USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=9 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= -0.0254 (180deg=0) USER MOD Set 1.2: A 168 HEM CMA :methyl 150:sc= -0.231 (180deg=-0.201) USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.137 (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= -0.0195 X(o=-0.02,f=-0.13) 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= -3.46! C(o=-3.5!,f=-4.4!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -154:sc= -0.0606 (180deg=-0.43) USER MOD Single : A 59 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00813) 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+ 171:sc= 0 (180deg=-0.0672) USER MOD Single : A 130 HEM CMA :methyl -30:sc= -0.0418 (180deg=-0.118) USER MOD Single : A 130 HEM CMB :methyl -30:sc= -1.21 (180deg=-4.12!) USER MOD Single : A 130 HEM CMC :methyl 150:sc= -0.315 (180deg=-0.315) USER MOD Single : A 130 HEM CMD :methyl 150:sc= -0.347 (180deg=-0.347) USER MOD Single : A 154 HEM CMA :methyl 150:sc= -0.209 (180deg=-0.209) USER MOD Single : A 154 HEM CMB :methyl 150:sc= -1.55 (180deg=-1.55) USER MOD Single : A 154 HEM CMC :methyl -30:sc= -7.35! (180deg=-7.95!) USER MOD Single : A 154 HEM CMD :methyl 150:sc= -0.0709 (180deg=-0.0709) USER MOD Single : A 168 HEM CMB :methyl -30:sc= -0.191 (180deg=-1.24) USER MOD Single : A 168 HEM CMC :methyl 150:sc= -6.66! (180deg=-6.66!) USER MOD Single : A 168 HEM CMD :methyl 150:sc= -0.418 (180deg=-0.418) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.363 12.630 3.869 1.00 0.00 N ATOM 2 CA ALA A 1 5.963 12.712 4.248 1.00 0.00 C ATOM 3 C ALA A 1 5.382 11.299 4.344 1.00 0.00 C ATOM 4 O ALA A 1 6.080 10.319 4.089 1.00 0.00 O ATOM 5 CB ALA A 1 5.211 13.585 3.242 1.00 0.00 C ATOM 0 H1 ALA A 1 7.956 12.956 4.659 1.00 0.00 H new ATOM 0 H2 ALA A 1 7.603 11.645 3.639 1.00 0.00 H new ATOM 0 H3 ALA A 1 7.533 13.231 3.038 1.00 0.00 H new ATOM 0 HA ALA A 1 5.857 13.180 5.227 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.161 13.646 3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.644 14.585 3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.292 13.146 2.247 1.00 0.00 H new ATOM 11 N ASP A 2 4.111 11.241 4.713 1.00 0.00 N ATOM 12 CA ASP A 2 3.428 9.965 4.845 1.00 0.00 C ATOM 13 C ASP A 2 2.382 9.833 3.736 1.00 0.00 C ATOM 14 O ASP A 2 2.205 8.756 3.169 1.00 0.00 O ATOM 15 CB ASP A 2 2.707 9.863 6.190 1.00 0.00 C ATOM 16 CG ASP A 2 3.054 10.963 7.195 1.00 0.00 C ATOM 17 OD1 ASP A 2 2.249 11.871 7.453 1.00 0.00 O ATOM 18 OD2 ASP A 2 4.223 10.862 7.732 1.00 0.00 O ATOM 0 H ASP A 2 3.536 12.057 4.925 1.00 0.00 H new ATOM 0 HA ASP A 2 4.175 9.174 4.775 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.632 9.881 6.011 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.939 8.897 6.637 1.00 0.00 H new ATOM 24 N ASP A 3 1.716 10.945 3.460 1.00 0.00 N ATOM 25 CA ASP A 3 0.692 10.967 2.430 1.00 0.00 C ATOM 26 C ASP A 3 1.347 10.766 1.062 1.00 0.00 C ATOM 27 O ASP A 3 2.173 11.573 0.640 1.00 0.00 O ATOM 28 CB ASP A 3 -0.040 12.311 2.410 1.00 0.00 C ATOM 29 CG ASP A 3 -0.014 13.081 3.731 1.00 0.00 C ATOM 30 OD1 ASP A 3 -0.675 12.696 4.708 1.00 0.00 O ATOM 31 OD2 ASP A 3 0.733 14.132 3.736 1.00 0.00 O ATOM 0 H ASP A 3 1.866 11.837 3.932 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.021 10.171 2.646 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.401 12.936 1.634 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.079 12.138 2.128 1.00 0.00 H new ATOM 37 N ILE A 4 0.954 9.683 0.407 1.00 0.00 N ATOM 38 CA ILE A 4 1.492 9.365 -0.904 1.00 0.00 C ATOM 39 C ILE A 4 0.344 9.001 -1.848 1.00 0.00 C ATOM 40 O ILE A 4 -0.484 8.151 -1.525 1.00 0.00 O ATOM 41 CB ILE A 4 2.565 8.279 -0.794 1.00 0.00 C ATOM 42 CG1 ILE A 4 3.708 8.728 0.118 1.00 0.00 C ATOM 43 CG2 ILE A 4 3.067 7.861 -2.178 1.00 0.00 C ATOM 44 CD1 ILE A 4 4.914 7.797 -0.014 1.00 0.00 C ATOM 0 H ILE A 4 0.269 9.015 0.760 1.00 0.00 H new ATOM 0 HA ILE A 4 1.993 10.234 -1.331 1.00 0.00 H new ATOM 0 HB ILE A 4 2.114 7.399 -0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.001 9.747 -0.136 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.367 8.743 1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.828 7.089 -2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.235 7.471 -2.764 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.496 8.725 -2.686 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.712 8.139 0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.624 6.784 0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.267 7.803 -1.045 1.00 0.00 H new ATOM 56 N VAL A 5 0.332 9.662 -2.996 1.00 0.00 N ATOM 57 CA VAL A 5 -0.701 9.419 -3.989 1.00 0.00 C ATOM 58 C VAL A 5 -0.140 8.521 -5.092 1.00 0.00 C ATOM 59 O VAL A 5 0.839 8.874 -5.748 1.00 0.00 O ATOM 60 CB VAL A 5 -1.241 10.749 -4.518 1.00 0.00 C ATOM 61 CG1 VAL A 5 -2.272 10.521 -5.626 1.00 0.00 C ATOM 62 CG2 VAL A 5 -1.832 11.590 -3.385 1.00 0.00 C ATOM 0 H VAL A 5 1.021 10.366 -3.261 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.546 8.895 -3.541 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.406 11.303 -4.946 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.640 11.483 -5.984 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.807 9.980 -6.450 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.105 9.937 -5.234 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.209 12.530 -3.788 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.649 11.044 -2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.060 11.796 -2.644 1.00 0.00 H new ATOM 72 N LEU A 6 -0.784 7.376 -5.264 1.00 0.00 N ATOM 73 CA LEU A 6 -0.362 6.423 -6.277 1.00 0.00 C ATOM 74 C LEU A 6 -1.225 6.600 -7.528 1.00 0.00 C ATOM 75 O LEU A 6 -2.330 6.063 -7.604 1.00 0.00 O ATOM 76 CB LEU A 6 -0.377 5.001 -5.714 1.00 0.00 C ATOM 77 CG LEU A 6 0.577 4.729 -4.550 1.00 0.00 C ATOM 78 CD1 LEU A 6 0.184 3.453 -3.804 1.00 0.00 C ATOM 79 CD2 LEU A 6 2.030 4.689 -5.029 1.00 0.00 C ATOM 0 H LEU A 6 -1.596 7.086 -4.718 1.00 0.00 H new ATOM 0 HA LEU A 6 0.670 6.612 -6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.391 4.772 -5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.139 4.309 -6.522 1.00 0.00 H new ATOM 0 HG LEU A 6 0.494 5.553 -3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.879 3.284 -2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.826 3.559 -3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.219 2.606 -4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.687 4.494 -4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.147 3.897 -5.769 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.292 5.647 -5.478 1.00 0.00 H new ATOM 91 N LYS A 7 -0.689 7.353 -8.477 1.00 0.00 N ATOM 92 CA LYS A 7 -1.397 7.606 -9.720 1.00 0.00 C ATOM 93 C LYS A 7 -1.882 6.279 -10.306 1.00 0.00 C ATOM 94 O LYS A 7 -1.132 5.305 -10.350 1.00 0.00 O ATOM 95 CB LYS A 7 -0.523 8.418 -10.678 1.00 0.00 C ATOM 96 CG LYS A 7 -0.295 9.835 -10.145 1.00 0.00 C ATOM 97 CD LYS A 7 1.192 10.193 -10.160 1.00 0.00 C ATOM 98 CE LYS A 7 1.934 9.503 -9.014 1.00 0.00 C ATOM 99 NZ LYS A 7 3.174 10.238 -8.682 1.00 0.00 N ATOM 0 H LYS A 7 0.227 7.796 -8.410 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.282 8.216 -9.537 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.436 7.918 -10.813 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.999 8.466 -11.658 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.851 10.550 -10.752 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.681 9.912 -9.129 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.631 9.897 -11.113 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.310 11.273 -10.076 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.290 9.449 -8.136 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.176 8.478 -9.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.665 9.756 -7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.794 10.267 -9.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.936 11.208 -8.394 1.00 0.00 H new ATOM 112 N ALA A 8 -3.134 6.282 -10.740 1.00 0.00 N ATOM 113 CA ALA A 8 -3.727 5.090 -11.321 1.00 0.00 C ATOM 114 C ALA A 8 -4.746 5.500 -12.386 1.00 0.00 C ATOM 115 O ALA A 8 -5.482 6.469 -12.206 1.00 0.00 O ATOM 116 CB ALA A 8 -4.352 4.239 -10.214 1.00 0.00 C ATOM 0 H ALA A 8 -3.754 7.091 -10.701 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.966 4.482 -11.809 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.797 3.345 -10.650 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.582 3.950 -9.499 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.123 4.816 -9.703 1.00 0.00 H new ATOM 122 N LYS A 9 -4.755 4.742 -13.473 1.00 0.00 N ATOM 123 CA LYS A 9 -5.672 5.015 -14.568 1.00 0.00 C ATOM 124 C LYS A 9 -7.058 4.474 -14.213 1.00 0.00 C ATOM 125 O LYS A 9 -7.978 4.530 -15.028 1.00 0.00 O ATOM 126 CB LYS A 9 -5.115 4.465 -15.882 1.00 0.00 C ATOM 127 CG LYS A 9 -5.075 2.936 -15.864 1.00 0.00 C ATOM 128 CD LYS A 9 -6.269 2.347 -16.617 1.00 0.00 C ATOM 129 CE LYS A 9 -6.134 2.574 -18.124 1.00 0.00 C ATOM 130 NZ LYS A 9 -5.792 1.308 -18.810 1.00 0.00 N ATOM 0 H LYS A 9 -4.143 3.940 -13.619 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.778 6.089 -14.718 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.732 4.806 -16.713 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.111 4.857 -16.048 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.147 2.588 -16.317 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.079 2.581 -14.834 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.342 1.279 -16.412 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.191 2.804 -16.258 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.068 2.970 -18.523 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.363 3.319 -18.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.704 1.480 -19.