM 72 N LEU A 6 -0.885 7.422 -5.197 1.00 0.00 N ATOM 73 CA LEU A 6 -0.463 6.465 -6.206 1.00 0.00 C ATOM 74 C LEU A 6 -1.349 6.614 -7.445 1.00 0.00 C ATOM 75 O LEU A 6 -2.455 6.077 -7.490 1.00 0.00 O ATOM 76 CB LEU A 6 -0.448 5.049 -5.627 1.00 0.00 C ATOM 77 CG LEU A 6 0.509 4.812 -4.457 1.00 0.00 C ATOM 78 CD1 LEU A 6 0.156 3.524 -3.712 1.00 0.00 C ATOM 79 CD2 LEU A 6 1.964 4.822 -4.928 1.00 0.00 C ATOM 0 H LEU A 6 -1.695 7.134 -4.648 1.00 0.00 H new ATOM 0 HA LEU A 6 0.561 6.667 -6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.458 4.801 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.192 4.354 -6.426 1.00 0.00 H new ATOM 0 HG LEU A 6 0.394 5.634 -3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.852 3.380 -2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.860 3.595 -3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.224 2.678 -4.396 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.623 4.651 -4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.113 4.034 -5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.194 5.788 -5.377 1.00 0.00 H new ATOM 91 N LYS A 7 -0.828 7.344 -8.420 1.00 0.00 N ATOM 92 CA LYS A 7 -1.558 7.570 -9.656 1.00 0.00 C ATOM 93 C LYS A 7 -2.045 6.229 -10.208 1.00 0.00 C ATOM 94 O LYS A 7 -1.288 5.260 -10.252 1.00 0.00 O ATOM 95 CB LYS A 7 -0.704 8.368 -10.644 1.00 0.00 C ATOM 96 CG LYS A 7 0.560 7.595 -11.025 1.00 0.00 C ATOM 97 CD LYS A 7 1.782 8.142 -10.284 1.00 0.00 C ATOM 98 CE LYS A 7 2.211 7.197 -9.160 1.00 0.00 C ATOM 99 NZ LYS A 7 3.578 6.685 -9.406 1.00 0.00 N ATOM 0 H LYS A 7 0.090 7.786 -8.379 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.443 8.179 -9.470 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.286 8.585 -11.540 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.429 9.326 -10.202 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.430 6.539 -10.789 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.722 7.663 -12.101 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.606 8.277 -10.985 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.551 9.124 -9.870 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.179 7.721 -8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.511 6.364 -9.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.853 6.045 -8.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.598 6.168 -10.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.245 7.482 -9.449 1.00 0.00 H new ATOM 112 N ALA A 8 -3.306 6.215 -10.615 1.00 0.00 N ATOM 113 CA ALA A 8 -3.903 5.009 -11.163 1.00 0.00 C ATOM 114 C ALA A 8 -4.885 5.390 -12.273 1.00 0.00 C ATOM 115 O ALA A 8 -5.680 6.314 -12.113 1.00 0.00 O ATOM 116 CB ALA A 8 -4.572 4.215 -10.039 1.00 0.00 C ATOM 0 H ALA A 8 -3.931 7.020 -10.576 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.139 4.369 -11.605 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.020 3.310 -10.450 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.826 3.944 -9.292 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.347 4.825 -9.574 1.00 0.00 H new ATOM 122 N LYS A 9 -4.797 4.657 -13.373 1.00 0.00 N ATOM 123 CA LYS A 9 -5.668 4.906 -14.509 1.00 0.00 C ATOM 124 C LYS A 9 -7.093 4.472 -14.158 1.00 0.00 C ATOM 125 O LYS A 9 -8.021 4.690 -14.936 1.00 0.00 O ATOM 126 CB LYS A 9 -5.114 4.235 -15.767 1.00 0.00 C ATOM 127 CG LYS A 9 -5.243 2.713 -15.679 1.00 0.00 C ATOM 128 CD LYS A 9 -5.727 2.125 -17.006 1.00 0.00 C ATOM 129 CE LYS A 9 -6.197 0.680 -16.827 1.00 0.00 C ATOM 130 NZ LYS A 9 -5.402 -0.232 -17.680 1.00 0.00 N ATOM 0 H LYS A 9 -4.136 3.891 -13.502 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.704 5.972 -14.734 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.650 4.599 -16.644 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.067 4.508 -15.898 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.279 2.278 -15.414 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.941 2.449 -14.884 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.543 2.730 -17.400 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.921 2.161 -17.739 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.100 0.387 -15.782 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.253 0.600 -17.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.733 -1.209 -17.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.515 0.039 -18.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.398 -0.168 -17.415 1.00 0.00 H new ATOM 143 N ASN A 10 -7.222 3.867 -12.987 1.00 0.00 N ATOM 144 CA ASN A 10 -8.518 3.401 -12.524 1.00 0.00 C ATOM 145 C ASN A 10 -8.828 4.035 -11.166 1.00 0.00 C ATOM 146 O ASN A 10 -9.497 3.428 -10.332 1.00 0.00 O ATOM 147 CB ASN A 10 -8.527 1.882 -12.349 1.00 0.00 C ATOM 148 CG ASN A 10 -9.814 1.273 -12.909 1.00 0.00 C ATOM 149 OD1 ASN A 10 -10.238 1.562 -14.016 1.00 0.00 O ATOM 150 ND2 ASN A 10 -10.411 0.416 -12.084 1.00 0.00 N ATOM 0 H ASN A 10 -6.450 3.689 -12.344 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.263 3.683 -13.268 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.665 1.449 -12.856 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.433 1.634 -11.292 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.277 -0.044 -12.365 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.002 0.219 -11.170 1.00 0.00 H new ATOM 157 N GLY A 11 -8.325 5.248 -10.986 1.00 0.00 N ATOM 158 CA GLY A 11 -8.540 5.970 -9.744 1.00 0.00 C ATOM 159 C GLY A 11 -7.291 5.925 -8.861 1.00 0.00 C ATOM 160 O GLY A 11 -6.773 4.849 -8.565 1.00 0.00 O ATOM 0 H GLY A 11 -7.769 5.748 -11.680 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.799 7.006 -9.962 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.384 5.536 -9.208 1.00 0.00 H new ATOM 164 N ASP A 12 -6.842 7.108 -8.465 1.00 0.00 N ATOM 165 CA ASP A 12 -5.664 7.217 -7.622 1.00 0.00 C ATOM 166 C ASP A 12 -5.927 6.510 -6.291 1.00 0.00 C ATOM 167 O ASP A 12 -7.077 6.349 -5.886 1.00 0.00 O ATOM 168 CB ASP A 12 -5.334 8.681 -7.323 1.00 0.00 C ATOM 169 CG ASP A 12 -6.359 9.409 -6.450 1.00 0.00 C ATOM 170 OD1 ASP A 12 -6.817 8.879 -5.427 1.00 0.00 O ATOM 171 OD2 ASP A 12 -6.689 10.585 -6.864 1.00 0.00 O ATOM 0 H ASP A 12 -7.273 7.999 -8.713 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.828 6.760 -8.151 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.363 8.726 -6.831 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.238 9.216 -8.268 1.00 0.00 H new ATOM 177 N VAL A 13 -4.841 6.107 -5.647 1.00 0.00 N ATOM 178 CA VAL A 13 -4.940 5.421 -4.370 1.00 0.00 C ATOM 179 C VAL A 13 -4.218 6.241 -3.298 1.00 0.00 C ATOM 180 O VAL A 13 -3.032 6.538 -3.434 1.00 0.00 O ATOM 181 CB VAL A 13 -4.400 3.996 -4.498 1.00 0.00 C ATOM 182 CG1 VAL A 13 -4.534 3.238 -3.175 1.00 0.00 C ATOM 183 CG2 VAL A 13 -5.097 3.245 -5.634 1.00 0.00 C ATOM 0 H VAL A 13 -3.889 6.242 -5.986 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.982 5.332 -4.064 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.339 4.060 -4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.143 2.228 -3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.970 3.757 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.585 3.189 -2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.694 2.235 -5.703 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.168 3.196 -5.435 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.927 3.769 -6.575 1.00 0.00 H new ATOM 193 N LYS A 14 -4.963 6.582 -2.257 1.00 0.00 N ATOM 194 CA LYS A 14 -4.409 7.361 -1.163 1.00 0.00 C ATOM 195 C LYS A 14 -3.792 6.415 -0.130 1.00 0.00 C ATOM 196 O LYS A 14 -4.509 5.701 0.569 1.00 0.00 O ATOM 197 CB LYS A 14 -5.469 8.299 -0.582 1.00 0.00 C ATOM 198 CG LYS A 14 -4.825 9.387 0.279 1.00 0.00 C ATOM 199 CD LYS A 14 -4.207 8.791 1.545 1.00 0.00 C ATOM 200 CE LYS A 14 -3.932 9.878 2.586 1.00 0.00 C ATOM 201 NZ LYS A 14 -4.781 9.677 3.782 1.00 0.00 N ATOM 0 H LYS A 14 -5.946 6.333 -2.148 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.608 8.007 -1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.036 8.759 -1.391 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.177 7.727 0.018 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.057 9.904 -0.296 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.574 10.131 0.551 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.879 8.043 1.965 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.278 8.280 1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.880 9.858 2.872 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.127 10.860 2.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.582 10.423 4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.783 9.718 3.