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.890 0.946 -18.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.542 0.607 -18.640 1.00 0.00 H new ATOM 143 N ASN A 10 -7.165 3.961 -12.996 1.00 0.00 N ATOM 144 CA ASN A 10 -8.423 3.410 -12.524 1.00 0.00 C ATOM 145 C ASN A 10 -8.778 4.041 -11.176 1.00 0.00 C ATOM 146 O ASN A 10 -9.494 3.442 -10.375 1.00 0.00 O ATOM 147 CB ASN A 10 -8.322 1.896 -12.325 1.00 0.00 C ATOM 148 CG ASN A 10 -9.577 1.190 -12.840 1.00 0.00 C ATOM 149 OD1 ASN A 10 -9.979 1.338 -13.983 1.00 0.00 O ATOM 150 ND2 ASN A 10 -10.172 0.416 -11.937 1.00 0.00 N ATOM 0 H ASN A 10 -6.400 3.916 -12.323 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.186 3.625 -13.272 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.445 1.515 -12.849 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.183 1.673 -11.267 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.018 -0.098 -12.184 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.783 0.337 -10.998 1.00 0.00 H new ATOM 157 N GLY A 11 -8.260 5.243 -10.967 1.00 0.00 N ATOM 158 CA GLY A 11 -8.513 5.962 -9.730 1.00 0.00 C ATOM 159 C GLY A 11 -7.288 5.926 -8.814 1.00 0.00 C ATOM 160 O GLY A 11 -6.869 4.856 -8.375 1.00 0.00 O ATOM 0 H GLY A 11 -7.666 5.737 -11.634 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.774 6.996 -9.953 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.368 5.521 -9.217 1.00 0.00 H new ATOM 164 N ASP A 12 -6.748 7.107 -8.554 1.00 0.00 N ATOM 165 CA ASP A 12 -5.580 7.224 -7.698 1.00 0.00 C ATOM 166 C ASP A 12 -5.853 6.516 -6.370 1.00 0.00 C ATOM 167 O ASP A 12 -7.006 6.357 -5.973 1.00 0.00 O ATOM 168 CB ASP A 12 -5.262 8.690 -7.397 1.00 0.00 C ATOM 169 CG ASP A 12 -6.285 9.405 -6.512 1.00 0.00 C ATOM 170 OD1 ASP A 12 -7.143 8.766 -5.885 1.00 0.00 O ATOM 171 OD2 ASP A 12 -6.176 10.690 -6.481 1.00 0.00 O ATOM 0 H ASP A 12 -7.098 7.992 -8.921 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.735 6.772 -8.217 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.286 8.743 -6.914 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.180 9.230 -8.341 1.00 0.00 H new ATOM 177 N VAL A 13 -4.773 6.112 -5.718 1.00 0.00 N ATOM 178 CA VAL A 13 -4.882 5.425 -4.442 1.00 0.00 C ATOM 179 C VAL A 13 -4.165 6.242 -3.365 1.00 0.00 C ATOM 180 O VAL A 13 -2.970 6.512 -3.479 1.00 0.00 O ATOM 181 CB VAL A 13 -4.343 3.999 -4.568 1.00 0.00 C ATOM 182 CG1 VAL A 13 -4.472 3.245 -3.243 1.00 0.00 C ATOM 183 CG2 VAL A 13 -5.046 3.245 -5.699 1.00 0.00 C ATOM 0 H VAL A 13 -3.818 6.247 -6.049 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.927 5.338 -4.143 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.283 4.062 -4.816 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.082 2.234 -3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.905 3.766 -2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.521 3.197 -2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.644 2.234 -5.767 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.116 3.197 -5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.880 3.766 -6.642 1.00 0.00 H new ATOM 193 N LYS A 14 -4.924 6.613 -2.345 1.00 0.00 N ATOM 194 CA LYS A 14 -4.376 7.393 -1.249 1.00 0.00 C ATOM 195 C LYS A 14 -3.774 6.449 -0.207 1.00 0.00 C ATOM 196 O LYS A 14 -4.503 5.776 0.521 1.00 0.00 O ATOM 197 CB LYS A 14 -5.437 8.339 -0.682 1.00 0.00 C ATOM 198 CG LYS A 14 -4.795 9.432 0.176 1.00 0.00 C ATOM 199 CD LYS A 14 -4.332 8.870 1.522 1.00 0.00 C ATOM 200 CE LYS A 14 -4.978 9.628 2.683 1.00 0.00 C ATOM 201 NZ LYS A 14 -5.359 8.692 3.765 1.00 0.00 N ATOM 0 H LYS A 14 -5.915 6.388 -2.254 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.568 8.033 -1.604 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.997 8.795 -1.499 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.151 7.774 -0.083 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.946 9.863 -0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.511 10.238 0.341 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.588 7.812 1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.247 8.940 1.596 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.284 10.375 3.068 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.859 10.163 2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.796 9.223 4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.038 7.995 3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.511 8.200 4.113 1.00 0.00 H new ATOM 214 N PHE A 15 -2.450 6.428 -0.168 1.00 0.00 N ATOM 215 CA PHE A 15 -1.742 5.577 0.773 1.00 0.00 C ATOM 216 C PHE A 15 -1.072 6.410 1.869 1.00 0.00 C ATOM 217 O PHE A 15 -0.207 7.245 1.617 1.00 0.00 O ATOM 218 CB PHE A 15 -0.663 4.836 -0.018 1.00 0.00 C ATOM 219 CG PHE A 15 0.241 3.950 0.841 1.00 0.00 C ATOM 220 CD1 PHE A 15 -0.295 2.930 1.564 1.00 0.00 C ATOM 221 CD2 PHE A 15 1.581 4.182 0.881 1.00 0.00 C ATOM 222 CE1 PHE A 15 0.544 2.108 2.362 1.00 0.00 C ATOM 223 CE2 PHE A 15 2.420 3.359 1.679 1.00 0.00 C ATOM 224 CZ PHE A 15 1.884 2.340 2.402 1.00 0.00 C ATOM 0 H PHE A 15 -1.849 6.987 -0.773 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.440 4.890 1.251 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.143 4.219 -0.778 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.046 5.566 -0.543 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.359 2.745 1.531 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.007 4.991 0.306 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.119 1.299 2.937 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.484 3.543 1.711 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.522 1.714 3.008 1.00 0.00 H new ATOM 234 N PRO A 16 -1.500 6.159 3.109 1.00 0.00 N ATOM 235 CA PRO A 16 -1.004 6.826 4.293 1.00 0.00 C ATOM 236 C PRO A 16 0.282 6.156 4.756 1.00 0.00 C ATOM 237 O PRO A 16 0.208 5.169 5.485 1.00 0.00 O ATOM 238 CB PRO A 16 -2.112 6.659 5.330 1.00 0.00 C ATOM 239 CG PRO A 16 -2.812 5.412 4.921 1.00 0.00 C ATOM 240 CD PRO A 16 -2.516 5.184 3.441 1.00 0.00 C ATOM 0 HA PRO A 16 -0.771 7.877 4.121 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.705 6.575 6.337 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.789 7.513 5.330 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.467 4.566 5.516 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.885 5.502 5.088 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.163 4.169 3.261 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.410 5.323 2.833 1.00 0.00 H new ATOM 248 N HIS A 17 1.417 6.693 4.332 1.00 0.00 N ATOM 249 CA HIS A 17 2.700 6.129 4.715 1.00 0.00 C ATOM 250 C HIS A 17 3.045 6.560 6.142 1.00 0.00 C ATOM 251 O HIS A 17 4.133 7.075 6.393 1.00 0.00 O ATOM 252 CB HIS A 17 3.784 6.508 3.704 1.00 0.00 C ATOM 253 CG HIS A 17 5.123 5.862 3.967 1.00 0.00 C ATOM 254 ND1 HIS A 17 5.970 6.278 4.979 1.00 0.00 N ATOM 255 CD2 HIS A 17 5.751 4.825 3.342 1.00 0.00 C ATOM 256 CE1 HIS A 17 7.056 5.520 4.954 1.00 0.00 C ATOM 257 NE2 HIS A 17 6.919 4.621 3.938 1.00 0.00 N ATOM 0 H HIS A 17 1.474 7.512 3.727 1.00 0.00 H new ATOM 0 HA HIS A 17 2.640 5.041 4.705 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.448 6.230 2.705 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.908 7.591 3.708 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.789 7.039 5.633 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.363 4.265 2.504 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.901 5.600 5.621 1.00 0.00 H new ATOM 265 N LYS A 18 2.097 6.333 7.040 1.00 0.00 N ATOM 266 CA LYS A 18 2.286 6.691 8.435 1.00 0.00 C ATOM 267 C LYS A 18 1.655 5.617 9.323 1.00 0.00 C ATOM 268 O LYS A 18 2.361 4.890 10.021 1.00 0.00 O ATOM 269 CB LYS A 18 1.755 8.100 8.703 1.00 0.00 C ATOM 270 CG LYS A 18 1.190 8.213 10.121 1.00 0.00 C ATOM 271 CD LYS A 18 1.036 9.678 10.535 1.00 0.00 C ATOM 272 CE LYS A 18 0.161 9.805 11.784 1.00 0.00 C ATOM 273 NZ LYS A 18 -0.139 11.227 12.063 1.00 0.00 N ATOM 0 H LYS A 18 1.196 5.905 6.828 1.00 0.00 H new ATOM 0 HA LYS A 18 3.348 6.724 8.679 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.557 8.826 8.568 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.979 8.344 7.978 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.223 7.713 10.172 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.850 7.701 10.821 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.018 10.110 10.729 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.593 10.246 9.717 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.768 9.252 11.643 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.670 9.360 12.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.734 11.296 12.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.749 11.745 12.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.644 11.641 11.253 1.00 0.00 H new ATOM 286 N ALA A 19 0.333 5.550 9.267 1.00 0.00 N ATOM 287 CA ALA A 19 -0.401 4.576 10.058 1.00 0.00 C ATOM 288 C ALA A 19 0.153 3.177 9.779 1.00 0.00 C ATOM 289 O ALA A 19 -0.003 2.270 10.595 1.00 0.00 O ATOM 290 CB ALA A 19 -1.894 4.685 9.745 1.00 0.00 C ATOM 0 H ALA A 19 -0.249 6.154 8.686 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.276 4.774 11.123 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.444 3.955 10.338 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.244 5.688 9.988 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.059 4.490 8.685 1.00 0.00 H new ATOM 296 N HIS A 20 0.788 3.047 8.624 1.00 0.00 N ATOM 297 CA HIS A 20 1.365 1.774 8.227 1.00 0.00 C ATOM 298 C HIS A 20 2.718 1.586 8.917 1.00 0.00 C ATOM 299 O HIS A 20 3.411 0.600 8.675 1.00 0.00 O ATOM 300 CB HIS A 20 1.459 1.671 6.703 1.00 0.00 C ATOM 301 CG HIS A 20 0.158 1.300 6.032 1.00 0.00 C ATOM 302 ND1 HIS A 20 -0.791 2.238 5.666 1.00 0.00 N ATOM 303 CD2 HIS A 20 -0.340 0.084 5.664 1.00 0.00 C ATOM 304 CE1 HIS A 20 -1.811 1.605 5.105 1.00 0.00 C ATOM 305 NE2 HIS A 20 -1.530 0.270 5.105 1.00 0.00 N ATOM 0 H HIS A 20 0.916 3.802 7.950 1.00 0.00 H new ATOM 0 HA HIS A 20 0.715 0.961 8.549 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.802 2.626 6.305 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.214 0.928 6.445 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -0.718 3.246 5.805 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.150 -0.868 5.804 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.707 2.065 4.716 1.00 0.00 H new ATOM 313 N GLN A 21 3.052 2.549 9.765 1.00 0.00 N ATOM 314 CA GLN A 21 4.308 2.502 10.493 1.00 0.00 C ATOM 315 C GLN A 21 4.092 1.916 11.889 1.00 0.00 C ATOM 316 O GLN A 21 4.760 0.958 12.275 1.00 0.00 O ATOM 317 CB GLN A 21 4.947 3.890 10.573 1.00 0.00 C ATOM 318 CG GLN A 21 5.367 4.382 9.187 1.00 0.00 C ATOM 319 CD GLN A 21 5.546 5.901 9.175 1.00 0.00 C ATOM 320 OE1 GLN A 21 5.212 6.599 10.119 1.00 0.00 O ATOM 321 NE2 GLN A 21 6.090 6.373 8.057 1.00 0.00 N ATOM 0 H GLN A 21 2.474 3.366 9.964 1.00 0.00 H new ATOM 0 HA GLN A 21 4.995 1.852 9.951 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.241 4.594 11.014 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.816 3.857 11.230 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.300 3.900 8.893 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.615 4.095 8.452 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.346 5.733 7.305 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.251 7.375 7.951 1.00 0.00 H new ATOM 330 N LYS A 22 3.155 2.516 12.609 1.00 0.00 N ATOM 331 CA LYS A 22 2.842 2.066 13.955 1.00 0.00 C ATOM 332 C LYS A 22 2.217 0.671 13.888 1.00 0.00 C ATOM 333 O LYS A 22 2.299 -0.096 14.846 1.00 0.00 O ATOM 334 CB LYS A 22 1.972 3.097 14.676 1.00 0.00 C ATOM 335 CG LYS A 22 2.788 4.333 15.056 1.00 0.00 C ATOM 336 CD LYS A 22 3.216 4.278 16.524 1.00 0.00 C ATOM 337 CE LYS A 22 2.840 5.568 17.255 1.00 0.00 C ATOM 338 NZ LYS A 22 2.305 5.264 18.601 1.00 0.00 N ATOM 0 H LYS A 22 2.602 3.310 12.286 1.00 0.00 H new ATOM 0 HA LYS A 22 3.751 1.980 14.550 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.141 3.389 14.034 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.541 2.651 15.573 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.670 4.401 14.419 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.197 5.232 14.879 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.741 3.427 17.013 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.293 4.121 16.587 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.715 6.212 17.342 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.096 6.117 16.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.055 6.151 19.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.458 4.668 18.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.026 4.760 19.155 1.00 0.00 H new ATOM 351 N ALA A 23 1.605 0.385 12.748 1.00 0.00 N ATOM 352 CA ALA A 23 0.966 -0.904 12.544 1.00 0.00 C ATOM 353 C ALA A 23 2.019 -1.929 12.121 1.00 0.00 C ATOM 354 O ALA A 23 1.885 -3.118 12.410 1.00 0.00 O ATOM 355 CB ALA A 23 -0.156 -0.760 11.513 1.00 0.00 C ATOM 0 H ALA A 23 1.538 1.024 11.956 1.00 0.00 H new ATOM 0 HA ALA A 23 0.514 -1.259 13.470 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.636 -1.727 11.360 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.893 -0.043 11.875 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.260 -0.408 10.569 1.00 0.00 H new ATOM 361 N VAL A 24 3.044 -1.433 11.444 1.00 0.00 N ATOM 362 CA VAL A 24 4.120 -2.291 10.978 1.00 0.00 C ATOM 363 C VAL A 24 5.461 -1.595 11.216 1.00 0.00 C ATOM 364 O VAL A 24 6.212 -1.293 10.291 1.00 0.00 O ATOM 365 CB VAL A 24 3.892 -2.667 9.512 1.00 0.00 C ATOM 366 CG1 VAL A 24 4.997 -3.597 9.007 1.00 0.00 C ATOM 367 CG2 VAL A 24 2.512 -3.297 9.316 1.00 0.00 C ATOM 0 H VAL A 24 3.152 -0.447 11.207 1.00 0.00 H new ATOM 0 HA VAL A 24 4.135 -3.225 11.540 1.00 0.00 H new ATOM 0 HB VAL A 24 3.929 -1.752 8.921 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.811 -3.849 7.963 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.961 -3.097 9.094 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.006 -4.509 9.604 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.376 -3.555 8.266 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.434 -4.198 9.924 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.742 -2.587 9.618 1.00 0.00 H new ATOM 377 N PRO A 25 5.748 -1.344 12.495 1.00 0.00 N ATOM 378 CA PRO A 25 6.960 -0.697 12.948 1.00 0.00 C ATOM 379 C PRO A 25 8.143 -1.201 12.132 1.00 0.00 C ATOM 380 O PRO A 25 9.118 -0.465 11.983 1.00 0.00 O ATOM 381 CB PRO A 25 7.095 -1.099 14.415 1.00 0.00 C ATOM 382 CG PRO A 25 5.640 -1.210 14.848 1.00 0.00 C ATOM 383 CD PRO A 25 4.887 -1.685 13.607 1.00 0.00 C ATOM 0 HA PRO A 25 6.932 0.386 12.832 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.629 -2.042 14.532 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.637 -0.352 14.995 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.527 -1.916 15.671 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.259 -0.250 15.196 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.698 -2.758 13.646 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.918 -1.194 13.521 1.00 0.00 H new ATOM 391 N ASP A 26 8.040 -2.422 11.630 1.00 0.00 N ATOM 392 CA ASP A 26 9.113 -2.998 10.838 1.00 0.00 C ATOM 393 C ASP A 26 9.025 -2.470 9.405 1.00 0.00 C ATOM 394 O ASP A 26 8.084 -2.789 8.679 1.00 0.00 O ATOM 395 CB ASP A 26 9.003 -4.523 10.787 1.00 0.00 C ATOM 396 CG ASP A 26 10.137 -5.229 10.041 1.00 0.00 C ATOM 397 OD1 ASP A 26 9.923 -5.836 8.981 1.00 0.00 O ATOM 398 OD2 ASP A 26 11.296 -5.138 10.599 1.00 0.00 O ATOM 0 H ASP A 26 7.230 -3.029 11.756 1.00 0.00 H new ATOM 0 HA ASP A 26 10.060 -2.720 11.301 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.967 -4.904 11.808 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.057 -4.788 10.315 1.00 0.00 H new ATOM 404 N CYS A 27 10.016 -1.671 9.040 1.00 0.00 N ATOM 405 CA CYS A 27 10.062 -1.095 7.707 1.00 0.00 C ATOM 406 C CYS A 27 10.637 -2.142 6.751 1.00 0.00 C ATOM 407 O CYS A 27 10.549 -1.990 5.534 1.00 0.00 O ATOM 408 CB CYS A 27 10.867 0.206 7.680 1.00 0.00 C ATOM 409 SG CYS A 27 10.720 1.231 9.188 1.00 0.00 S ATOM 0 H CYS A 27 10.794 -1.408 9.645 1.00 0.00 H new ATOM 0 HA CYS A 27 9.054 -0.828 7.389 1.00 0.00 H new ATOM 0 HB2 CYS A 27 11.918 -0.037 7.524 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.546 0.798 6.823 1.00 0.00 H new ATOM 414 N LYS A 28 11.211 -3.181 7.339 1.00 0.00 N ATOM 415 CA LYS A 28 11.800 -4.253 6.554 1.00 0.00 C ATOM 416 C LYS A 28 10.689 -5.165 6.030 1.00 0.00 C ATOM 417 O LYS A 28 10.953 -6.100 5.275 1.00 0.00 O ATOM 418 CB LYS A 28 12.867 -4.989 7.367 1.00 0.00 C ATOM 419 CG LYS A 28 14.115 -4.121 7.545 1.00 0.00 C ATOM 420 CD LYS A 28 15.318 -4.737 6.827 1.00 0.00 C ATOM 421 CE LYS A 28 16.348 -3.665 6.466 1.00 0.00 C ATOM 422 NZ LYS A 28 17.562 -4.287 5.891 1.00 0.00 N ATOM 0 H LYS A 28 11.281 -3.304 8.349 1.00 0.00 H new ATOM 0 HA LYS A 28 12.318 -3.848 5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.464 -5.258 8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.135 -5.919 6.865 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.926 -3.121 7.154 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.338 -4.011 8.606 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.780 -5.490 7.465 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.985 -5.246 5.922 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.917 -2.964 5.751 1.00 0.00 H new ATOM 0 HE3 LYS A 28 16.612 -3.092 7.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 18.251 -3.546 5.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 17.981 -4.938 6.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 17.308 -4.815 5.032 1.00 0.00 H new ATOM 435 N LYS A 29 9.470 -4.862 6.451 1.00 0.00 N ATOM 436 CA LYS A 29 8.318 -5.643 6.034 1.00 0.00 C ATOM 437 C LYS A 29 8.076 -5.428 4.539 1.00 0.00 C ATOM 438 O LYS A 29 7.905 -6.389 3.790 1.00 0.00 O ATOM 439 CB LYS A 29 7.104 -5.316 6.907 1.00 0.00 C ATOM 440 CG LYS A 29 6.947 -6.339 8.033 1.00 0.00 C ATOM 441 CD LYS A 29 6.328 -7.637 7.512 1.00 0.00 C ATOM 442 CE LYS A 29 5.026 -7.958 8.248 1.00 0.00 C ATOM 443 NZ LYS A 29 4.585 -9.338 7.944 1.00 0.00 N ATOM 0 H LYS A 29 9.255 -4.086 7.077 1.00 0.00 H new ATOM 0 HA LYS A 29 8.507 -6.707 6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.215 -4.318 7.331 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.203 -5.304 6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.920 -6.549 8.477 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.320 -5.924 8.822 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.133 -7.548 6.443 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.034 -8.458 7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.171 -7.845 9.322 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.251 -7.249 7.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.700 -9.539 8.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.427 -9.434 6.