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.575 8.748 4.202 1.00 0.00 H new ATOM 214 N PHE A 15 -2.469 6.441 -0.067 1.00 0.00 N ATOM 215 CA PHE A 15 -1.748 5.595 0.868 1.00 0.00 C ATOM 216 C PHE A 15 -1.104 6.428 1.978 1.00 0.00 C ATOM 217 O PHE A 15 -0.313 7.337 1.736 1.00 0.00 O ATOM 218 CB PHE A 15 -0.647 4.887 0.075 1.00 0.00 C ATOM 219 CG PHE A 15 0.251 3.986 0.924 1.00 0.00 C ATOM 220 CD1 PHE A 15 -0.293 2.969 1.645 1.00 0.00 C ATOM 221 CD2 PHE A 15 1.593 4.202 0.959 1.00 0.00 C ATOM 222 CE1 PHE A 15 0.541 2.133 2.434 1.00 0.00 C ATOM 223 CE2 PHE A 15 2.427 3.366 1.747 1.00 0.00 C ATOM 224 CZ PHE A 15 1.883 2.349 2.468 1.00 0.00 C ATOM 0 H PHE A 15 -1.878 7.035 -0.648 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.434 4.887 1.333 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.108 4.287 -0.710 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.029 5.637 -0.418 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.359 2.797 1.617 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.025 5.010 0.387 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.109 1.326 3.007 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.493 3.537 1.774 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.517 1.713 3.068 1.00 0.00 H new ATOM 234 N PRO A 16 -1.467 6.093 3.218 1.00 0.00 N ATOM 235 CA PRO A 16 -0.981 6.746 4.415 1.00 0.00 C ATOM 236 C PRO A 16 0.324 6.098 4.856 1.00 0.00 C ATOM 237 O PRO A 16 0.279 5.107 5.582 1.00 0.00 O ATOM 238 CB PRO A 16 -2.079 6.527 5.453 1.00 0.00 C ATOM 239 CG PRO A 16 -2.625 5.148 5.043 1.00 0.00 C ATOM 240 CD PRO A 16 -2.395 5.030 3.539 1.00 0.00 C ATOM 0 HA PRO A 16 -0.776 7.806 4.267 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.687 6.526 6.470 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.845 7.301 5.408 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.111 4.350 5.579 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.685 5.062 5.283 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.984 4.055 3.278 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.328 5.141 2.987 1.00 0.00 H new ATOM 248 N HIS A 17 1.442 6.658 4.417 1.00 0.00 N ATOM 249 CA HIS A 17 2.741 6.116 4.778 1.00 0.00 C ATOM 250 C HIS A 17 3.101 6.551 6.200 1.00 0.00 C ATOM 251 O HIS A 17 4.189 7.074 6.436 1.00 0.00 O ATOM 252 CB HIS A 17 3.801 6.515 3.749 1.00 0.00 C ATOM 253 CG HIS A 17 5.155 5.891 3.988 1.00 0.00 C ATOM 254 ND1 HIS A 17 6.022 6.333 4.972 1.00 0.00 N ATOM 255 CD2 HIS A 17 5.781 4.853 3.362 1.00 0.00 C ATOM 256 CE1 HIS A 17 7.117 5.589 4.930 1.00 0.00 C ATOM 257 NE2 HIS A 17 6.966 4.673 3.931 1.00 0.00 N ATOM 0 H HIS A 17 1.475 7.481 3.815 1.00 0.00 H new ATOM 0 HA HIS A 17 2.701 5.027 4.768 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.453 6.233 2.756 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.907 7.600 3.753 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.847 7.101 5.620 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.380 4.276 2.542 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.978 5.690 5.574 1.00 0.00 H new ATOM 265 N LYS A 18 2.167 6.320 7.110 1.00 0.00 N ATOM 266 CA LYS A 18 2.372 6.681 8.502 1.00 0.00 C ATOM 267 C LYS A 18 1.776 5.595 9.400 1.00 0.00 C ATOM 268 O LYS A 18 2.507 4.880 10.084 1.00 0.00 O ATOM 269 CB LYS A 18 1.819 8.080 8.780 1.00 0.00 C ATOM 270 CG LYS A 18 1.289 8.187 10.211 1.00 0.00 C ATOM 271 CD LYS A 18 1.158 9.649 10.640 1.00 0.00 C ATOM 272 CE LYS A 18 -0.049 9.845 11.561 1.00 0.00 C ATOM 273 NZ LYS A 18 0.386 10.334 12.888 1.00 0.00 N ATOM 0 H LYS A 18 1.265 5.887 6.910 1.00 0.00 H new ATOM 0 HA LYS A 18 3.437 6.733 8.728 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.602 8.822 8.622 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.019 8.305 8.075 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.319 7.696 10.281 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.961 7.664 10.891 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.067 9.964 11.153 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.054 10.282 9.759 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.743 10.557 11.114 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.586 8.903 11.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.445 10.462 13.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.031 9.641 13.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.878 11.244 12.779 1.00 0.00 H new ATOM 286 N ALA A 19 0.455 5.506 9.369 1.00 0.00 N ATOM 287 CA ALA A 19 -0.248 4.519 10.171 1.00 0.00 C ATOM 288 C ALA A 19 0.320 3.129 9.875 1.00 0.00 C ATOM 289 O ALA A 19 0.244 2.233 10.713 1.00 0.00 O ATOM 290 CB ALA A 19 -1.749 4.607 9.890 1.00 0.00 C ATOM 0 H ALA A 19 -0.148 6.101 8.801 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.103 4.715 11.233 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.276 3.866 10.492 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.109 5.604 10.144 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.933 4.413 8.833 1.00 0.00 H new ATOM 296 N HIS A 20 0.876 2.995 8.680 1.00 0.00 N ATOM 297 CA HIS A 20 1.456 1.730 8.263 1.00 0.00 C ATOM 298 C HIS A 20 2.809 1.534 8.951 1.00 0.00 C ATOM 299 O HIS A 20 3.464 0.511 8.759 1.00 0.00 O ATOM 300 CB HIS A 20 1.551 1.652 6.738 1.00 0.00 C ATOM 301 CG HIS A 20 0.245 1.314 6.058 1.00 0.00 C ATOM 302 ND1 HIS A 20 -0.679 2.275 5.689 1.00 0.00 N ATOM 303 CD2 HIS A 20 -0.280 0.111 5.685 1.00 0.00 C ATOM 304 CE1 HIS A 20 -1.710 1.668 5.121 1.00 0.00 C ATOM 305 NE2 HIS A 20 -1.461 0.327 5.120 1.00 0.00 N ATOM 0 H HIS A 20 0.937 3.741 7.988 1.00 0.00 H new ATOM 0 HA HIS A 20 0.808 0.910 8.571 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.910 2.608 6.357 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.294 0.902 6.468 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -0.583 3.281 5.830 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.186 -0.853 5.826 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.593 2.150 4.728 1.00 0.00 H new ATOM 313 N GLN A 21 3.185 2.530 9.739 1.00 0.00 N ATOM 314 CA GLN A 21 4.448 2.480 10.457 1.00 0.00 C ATOM 315 C GLN A 21 4.237 1.915 11.863 1.00 0.00 C ATOM 316 O GLN A 21 4.922 0.978 12.269 1.00 0.00 O ATOM 317 CB GLN A 21 5.101 3.862 10.514 1.00 0.00 C ATOM 318 CG GLN A 21 5.435 4.370 9.110 1.00 0.00 C ATOM 319 CD GLN A 21 5.652 5.884 9.111 1.00 0.00 C ATOM 320 OE1 GLN A 21 5.324 6.583 10.055 1.00 0.00 O ATOM 321 NE2 GLN A 21 6.222 6.350 8.003 1.00 0.00 N ATOM 0 H GLN A 21 2.638 3.376 9.896 1.00 0.00 H new ATOM 0 HA GLN A 21 5.124 1.817 9.918 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.430 4.565 11.009 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.010 3.814 11.113 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.332 3.871 8.743 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.626 4.116 8.425 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.472 5.709 7.250 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.409 7.348 7.907 1.00 0.00 H new ATOM 330 N LYS A 22 3.285 2.509 12.568 1.00 0.00 N ATOM 331 CA LYS A 22 2.975 2.076 13.920 1.00 0.00 C ATOM 332 C LYS A 22 2.355 0.678 13.874 1.00 0.00 C ATOM 333 O LYS A 22 2.459 -0.083 14.835 1.00 0.00 O ATOM 334 CB LYS A 22 2.101 3.114 14.628 1.00 0.00 C ATOM 335 CG LYS A 22 2.908 4.366 14.975 1.00 0.00 C ATOM 336 CD LYS A 22 3.320 4.362 16.448 1.00 0.00 C ATOM 337 CE LYS A 22 2.878 5.650 17.145 1.00 0.00 C ATOM 338 NZ LYS A 22 3.683 5.882 18.365 1.00 0.00 N ATOM 0 H LYS A 22 2.718 3.286 12.228 1.00 0.00 H new ATOM 0 HA LYS A 22 3.886 2.001 14.514 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.261 3.384 13.988 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.683 2.683 15.538 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.796 4.416 14.345 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.315 5.256 14.762 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.877 3.502 16.951 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.402 4.255 16.526 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.987 6.494 16.464 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.822 5.585 17.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.370 6.760 18.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.558 5.084 19.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.687 5.965 18.108 1.00 0.00 H new ATOM 351 N ALA A 23 1.724 0.382 12.748 1.00 0.00 N ATOM 352 CA ALA A 23 1.087 -0.911 12.564 1.00 0.00 C ATOM 353 C ALA A 23 2.135 -1.931 12.113 1.00 0.00 C ATOM 354 O ALA A 23 2.001 -3.124 12.382 1.00 0.00 O ATOM 355 CB ALA A 23 -0.063 -0.776 11.564 1.00 0.00 C ATOM 0 H ALA A 23 1.640 1.016 11.953 1.00 0.00 H new ATOM 0 HA ALA A 23 0.663 -1.267 13.503 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.541 -1.746 11.426 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.794 -0.062 11.944 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.325 -0.424 10.608 1.00 0.00 H new ATOM 361 N VAL A 24 3.155 -1.424 11.436 1.00 0.00 N ATOM 362 CA VAL A 24 4.224 -2.277 10.945 1.00 0.00 C ATOM 363 C VAL A 24 5.567 -1.570 11.148 1.00 0.00 C ATOM 364 O VAL A 24 6.290 -1.261 10.204 1.00 0.00 O ATOM 365 CB VAL A 24 3.963 -2.658 9.487 1.00 0.00 C ATOM 366 CG1 VAL A 24 5.059 -3.585 8.958 1.00 0.00 C ATOM 367 CG2 VAL A 24 2.581 -3.294 9.325 1.00 0.00 C ATOM 0 H VAL A 24 3.264 -0.434 11.216 1.00 0.00 H new ATOM 0 HA VAL A 24 4.258 -3.210 11.508 1.00 0.00 H new ATOM 0 HB VAL A 24 3.982 -1.744 8.893 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.849 -3.841 7.919 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.023 -3.081 9.020 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.086 -4.495 9.557 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.421 -3.555 8.279 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.521 -4.194 9.937 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.815 -2.587 9.643 1.00 0.00 H new ATOM 377 N PRO A 25 5.886 -1.319 12.419 1.00 0.00 N ATOM 378 CA PRO A 25 7.105 -0.663 12.840 1.00 0.00 C ATOM 379 C PRO A 25 8.272 -1.169 12.004 1.00 0.00 C ATOM 380 O PRO A 25 9.243 -0.434 11.833 1.00 0.00 O ATOM 381 CB PRO A 25 7.273 -1.052 14.307 1.00 0.00 C ATOM 382 CG PRO A 25 5.833 -1.175 14.774 1.00 0.00 C ATOM 383 CD PRO A 25 5.058 -1.669 13.554 1.00 0.00 C ATOM 0 HA PRO A 25 7.069 0.419 12.715 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.819 -1.989 14.420 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.820 -0.295 14.869 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.747 -1.875 15.605 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.449 -0.217 15.123 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.889 -2.745 13.603 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.079 -1.195 13.490 1.00 0.00 H new ATOM 391 N ASP A 26 8.160 -2.393 11.508 1.00 0.00 N ATOM 392 CA ASP A 26 9.218 -2.971 10.697 1.00 0.00 C ATOM 393 C ASP A 26 9.136 -2.405 9.279 1.00 0.00 C ATOM 394 O ASP A 26 8.174 -2.666 8.557 1.00 0.00 O ATOM 395 CB ASP A 26 9.076 -4.492 10.609 1.00 0.00 C ATOM 396 CG ASP A 26 10.130 -5.191 9.749 1.00 0.00 C ATOM 397 OD1 ASP A 26 11.021 -4.544 9.178 1.00 0.00 O ATOM 398 OD2 ASP A 26 10.010 -6.473 9.675 1.00 0.00 O ATOM 0 H ASP A 26 7.353 -3.000 11.652 1.00 0.00 H new ATOM 0 HA ASP A 26 10.172 -2.724 11.163 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.119 -4.905 11.617 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.089 -4.727 10.210 1.00 0.00 H new ATOM 404 N CYS A 27 10.157 -1.640 8.920 1.00 0.00 N ATOM 405 CA CYS A 27 10.211 -1.035 7.600 1.00 0.00 C ATOM 406 C CYS A 27 10.807 -2.055 6.628 1.00 0.00 C ATOM 407 O CYS A 27 10.696 -1.899 5.413 1.00 0.00 O ATOM 408 CB CYS A 27 11.004 0.274 7.611 1.00 0.00 C ATOM 409 SG CYS A 27 10.821 1.270 9.135 1.00 0.00 S ATOM 0 H CYS A 27 10.953 -1.425 9.520 1.00 0.00 H new ATOM 0 HA CYS A 27 9.204 -0.772 7.276 1.00 0.00 H new ATOM 0 HB2 CYS A 27 12.060 0.044 7.469 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.692 0.878 6.759 1.00 0.00 H new ATOM 414 N LYS A 28 11.426 -3.078 7.200 1.00 0.00 N ATOM 415 CA LYS A 28 12.039 -4.124 6.399 1.00 0.00 C ATOM 416 C LYS A 28 10.950 -5.055 5.864 1.00 0.00 C ATOM 417 O LYS A 28 11.232 -5.961 5.080 1.00 0.00 O ATOM 418 CB LYS A 28 13.125 -4.845 7.200 1.00 0.00 C ATOM 419 CG LYS A 28 14.141 -3.849 7.766 1.00 0.00 C ATOM 420 CD LYS A 28 15.531 -4.479 7.862 1.00 0.00 C ATOM 421 CE LYS A 28 15.888 -4.801 9.315 1.00 0.00 C ATOM 422 NZ LYS A 28 15.360 -6.130 9.696 1.00 0.00 N ATOM 0 H LYS A 28 11.516 -3.204 8.208 1.00 0.00 H new ATOM 0 HA LYS A 28 12.545 -3.694 5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.668 -5.407 8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.635 -5.567 6.561 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.182 -2.965 7.130 1.00 0.00 H new ATOM 0 HG3 LYS A 28 13.819 -3.517 8.753 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.563 -5.391 7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.272 -3.798 7.444 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.970 -4.783 9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.477 -4.037 9.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.611 -6.333 10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.325 -6.135 9.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.772 -6.858 9.078 1.00 0.00 H new ATOM 435 N LYS A 29 9.728 -4.801 6.308 1.00 0.00 N ATOM 436 CA LYS A 29 8.595 -5.606 5.883 1.00 0.00 C ATOM 437 C LYS A 29 8.337 -5.370 4.393 1.00 0.00 C ATOM 438 O LYS A 29 8.247 -6.320 3.618 1.00 0.00 O ATOM 439 CB LYS A 29 7.378 -5.328 6.769 1.00 0.00 C ATOM 440 CG LYS A 29 7.265 -6.367 7.886 1.00 0.00 C ATOM 441 CD LYS A 29 6.785 -7.712 7.337 1.00 0.00 C ATOM 442 CE LYS A 29 5.479 -8.143 8.008 1.00 0.00 C ATOM 443 NZ LYS A 29 4.338 -7.964 7.082 1.00 0.00 N ATOM 0 H LYS A 29 9.497 -4.049 6.958 1.00 0.00 H new ATOM 0 HA LYS A 29 8.814 -6.667 6.005 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.459 -4.331 7.202 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.472 -5.340 6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.233 -6.493 8.370 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.571 -6.013 8.648 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.637 -7.637 6.260 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.550 -8.470 7.502 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.547 -9.187 8.313 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.317 -7.556 8.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.519 -7.595 7.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.601 -7.292 6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.091 -8.879 6.654 1.00 0.00 H new ATOM 456 N CYS A 30 8.227 -4.098 4.038 1.00 0.00 N ATOM 457 CA CYS A 30 7.982 -3.726 2.655 1.00 0.00 C ATOM 458 C CYS A 30 9.326 -3.405 1.999 1.00 0.00 C ATOM 459 O CYS A 30 9.656 -3.959 0.951 1.00 0.00 O ATOM 460 CB CYS A 30 7.001 -2.556 2.550 1.00 0.00 C ATOM 461 SG CYS A 30 5.580 -2.827 3.670 1.00 0.00 S ATOM 0 H CYS A 30 8.303 -3.312 4.684 1.00 0.00 H new ATOM 0 HA CYS A 30 7.512 -4.557 2.129 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.505 -1.624 2.807 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.651 -2.456 1.523 1.00 0.00 H new ATOM 466 N HIS A 31 10.065 -2.513 2.642 1.00 0.00 N ATOM 467 CA HIS A 31 11.365 -2.113 2.133 1.00 0.00 C ATOM 468 C HIS A 31 12.365 -3.256 2.322 1.00 0.00 C ATOM 469 O HIS A 31 12.851 -3.483 3.429 1.00 0.00 O ATOM 470 CB HIS A 31 11.826 -0.808 2.786 1.00 0.00 C ATOM 471 CG HIS A 31 10.902 0.361 2.542 1.00 0.00 C ATOM 472 ND1 HIS A 31 10.663 0.876 1.280 1.00 0.00 N ATOM 473 CD2 HIS A 31 10.161 1.108 3.409 1.00 0.00 C ATOM 474 CE1 HIS A 31 9.815 1.888 1.395 1.00 0.00 C ATOM 475 NE2 HIS A 31 9.506 2.031 2.715 1.00 0.00 N ATOM 0 H HIS A 31 9.788 -2.056 3.511 1.00 0.00 H new ATOM 0 HA HIS A 31 11.294 -1.912 1.064 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.920 -0.965 3.860 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.819 -0.557 2.412 1.00 0.00 H new ATOM 0 HD1 HIS A 31 11.070 0.535 0.409 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.115 0.972 4.479 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.435 2.493 0.585 1.00 0.00 H new ATOM 483 N GLU A 32 12.642 -3.945 1.225 1.00 0.00 N ATOM 484 CA GLU A 32 13.574 -5.058 1.256 1.00 0.00 C ATOM 485 C GLU A 32 15.012 -4.550 1.137 1.00 0.00 C ATOM 486 O GLU A 32 15.874 -4.923 1.931 1.00 0.00 O ATOM 487 CB GLU A 32 13.257 -6.070 0.154 1.00 0.00 C ATOM 488 CG GLU A 32 12.283 -7.139 0.654 1.00 0.00 C ATOM 489 CD GLU A 32 13.022 -8.244 1.411 1.00 0.00 C ATOM 490 OE1 GLU A 32 13.955 -8.852 0.866 1.00 0.00 O ATOM 491 OE2 GLU A 32 12.597 -8.462 2.609 1.00 0.00 O ATOM 0 H GLU A 32 12.237 -3.753 0.309 1.00 0.00 H new ATOM 0 HA GLU A 32 13.468 -5.568 2.213 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.827 -5.555 -0.705 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.178 -6.543 -0.186 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.539 -6.682 1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.745 -7.569 -0.191 1.00 0.00 H new ATOM 499 N LYS A 33 15.227 -3.706 0.138 1.00 0.00 N ATOM 500 CA LYS A 33 16.546 -3.143 -0.096 1.00 0.00 C ATOM 501 C LYS A 33 16.672 -1.820 0.662 1.00 0.00 C ATOM 502 O LYS A 33 17.373 -0.911 0.219 1.00 0.00 O ATOM 503 CB LYS A 33 16.818 -3.021 -1.596 1.00 0.00 C ATOM 504 CG LYS A 33 16.819 -4.396 -2.267 1.00 0.00 C ATOM 505 CD LYS A 33 17.966 -4.515 -3.272 1.00 0.00 C ATOM 506 CE LYS A 33 17.456 -4.362 -4.707 1.00 0.00 C ATOM 507 NZ LYS A 33 17.520 -2.945 -5.130 1.00 0.00 N ATOM 0 H LYS A 33 14.510 -3.399 -0.519 1.00 0.00 H new ATOM 0 HA LYS A 33 17.318 -3.808 0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.059 -2.388 -2.056 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.780 -2.534 -1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.912 -5.174 -1.509 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.868 -4.558 -2.774 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.716 -3.751 -3.065 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.456 -5.482 -3.157 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.055 -4.976 -5.380 1.00 0.00 H new ATOM 0 HE3 LYS A 33 16.430 -4.722 -4.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.171 -2.858 -6.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.930 -2.367 -4.