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.318 -10.011 8.246 1.00 0.00 H new ATOM 456 N CYS A 30 8.070 -4.162 4.149 1.00 0.00 N ATOM 457 CA CYS A 30 7.852 -3.809 2.756 1.00 0.00 C ATOM 458 C CYS A 30 9.210 -3.514 2.117 1.00 0.00 C ATOM 459 O CYS A 30 9.554 -4.092 1.088 1.00 0.00 O ATOM 460 CB CYS A 30 6.887 -2.630 2.616 1.00 0.00 C ATOM 461 SG CYS A 30 5.451 -2.860 3.727 1.00 0.00 S ATOM 0 H CYS A 30 8.213 -3.368 4.773 1.00 0.00 H new ATOM 0 HA CYS A 30 7.381 -4.643 2.236 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.400 -1.699 2.859 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.548 -2.547 1.583 1.00 0.00 H new ATOM 466 N HIS A 31 9.945 -2.614 2.754 1.00 0.00 N ATOM 467 CA HIS A 31 11.258 -2.235 2.261 1.00 0.00 C ATOM 468 C HIS A 31 12.239 -3.391 2.471 1.00 0.00 C ATOM 469 O HIS A 31 12.695 -3.627 3.588 1.00 0.00 O ATOM 470 CB HIS A 31 11.729 -0.933 2.912 1.00 0.00 C ATOM 471 CG HIS A 31 10.831 0.250 2.638 1.00 0.00 C ATOM 472 ND1 HIS A 31 10.635 0.763 1.368 1.00 0.00 N ATOM 473 CD2 HIS A 31 10.079 1.013 3.482 1.00 0.00 C ATOM 474 CE1 HIS A 31 9.802 1.790 1.456 1.00 0.00 C ATOM 475 NE2 HIS A 31 9.459 1.943 2.767 1.00 0.00 N ATOM 0 H HIS A 31 9.656 -2.136 3.608 1.00 0.00 H new ATOM 0 HA HIS A 31 11.205 -2.039 1.190 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.798 -1.082 3.990 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.734 -0.704 2.557 1.00 0.00 H new ATOM 0 HD1 HIS A 31 11.059 0.411 0.510 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.001 0.882 4.551 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.456 2.399 0.634 1.00 0.00 H new ATOM 483 N GLU A 32 12.533 -4.081 1.378 1.00 0.00 N ATOM 484 CA GLU A 32 13.451 -5.206 1.429 1.00 0.00 C ATOM 485 C GLU A 32 14.897 -4.717 1.320 1.00 0.00 C ATOM 486 O GLU A 32 15.748 -5.102 2.120 1.00 0.00 O ATOM 487 CB GLU A 32 13.132 -6.223 0.332 1.00 0.00 C ATOM 488 CG GLU A 32 12.707 -7.564 0.934 1.00 0.00 C ATOM 489 CD GLU A 32 11.280 -7.493 1.480 1.00 0.00 C ATOM 490 OE1 GLU A 32 11.058 -7.751 2.672 1.00 0.00 O ATOM 491 OE2 GLU A 32 10.383 -7.154 0.617 1.00 0.00 O ATOM 0 H GLU A 32 12.152 -3.883 0.453 1.00 0.00 H new ATOM 0 HA GLU A 32 13.329 -5.706 2.390 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.336 -5.838 -0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.007 -6.366 -0.302 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.771 -8.344 0.175 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.393 -7.841 1.735 1.00 0.00 H new ATOM 499 N LYS A 33 15.130 -3.876 0.323 1.00 0.00 N ATOM 500 CA LYS A 33 16.458 -3.331 0.099 1.00 0.00 C ATOM 501 C LYS A 33 16.594 -2.006 0.851 1.00 0.00 C ATOM 502 O LYS A 33 17.316 -1.111 0.414 1.00 0.00 O ATOM 503 CB LYS A 33 16.746 -3.220 -1.400 1.00 0.00 C ATOM 504 CG LYS A 33 16.830 -4.604 -2.046 1.00 0.00 C ATOM 505 CD LYS A 33 17.878 -4.626 -3.161 1.00 0.00 C ATOM 506 CE LYS A 33 18.527 -6.006 -3.276 1.00 0.00 C ATOM 507 NZ LYS A 33 19.584 -5.997 -4.313 1.00 0.00 N ATOM 0 H LYS A 33 14.421 -3.559 -0.339 1.00 0.00 H new ATOM 0 HA LYS A 33 17.218 -4.003 0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.962 -2.637 -1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.683 -2.685 -1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.083 -5.347 -1.290 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.857 -4.880 -2.451 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.411 -4.360 -4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.643 -3.876 -2.961 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.954 -6.295 -2.316 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.771 -6.750 -3.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.014 -6.942 -4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.167 -5.742 -5.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 20.314 -5.301 -4.059 1.00 0.00 H new ATOM 520 N GLY A 34 15.889 -1.922 1.970 1.00 0.00 N ATOM 521 CA GLY A 34 15.922 -0.721 2.787 1.00 0.00 C ATOM 522 C GLY A 34 14.891 0.300 2.302 1.00 0.00 C ATOM 523 O GLY A 34 14.276 0.157 1.248 1.00 0.00 O ATOM 0 H GLY A 34 15.292 -2.666 2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.722 -0.979 3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.919 -0.281 2.753 1.00 0.00 H new ATOM 527 N PRO A 35 14.714 1.349 3.109 1.00 0.00 N ATOM 528 CA PRO A 35 13.792 2.434 2.847 1.00 0.00 C ATOM 529 C PRO A 35 14.081 3.029 1.476 1.00 0.00 C ATOM 530 O PRO A 35 15.250 3.143 1.113 1.00 0.00 O ATOM 531 CB PRO A 35 14.059 3.451 3.953 1.00 0.00 C ATOM 532 CG PRO A 35 15.506 3.065 4.521 1.00 0.00 C ATOM 533 CD PRO A 35 15.419 1.549 4.356 1.00 0.00 C ATOM 0 HA PRO A 35 12.750 2.114 2.842 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.045 4.470 3.566 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.300 3.396 4.733 1.00 0.00 H new ATOM 0 HG2 PRO A 35 16.318 3.507 3.944 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.648 3.370 5.558 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.411 1.098 4.326 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.886 1.091 5.189 1.00 0.00 H new ATOM 541 N GLY A 36 13.032 3.391 0.752 1.00 0.00 N ATOM 542 CA GLY A 36 13.198 3.968 -0.570 1.00 0.00 C ATOM 543 C GLY A 36 12.146 3.427 -1.541 1.00 0.00 C ATOM 544 O GLY A 36 11.190 2.775 -1.125 1.00 0.00 O ATOM 0 H GLY A 36 12.063 3.296 1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 36 13.118 5.053 -0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 36 14.196 3.742 -0.946 1.00 0.00 H new ATOM 548 N LYS A 37 12.359 3.718 -2.816 1.00 0.00 N ATOM 549 CA LYS A 37 11.441 3.270 -3.849 1.00 0.00 C ATOM 550 C LYS A 37 11.514 1.745 -3.963 1.00 0.00 C ATOM 551 O LYS A 37 12.552 1.147 -3.683 1.00 0.00 O ATOM 552 CB LYS A 37 11.719 3.998 -5.166 1.00 0.00 C ATOM 553 CG LYS A 37 10.968 5.330 -5.224 1.00 0.00 C ATOM 554 CD LYS A 37 11.925 6.508 -5.034 1.00 0.00 C ATOM 555 CE LYS A 37 12.016 7.352 -6.308 1.00 0.00 C ATOM 556 NZ LYS A 37 11.248 8.608 -6.153 1.00 0.00 N ATOM 0 H LYS A 37 13.154 4.259 -3.157 1.00 0.00 H new ATOM 0 HA LYS A 37 10.415 3.523 -3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.790 4.175 -5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.418 3.369 -6.004 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.458 5.422 -6.183 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.200 5.352 -4.451 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.583 7.129 -4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.915 6.138 -4.767 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.059 7.581 -6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.630 6.785 -7.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.320 9.169 -7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.250 8.384 -5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.634 9.155 -5.357 1.00 0.00 H new ATOM 569 N ILE A 38 10.398 1.161 -4.374 1.00 0.00 N ATOM 570 CA ILE A 38 10.323 -0.282 -4.528 1.00 0.00 C ATOM 571 C ILE A 38 10.288 -0.631 -6.018 1.00 0.00 C ATOM 572 O ILE A 38 9.374 -0.224 -6.733 1.00 0.00 O ATOM 573 CB ILE A 38 9.139 -0.844 -3.738 1.00 0.00 C ATOM 574 CG1 ILE A 38 9.207 -0.416 -2.270 1.00 0.00 C ATOM 575 CG2 ILE A 38 9.051 -2.364 -3.889 1.00 0.00 C ATOM 576 CD1 ILE A 38 7.886 -0.703 -1.554 1.00 0.00 C ATOM 0 H ILE A 38 9.539 1.660 -4.605 1.00 0.00 H new ATOM 0 HA ILE A 38 11.211 -0.756 -4.109 1.00 0.00 H new ATOM 0 HB ILE A 38 8.222 -0.426 -4.153 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.018 -0.945 -1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.435 0.648 -2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.201 -2.738 -3.318 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.921 -2.618 -4.941 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.968 -2.820 -3.516 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.961 -0.390 -0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.081 -0.153 -2.041 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.673 -1.771 -1.597 1.00 0.00 H new ATOM 588 N GLU A 39 11.296 -1.380 -6.441 1.00 0.00 N ATOM 589 CA GLU A 39 11.392 -1.788 -7.832 1.00 0.00 C ATOM 590 C GLU A 39 10.556 -3.046 -8.076 1.00 0.00 C ATOM 591 O GLU A 39 10.617 -3.996 -7.298 1.00 0.00 O ATOM 592 CB GLU A 39 12.850 -2.012 -8.238 1.00 0.00 C ATOM 593 CG GLU A 39 13.504 -3.085 -7.365 1.00 0.00 C ATOM 594 CD GLU A 39 14.062 -4.223 -8.221 1.00 0.00 C ATOM 595 OE1 GLU A 39 13.454 -5.302 -8.291 1.00 0.00 O ATOM 596 OE2 GLU A 39 15.168 -3.957 -8.829 1.00 0.00 O ATOM 0 H GLU A 39 12.053 -1.715 -5.845 1.00 0.00 H new ATOM 0 HA GLU A 39 10.995 -0.985 -8.453 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.898 -2.311 -9.285 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.404 -1.078 -8.148 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.307 -2.641 -6.777 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.773 -3.480 -6.660 1.00 0.00 H new ATOM 604 N GLY A 40 9.794 -3.010 -9.159 1.00 0.00 N ATOM 605 CA GLY A 40 8.946 -4.135 -9.515 1.00 0.00 C ATOM 606 C GLY A 40 7.485 -3.855 -9.160 1.00 0.00 C ATOM 607 O GLY A 40 6.578 -4.251 -9.890 1.00 0.00 O ATOM 0 H GLY A 40 9.746 -2.219 -9.802 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.032 -4.336 -10.583 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.285 -5.030 -8.994 1.00 0.00 H new ATOM 611 N PHE A 41 7.302 -3.174 -8.038 1.00 0.00 N ATOM 612 CA PHE A 41 5.967 -2.837 -7.576 1.00 0.00 C ATOM 613 C PHE A 41 5.057 -2.469 -8.751 1.00 0.00 C ATOM 614 O PHE A 41 5.539 -2.125 -9.829 1.00 0.00 O ATOM 615 CB PHE A 41 6.105 -1.623 -6.655 1.00 0.00 C ATOM 616 CG PHE A 41 4.791 -1.177 -6.012 1.00 0.00 C ATOM 617 CD1 PHE A 41 4.254 -1.898 -4.991 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.159 -0.059 -6.460 1.00 0.00 C ATOM 619 CE1 PHE A 41 3.034 -1.484 -4.394 1.00 0.00 C ATOM 620 CE2 PHE A 41 2.939 0.355 -5.863 1.00 0.00 C ATOM 621 CZ PHE A 41 2.402 -0.366 -4.843 1.00 0.00 C ATOM 0 H PHE A 41 8.057 -2.847 -7.435 1.00 0.00 H new ATOM 0 HA PHE A 41 5.525 -3.690 -7.061 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.822 -1.857 -5.868 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.519 -0.792 -7.226 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.756 -2.785 -4.634 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.585 0.514 -7.270 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.608 -2.057 -3.584 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.438 1.243 -6.219 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.474 -0.051 -4.389 1.00 0.00 H new ATOM 631 N GLY A 42 3.759 -2.556 -8.502 1.00 0.00 N ATOM 632 CA GLY A 42 2.778 -2.237 -9.526 1.00 0.00 C ATOM 633 C GLY A 42 1.398 -2.781 -9.151 1.00 0.00 C ATOM 634 O GLY A 42 1.096 -2.959 -7.972 1.00 0.00 O ATOM 0 H GLY A 42 3.363 -2.843 -7.607 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.723 -1.156 -9.658 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.092 -2.660 -10.480 1.00 0.00 H new ATOM 638 N LYS A 43 0.598 -3.031 -10.177 1.00 0.00 N ATOM 639 CA LYS A 43 -0.743 -3.552 -9.970 1.00 0.00 C ATOM 640 C LYS A 43 -0.657 -4.901 -9.254 1.00 0.00 C ATOM 641 O LYS A 43 -0.883 -4.983 -8.048 1.00 0.00 O ATOM 642 CB LYS A 43 -1.507 -3.606 -11.295 1.00 0.00 C ATOM 643 CG LYS A 43 -3.018 -3.605 -11.057 1.00 0.00 C ATOM 644 CD LYS A 43 -3.719 -4.604 -11.979 1.00 0.00 C ATOM 645 CE LYS A 43 -4.145 -3.938 -13.288 1.00 0.00 C ATOM 646 NZ LYS A 43 -5.060 -4.821 -14.046 1.00 0.00 N ATOM 0 H LYS A 43 0.852 -2.883 -11.154 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.315 -2.885 -9.325 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.232 -2.751 -11.913 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.223 -4.502 -11.847 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.226 -3.857 -10.017 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.416 -2.605 -11.229 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.051 -5.438 -12.192 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.593 -5.017 -11.476 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.638 -2.989 -13.076 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.265 -3.712 -13.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.339 -4.353 -14.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.577 -5.716 -14.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.907 -5.015 -13.475 1.00 0.00 H new ATOM 659 N GLU A 44 -0.330 -5.926 -10.028 1.00 0.00 N ATOM 660 CA GLU A 44 -0.211 -7.267 -9.483 1.00 0.00 C ATOM 661 C GLU A 44 0.344 -7.214 -8.058 1.00 0.00 C ATOM 662 O GLU A 44 -0.053 -8.004 -7.203 1.00 0.00 O ATOM 663 CB GLU A 44 0.662 -8.148 -10.379 1.00 0.00 C ATOM 664 CG GLU A 44 -0.139 -8.684 -11.568 1.00 0.00 C ATOM 665 CD GLU A 44 -1.202 -7.677 -12.012 1.00 0.00 C ATOM 666 OE1 GLU A 44 -2.268 -7.584 -11.385 1.00 0.00 O ATOM 667 OE2 GLU A 44 -0.888 -6.974 -13.047 1.00 0.00 O ATOM 0 H GLU A 44 -0.144 -5.854 -11.028 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.205 -7.713 -9.448 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.515 -7.574 -10.740 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.061 -8.981 -9.799 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.534 -8.897 -12.398 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.616 -9.625 -11.295 1.00 0.00 H new ATOM 675 N MET A 45 1.255 -6.275 -7.847 1.00 0.00 N ATOM 676 CA MET A 45 1.869 -6.108 -6.541 1.00 0.00 C ATOM 677 C MET A 45 0.869 -5.537 -5.533 1.00 0.00 C ATOM 678 O MET A 45 0.608 -6.147 -4.498 1.00 0.00 O ATOM 679 CB MET A 45 3.070 -5.167 -6.657 1.00 0.00 C ATOM 680 CG MET A 45 4.207 -5.613 -5.734 1.00 0.00 C ATOM 681 SD MET A 45 5.206 -6.847 -6.549 1.00 0.00 S ATOM 682 CE MET A 45 6.530 -7.007 -5.362 1.00 0.00 C ATOM 0 H MET A 45 1.583 -5.622 -8.559 1.00 0.00 H new ATOM 0 HA MET A 45 2.195 -7.086 -6.187 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.421 -5.145 -7.689 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.767 -4.151 -6.402 1.00 0.00 H new ATOM 0 HG2 MET A 45 4.823 -4.756 -5.462 1.00 0.00 H new ATOM 0 HG3 MET A 45 3.798 -6.018 -4.808 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.250 -7.745 -5.717 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.027 -6.045 -5.240 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.123 -7.329 -4.404 1.00 0.00 H new ATOM 692 N ALA A 46 0.336 -4.372 -5.872 1.00 0.00 N ATOM 693 CA ALA A 46 -0.630 -3.712 -5.011 1.00 0.00 C ATOM 694 C ALA A 46 -1.743 -4.697 -4.650 1.00 0.00 C ATOM 695 O ALA A 46 -2.056 -4.883 -3.475 1.00 0.00 O ATOM 696 CB ALA A 46 -1.164 -2.459 -5.708 1.00 0.00 C ATOM 0 H ALA A 46 0.555 -3.868 -6.732 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.159 -3.392 -4.082 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.889 -1.964 -5.062 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.338 -1.778 -5.915 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.646 -2.741 -6.644 1.00 0.00 H new ATOM 702 N HIS A 47 -2.310 -5.304 -5.683 1.00 0.00 N ATOM 703 CA HIS A 47 -3.382 -6.266 -5.490 1.00 0.00 C ATOM 704 C HIS A 47 -2.815 -7.550 -4.881 1.00 0.00 C ATOM 705 O HIS A 47 -3.482 -8.212 -4.088 1.00 0.00 O ATOM 706 CB HIS A 47 -4.134 -6.511 -6.799 1.00 0.00 C ATOM 707 CG HIS A 47 -4.685 -5.258 -7.435 1.00 0.00 C ATOM 708 ND1 HIS A 47 -4.853 -5.122 -8.802 1.00 0.00 N ATOM 709 CD2 HIS A 47 -5.106 -4.086 -6.878 1.00 0.00 C ATOM 710 CE1 HIS A 47 -5.352 -3.919 -9.045 1.00 0.00 C ATOM 711 NE2 HIS A 47 -5.507 -3.278 -7.851 1.00 0.00 N ATOM 0 H HIS A 47 -2.047 -5.148 -6.656 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.114 -5.865 -4.789 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.463 -7.000 -7.505 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.956 -7.202 -6.610 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -4.630 -5.828 -9.503 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.112 -3.855 -5.823 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.594 -3.517 -10.018 1.00 0.00 H new ATOM 719 N GLY A 48 -1.590 -7.863 -5.277 1.00 0.00 N ATOM 720 CA GLY A 48 -0.926 -9.057 -4.781 1.00 0.00 C ATOM 721 C GLY A 48 -0.445 -8.859 -3.342 1.00 0.00 C ATOM 722 O GLY A 48 -1.174 -8.323 -2.508 1.00 0.00 O ATOM 0 H GLY A 48 -1.040 -7.311 -5.935 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.611 -9.904 -4.826 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.078 -9.299 -5.422 1.00 0.00 H new ATOM 726 N LYS A 49 0.779 -9.302 -3.094 1.00 0.00 N ATOM 727 CA LYS A 49 1.365 -9.180 -1.771 1.00 0.00 C ATOM 728 C LYS A 49 2.010 -7.799 -1.628 1.00 0.00 C ATOM 729 O LYS A 49 3.098 -7.674 -1.069 1.00 0.00 O ATOM 730 CB LYS A 49 2.327 -10.339 -1.502 1.00 0.00 C ATOM 731 CG LYS A 49 3.600 -10.200 -2.340 1.00 0.00 C ATOM 732 CD LYS A 49 4.245 -11.566 -2.588 1.00 0.00 C ATOM 733 CE LYS A 49 4.941 -11.604 -3.949 1.00 0.00 C ATOM 734 NZ LYS A 49 4.003 -12.063 -4.998 1.00 0.00 N ATOM 0 H LYS A 49 1.381 -9.746 -3.788 1.00 0.00 H new ATOM 0 HA LYS A 49 0.593 -9.252 -1.005 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.585 -10.364 -0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.837 -11.285 -1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.363 -9.728 -3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.307 -9.547 -1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.967 -11.780 -1.800 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.484 -12.345 -2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.318 -10.612 -4.199 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.802 -12.271 -3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.492 -12.083 -5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.663 -13.018 -4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.195 -11.411 -5.050 1.00 0.00 H new ATOM 747 N GLY A 50 1.312 -6.799 -2.145 1.00 0.00 N ATOM 748 CA GLY A 50 1.803 -5.433 -2.082 1.00 0.00 C ATOM 749 C GLY A 50 0.935 -4.580 -1.155 1.00 0.00 C ATOM 750 O GLY A 50 1.441 -3.965 -0.217 1.00 0.00 O ATOM 0 H GLY A 50 0.410 -6.907 -2.609 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.833 -5.429 -1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.809 -4.999 -3.082 1.00 0.00 H new ATOM 754 N CYS A 51 -0.357 -4.571 -1.448 1.00 0.00 N ATOM 755 CA CYS A 51 -1.300 -3.804 -0.652 1.00 0.00 C ATOM 756 C CYS A 51 -2.372 -4.759 -0.125 1.00 0.00 C ATOM 757 O CYS A 51 -2.260 -5.272 0.987 1.00 0.00 O ATOM 758 CB CYS A 51 -1.907 -2.649 -1.451 1.00 0.00 C ATOM 759 SG CYS A 51 -0.699 -1.411 -2.050 1.00 0.00 S ATOM 0 H CYS A 51 -0.773 -5.083 -2.226 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.780 -3.344 0.188 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.440 -3.060 -2.308 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.645 -2.144 -0.828 1.00 0.00 H new ATOM 764 N LYS A 52 -3.388 -4.970 -0.950 1.00 0.00 N ATOM 765 CA LYS A 52 -4.480 -5.854 -0.581 1.00 0.00 C ATOM 766 C LYS A 52 -3.911 -7.111 0.082 1.00 0.00 C ATOM 767 O LYS A 52 -4.379 -7.524 1.142 1.00 0.00 O ATOM 768 CB LYS A 52 -5.366 -6.147 -1.793 1.00 0.00 C ATOM 769 CG LYS A 52 -6.311 -4.977 -2.077 1.00 0.00 C ATOM 770 CD LYS A 52 -7.696 -5.478 -2.489 1.00 0.00 C ATOM 771 CE LYS A 52 -7.780 -5.674 -4.004 1.00 0.00 C ATOM 772 NZ LYS A 52 -8.165 -7.066 -4.326 1.00 0.00 N ATOM 0 H LYS A 52 -3.477 -4.544 -1.872 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.129 -5.372 0.150 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.742 -6.336 -2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.946 -7.052 -1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.396 -4.350 -1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.896 -4.353 -2.869 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.911 -6.420 -1.984 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.455 -4.764 -2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.509 -4.982 -4.426 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.818 -5.442 -4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.217 -7.182 -5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.455 -7.721 -3.