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 18.505 -2.613 -5.084 1.00 0.00 H new ATOM 520 N GLY A 34 15.982 -1.753 1.791 1.00 0.00 N ATOM 521 CA GLY A 34 16.008 -0.556 2.614 1.00 0.00 C ATOM 522 C GLY A 34 14.966 0.459 2.139 1.00 0.00 C ATOM 523 O GLY A 34 14.343 0.313 1.090 1.00 0.00 O ATOM 0 H GLY A 34 15.401 -2.508 2.155 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.815 -0.821 3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 34 17.001 -0.107 2.578 1.00 0.00 H new ATOM 527 N PRO A 35 14.788 1.506 2.948 1.00 0.00 N ATOM 528 CA PRO A 35 13.856 2.584 2.695 1.00 0.00 C ATOM 529 C PRO A 35 14.130 3.183 1.323 1.00 0.00 C ATOM 530 O PRO A 35 15.296 3.313 0.954 1.00 0.00 O ATOM 531 CB PRO A 35 14.126 3.602 3.801 1.00 0.00 C ATOM 532 CG PRO A 35 15.566 3.224 4.365 1.00 0.00 C ATOM 533 CD PRO A 35 15.503 1.709 4.190 1.00 0.00 C ATOM 0 HA PRO A 35 12.816 2.256 2.698 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.109 4.620 3.413 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.369 3.546 4.583 1.00 0.00 H new ATOM 0 HG2 PRO A 35 16.375 3.680 3.794 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.702 3.522 5.405 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.502 1.275 4.146 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.986 1.236 5.025 1.00 0.00 H new ATOM 541 N GLY A 36 13.072 3.529 0.605 1.00 0.00 N ATOM 542 CA GLY A 36 13.224 4.109 -0.719 1.00 0.00 C ATOM 543 C GLY A 36 12.151 3.581 -1.675 1.00 0.00 C ATOM 544 O GLY A 36 11.154 3.008 -1.239 1.00 0.00 O ATOM 0 H GLY A 36 12.106 3.419 0.915 1.00 0.00 H new ATOM 0 HA2 GLY A 36 13.156 5.195 -0.654 1.00 0.00 H new ATOM 0 HA3 GLY A 36 14.213 3.874 -1.112 1.00 0.00 H new ATOM 548 N LYS A 37 12.393 3.793 -2.960 1.00 0.00 N ATOM 549 CA LYS A 37 11.461 3.346 -3.981 1.00 0.00 C ATOM 550 C LYS A 37 11.529 1.821 -4.095 1.00 0.00 C ATOM 551 O LYS A 37 12.571 1.222 -3.834 1.00 0.00 O ATOM 552 CB LYS A 37 11.722 4.074 -5.301 1.00 0.00 C ATOM 553 CG LYS A 37 10.978 5.410 -5.347 1.00 0.00 C ATOM 554 CD LYS A 37 11.945 6.582 -5.169 1.00 0.00 C ATOM 555 CE LYS A 37 12.016 7.432 -6.439 1.00 0.00 C ATOM 556 NZ LYS A 37 10.746 8.163 -6.645 1.00 0.00 N ATOM 0 H LYS A 37 13.221 4.269 -3.318 1.00 0.00 H new ATOM 0 HA LYS A 37 10.439 3.600 -3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.792 4.245 -5.421 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.404 3.448 -6.135 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.455 5.507 -6.298 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.221 5.436 -4.563 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.623 7.200 -4.331 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.938 6.205 -4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.842 8.140 -6.364 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.219 6.795 -7.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.893 8.927 -7.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.022 7.507 -7.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.429 8.569 -5.742 1.00 0.00 H new ATOM 569 N ILE A 38 10.405 1.238 -4.485 1.00 0.00 N ATOM 570 CA ILE A 38 10.324 -0.204 -4.637 1.00 0.00 C ATOM 571 C ILE A 38 10.273 -0.554 -6.126 1.00 0.00 C ATOM 572 O ILE A 38 9.349 -0.149 -6.831 1.00 0.00 O ATOM 573 CB ILE A 38 9.149 -0.763 -3.833 1.00 0.00 C ATOM 574 CG1 ILE A 38 9.233 -0.333 -2.367 1.00 0.00 C ATOM 575 CG2 ILE A 38 9.056 -2.283 -3.980 1.00 0.00 C ATOM 576 CD1 ILE A 38 7.927 -0.636 -1.630 1.00 0.00 C ATOM 0 H ILE A 38 9.543 1.739 -4.700 1.00 0.00 H new ATOM 0 HA ILE A 38 11.215 -0.680 -4.228 1.00 0.00 H new ATOM 0 HB ILE A 38 8.228 -0.344 -4.239 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.058 -0.851 -1.879 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.448 0.734 -2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.212 -2.654 -3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.913 -2.539 -5.030 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.976 -2.741 -3.617 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.014 -0.320 -0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.107 -0.097 -2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.727 -1.707 -1.669 1.00 0.00 H new ATOM 588 N GLU A 39 11.275 -1.303 -6.561 1.00 0.00 N ATOM 589 CA GLU A 39 11.356 -1.712 -7.952 1.00 0.00 C ATOM 590 C GLU A 39 10.517 -2.970 -8.186 1.00 0.00 C ATOM 591 O GLU A 39 10.590 -3.921 -7.409 1.00 0.00 O ATOM 592 CB GLU A 39 12.809 -1.935 -8.375 1.00 0.00 C ATOM 593 CG GLU A 39 13.590 -0.620 -8.370 1.00 0.00 C ATOM 594 CD GLU A 39 14.099 -0.290 -6.965 1.00 0.00 C ATOM 595 OE1 GLU A 39 14.586 -1.184 -6.257 1.00 0.00 O ATOM 596 OE2 GLU A 39 13.977 0.945 -6.616 1.00 0.00 O ATOM 0 H GLU A 39 12.039 -1.638 -5.973 1.00 0.00 H new ATOM 0 HA GLU A 39 10.952 -0.910 -8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.283 -2.646 -7.699 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.838 -2.375 -9.372 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.432 -0.690 -9.059 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.952 0.188 -8.728 1.00 0.00 H new ATOM 604 N GLY A 40 9.740 -2.934 -9.258 1.00 0.00 N ATOM 605 CA GLY A 40 8.888 -4.060 -9.603 1.00 0.00 C ATOM 606 C GLY A 40 7.431 -3.778 -9.233 1.00 0.00 C ATOM 607 O GLY A 40 6.516 -4.176 -9.953 1.00 0.00 O ATOM 0 H GLY A 40 9.682 -2.143 -9.899 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.963 -4.263 -10.671 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.233 -4.954 -9.083 1.00 0.00 H new ATOM 611 N PHE A 41 7.260 -3.095 -8.111 1.00 0.00 N ATOM 612 CA PHE A 41 5.929 -2.755 -7.637 1.00 0.00 C ATOM 613 C PHE A 41 5.008 -2.390 -8.802 1.00 0.00 C ATOM 614 O PHE A 41 5.479 -2.051 -9.887 1.00 0.00 O ATOM 615 CB PHE A 41 6.077 -1.540 -6.719 1.00 0.00 C ATOM 616 CG PHE A 41 4.770 -1.092 -6.064 1.00 0.00 C ATOM 617 CD1 PHE A 41 4.172 -1.879 -5.129 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.205 0.094 -6.416 1.00 0.00 C ATOM 619 CE1 PHE A 41 2.958 -1.463 -4.522 1.00 0.00 C ATOM 620 CE2 PHE A 41 2.991 0.511 -5.807 1.00 0.00 C ATOM 621 CZ PHE A 41 2.393 -0.277 -4.873 1.00 0.00 C ATOM 0 H PHE A 41 8.021 -2.768 -7.516 1.00 0.00 H new ATOM 0 HA PHE A 41 5.491 -3.607 -7.117 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.801 -1.773 -5.938 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.486 -0.710 -7.295 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.621 -2.820 -4.849 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.679 0.719 -7.158 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.483 -2.089 -3.781 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.543 1.453 -6.085 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.470 0.039 -4.410 1.00 0.00 H new ATOM 631 N GLY A 42 3.712 -2.471 -8.539 1.00 0.00 N ATOM 632 CA GLY A 42 2.721 -2.152 -9.553 1.00 0.00 C ATOM 633 C GLY A 42 1.346 -2.699 -9.166 1.00 0.00 C ATOM 634 O GLY A 42 1.051 -2.869 -7.984 1.00 0.00 O ATOM 0 H GLY A 42 3.325 -2.753 -7.638 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.663 -1.071 -9.683 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.027 -2.572 -10.511 1.00 0.00 H new ATOM 638 N LYS A 43 0.540 -2.960 -10.185 1.00 0.00 N ATOM 639 CA LYS A 43 -0.798 -3.484 -9.966 1.00 0.00 C ATOM 640 C LYS A 43 -0.701 -4.835 -9.253 1.00 0.00 C ATOM 641 O LYS A 43 -0.908 -4.918 -8.043 1.00 0.00 O ATOM 642 CB LYS A 43 -1.574 -3.539 -11.283 1.00 0.00 C ATOM 643 CG LYS A 43 -3.078 -3.653 -11.029 1.00 0.00 C ATOM 644 CD LYS A 43 -3.725 -4.642 -12.001 1.00 0.00 C ATOM 645 CE LYS A 43 -4.898 -3.995 -12.741 1.00 0.00 C ATOM 646 NZ LYS A 43 -5.213 -4.750 -13.974 1.00 0.00 N ATOM 0 H LYS A 43 0.788 -2.818 -11.164 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.366 -2.819 -9.315 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.367 -2.643 -11.869 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.236 -4.391 -11.873 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.254 -3.978 -10.003 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.544 -2.674 -11.137 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.983 -4.989 -12.720 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.074 -5.519 -11.455 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.773 -3.966 -12.092 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.653 -2.963 -12.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.011 -4.298 -14.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.382 -4.756 -14.