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.093 -7.275 -3.907 1.00 0.00 H new ATOM 785 N GLY A 53 -2.910 -7.683 -0.570 1.00 0.00 N ATOM 786 CA GLY A 53 -2.273 -8.884 -0.057 1.00 0.00 C ATOM 787 C GLY A 53 -2.255 -8.885 1.473 1.00 0.00 C ATOM 788 O GLY A 53 -2.939 -9.688 2.105 1.00 0.00 O ATOM 0 H GLY A 53 -2.524 -7.337 -1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.804 -9.764 -0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.253 -8.949 -0.436 1.00 0.00 H new ATOM 792 N CYS A 54 -1.465 -7.975 2.024 1.00 0.00 N ATOM 793 CA CYS A 54 -1.349 -7.860 3.468 1.00 0.00 C ATOM 794 C CYS A 54 -2.753 -7.689 4.050 1.00 0.00 C ATOM 795 O CYS A 54 -3.095 -8.318 5.051 1.00 0.00 O ATOM 796 CB CYS A 54 -0.419 -6.714 3.871 1.00 0.00 C ATOM 797 SG CYS A 54 0.020 -6.858 5.642 1.00 0.00 S ATOM 0 H CYS A 54 -0.899 -7.310 1.496 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.897 -8.766 3.873 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.484 -6.736 3.261 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.906 -5.757 3.685 1.00 0.00 H new ATOM 802 N HIS A 55 -3.529 -6.834 3.400 1.00 0.00 N ATOM 803 CA HIS A 55 -4.888 -6.573 3.841 1.00 0.00 C ATOM 804 C HIS A 55 -5.652 -7.892 3.960 1.00 0.00 C ATOM 805 O HIS A 55 -5.937 -8.352 5.065 1.00 0.00 O ATOM 806 CB HIS A 55 -5.577 -5.570 2.912 1.00 0.00 C ATOM 807 CG HIS A 55 -5.021 -4.169 3.000 1.00 0.00 C ATOM 808 ND1 HIS A 55 -5.512 -3.119 2.243 1.00 0.00 N ATOM 809 CD2 HIS A 55 -4.014 -3.656 3.764 1.00 0.00 C ATOM 810 CE1 HIS A 55 -4.822 -2.029 2.545 1.00 0.00 C ATOM 811 NE2 HIS A 55 -3.895 -2.363 3.487 1.00 0.00 N ATOM 0 H HIS A 55 -3.242 -6.313 2.571 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.871 -6.113 4.829 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.487 -5.922 1.884 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.641 -5.543 3.148 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -6.275 -3.175 1.568 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.415 -4.208 4.474 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -4.968 -1.047 2.119 1.00 0.00 H new ATOM 819 N GLU A 56 -5.963 -8.465 2.806 1.00 0.00 N ATOM 820 CA GLU A 56 -6.689 -9.724 2.767 1.00 0.00 C ATOM 821 C GLU A 56 -5.943 -10.792 3.570 1.00 0.00 C ATOM 822 O GLU A 56 -6.542 -11.771 4.014 1.00 0.00 O ATOM 823 CB GLU A 56 -6.917 -10.181 1.325 1.00 0.00 C ATOM 824 CG GLU A 56 -5.756 -9.754 0.425 1.00 0.00 C ATOM 825 CD GLU A 56 -5.541 -10.761 -0.707 1.00 0.00 C ATOM 826 OE1 GLU A 56 -5.360 -11.959 -0.444 1.00 0.00 O ATOM 827 OE2 GLU A 56 -5.569 -10.260 -1.895 1.00 0.00 O ATOM 0 H GLU A 56 -5.726 -8.081 1.891 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.667 -9.571 3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.025 -11.265 1.296 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.848 -9.758 0.949 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.959 -8.768 0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.845 -9.667 1.017 1.00 0.00 H new ATOM 835 N GLU A 57 -4.647 -10.568 3.731 1.00 0.00 N ATOM 836 CA GLU A 57 -3.813 -11.499 4.472 1.00 0.00 C ATOM 837 C GLU A 57 -4.178 -11.471 5.958 1.00 0.00 C ATOM 838 O GLU A 57 -4.484 -12.508 6.545 1.00 0.00 O ATOM 839 CB GLU A 57 -2.329 -11.189 4.266 1.00 0.00 C ATOM 840 CG GLU A 57 -1.455 -12.079 5.152 1.00 0.00 C ATOM 841 CD GLU A 57 -0.004 -11.594 5.154 1.00 0.00 C ATOM 842 OE1 GLU A 57 0.661 -11.625 4.108 1.00 0.00 O ATOM 843 OE2 GLU A 57 0.429 -11.174 6.294 1.00 0.00 O ATOM 0 H GLU A 57 -4.154 -9.755 3.361 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.997 -12.504 4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.064 -11.340 3.219 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.137 -10.141 4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.844 -12.078 6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.498 -13.108 4.795 1.00 0.00 H new ATOM 851 N MET A 58 -4.133 -10.274 6.523 1.00 0.00 N ATOM 852 CA MET A 58 -4.454 -10.097 7.929 1.00 0.00 C ATOM 853 C MET A 58 -5.962 -9.936 8.131 1.00 0.00 C ATOM 854 O MET A 58 -6.443 -9.922 9.263 1.00 0.00 O ATOM 855 CB MET A 58 -3.731 -8.861 8.467 1.00 0.00 C ATOM 856 CG MET A 58 -2.213 -9.035 8.386 1.00 0.00 C ATOM 857 SD MET A 58 -1.551 -9.381 10.007 1.00 0.00 S ATOM 858 CE MET A 58 -1.762 -7.784 10.776 1.00 0.00 C ATOM 0 H MET A 58 -3.879 -9.417 6.032 1.00 0.00 H new ATOM 0 HA MET A 58 -4.127 -10.984 8.471 1.00 0.00 H new ATOM 0 HB2 MET A 58 -4.031 -7.982 7.896 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.026 -8.684 9.501 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.968 -9.848 7.703 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.756 -8.131 7.983 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.028 -7.664 11.573 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.621 -7.000 10.032 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.766 -7.711 11.194 1.00 0.00 H new ATOM 868 N LYS A 59 -6.667 -9.817 7.015 1.00 0.00 N ATOM 869 CA LYS A 59 -8.110 -9.657 7.054 1.00 0.00 C ATOM 870 C LYS A 59 -8.449 -8.246 7.540 1.00 0.00 C ATOM 871 O LYS A 59 -9.591 -7.968 7.903 1.00 0.00 O ATOM 872 CB LYS A 59 -8.750 -10.766 7.892 1.00 0.00 C ATOM 873 CG LYS A 59 -9.451 -11.792 7.000 1.00 0.00 C ATOM 874 CD LYS A 59 -10.648 -11.165 6.280 1.00 0.00 C ATOM 875 CE LYS A 59 -11.893 -12.044 6.419 1.00 0.00 C ATOM 876 NZ LYS A 59 -12.430 -11.966 7.796 1.00 0.00 N ATOM 0 H LYS A 59 -6.265 -9.828 6.078 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.532 -9.761 6.054 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.986 -11.261 8.491 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.468 -10.332 8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.746 -12.184 6.267 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.786 -12.636 7.604 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.848 -10.176 6.693 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.411 -11.028 5.225 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.653 -11.723 5.707 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.645 -13.077 6.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.312 -12.514 7.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.734 -12.357 8.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.622 -10.973 8.038 1.00 0.00 H new ATOM 889 N LYS A 60 -7.436 -7.393 7.532 1.00 0.00 N ATOM 890 CA LYS A 60 -7.612 -6.018 7.967 1.00 0.00 C ATOM 891 C LYS A 60 -7.246 -5.073 6.820 1.00 0.00 C ATOM 892 O LYS A 60 -6.342 -5.362 6.038 1.00 0.00 O ATOM 893 CB LYS A 60 -6.825 -5.758 9.253 1.00 0.00 C ATOM 894 CG LYS A 60 -7.234 -6.737 10.355 1.00 0.00 C ATOM 895 CD LYS A 60 -7.675 -5.991 11.615 1.00 0.00 C ATOM 896 CE LYS A 60 -9.187 -6.106 11.820 1.00 0.00 C ATOM 897 NZ LYS A 60 -9.865 -4.863 11.391 1.00 0.00 N ATOM 0 H LYS A 60 -6.490 -7.627 7.231 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.656 -5.828 8.216 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.757 -5.853 9.055 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.997 -4.735 9.588 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.047 -7.371 10.000 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.397 -7.394 10.591 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.155 -6.397 12.483 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.394 -4.941 11.537 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.573 -6.952 11.252 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.404 -6.301 12.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.890 -4.959 11.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.509 -4.062 11.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.673 -4.693 10.383 1.00 0.00 H new ATOM 910 N GLY A 61 -7.968 -3.964 6.757 1.00 0.00 N ATOM 911 CA GLY A 61 -7.730 -2.975 5.719 1.00 0.00 C ATOM 912 C GLY A 61 -8.715 -3.149 4.560 1.00 0.00 C ATOM 913 O GLY A 61 -9.421 -4.149 4.449 1.00 0.00 O ATOM 0 H GLY A 61 -8.718 -3.728 7.407 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.828 -1.973 6.137 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.709 -3.068 5.350 1.00 0.00 H new ATOM 917 N PRO A 62 -8.745 -2.139 3.689 1.00 0.00 N ATOM 918 CA PRO A 62 -9.598 -2.094 2.521 1.00 0.00 C ATOM 919 C PRO A 62 -9.143 -3.142 1.515 1.00 0.00 C ATOM 920 O PRO A 62 -7.981 -3.116 1.115 1.00 0.00 O ATOM 921 CB PRO A 62 -9.421 -0.684 1.960 1.00 0.00 C ATOM 922 CG PRO A 62 -8.089 -0.245 2.444 1.00 0.00 C ATOM 923 CD PRO A 62 -7.928 -0.949 3.789 1.00 0.00 C ATOM 0 HA PRO A 62 -10.642 -2.305 2.751 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.465 -0.684 0.871 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.208 -0.017 2.311 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.299 -0.529 1.749 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.042 0.838 2.554 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.885 -1.201 3.980 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.257 -0.312 4.610 1.00 0.00 H new ATOM 931 N THR A 63 -10.048 -4.031 1.134 1.00 0.00 N ATOM 932 CA THR A 63 -9.716 -5.075 0.179 1.00 0.00 C ATOM 933 C THR A 63 -10.659 -5.018 -1.024 1.00 0.00 C ATOM 934 O THR A 63 -10.456 -5.723 -2.011 1.00 0.00 O ATOM 935 CB THR A 63 -9.750 -6.417 0.915 1.00 0.00 C ATOM 936 OG1 THR A 63 -11.112 -6.563 1.306 1.00 0.00 O ATOM 937 CG2 THR A 63 -8.984 -6.378 2.239 1.00 0.00 C ATOM 0 H THR A 63 -11.011 -4.050 1.469 1.00 0.00 H new ATOM 0 HA THR A 63 -8.714 -4.935 -0.227 1.00 0.00 H new ATOM 0 HB THR A 63 -9.329 -7.193 0.275 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.225 -7.408 1.789 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.040 -7.354 2.720 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.941 -6.126 2.048 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.425 -5.626 2.893 1.00 0.00 H new ATOM 945 N LYS A 64 -11.672 -4.172 -0.902 1.00 0.00 N ATOM 946 CA LYS A 64 -12.647 -4.013 -1.967 1.00 0.00 C ATOM 947 C LYS A 64 -12.266 -2.805 -2.825 1.00 0.00 C ATOM 948 O LYS A 64 -11.560 -1.909 -2.365 1.00 0.00 O ATOM 949 CB LYS A 64 -14.062 -3.936 -1.390 1.00 0.00 C ATOM 950 CG LYS A 64 -14.337 -5.113 -0.452 1.00 0.00 C ATOM 951 CD LYS A 64 -15.440 -6.014 -1.011 1.00 0.00 C ATOM 952 CE LYS A 64 -15.174 -7.482 -0.672 1.00 0.00 C ATOM 953 NZ LYS A 64 -16.383 -8.299 -0.921 1.00 0.00 N ATOM 0 H LYS A 64 -11.838 -3.590 -0.081 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.642 -4.884 -2.622 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.187 -2.998 -0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.790 -3.935 -2.201 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.424 -5.693 -0.313 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.630 -4.740 0.529 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.404 -5.712 -0.602 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.501 -5.892 -2.092 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.345 -7.856 -1.273 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.876 -7.572 0.