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.468 -5.728 -13.727 1.00 0.00 H new ATOM 659 N GLU A 44 -0.387 -5.859 -10.033 1.00 0.00 N ATOM 660 CA GLU A 44 -0.260 -7.201 -9.491 1.00 0.00 C ATOM 661 C GLU A 44 0.319 -7.150 -8.076 1.00 0.00 C ATOM 662 O GLU A 44 -0.069 -7.937 -7.214 1.00 0.00 O ATOM 663 CB GLU A 44 0.596 -8.082 -10.403 1.00 0.00 C ATOM 664 CG GLU A 44 -0.210 -8.572 -11.607 1.00 0.00 C ATOM 665 CD GLU A 44 -1.361 -7.615 -11.923 1.00 0.00 C ATOM 666 OE1 GLU A 44 -2.440 -7.723 -11.321 1.00 0.00 O ATOM 667 OE2 GLU A 44 -1.105 -6.733 -12.829 1.00 0.00 O ATOM 0 H GLU A 44 -0.217 -5.786 -11.036 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.254 -7.646 -9.439 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.464 -7.520 -10.747 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.972 -8.937 -9.840 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.443 -8.660 -12.475 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.605 -9.567 -11.404 1.00 0.00 H new ATOM 675 N MET A 45 1.238 -6.216 -7.881 1.00 0.00 N ATOM 676 CA MET A 45 1.875 -6.052 -6.585 1.00 0.00 C ATOM 677 C MET A 45 0.891 -5.484 -5.559 1.00 0.00 C ATOM 678 O MET A 45 0.653 -6.095 -4.518 1.00 0.00 O ATOM 679 CB MET A 45 3.072 -5.109 -6.720 1.00 0.00 C ATOM 680 CG MET A 45 4.225 -5.555 -5.817 1.00 0.00 C ATOM 681 SD MET A 45 5.202 -6.799 -6.643 1.00 0.00 S ATOM 682 CE MET A 45 6.560 -6.941 -5.493 1.00 0.00 C ATOM 0 H MET A 45 1.557 -5.565 -8.599 1.00 0.00 H new ATOM 0 HA MET A 45 2.209 -7.030 -6.239 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.406 -5.085 -7.757 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.772 -4.094 -6.458 1.00 0.00 H new ATOM 0 HG2 MET A 45 4.850 -4.699 -5.563 1.00 0.00 H new ATOM 0 HG3 MET A 45 3.832 -5.952 -4.881 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.270 -7.683 -5.858 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.059 -5.977 -5.399 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.181 -7.250 -4.519 1.00 0.00 H new ATOM 692 N ALA A 46 0.347 -4.322 -5.889 1.00 0.00 N ATOM 693 CA ALA A 46 -0.605 -3.665 -5.009 1.00 0.00 C ATOM 694 C ALA A 46 -1.711 -4.654 -4.633 1.00 0.00 C ATOM 695 O ALA A 46 -2.005 -4.843 -3.454 1.00 0.00 O ATOM 696 CB ALA A 46 -1.153 -2.411 -5.694 1.00 0.00 C ATOM 0 H ALA A 46 0.547 -3.819 -6.753 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.119 -3.347 -4.087 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.867 -1.918 -5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.332 -1.729 -5.914 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.651 -2.692 -6.622 1.00 0.00 H new ATOM 702 N HIS A 47 -2.295 -5.258 -5.658 1.00 0.00 N ATOM 703 CA HIS A 47 -3.362 -6.222 -5.449 1.00 0.00 C ATOM 704 C HIS A 47 -2.785 -7.503 -4.842 1.00 0.00 C ATOM 705 O HIS A 47 -3.442 -8.163 -4.039 1.00 0.00 O ATOM 706 CB HIS A 47 -4.127 -6.474 -6.750 1.00 0.00 C ATOM 707 CG HIS A 47 -4.687 -5.224 -7.386 1.00 0.00 C ATOM 708 ND1 HIS A 47 -4.862 -5.093 -8.752 1.00 0.00 N ATOM 709 CD2 HIS A 47 -5.109 -4.053 -6.829 1.00 0.00 C ATOM 710 CE1 HIS A 47 -5.366 -3.892 -8.995 1.00 0.00 C ATOM 711 NE2 HIS A 47 -5.518 -3.249 -7.802 1.00 0.00 N ATOM 0 H HIS A 47 -2.049 -5.098 -6.635 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.087 -5.821 -4.741 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.462 -6.964 -7.461 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.946 -7.165 -6.550 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -4.641 -5.800 -9.453 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.110 -3.820 -5.775 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.613 -3.492 -9.967 1.00 0.00 H new ATOM 719 N GLY A 48 -1.564 -7.815 -5.250 1.00 0.00 N ATOM 720 CA GLY A 48 -0.891 -9.004 -4.757 1.00 0.00 C ATOM 721 C GLY A 48 -0.406 -8.804 -3.319 1.00 0.00 C ATOM 722 O GLY A 48 -1.142 -8.290 -2.478 1.00 0.00 O ATOM 0 H GLY A 48 -1.023 -7.265 -5.917 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.571 -9.855 -4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.044 -9.240 -5.401 1.00 0.00 H new ATOM 726 N LYS A 49 0.829 -9.219 -3.082 1.00 0.00 N ATOM 727 CA LYS A 49 1.421 -9.092 -1.761 1.00 0.00 C ATOM 728 C LYS A 49 2.053 -7.706 -1.622 1.00 0.00 C ATOM 729 O LYS A 49 3.129 -7.565 -1.044 1.00 0.00 O ATOM 730 CB LYS A 49 2.396 -10.241 -1.498 1.00 0.00 C ATOM 731 CG LYS A 49 1.646 -11.557 -1.281 1.00 0.00 C ATOM 732 CD LYS A 49 2.622 -12.715 -1.062 1.00 0.00 C ATOM 733 CE LYS A 49 2.388 -13.831 -2.082 1.00 0.00 C ATOM 734 NZ LYS A 49 3.204 -13.604 -3.295 1.00 0.00 N ATOM 0 H LYS A 49 1.437 -9.644 -3.783 1.00 0.00 H new ATOM 0 HA LYS A 49 0.654 -9.173 -0.991 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.080 -10.343 -2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.002 -10.015 -0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.986 -11.465 -0.419 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.015 -11.767 -2.145 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.647 -12.352 -1.144 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.503 -13.109 -0.053 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.643 -14.794 -1.640 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.332 -13.872 -2.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.033 -14.371 -3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.942 -12.694 -3.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.212 -13.588 -3.038 1.00 0.00 H new ATOM 747 N GLY A 50 1.356 -6.716 -2.161 1.00 0.00 N ATOM 748 CA GLY A 50 1.835 -5.345 -2.104 1.00 0.00 C ATOM 749 C GLY A 50 0.972 -4.501 -1.164 1.00 0.00 C ATOM 750 O GLY A 50 1.486 -3.874 -0.239 1.00 0.00 O ATOM 0 H GLY A 50 0.463 -6.836 -2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.870 -5.332 -1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.823 -4.910 -3.103 1.00 0.00 H new ATOM 754 N CYS A 51 -0.325 -4.513 -1.434 1.00 0.00 N ATOM 755 CA CYS A 51 -1.265 -3.756 -0.624 1.00 0.00 C ATOM 756 C CYS A 51 -2.322 -4.722 -0.086 1.00 0.00 C ATOM 757 O CYS A 51 -2.194 -5.232 1.025 1.00 0.00 O ATOM 758 CB CYS A 51 -1.892 -2.604 -1.413 1.00 0.00 C ATOM 759 SG CYS A 51 -0.701 -1.362 -2.035 1.00 0.00 S ATOM 0 H CYS A 51 -0.747 -5.035 -2.202 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.739 -3.293 0.211 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.439 -3.018 -2.260 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.621 -2.101 -0.777 1.00 0.00 H new ATOM 764 N LYS A 52 -3.344 -4.944 -0.901 1.00 0.00 N ATOM 765 CA LYS A 52 -4.423 -5.839 -0.520 1.00 0.00 C ATOM 766 C LYS A 52 -3.835 -7.086 0.145 1.00 0.00 C ATOM 767 O LYS A 52 -4.281 -7.490 1.217 1.00 0.00 O ATOM 768 CB LYS A 52 -5.313 -6.148 -1.726 1.00 0.00 C ATOM 769 CG LYS A 52 -6.267 -4.987 -2.014 1.00 0.00 C ATOM 770 CD LYS A 52 -7.673 -5.499 -2.332 1.00 0.00 C ATOM 771 CE LYS A 52 -7.718 -6.158 -3.711 1.00 0.00 C ATOM 772 NZ LYS A 52 -7.948 -5.143 -4.764 1.00 0.00 N ATOM 0 H LYS A 52 -3.447 -4.520 -1.823 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.073 -5.362 0.214 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.692 -6.339 -2.601 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.886 -7.056 -1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.305 -4.321 -1.152 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.891 -4.402 -2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.983 -6.216 -1.572 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.382 -4.671 -2.297 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.781 -6.682 -3.901 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.512 -6.905 -3.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.510 -5.459 -5.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.970 -5.017 -4.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.526 -4.238 -4.472 1.00 0.00 H new ATOM 785 N GLY A 53 -2.843 -7.660 -0.520 1.00 0.00 N ATOM 786 CA GLY A 53 -2.189 -8.852 -0.007 1.00 0.00 C ATOM 787 C GLY A 53 -2.157 -8.844 1.523 1.00 0.00 C ATOM 788 O GLY A 53 -2.814 -9.662 2.165 1.00 0.00 O ATOM 0 H GLY A 53 -2.476 -7.322 -1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.715 -9.740 -0.359 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.172 -8.909 -0.395 1.00 0.00 H new ATOM 792 N CYS A 54 -1.387 -7.911 2.062 1.00 0.00 N ATOM 793 CA CYS A 54 -1.261 -7.786 3.504 1.00 0.00 C ATOM 794 C CYS A 54 -2.662 -7.627 4.097 1.00 0.00 C ATOM 795 O CYS A 54 -2.993 -8.264 5.096 1.00 0.00 O ATOM 796 CB CYS A 54 -0.342 -6.625 3.893 1.00 0.00 C ATOM 797 SG CYS A 54 0.147 -6.776 5.650 1.00 0.00 S ATOM 0 H CYS A 54 -0.844 -7.234 1.526 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.795 -8.684 3.910 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.545 -6.624 3.259 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.852 -5.676 3.729 1.00 0.00 H new ATOM 802 N HIS A 55 -3.448 -6.775 3.456 1.00 0.00 N ATOM 803 CA HIS A 55 -4.807 -6.525 3.908 1.00 0.00 C ATOM 804 C HIS A 55 -5.557 -7.852 4.037 1.00 0.00 C ATOM 805 O HIS A 55 -5.835 -8.307 5.145 1.00 0.00 O ATOM 806 CB HIS A 55 -5.513 -5.532 2.982 1.00 0.00 C ATOM 807 CG HIS A 55 -4.966 -4.126 3.058 1.00 0.00 C ATOM 808 ND1 HIS A 55 -5.475 -3.082 2.305 1.00 0.00 N ATOM 809 CD2 HIS A 55 -3.951 -3.604 3.804 1.00 0.00 C ATOM 810 CE1 HIS A 55 -4.789 -1.986 2.593 1.00 0.00 C ATOM 811 NE2 HIS A 55 -3.845 -2.311 3.522 1.00 0.00 N ATOM 0 H HIS A 55 -3.170 -6.249 2.627 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.787 -6.062 4.894 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.432 -5.888 1.955 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.574 -5.512 3.229 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -6.247 -3.146 1.641 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.337 -4.150 4.505 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -4.949 -1.007 2.167 1.00 0.00 H new ATOM 819 N GLU A 56 -5.864 -8.435 2.888 1.00 0.00 N ATOM 820 CA GLU A 56 -6.577 -9.701 2.858 1.00 0.00 C ATOM 821 C GLU A 56 -5.828 -10.751 3.681 1.00 0.00 C ATOM 822 O GLU A 56 -6.418 -11.737 4.120 1.00 0.00 O ATOM 823 CB GLU A 56 -6.786 -10.179 1.420 1.00 0.00 C ATOM 824 CG GLU A 56 -5.627 -9.741 0.522 1.00 0.00 C ATOM 825 CD GLU A 56 -5.408 -10.738 -0.618 1.00 0.00 C ATOM 826 OE1 GLU A 56 -6.318 -10.959 -1.430 1.00 0.00 O ATOM 827 OE2 GLU A 56 -4.244 -11.291 -0.642 1.00 0.00 O ATOM 0 H GLU A 56 -5.632 -8.054 1.971 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.561 -9.552 3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.873 -11.265 1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.723 -9.778 1.032 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.834 -8.753 0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.716 -9.655 1.114 1.00 0.00 H new ATOM 835 N GLU A 57 -4.540 -10.504 3.866 1.00 0.00 N ATOM 836 CA GLU A 57 -3.704 -11.416 4.629 1.00 0.00 C ATOM 837 C GLU A 57 -4.189 -11.493 6.078 1.00 0.00 C ATOM 838 O GLU A 57 -4.431 -12.582 6.598 1.00 0.00 O ATOM 839 CB GLU A 57 -2.234 -10.997 4.565 1.00 0.00 C ATOM 840 CG GLU A 57 -1.427 -11.961 3.693 1.00 0.00 C ATOM 841 CD GLU A 57 -1.688 -13.414 4.096 1.00 0.00 C ATOM 842 OE1 GLU A 57 -1.662 -13.740 5.292 1.00 0.00 O ATOM 843 OE2 GLU A 57 -1.926 -14.217 3.115 1.00 0.00 O ATOM 0 H GLU A 57 -4.054 -9.685 3.501 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.784 -12.408 4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.157 -9.987 4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.815 -10.973 5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.691 -11.817 2.645 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.364 -11.739 3.787 1.00 0.00 H new ATOM 851 N MET A 58 -4.318 -10.325 6.689 1.00 0.00 N ATOM 852 CA MET A 58 -4.770 -10.247 8.068 1.00 0.00 C ATOM 853 C MET A 58 -6.273 -9.969 8.137 1.00 0.00 C ATOM 854 O MET A 58 -6.833 -9.831 9.224 1.00 0.00 O ATOM 855 CB MET A 58 -4.011 -9.133 8.792 1.00 0.00 C ATOM 856 CG MET A 58 -2.503 -9.390 8.765 1.00 0.00 C ATOM 857 SD MET A 58 -1.920 -9.777 10.407 1.00 0.00 S ATOM 858 CE MET A 58 -1.843 -8.135 11.103 1.00 0.00 C ATOM 0 H MET A 58 -4.117 -9.424 6.254 1.00 0.00 H new ATOM 0 HA MET A 58 -4.574 -11.205 8.550 1.00 0.00 H new ATOM 0 HB2 MET A 58 -4.229 -8.174 8.321 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.354 -9.066 9.825 1.00 0.00 H new ATOM 0 HG2 MET A 58 -2.278 -10.213 8.087 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.983 -8.512 8.383 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.494 -8.193 12.134 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.153 -7.525 10.520 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.835 -7.683 11.080 1.00 0.00 H new ATOM 868 N LYS A 59 -6.884 -9.896 6.964 1.00 0.00 N ATOM 869 CA LYS A 59 -8.311 -9.637 6.878 1.00 0.00 C ATOM 870 C LYS A 59 -8.583 -8.177 7.244 1.00 0.00 C ATOM 871 O LYS A 59 -9.737 -7.761 7.337 1.00 0.00 O ATOM 872 CB LYS A 59 -9.090 -10.641 7.731 1.00 0.00 C ATOM 873 CG LYS A 59 -9.767 -11.696 6.854 1.00 0.00 C ATOM 874 CD LYS A 59 -10.868 -11.071 5.995 1.00 0.00 C ATOM 875 CE LYS A 59 -12.154 -11.896 6.066 1.00 0.00 C ATOM 876 NZ LYS A 59 -12.151 -12.951 5.027 1.00 0.00 N ATOM 0 H LYS A 59 -6.417 -10.012 6.065 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.664 -9.781 5.857 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.414 -11.127 8.435 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.842 -10.116 8.321 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.025 -12.171 6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.192 -12.479 7.483 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.065 -10.054 6.334 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.532 -11.003 4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.248 -12.349 7.053 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.018 -11.246 5.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.031 -13.502 5.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.083 -12.512 4.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.337 -13.581 5.175 1.00 0.00 H new ATOM 889 N LYS A 60 -7.501 -7.438 7.443 1.00 0.00 N ATOM 890 CA LYS A 60 -7.609 -6.034 7.797 1.00 0.00 C ATOM 891 C LYS A 60 -7.296 -5.177 6.568 1.00 0.00 C ATOM 892 O LYS A 60 -6.755 -5.674 5.582 1.00 0.00 O ATOM 893 CB LYS A 60 -6.728 -5.717 9.007 1.00 0.00 C ATOM 894 CG LYS A 60 -6.996 -6.698 10.151 1.00 0.00 C ATOM 895 CD LYS A 60 -8.300 -6.355 10.873 1.00 0.00 C ATOM 896 CE LYS A 60 -9.331 -7.472 10.702 1.00 0.00 C ATOM 897 NZ LYS A 60 -9.177 -8.488 11.766 1.00 0.00 N ATOM 0 H LYS A 60 -6.545 -7.786 7.366 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.628 -5.796 8.102 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.678 -5.766 8.720 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.919 -4.698 9.344 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.050 -7.714 9.759 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.167 -6.673 10.858 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.102 -6.197 11.933 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.702 -5.421 10.481 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.337 -7.054 10.733 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.210 -7.939 9.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.885 -9.239 11.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.223 -8.899 11.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.315 -8.041 12.695 1.00 0.00 H new ATOM 910 N GLY A 61 -7.651 -3.904 6.668 1.00 0.00 N ATOM 911 CA GLY A 61 -7.415 -2.974 5.577 1.00 0.00 C ATOM 912 C GLY A 61 -8.433 -3.178 4.453 1.00 0.00 C ATOM 913 O GLY A 61 -9.062 -4.225 4.325 1.00 0.00 O ATOM 0 H GLY A 61 -8.100 -3.495 7.488 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.477 -1.951 5.947 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.406 -3.112 5.188 1.00 0.00 H new ATOM 917 N PRO A 62 -8.581 -2.136 3.630 1.00 0.00 N ATOM 918 CA PRO A 62 -9.485 -2.111 2.501 1.00 0.00 C ATOM 919 C PRO A 62 -9.053 -3.151 1.477 1.00 0.00 C ATOM 920 O PRO A 62 -7.915 -3.090 1.013 1.00 0.00 O ATOM 921 CB PRO A 62 -9.363 -0.699 1.933 1.00 0.00 C ATOM 922 CG PRO A 62 -8.036 -0.196 2.404 1.00 0.00 C ATOM 923 CD PRO A 62 -7.857 -0.890 3.752 1.00 0.00 C ATOM 0 HA PRO A 62 -10.514 -2.344 2.776 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.416 -0.707 0.844 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.173 -0.062 2.287 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.238 -0.455 1.709 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.030 0.889 2.506 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.803 -1.065 3.969 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.253 -0.281 4.565 1.00 0.00 H new ATOM 931 N THR A 63 -9.948 -4.071 1.150 1.00 0.00 N ATOM 932 CA THR A 63 -9.636 -5.110 0.184 1.00 0.00 C ATOM 933 C THR A 63 -10.601 -5.044 -1.001 1.00 0.00 C ATOM 934 O THR A 63 -10.401 -5.721 -2.009 1.00 0.00 O ATOM 935 CB THR A 63 -9.658 -6.455 0.911 1.00 0.00 C ATOM 936 OG1 THR A 63 -11.026 -6.633 1.270 1.00 0.00 O ATOM 937 CG2 THR A 63 -8.925 -6.407 2.253 1.00 0.00 C ATOM 0 H THR A 63 -10.890 -4.118 1.537 1.00 0.00 H new ATOM 0 HA THR A 63 -8.641 -4.970 -0.239 1.00 0.00 H new ATOM 0 HB THR A 63 -9.206 -7.218 0.277 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.131 -7.483 1.745 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.971 -7.387 2.728 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.883 -6.131 2.089 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.398 -5.668 2.900 1.00 0.00 H new ATOM 945 N LYS A 64 -11.628 -4.221 -0.842 1.00 0.00 N ATOM 946 CA LYS A 64 -12.625 -4.058 -1.886 1.00 0.00 C ATOM 947 C LYS A 64 -12.263 -2.845 -2.746 1.00 0.00 C ATOM 948 O LYS A 64 -11.560 -1.944 -2.290 1.00 0.00 O ATOM 949 CB LYS A 64 -14.028 -3.985 -1.281 1.00 0.00 C ATOM 950 CG LYS A 64 -14.266 -5.142 -0.308 1.00 0.00 C ATOM 951 CD LYS A 64 -15.459 -5.992 -0.748 1.00 0.00 C ATOM 952 CE LYS A 64 -16.247 -6.501 0.461 1.00 0.00 C ATOM 953 NZ LYS A 64 -17.564 -5.831 0.541 1.00 0.00 N ATOM 0 H LYS A 64 -11.791 -3.660 -0.006 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.632 -4.926 -2.545 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.155 -3.036 -0.761 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.773 -4.015 -2.076 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.373 -5.764 -0.252 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.444 -4.749 0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.113 -5.402 -1.390 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.109 -6.837 -1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.385 -7.580 0.385 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.682 -6.316 1.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.086 -6.188 1.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.426 -4.805 0.