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.185 -9.293 -0.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.164 -7.952 -0.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.650 -8.227 -1.924 1.00 0.00 H new ATOM 966 N CYS A 65 -12.751 -2.819 -4.058 1.00 0.00 N ATOM 967 CA CYS A 65 -12.470 -1.736 -4.985 1.00 0.00 C ATOM 968 C CYS A 65 -13.223 -0.491 -4.512 1.00 0.00 C ATOM 969 O CYS A 65 -14.203 -0.597 -3.776 1.00 0.00 O ATOM 970 CB CYS A 65 -12.836 -2.113 -6.423 1.00 0.00 C ATOM 971 SG CYS A 65 -12.786 -3.906 -6.783 1.00 0.00 S ATOM 0 H CYS A 65 -13.337 -3.563 -4.437 1.00 0.00 H new ATOM 0 HA CYS A 65 -11.400 -1.530 -4.994 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.838 -1.742 -6.637 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -12.154 -1.601 -7.102 1.00 0.00 H new ATOM 976 N GLY A 66 -12.737 0.659 -4.954 1.00 0.00 N ATOM 977 CA GLY A 66 -13.351 1.923 -4.584 1.00 0.00 C ATOM 978 C GLY A 66 -12.770 2.452 -3.272 1.00 0.00 C ATOM 979 O GLY A 66 -12.626 3.661 -3.096 1.00 0.00 O ATOM 0 H GLY A 66 -11.925 0.742 -5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.193 2.654 -5.377 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.428 1.792 -4.482 1.00 0.00 H new ATOM 983 N GLU A 67 -12.452 1.522 -2.384 1.00 0.00 N ATOM 984 CA GLU A 67 -11.890 1.880 -1.093 1.00 0.00 C ATOM 985 C GLU A 67 -10.445 2.355 -1.257 1.00 0.00 C ATOM 986 O GLU A 67 -9.905 3.024 -0.378 1.00 0.00 O ATOM 987 CB GLU A 67 -11.973 0.706 -0.115 1.00 0.00 C ATOM 988 CG GLU A 67 -12.504 1.164 1.246 1.00 0.00 C ATOM 989 CD GLU A 67 -12.545 -0.001 2.238 1.00 0.00 C ATOM 990 OE1 GLU A 67 -12.530 -1.169 1.823 1.00 0.00 O ATOM 991 OE2 GLU A 67 -12.594 0.343 3.480 1.00 0.00 O ATOM 0 H GLU A 67 -12.573 0.520 -2.533 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.477 2.699 -0.677 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.625 -0.067 -0.523 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.986 0.259 0.007 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.870 1.959 1.639 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.504 1.582 1.129 1.00 0.00 H new ATOM 999 N CYS A 68 -9.861 1.992 -2.389 1.00 0.00 N ATOM 1000 CA CYS A 68 -8.489 2.373 -2.680 1.00 0.00 C ATOM 1001 C CYS A 68 -8.502 3.363 -3.847 1.00 0.00 C ATOM 1002 O CYS A 68 -7.876 4.419 -3.777 1.00 0.00 O ATOM 1003 CB CYS A 68 -7.613 1.154 -2.975 1.00 0.00 C ATOM 1004 SG CYS A 68 -6.492 0.832 -1.566 1.00 0.00 S ATOM 0 H CYS A 68 -10.313 1.438 -3.116 1.00 0.00 H new ATOM 0 HA CYS A 68 -8.049 2.851 -1.805 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.240 0.281 -3.158 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.032 1.325 -3.881 1.00 0.00 H new ATOM 1009 N HIS A 69 -9.223 2.985 -4.892 1.00 0.00 N ATOM 1010 CA HIS A 69 -9.326 3.826 -6.073 1.00 0.00 C ATOM 1011 C HIS A 69 -10.476 4.820 -5.896 1.00 0.00 C ATOM 1012 O HIS A 69 -11.644 4.450 -6.012 1.00 0.00 O ATOM 1013 CB HIS A 69 -9.467 2.975 -7.336 1.00 0.00 C ATOM 1014 CG HIS A 69 -8.323 2.015 -7.560 1.00 0.00 C ATOM 1015 ND1 HIS A 69 -7.063 2.429 -7.954 1.00 0.00 N ATOM 1016 CD2 HIS A 69 -8.263 0.658 -7.440 1.00 0.00 C ATOM 1017 CE1 HIS A 69 -6.287 1.361 -8.065 1.00 0.00 C ATOM 1018 NE2 HIS A 69 -7.033 0.264 -7.746 1.00 0.00 N ATOM 0 H HIS A 69 -9.741 2.108 -4.946 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.409 4.402 -6.195 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.397 2.409 -7.279 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.548 3.635 -8.199 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -6.780 3.393 -8.129 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.078 0.013 -7.146 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.247 1.359 -8.357 1.00 0.00 H new ATOM 1026 N LYS A 70 -10.106 6.061 -5.619 1.00 0.00 N ATOM 1027 CA LYS A 70 -11.092 7.111 -5.425 1.00 0.00 C ATOM 1028 C LYS A 70 -10.929 8.167 -6.520 1.00 0.00 C ATOM 1029 O LYS A 70 -9.890 8.820 -6.607 1.00 0.00 O ATOM 1030 CB LYS A 70 -11.001 7.676 -4.006 1.00 0.00 C ATOM 1031 CG LYS A 70 -11.441 6.638 -2.972 1.00 0.00 C ATOM 1032 CD LYS A 70 -12.062 7.312 -1.748 1.00 0.00 C ATOM 1033 CE LYS A 70 -11.395 6.829 -0.458 1.00 0.00 C ATOM 1034 NZ LYS A 70 -12.399 6.674 0.618 1.00 0.00 N ATOM 0 H LYS A 70 -9.137 6.364 -5.524 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.101 6.708 -5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.977 7.988 -3.800 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.627 8.564 -3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.163 5.956 -3.421 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.584 6.039 -2.666 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.958 8.394 -1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.130 7.096 -1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.893 5.878 -0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.629 7.540 -0.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.930 6.346 1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.859 7.589 0.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.115 5.978 0.327 1.00 0.00 H new ATOM 1047 N LYS A 71 -11.970 8.301 -7.328 1.00 0.00 N ATOM 1048 CA LYS A 71 -11.954 9.267 -8.414 1.00 0.00 C ATOM 1049 C LYS A 71 -11.384 10.592 -7.904 1.00 0.00 C ATOM 1050 O LYS A 71 -10.382 11.081 -8.423 1.00 0.00 O ATOM 1051 CB LYS A 71 -13.346 9.395 -9.036 1.00 0.00 C ATOM 1052 CG LYS A 71 -13.743 8.108 -9.762 1.00 0.00 C ATOM 1053 CD LYS A 71 -15.014 8.314 -10.588 1.00 0.00 C ATOM 1054 CE LYS A 71 -15.399 7.032 -11.330 1.00 0.00 C ATOM 1055 NZ LYS A 71 -15.899 6.014 -10.380 1.00 0.00 N ATOM 0 H LYS A 71 -12.830 7.757 -7.253 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.300 8.927 -9.217 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -14.076 9.618 -8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.360 10.231 -9.736 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.930 7.788 -10.413 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.902 7.311 -9.036 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.831 8.620 -9.935 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.860 9.121 -11.304 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -16.165 7.251 -12.074 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.535 6.643 -11.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.297 5.212 -10.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.115 5.681 -9.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.637 6.433 -9.779 1.00 0.00 H new TER 1068 LYS A 71 HETATM 1069 CHA HEM A 130 8.427 4.971 0.366 1.00 0.00 C HETATM 1070 CHB HEM A 130 10.837 5.124 4.596 1.00 0.00 C HETATM 1071 CHC HEM A 130 7.821 1.778 6.447 1.00 0.00 C HETATM 1072 CHD HEM A 130 5.719 1.281 2.033 1.00 0.00 C HETATM 1073 C1A HEM A 130 9.334 5.303 1.367 1.00 0.00 C HETATM 1074 C2A HEM A 130 10.379 6.289 1.221 1.00 0.00 C HETATM 1075 C3A HEM A 130 11.049 6.334 2.392 1.00 0.00 C HETATM 1076 C4A HEM A 130 10.425 5.376 3.274 1.00 0.00 C HETATM 1077 CMA HEM A 130 12.222 7.198 2.752 1.00 0.00 C HETATM 1078 CAA HEM A 130 10.635 7.091 -0.022 1.00 0.00 C HETATM 1079 CBA HEM A 130 9.897 8.427 -0.062 1.00 0.00 C HETATM 1080 CGA HEM A 130 10.872 9.593 0.008 1.00 0.00 C HETATM 1081 O1A HEM A 130 10.574 10.536 0.773 1.00 0.00 O HETATM 1082 O2A HEM A 130 11.896 9.521 -0.704 1.00 0.00 O HETATM 1083 C1B HEM A 130 10.193 4.255 5.470 1.00 0.00 C HETATM 1084 C2B HEM A 130 10.529 4.112 6.867 1.00 0.00 C HETATM 1085 C3B HEM A 130 9.694 3.185 7.383 1.00 0.00 C HETATM 1086 C4B HEM A 130 8.833 2.745 6.311 1.00 0.00 C HETATM 1087 CMB HEM A 130 11.613 4.874 7.572 1.00 0.00 C HETATM 1088 CAB HEM A 130 9.636 2.678 8.795 1.00 0.00 C HETATM 1089 CBB HEM A 130 9.773 3.769 9.853 1.00 0.00 C HETATM 1090 C1C HEM A 130 7.099 1.198 5.320 1.00 0.00 C HETATM 1091 C2C HEM A 130 6.301 -0.005 5.345 1.00 0.00 C HETATM 1092 C3C HEM A 130 5.704 -0.109 4.139 1.00 0.00 C HETATM 1093 C4C HEM A 130 6.127 1.028 3.355 1.00 0.00 C HETATM 1094 CMC HEM A 130 6.187 -0.936 6.516 1.00 0.00 C HETATM 1095 CAC HEM A 130 4.772 -1.184 3.659 1.00 0.00 C HETATM 1096 CBC HEM A 130 3.470 -1.275 4.450 1.00 0.00 C HETATM 1097 C1D HEM A 130 6.266 2.264 1.214 1.00 0.00 C HETATM 1098 C2D HEM A 130 5.857 2.504 -0.150 1.00 0.00 C HETATM 1099 C3D HEM A 130 6.606 3.526 -0.615 1.00 0.00 C HETATM 1100 C4D HEM A 130 7.486 3.929 0.456 1.00 0.00 C HETATM 1101 CMD HEM A 130 4.792 1.734 -0.875 1.00 0.00 C HETATM 1102 CAD HEM A 130 6.565 4.156 -1.977 1.00 0.00 C HETATM 1103 CBD HEM A 130 7.196 3.303 -3.074 1.00 0.00 C HETATM 1104 CGD HEM A 130 6.145 2.468 -3.791 1.00 0.00 C HETATM 1105 O1D HEM A 130 6.477 1.315 -4.141 1.00 0.00 O HETATM 1106 O2D HEM A 130 5.028 2.999 -3.976 1.00 0.00 O HETATM 1107 NA HEM A 130 9.372 4.748 2.634 1.00 0.00 N HETATM 1108 NB HEM A 130 9.148 3.409 5.139 1.00 0.00 N HETATM 1109 NC HEM A 130 6.985 1.826 4.092 1.00 0.00 N HETATM 1110 ND HEM A 130 7.268 3.147 1.577 1.00 0.00 N HETATM 1111 FE HEM A 130 8.147 3.257 3.471 1.00 0.00 FE HETATM 0 HMA1 HEM A 130 12.203 7.410 3.821 1.00 0.00 H new HETATM 0 HMA2 HEM A 130 12.169 8.134 2.196 1.00 0.00 H new HETATM 0 HMA3 HEM A 130 13.147 6.679 2.501 1.00 0.00 H new HETATM 0 HMB1 HEM A 130 12.409 5.112 6.866 1.00 0.00 H new HETATM 0 HMB2 HEM A 130 12.017 4.267 8.382 1.00 0.00 H new HETATM 0 HMB3 HEM A 130 11.202 5.797 7.981 1.00 0.00 H new HETATM 0 HMC1 HEM A 130 5.206 -1.411 6.509 1.00 0.00 H new HETATM 0 HMC2 HEM A 130 6.311 -0.374 7.441 1.00 0.00 H new HETATM 0 HMC3 HEM A 130 6.961 -1.701 6.450 1.00 0.00 H new HETATM 0 HMD1 