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -18.107 -6.029 -0.323 1.00 0.00 H new ATOM 966 N CYS A 65 -12.759 -2.862 -3.974 1.00 0.00 N ATOM 967 CA CYS A 65 -12.496 -1.775 -4.902 1.00 0.00 C ATOM 968 C CYS A 65 -13.263 -0.540 -4.425 1.00 0.00 C ATOM 969 O CYS A 65 -14.240 -0.659 -3.687 1.00 0.00 O ATOM 970 CB CYS A 65 -12.863 -2.155 -6.338 1.00 0.00 C ATOM 971 SG CYS A 65 -12.790 -3.947 -6.700 1.00 0.00 S ATOM 0 H CYS A 65 -13.342 -3.611 -4.348 1.00 0.00 H new ATOM 0 HA CYS A 65 -11.428 -1.556 -4.916 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.871 -1.797 -6.547 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -12.192 -1.633 -7.020 1.00 0.00 H new ATOM 976 N GLY A 66 -12.790 0.617 -4.865 1.00 0.00 N ATOM 977 CA GLY A 66 -13.420 1.873 -4.491 1.00 0.00 C ATOM 978 C GLY A 66 -12.836 2.411 -3.183 1.00 0.00 C ATOM 979 O GLY A 66 -12.716 3.622 -3.005 1.00 0.00 O ATOM 0 H GLY A 66 -11.979 0.712 -5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.278 2.606 -5.285 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.494 1.726 -4.381 1.00 0.00 H new ATOM 983 N GLU A 67 -12.489 1.484 -2.302 1.00 0.00 N ATOM 984 CA GLU A 67 -11.921 1.850 -1.016 1.00 0.00 C ATOM 985 C GLU A 67 -10.482 2.340 -1.191 1.00 0.00 C ATOM 986 O GLU A 67 -9.943 3.019 -0.318 1.00 0.00 O ATOM 987 CB GLU A 67 -11.986 0.678 -0.034 1.00 0.00 C ATOM 988 CG GLU A 67 -12.518 1.131 1.327 1.00 0.00 C ATOM 989 CD GLU A 67 -12.525 -0.028 2.326 1.00 0.00 C ATOM 990 OE1 GLU A 67 -12.541 -1.198 1.918 1.00 0.00 O ATOM 991 OE2 GLU A 67 -12.513 0.323 3.567 1.00 0.00 O ATOM 0 H GLU A 67 -12.590 0.480 -2.454 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.513 2.664 -0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.629 -0.104 -0.438 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.993 0.244 0.086 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.901 1.943 1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.528 1.525 1.214 1.00 0.00 H new ATOM 999 N CYS A 68 -9.901 1.977 -2.325 1.00 0.00 N ATOM 1000 CA CYS A 68 -8.535 2.371 -2.625 1.00 0.00 C ATOM 1001 C CYS A 68 -8.566 3.355 -3.796 1.00 0.00 C ATOM 1002 O CYS A 68 -7.942 4.414 -3.738 1.00 0.00 O ATOM 1003 CB CYS A 68 -7.649 1.159 -2.921 1.00 0.00 C ATOM 1004 SG CYS A 68 -6.505 0.864 -1.524 1.00 0.00 S ATOM 0 H CYS A 68 -10.351 1.414 -3.047 1.00 0.00 H new ATOM 0 HA CYS A 68 -8.094 2.857 -1.755 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.268 0.277 -3.087 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.082 1.327 -3.837 1.00 0.00 H new ATOM 1009 N HIS A 69 -9.298 2.971 -4.832 1.00 0.00 N ATOM 1010 CA HIS A 69 -9.418 3.806 -6.014 1.00 0.00 C ATOM 1011 C HIS A 69 -10.585 4.781 -5.838 1.00 0.00 C ATOM 1012 O HIS A 69 -11.745 4.399 -5.985 1.00 0.00 O ATOM 1013 CB HIS A 69 -9.547 2.949 -7.274 1.00 0.00 C ATOM 1014 CG HIS A 69 -8.388 2.008 -7.498 1.00 0.00 C ATOM 1015 ND1 HIS A 69 -7.133 2.443 -7.885 1.00 0.00 N ATOM 1016 CD2 HIS A 69 -8.307 0.651 -7.385 1.00 0.00 C ATOM 1017 CE1 HIS A 69 -6.340 1.388 -7.998 1.00 0.00 C ATOM 1018 NE2 HIS A 69 -7.069 0.278 -7.687 1.00 0.00 N ATOM 0 H HIS A 69 -9.814 2.092 -4.877 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.511 4.398 -6.139 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.467 2.368 -7.213 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.641 3.605 -8.139 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -6.864 3.412 -8.055 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.113 -0.008 -7.098 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.299 1.404 -8.286 1.00 0.00 H new ATOM 1026 N LYS A 70 -10.236 6.020 -5.525 1.00 0.00 N ATOM 1027 CA LYS A 70 -11.240 7.052 -5.327 1.00 0.00 C ATOM 1028 C LYS A 70 -11.073 8.132 -6.398 1.00 0.00 C ATOM 1029 O LYS A 70 -10.051 8.816 -6.441 1.00 0.00 O ATOM 1030 CB LYS A 70 -11.180 7.590 -3.896 1.00 0.00 C ATOM 1031 CG LYS A 70 -11.755 6.576 -2.905 1.00 0.00 C ATOM 1032 CD LYS A 70 -12.601 7.273 -1.837 1.00 0.00 C ATOM 1033 CE LYS A 70 -11.839 7.374 -0.514 1.00 0.00 C ATOM 1034 NZ LYS A 70 -12.669 8.042 0.513 1.00 0.00 N ATOM 0 H LYS A 70 -9.273 6.333 -5.404 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.241 6.638 -5.445 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.147 7.817 -3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.738 8.524 -3.831 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.365 5.846 -3.438 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.943 6.026 -2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.876 8.271 -2.180 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.529 6.721 -1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.559 6.378 -0.172 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.914 7.932 -0.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.137 8.102 1.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.915 9.000 0.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.540 7.494 0.666 1.00 0.00 H new ATOM 1047 N LYS A 71 -12.092 8.253 -7.236 1.00 0.00 N ATOM 1048 CA LYS A 71 -12.070 9.238 -8.303 1.00 0.00 C ATOM 1049 C LYS A 71 -12.491 10.599 -7.744 1.00 0.00 C ATOM 1050 O LYS A 71 -13.493 10.701 -7.037 1.00 0.00 O ATOM 1051 CB LYS A 71 -12.923 8.768 -9.483 1.00 0.00 C ATOM 1052 CG LYS A 71 -12.352 9.277 -10.809 1.00 0.00 C ATOM 1053 CD LYS A 71 -12.377 8.179 -11.874 1.00 0.00 C ATOM 1054 CE LYS A 71 -13.807 7.905 -12.345 1.00 0.00 C ATOM 1055 NZ LYS A 71 -13.876 7.909 -13.823 1.00 0.00 N ATOM 0 H LYS A 71 -12.938 7.685 -7.197 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.059 9.353 -8.695 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.965 7.679 -9.495 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.946 9.125 -9.362 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.930 10.135 -11.152 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.328 9.621 -10.660 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.761 8.477 -12.723 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.942 7.265 -11.470 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.144 6.942 -11.962 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.480 8.661 -11.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.853 7.722 -14.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.574 8.837 -14.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.249 7.171 -14.202 1.00 0.00 H new TER 1068 LYS A 71 HETATM 1069 CHA HEM A 130 8.426 5.062 0.358 1.00 0.00 C HETATM 1070 CHB HEM A 130 10.874 5.207 4.566 1.00 0.00 C HETATM 1071 CHC HEM A 130 7.916 1.807 6.415 1.00 0.00 C HETATM 1072 CHD HEM A 130 5.782 1.321 2.012 1.00 0.00 C HETATM 1073 C1A HEM A 130 9.341 5.393 1.351 1.00 0.00 C HETATM 1074 C2A HEM A 130 10.384 6.381 1.198 1.00 0.00 C HETATM 1075 C3A HEM A 130 11.064 6.423 2.363 1.00 0.00 C HETATM 1076 C4A HEM A 130 10.450 5.463 3.249 1.00 0.00 C HETATM 1077 CMA HEM A 130 12.240 7.288 2.715 1.00 0.00 C HETATM 1078 CAA HEM A 130 10.627 7.186 -0.045 1.00 0.00 C HETATM 1079 CBA HEM A 130 9.906 8.531 -0.064 1.00 0.00 C HETATM 1080 CGA HEM A 130 10.873 9.676 0.196 1.00 0.00 C HETATM 1081 O1A HEM A 130 12.020 9.571 -0.289 1.00 0.00 O HETATM 1082 O2A HEM A 130 10.448 10.635 0.875 1.00 0.00 O HETATM 1083 C1B HEM A 130 10.248 4.323 5.439 1.00 0.00 C HETATM 1084 C2B HEM A 130 10.596 4.174 6.832 1.00 0.00 C HETATM 1085 C3B HEM A 130 9.778 3.233 7.347 1.00 0.00 C HETATM 1086 C4B HEM A 130 8.915 2.789 6.278 1.00 0.00 C HETATM 1087 CMB HEM A 130 11.676 4.946 7.534 1.00 0.00 C HETATM 1088 CAB HEM A 130 9.738 2.714 8.755 1.00 0.00 C HETATM 1089 CBB HEM A 130 9.856 3.800 9.820 1.00 0.00 C HETATM 1090 C1C HEM A 130 7.172 1.243 5.295 1.00 0.00 C HETATM 1091 C2C HEM A 130 6.389 0.030 5.317 1.00 0.00 C HETATM 1092 C3C HEM A 130 5.790 -0.078 4.112 1.00 0.00 C HETATM 1093 C4C HEM A 130 6.196 1.068 3.332 1.00 0.00 C HETATM 1094 CMC HEM A 130 6.290 -0.907 6.486 1.00 0.00 C HETATM 1095 CAC HEM A 130 4.871 -1.162 3.631 1.00 0.00 C HETATM 1096 CBC HEM A 130 3.581 -1.286 4.438 1.00 0.00 C HETATM 1097 C1D HEM A 130 6.309 2.318 1.197 1.00 0.00 C HETATM 1098 C2D HEM A 130 5.889 2.562 -0.162 1.00 0.00 C HETATM 1099 C3D HEM A 130 6.620 3.598 -0.624 1.00 0.00 C HETATM 1100 C4D HEM A 130 7.500 4.006 0.445 1.00 0.00 C HETATM 1101 CMD HEM A 130 4.831 1.782 -0.887 1.00 0.00 C HETATM 1102 CAD HEM A 130 6.563 4.238 -1.980 1.00 0.00 C HETATM 1103 CBD HEM A 130 7.234 3.421 -3.081 1.00 0.00 C HETATM 1104 CGD HEM A 130 6.218 2.564 -3.823 1.00 0.00 C HETATM 1105 O1D HEM A 130 5.179 3.133 -4.222 1.00 0.00 O HETATM 1106 O2D HEM A 130 6.500 1.356 -3.979 1.00 0.00 O HETATM 1107 NA HEM A 130 9.391 4.834 2.616 1.00 0.00 N HETATM 1108 NB HEM A 130 9.212 3.466 5.109 1.00 0.00 N HETATM 1109 NC HEM A 130 7.046 1.874 4.069 1.00 0.00 N HETATM 1110 ND HEM A 130 7.301 3.212 1.561 1.00 0.00 N HETATM 1111 FE HEM A 130 8.192 3.320 3.461 1.00 0.00 FE HETATM 0 HMA1 HEM A 130 12.819 7.498 1.816 1.00 0.00 H new HETATM 0 HMA2 HEM A 130 12.869 6.770 3.439 1.00 0.00 H new HETATM 0 HMA3 HEM A 130 11.887 8.225 3.146 1.00 0.00 H new HETATM 0 HMB1 HEM A 130 12.463 5.200 6.823 1.00 0.00 H new HETATM 0 HMB2 HEM A 130 12.094 4.339 8.337 1.00 0.00 H new HETATM 0 HMB3 HEM A 130 11.256 5.861 7.952 1.00 0.00 H new HETATM 0 HMC1 HEM A 130 5.315 -1.394 6.480 1.00 0.00 H new HETATM 0 HMC2 HEM A 130 6.410 -0.346 7.413 1.00 0.00 H new HETATM 0 HMC3 HEM A 130 7.073 -1.662 6.415 1.00 0.00 H new HETATM 0 HMD1 HEM A 130 4.339 2.426 -1.615 1.00 0.00 H new HETATM 0 HMD2 HEM A 130 4.095 1.415 -0.172 1.00 0.00 H new HETATM 0 HMD3 HEM A 130 5.290 0.938 -1.401 1.00 0.00 H new HETATM 0 HBB1 HEM A 130 9.838 3.532 10.876 1.00 0.00 H new HETATM 0 HBB2 HEM A 130 9.958 4.844 9.525 1.00 0.00 H new HETATM 0 HBC1 HEM A 130 2.843 -2.043 4.173 1.00 0.00 H new HETATM 0 HBC2 HEM A 130 3.398 -0.618 5.280 1.00 0.00 H new HETATM 0 HBA1 HEM A 130 9.120 8.536 0.691 1.00 0.00 H new HETATM 0 HBA2 HEM A 130 9.421 8.673 -1.030 1.00 0.00 H new HETATM 0 HAA1 HEM A 130 10.311 6.604 -0.910 1.00 0.00 H new HETATM 0 HAA2 HEM A 130 11.698 7.358 -0.151 1.00 0.00 H new HETATM 0 HBD1 HEM A 130 8.004 2.784 -2.647 1.00 0.00 H new HETATM 0 HBD2 HEM A 130 7.732 4.090 -3.783 1.00 0.00 H new HETATM 0 HAD1 HEM A 130 7.038 5.218 -1.928 1.00 0.00 H new HETATM 0 HAD2 HEM A 130 5.520 4.403 -2.249 1.00 0.00 H new HETATM 0 HHA HEM A 130 8.426 5.657 -0.543 1.00 0.00 H new HETATM 0 HHB HEM A 130 11.746 5.734 4.924 1.00 0.00 H new HETATM 0 HHC HEM A 130 7.687 1.450 7.408 1.00 0.00 H new HETATM 0 HHD HEM A 130 5.001 0.698 1.602 1.00 0.00 H new HETATM 0 HAB HEM A 130 9.634 1.656 8.995 1.00 0.00 H new HETATM 0 HAC HEM A 130 5.104 -1.804 2.781 1.00 0.00 H new HETATM 1112 CHA HEM A 154 -5.142 0.040 6.478 1.00 0.00 C HETATM 1113 CHB HEM A 154 -3.769 1.331 1.987 1.00 0.00 C HETATM 1114 CHC HEM A 154 -0.144 -1.918 2.161 1.00 0.00 C HETATM 1115 CHD HEM A 154 -1.602 -3.303 6.601 1.00 0.00 C HETATM 1116 C1A HEM A 154 -5.073 0.668 5.239 1.00 0.00 C HETATM 1117 C2A HEM A 154 -5.978 1.707 4.804 1.00 0.00 C HETATM 1118 C3A HEM A 154 -5.600 2.066 3.560 1.00 0.00 C HETATM 1119 C4A HEM A 154 -4.457 1.255 3.211 1.00 0.00 C HETATM 1120 CMA HEM A 154 -6.218 3.106 2.670 1.00 0.00 C HETATM 1121 CAA HEM A 154 -7.114 2.253 5.619 1.00 0.00 C HETATM 1122 CBA HEM A 154 -6.730 2.624 7.049 1.00 0.00 C HETATM 1123 CGA HEM A 154 -7.269 3.997 7.422 1.00 0.00 C HETATM 1124 O1A HEM A 154 -8.168 4.038 8.289 1.00 0.00 O HETATM 1125 O2A HEM A 154 -6.771 4.981 6.833 1.00 0.00 O HETATM 1126 C1B HEM A 154 -2.660 0.558 1.656 1.00 0.00 C HETATM 1127 C2B HEM A 154 -1.946 0.657 0.406 1.00 0.00 C HETATM 1128 C3B HEM A 154 -0.940 -0.242 0.451 1.00 0.00 C HETATM 1129 C4B HEM A 154 -1.022 -0.907 1.730 1.00 0.00 C HETATM 1130 CMB HEM A 154 -2.293 1.600 -0.709 1.00 0.00 C HETATM 1131 CAB HEM A 154 0.090 -0.531 -0.602 1.00 0.00 C HETATM 1132 CBB HEM A 154 0.849 0.703 -1.083 1.00 0.00 C HETATM 1133 C1C HEM A 154 -0.293 -2.637 3.351 1.00 0.00 C HETATM 1134 C2C HEM A 154 0.595 -3.693 3.776 1.00 0.00 C HETATM 1135 C3C HEM A 154 0.214 -4.057 5.019 1.00 0.00 C HETATM 1136 C4C HEM A 154 -0.914 -3.229 5.376 1.00 0.00 C HETATM 1137 CMC HEM A 154 1.720 -4.252 2.954 1.00 0.00 C HETATM 1138 CAC HEM A 154 0.816 -5.113 5.898 1.00 0.00 C HETATM 1139 CBC HEM A 154 2.322 -5.286 5.719 1.00 0.00 C HETATM 1140 C1D HEM A 154 -2.687 -2.504 6.945 1.00 0.00 C HETATM 1141 C2D HEM A 154 -3.396 -2.595 8.200 1.00 0.00 C HETATM 1142 C3D HEM A 154 -4.378 -1.670 8.170 1.00 0.00 C HETATM 1143 C4D HEM A 154 -4.288 -0.997 6.895 1.00 0.00 C HETATM 1144 CMD HEM A 154 -3.066 -3.556 9.306 1.00 0.00 C HETATM 1145 CAD HEM A 154 -5.393 -1.363 9.232 1.00 0.00 C HETATM 1146 CBD HEM A 154 -4.976 -0.247 10.185 1.00 0.00 C HETATM 1147 CGD HEM A 154 -4.175 -0.797 11.357 1.00 0.00 C HETATM 1148 O1D HEM A 154 -4.645 -1.793 11.948 1.00 0.00 O HETATM 1149 O2D HEM A 154 -3.108 -0.210 11.639 1.00 0.00 O HETATM 1150 NA HEM A 154 -4.142 0.398 4.252 1.00 0.00 N HETATM 1151 NB HEM A 154 -2.084 -0.407 2.464 1.00 0.00 N HETATM 1152 NC HEM A 154 -1.217 -2.359 4.343 1.00 0.00 N HETATM 1153 ND HEM A 154 -3.244 -1.518 6.150 1.00 0.00 N HETATM 1154 FE HEM A 154 -2.603 -1.035 4.402 1.00 0.00 FE HETATM 0 HMA1 HEM A 154 -7.284 3.182 2.885 1.00 0.00 H new HETATM 0 HMA2 HEM A 154 -6.078 2.822 1.627 1.00 0.00 H new HETATM 0 HMA3 HEM A 154 -5.742 4.070 2.851 1.00 0.00 H new HETATM 0 HMB1 HEM A 154 -1.388 1.869 -1.253 1.00 0.00 H new HETATM 0 HMB2 HEM A 154 -2.748 2.500 -0.296 1.00 0.00 H new HETATM 0 HMB3 HEM A 154 -2.995 1.117 -1.389 1.00 0.00 H new HETATM 0 HMC1 HEM A 154 1.471 -4.174 1.896 1.00 0.00 H new HETATM 0 HMC2 HEM A 154 1.875 -5.299 3.214 1.00 0.00 H new HETATM 0 HMC3 HEM A 154 2.632 -3.689 3.155 1.00 0.00 H new HETATM 0 HMD1 HEM A 154 -2.636 -4.464 8.883 1.00 0.00 H new HETATM 0 HMD2 HEM A 154 -3.974 -3.806 9.854 1.00 0.00 H new HETATM 0 HMD3 HEM A 154 -2.348 -3.097 9.985 1.00 0.00 H new HETATM 0 HBB1 HEM A 154 1.620 0.605 -1.847 1.00 0.00 H new HETATM 0 HBB2 HEM A 154 0.620 1.682 -0.662 1.00 0.00 H new HETATM 0 HBC1 HEM A 154 2.859 -6.028 6.310 1.00 0.00 H new HETATM 0 HBC2 HEM A 154 2.860 -4.668 5.000 1.00 0.00 H new HETATM 0 HBA1 HEM A 154 -5.645 2.616 7.151 1.00 0.00 H new HETATM 0 HBA2 HEM A 154 -7.121 1.877 7.739 1.00 0.00 H new HETATM 0 HAA1 HEM A 154 -7.914 1.514 5.649 1.00 0.00 H new HETATM 0 HAA2 HEM A 154 -7.514 3.136 5.120 1.00 0.00 H new HETATM 0 HBD1 HEM A 154 -5.862 0.268 10.556 1.00 0.00 H new HETATM 0 HBD2 HEM A 154 -4.380 0.490 9.647 1.00 0.00 H new HETATM 0 HAD1 HEM A 154 -5.584 -2.267 9.810 1.00 0.00 H new HETATM 0 HAD2 HEM A 154 -6.332 -1.086 8.753 1.00 0.00 H new HETATM 0 HHA HEM A 154 -5.904 0.372 7.168 1.00 0.00 H new HETATM 0 HHB HEM A 154 -4.126 2.038 1.253 1.00 0.00 H new HETATM 0 HHC HEM A 154 0.701 -2.154 1.531 1.00 0.00 H new HETATM 0 HHD HEM A 154 -1.264 -4.031 7.324 1.00 0.00 H new HETATM 0 HAB HEM A 154 0.279 -1.532 -0.989 1.00 0.00 H new HETATM 0 HAC HEM A 154 0.230 -5.704 6.602 1.00 0.00 H new HETATM 1155 CHA HEM A 168 -3.889 -0.360 -9.853 1.00 0.00 C HETATM 1156 CHB HEM A 168 -8.285 -2.388 -10.386 1.00 0.00 C HETATM 1157 CHC HEM A 168 -8.759 -2.753 -5.553 1.00 0.00 C HETATM 1158 CHD HEM A 168 -4.451 -0.377 -5.015 1.00 0.00 C HETATM 1159 C1A HEM A 168 -5.045 -0.898 -10.408 1.00 0.00 C HETATM 1160 C2A HEM A 168 -5.282 -1.023 -11.827 1.00 0.00 C HETATM 1161 C3A HEM A 168 -6.500 -1.584 -11.979 1.00 0.00 C HETATM 1162 C4A HEM A 168 -7.029 -1.813 -10.655 1.00 0.00 C HETATM 1163 CMA HEM A 168 -7.208 -1.924 -13.258 1.00 0.00 C HETATM 1164 CAA HEM A 168 -4.323 -0.594 -12.899 1.00 0.00 C HETATM 1165 CBA HEM A 168 -4.071 0.911 -12.941 1.00 0.00 C HETATM 1166 CGA HEM A 168 -2.658 1.217 -13.418 1.00 0.00 C HETATM 1167 O1A HEM A 168 -1.964 1.963 -12.694 1.00 0.00 O HETATM 1168 O2A HEM A 168 -2.299 0.699 -14.497 1.00 0.00 O HETATM 1169 C1B HEM A 168 -8.737 -2.740 -9.119 1.00 0.00 C HETATM 1170 C2B HEM A 168 -9.857 -3.616 -8.870 1.00 0.00 C HETATM 1171 C3B HEM A 168 -9.991 -3.719 -7.531 1.00 0.00 C HETATM 1172 C4B HEM A 168 -8.955 -2.908 -6.937 1.00 0.00 C HETATM 1173 CMB HEM A 168 -10.690 -4.268 -9.935 1.00 0.00 C HETATM 1174 CAB HEM A 168 -11.007 -4.513 -6.762 1.00 0.00 C HETATM 1175 CBB HEM A 168 -11.046 -5.993 -7.130 1.00 0.00 C HETATM 1176 C1C HEM A 168 -7.519 -2.196 -4.960 1.00 0.00 C HETATM 1177 C2C HEM A 168 -7.384 -1.873 -3.559 1.00 0.00 C HETATM 1178 C3C HEM A 168 -6.241 -1.168 -3.422 1.00 0.00 C HETATM 1179 C4C HEM A 168 -5.657 -1.048 -4.736 1.00 0.00 C HETATM 1180 CMC HEM A 168 -8.360 -2.269 -2.489 1.00 0.00 C HETATM 1181 CAC HEM A 168 -5.652 -0.599 -2.164 1.00 0.00 C HETATM 1182 CBC HEM A 168 -5.642 -1.571 -0.988 1.00 0.00 C HETATM 1183 C1D HEM A 168 -3.948 -0.159 -6.293 1.00 0.00 C HETATM 1184 C2D HEM A 168 -2.728 0.561 -6.573 1.00 0.00 C HETATM 1185 C3D HEM A 168 -2.569 0.568 -7.913 1.00 0.00 C HETATM 1186 C4D HEM A 168 -3.689 -0.148 -8.477 1.00 0.00 C HETATM 1187 CMD HEM A 168 -1.833 1.171 -5.533 1.00 0.00 C HETATM 1188 CAD HEM A 168 -1.457 1.187 -8.709 1.00 0.00 C HETATM 1189 CBD HEM A 168 -1.157 2.635 -8.333 1.00 0.00 C HETATM 1190 CGD HEM A 168 0.341 2.906 -8.350 1.00 0.00 C HETATM 1191 O1D HEM A 168 0.982 2.615 -7.317 1.00 0.00 O HETATM 1192 O2D HEM A 168 0.817 3.400 -9.395 1.00 0.00 O HETATM 1193 NA HEM A 168 -6.126 -1.387 -9.696 1.00 0.00 N HETATM 1194 NB HEM A 168 -8.189 -2.310 -7.922 1.00 0.00 N HETATM 1195 NC HEM A 168 -6.451 -1.683 -5.675 1.00 0.00 N HETATM 1196 ND HEM A 168 -4.532 -0.590 -7.472 1.00 0.00 N HETATM 1197 FE HEM A 168 -6.363 -1.575 -7.579 1.00 0.00 FE HETATM 0 HMA1 HEM A 168 -7.856 -2.786 -13.097 1.00 0.00 H new HETATM 0 HMA2 HEM A 168 -6.474 -2.160 -14.028 1.00 0.00 H new HETATM 0 HMA3 HEM A 168 -7.809 -1.073 -13.578 1.00 0.00 H new HETATM 0 HMB1 HEM A 168 -10.711 -3.633 -10.820 1.00 0.00 H new HETATM 0 HMB2 HEM A 168 -11.706 -4.410 -9.566 1.00 0.00 H new HETATM 0 HMB3 HEM A 168 -10.259 -5.235 -10.193 1.00 0.00 H new HETATM 0 HMC1 HEM A 168 -7.832 -2.395 -1.544 1.00 0.00 H new HETATM 0 HMC2 HEM A 168 -8.841 -3.208 -2.764 1.00 0.00 H new HETATM 0 HMC3 HEM A 168 -9.117 -1.492 -2.381 1.00 0.00 H new HETATM 0 HMD1 HEM A 168 -0.804 1.169 -5.892 1.00 0.00 H new HETATM 0 HMD2 HEM A 168 -1.897 0.591 -4.612 1.00 0.00 H new HETATM 0 HMD3 HEM A 168 -2.147 2.196 -5.339 1.00 0.00 H new HETATM 0 HBB1 HEM A 168 -11.748 -6.660 -6.631 1.00 0.00 H new HETATM 0 HBB2 HEM A 168 -10.371 -6.383 -7.892 1.00 0.00 H new HETATM 0 HBC1 HEM A 168 -5.236 -1.258 -0.026 1.00 0.00 H new HETATM 0 HBC2 HEM A 168 -6.041 -2.578 -1.110 1.00 0.00 H new HETATM 0 HBA1 HEM A 168 -4.223 1.336 -11.949 1.00 0.00 H new HETATM 0 HBA2 HEM A 168 -4.793 1.385 -13.605 1.00 0.00 H new HETATM 0 HAA1 HEM A 168 -4.709 -0.915 -13.867 1.00 0.00 H new HETATM 0 HAA2 HEM A 168 -3.373 -1.107 -12.749 1.00 0.00 H new HETATM 0 HBD1 HEM A 168 -1.557 2.847 -7.341 1.00 0.00 H new HETATM 0 HBD2 HEM A 168 -1.659 3.306 -9.029 1.00 0.00 H new HETATM 0 HAD1 HEM A 168 -1.713 1.143 -9.768 1.00 0.00 H new HETATM 0 HAD2 HEM A 168 -0.553 0.593 -8.575 1.00 0.00 H new HETATM 0 HHA HEM A 168 -3.089 -0.086 -10.525 1.00 0.00 H new HETATM 0 HHB HEM A 168 -8.944 -2.569 -11.222 1.00 0.00 H new HETATM 0 HHC HEM A 168 -9.553 -3.056 -4.887 1.00 0.00 H new HETATM 0 HHD HEM A 168 -3.877 -0.006 -4.179 1.00 0.00 H new HETATM 0 HAB HEM A 168 -11.659 -4.071 -6.008 1.00 0.00 H new HETATM 0 HAC HEM A 168 -5.266 0.418 -2.097 1.00 0.00 H new