HEM A 130 4.313 2.380 -1.611 1.00 0.00 H new HETATM 0 HMD2 HEM A 130 4.047 1.383 -0.161 1.00 0.00 H new HETATM 0 HMD3 HEM A 130 5.241 0.879 -1.380 1.00 0.00 H new HETATM 0 HBB1 HEM A 130 9.744 3.509 10.911 1.00 0.00 H new HETATM 0 HBB2 HEM A 130 9.900 4.809 9.551 1.00 0.00 H new HETATM 0 HBC1 HEM A 130 2.722 -2.022 4.184 1.00 0.00 H new HETATM 0 HBC2 HEM A 130 3.288 -0.593 5.280 1.00 0.00 H new HETATM 0 HBA1 HEM A 130 9.196 8.484 0.771 1.00 0.00 H new HETATM 0 HBA2 HEM A 130 9.310 8.494 -0.978 1.00 0.00 H new HETATM 0 HAA1 HEM A 130 10.343 6.500 -0.890 1.00 0.00 H new HETATM 0 HAA2 HEM A 130 11.706 7.276 -0.108 1.00 0.00 H new HETATM 0 HBD1 HEM A 130 7.952 2.648 -2.640 1.00 0.00 H new HETATM 0 HBD2 HEM A 130 7.705 3.946 -3.791 1.00 0.00 H new HETATM 0 HAD1 HEM A 130 7.078 5.117 -1.937 1.00 0.00 H new HETATM 0 HAD2 HEM A 130 5.527 4.360 -2.241 1.00 0.00 H new HETATM 0 HHA HEM A 130 8.446 5.553 -0.543 1.00 0.00 H new HETATM 0 HHB HEM A 130 11.714 5.641 4.957 1.00 0.00 H new HETATM 0 HHC HEM A 130 7.564 1.446 7.442 1.00 0.00 H new HETATM 0 HHD HEM A 130 4.927 0.670 1.626 1.00 0.00 H new HETATM 0 HAB HEM A 130 9.507 1.624 9.042 1.00 0.00 H new HETATM 0 HAC HEM A 130 5.005 -1.841 2.821 1.00 0.00 H new HETATM 1112 CHA HEM A 154 -5.216 -0.013 6.445 1.00 0.00 C HETATM 1113 CHB HEM A 154 -3.818 1.263 1.958 1.00 0.00 C HETATM 1114 CHC HEM A 154 -0.200 -1.992 2.159 1.00 0.00 C HETATM 1115 CHD HEM A 154 -1.675 -3.354 6.599 1.00 0.00 C HETATM 1116 C1A HEM A 154 -5.141 0.610 5.204 1.00 0.00 C HETATM 1117 C2A HEM A 154 -6.047 1.643 4.759 1.00 0.00 C HETATM 1118 C3A HEM A 154 -5.662 1.999 3.515 1.00 0.00 C HETATM 1119 C4A HEM A 154 -4.514 1.191 3.178 1.00 0.00 C HETATM 1120 CMA HEM A 154 -6.278 3.032 2.617 1.00 0.00 C HETATM 1121 CAA HEM A 154 -7.190 2.189 5.564 1.00 0.00 C HETATM 1122 CBA HEM A 154 -6.818 2.566 6.994 1.00 0.00 C HETATM 1123 CGA HEM A 154 -7.397 3.922 7.372 1.00 0.00 C HETATM 1124 O1A HEM A 154 -8.469 3.923 8.014 1.00 0.00 O HETATM 1125 O2A HEM A 154 -6.756 4.933 7.011 1.00 0.00 O HETATM 1126 C1B HEM A 154 -2.707 0.490 1.636 1.00 0.00 C HETATM 1127 C2B HEM A 154 -1.978 0.594 0.394 1.00 0.00 C HETATM 1128 C3B HEM A 154 -0.975 -0.308 0.447 1.00 0.00 C HETATM 1129 C4B HEM A 154 -1.072 -0.978 1.722 1.00 0.00 C HETATM 1130 CMB HEM A 154 -2.311 1.542 -0.721 1.00 0.00 C HETATM 1131 CAB HEM A 154 0.067 -0.593 -0.596 1.00 0.00 C HETATM 1132 CBB HEM A 154 0.830 0.642 -1.066 1.00 0.00 C HETATM 1133 C1C HEM A 154 -0.359 -2.710 3.348 1.00 0.00 C HETATM 1134 C2C HEM A 154 0.512 -3.781 3.772 1.00 0.00 C HETATM 1135 C3C HEM A 154 0.126 -4.138 5.015 1.00 0.00 C HETATM 1136 C4C HEM A 154 -0.988 -3.292 5.373 1.00 0.00 C HETATM 1137 CMC HEM A 154 1.627 -4.358 2.949 1.00 0.00 C HETATM 1138 CAC HEM A 154 0.712 -5.204 5.894 1.00 0.00 C HETATM 1139 CBC HEM A 154 2.215 -5.397 5.718 1.00 0.00 C HETATM 1140 C1D HEM A 154 -2.759 -2.550 6.938 1.00 0.00 C HETATM 1141 C2D HEM A 154 -3.458 -2.619 8.199 1.00 0.00 C HETATM 1142 C3D HEM A 154 -4.440 -1.694 8.160 1.00 0.00 C HETATM 1143 C4D HEM A 154 -4.359 -1.043 6.873 1.00 0.00 C HETATM 1144 CMD HEM A 154 -3.120 -3.561 9.318 1.00 0.00 C HETATM 1145 CAD HEM A 154 -5.447 -1.370 9.224 1.00 0.00 C HETATM 1146 CBD HEM A 154 -5.052 -0.195 10.115 1.00 0.00 C HETATM 1147 CGD HEM A 154 -5.526 -0.409 11.545 1.00 0.00 C HETATM 1148 O1D HEM A 154 -6.151 0.532 12.083 1.00 0.00 O HETATM 1149 O2D HEM A 154 -5.256 -1.508 12.075 1.00 0.00 O HETATM 1150 NA HEM A 154 -4.202 0.340 4.224 1.00 0.00 N HETATM 1151 NB HEM A 154 -2.141 -0.479 2.446 1.00 0.00 N HETATM 1152 NC HEM A 154 -1.278 -2.417 4.340 1.00 0.00 N HETATM 1153 ND HEM A 154 -3.321 -1.577 6.130 1.00 0.00 N HETATM 1154 FE HEM A 154 -2.658 -1.099 4.391 1.00 0.00 FE HETATM 0 HMA1 HEM A 154 -7.346 3.105 2.825 1.00 0.00 H new HETATM 0 HMA2 HEM A 154 -6.130 2.744 1.576 1.00 0.00 H new HETATM 0 HMA3 HEM A 154 -5.807 3.998 2.797 1.00 0.00 H new HETATM 0 HMB1 HEM A 154 -1.399 1.812 -1.253 1.00 0.00 H new HETATM 0 HMB2 HEM A 154 -2.771 2.441 -0.309 1.00 0.00 H new HETATM 0 HMB3 HEM A 154 -3.006 1.063 -1.411 1.00 0.00 H new HETATM 0 HMC1 HEM A 154 1.379 -4.275 1.891 1.00 0.00 H new HETATM 0 HMC2 HEM A 154 1.765 -5.408 3.208 1.00 0.00 H new HETATM 0 HMC3 HEM A 154 2.548 -3.811 3.149 1.00 0.00 H new HETATM 0 HMD1 HEM A 154 -3.382 -3.102 10.271 1.00 0.00 H new HETATM 0 HMD2 HEM A 154 -2.052 -3.778 9.301 1.00 0.00 H new HETATM 0 HMD3 HEM A 154 -3.680 -4.488 9.195 1.00 0.00 H new HETATM 0 HBB1 HEM A 154 1.609 0.546 -1.822 1.00 0.00 H new HETATM 0 HBB2 HEM A 154 0.596 1.620 -0.646 1.00 0.00 H new HETATM 0 HBC1 HEM A 154 2.741 -6.147 6.309 1.00 0.00 H new HETATM 0 HBC2 HEM A 154 2.763 -4.785 5.001 1.00 0.00 H new HETATM 0 HBA1 HEM A 154 -5.733 2.589 7.097 1.00 0.00 H new HETATM 0 HBA2 HEM A 154 -7.187 1.805 7.682 1.00 0.00 H new HETATM 0 HAA1 HEM A 154 -7.989 1.448 5.591 1.00 0.00 H new HETATM 0 HAA2 HEM A 154 -7.589 3.069 5.059 1.00 0.00 H new HETATM 0 HBD1 HEM A 154 -5.482 0.726 9.720 1.00 0.00 H new HETATM 0 HBD2 HEM A 154 -3.969 -0.073 10.102 1.00 0.00 H new HETATM 0 HAD1 HEM A 154 -5.598 -2.251 9.848 1.00 0.00 H new HETATM 0 HAD2 HEM A 154 -6.403 -1.148 8.750 1.00 0.00 H new HETATM 0 HHA HEM A 154 -5.985 0.317 7.127 1.00 0.00 H new HETATM 0 HHB HEM A 154 -4.171 1.968 1.219 1.00 0.00 H new HETATM 0 HHC HEM A 154 0.648 -2.231 1.535 1.00 0.00 H new HETATM 0 HHD HEM A 154 -1.338 -4.076 7.328 1.00 0.00 H new HETATM 0 HAB HEM A 154 0.261 -1.593 -0.983 1.00 0.00 H new HETATM 0 HAC HEM A 154 0.117 -5.788 6.596 1.00 0.00 H new HETATM 1155 CHA HEM A 168 -3.837 -0.412 -9.894 1.00 0.00 C HETATM 1156 CHB HEM A 168 -8.254 -2.388 -10.450 1.00 0.00 C HETATM 1157 CHC HEM A 168 -8.751 -2.762 -5.619 1.00 0.00 C HETATM 1158 CHD HEM A 168 -4.430 -0.410 -5.059 1.00 0.00 C HETATM 1159 C1A HEM A 168 -4.997 -0.935 -10.455 1.00 0.00 C HETATM 1160 C2A HEM A 168 -5.229 -1.054 -11.875 1.00 0.00 C HETATM 1161 C3A HEM A 168 -6.453 -1.601 -12.033 1.00 0.00 C HETATM 1162 C4A HEM A 168 -6.990 -1.827 -10.712 1.00 0.00 C HETATM 1163 CMA HEM A 168 -7.160 -1.930 -13.316 1.00 0.00 C HETATM 1164 CAA HEM A 168 -4.261 -0.633 -12.942 1.00 0.00 C HETATM 1165 CBA HEM A 168 -4.118 0.879 -13.089 1.00 0.00 C HETATM 1166 CGA HEM A 168 -3.188 1.232 -14.241 1.00 0.00 C HETATM 1167 O1A HEM A 168 -3.353 0.614 -15.314 1.00 0.00 O HETATM 1168 O2A HEM A 168 -2.328 2.114 -14.025 1.00 0.00 O HETATM 1169 C1B HEM A 168 -8.714 -2.739 -9.185 1.00 0.00 C HETATM 1170 C2B HEM A 168 -9.844 -3.605 -8.944 1.00 0.00 C HETATM 1171 C3B HEM A 168 -9.985 -3.710 -7.606 1.00 0.00 C HETATM 1172 C4B HEM A 168 -8.943 -2.911 -7.005 1.00 0.00 C HETATM 1173 CMB HEM A 168 -10.679 -4.246 -10.014 1.00 0.00 C HETATM 1174 CAB HEM A 168 -11.012 -4.496 -6.843 1.00 0.00 C HETATM 1175 CBB HEM A 168 -11.069 -5.973 -7.221 1.00 0.00 C HETATM 1176 C1C HEM A 168 -7.510 -2.206 -5.017 1.00 0.00 C HETATM 1177 C2C HEM A 168 -7.378 -1.887 -3.615 1.00 0.00 C HETATM 1178 C3C HEM A 168 -6.230 -1.191 -3.473 1.00 0.00 C HETATM 1179 C4C HEM A 168 -5.640 -1.072 -4.786 1.00 0.00 C HETATM 1180 CMC HEM A 168 -8.359 -2.279 -2.549 1.00 0.00 C HETATM 1181 CAC HEM A 168 -5.641 -0.628 -2.212 1.00 0.00 C HETATM 1182 CBC HEM A 168 -5.633 -1.606 -1.041 1.00 0.00 C HETATM 1183 C1D HEM A 168 -3.916 -0.199 -6.335 1.00 0.00 C HETATM 1184 C2D HEM A 168 -2.687 0.508 -6.609 1.00 0.00 C HETATM 1185 C3D HEM A 168 -2.520 0.509 -7.948 1.00 0.00 C HETATM 1186 C4D HEM A 168 -3.644 -0.197 -8.517 1.00 0.00 C HETATM 1187 CMD HEM A 168 -1.794 1.113 -5.565 1.00 0.00 C HETATM 1188 CAD HEM A 168 -1.398 1.116 -8.738 1.00 0.00 C HETATM 1189 CBD HEM A 168 -1.255 2.624 -8.557 1.00 0.00 C HETATM 1190 CGD HEM A 168 0.210 3.036 -8.531 1.00 0.00 C HETATM 1191 O1D HEM A 168 0.936 2.498 -7.667 1.00 0.00 O HETATM 1192 O2D HEM A 168 0.577 3.882 -9.375 1.00 0.00 O HETATM 1193 NA HEM A 168 -6.087 -1.414 -9.749 1.00 0.00 N HETATM 1194 NB HEM A 168 -8.167 -2.318 -7.985 1.00 0.00 N HETATM 1195 NC HEM A 168 -6.436 -1.700 -5.728 1.00 0.00 N HETATM 1196 ND HEM A 168 -4.497 -0.628 -7.516 1.00 0.00 N HETATM 1197 FE HEM A 168 -6.355 -1.599 -7.632 1.00 0.00 FE HETATM 0 HMA1 HEM A 168 -6.845 -1.235 -14.094 1.00 0.00 H new HETATM 0 HMA2 HEM A 168 -8.237 -1.847 -13.170 1.00 0.00 H new HETATM 0 HMA3 HEM A 168 -6.913 -2.948 -13.617 1.00 0.00 H new HETATM 0 HMB1 HEM A 168 -10.690 -3.608 -10.898 1.00 0.00 H new HETATM 0 HMB2 HEM A 168 -11.698 -4.379 -9.650 1.00 0.00 H new HETATM 0 HMB3 HEM A 168 -10.256 -5.217 -10.273 1.00 0.00 H new HETATM 0 HMC1 HEM A 168 -7.835 -2.410 -1.603 1.00 0.00 H new HETATM 0 HMC2 HEM A 168 -8.845 -3.214 -2.828 1.00 0.00 H new HETATM 0 HMC3 HEM A 168 -9.111 -1.498 -2.442 1.00 0.00 H new HETATM 0 HMD1 HEM A 168 -0.762 1.099 -5.916 1.00 0.00 H new HETATM 0 HMD2 HEM A 168 -1.871 0.537 -4.643 1.00 0.00 H new HETATM 0 HMD3 HEM A 168 -2.100 2.142 -5.377 1.00 0.00 H new HETATM 0 HBB1 HEM A 168 -11.780 -6.635 -6.727 1.00 0.00 H new HETATM 0 HBB2 HEM A 168 -10.398 -6.366 -7.985 1.00 0.00 H new HETATM 0 HBC1 HEM A 168 -5.227 -1.299 -0.077 1.00 0.00 H new HETATM 0 HBC2 HEM A 168 -6.033 -2.612 -1.168 1.00 0.00 H new HETATM 0 HBA1 HEM A 168 -3.731 1.303 -12.162 1.00 0.00 H new HETATM 0 HBA2 HEM A 168 -5.098 1.325 -13.259 1.00 0.00 H new HETATM 0 HAA1 HEM A 168 -4.583 -1.052 -13.896 1.00 0.00 H new HETATM 0 HAA2 HEM A 168 -3.283 -1.060 -12.720 1.00 0.00 H new HETATM 0 HBD1 HEM A 168 -1.738 2.930 -7.629 1.00 0.00 H new HETATM 0 HBD2 HEM A 168 -1.767 3.141 -9.369 1.00 0.00 H new HETATM 0 HAD1 HEM A 168 -1.554 0.901 -9.795 1.00 0.00 H new HETATM 0 HAD2 HEM A 168 -0.463 0.636 -8.449 1.00 0.00 H new HETATM 0 HHA HEM A 168 -3.028 -0.153 -10.561 1.00 0.00 H new HETATM 0 HHB HEM A 168 -8.912 -2.558 -11.289 1.00 0.00 H new HETATM 0 HHC HEM A 168 -9.548 -3.068 -4.957 1.00 0.00 H new HETATM 0 HHD HEM A 168 -3.860 -0.039 -4.220 1.00 0.00 H new HETATM 0 HAB HEM A 168 -11.659 -4.051 -6.087 1.00 0.00 H new HETATM 0 HAC HEM A 168 -5.254 0.388 -2.140 1.00 0.00 H new