USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 9 HIS HE2 : A 9 HIS NE2 : A 238 HEMFE :(H bumps) USER MOD NoAdj-H: A 19 HIS HE2 : A 19 HIS NE2 : A 218 HEMFE :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 238 HEMFE :(H bumps) USER MOD NoAdj-H: A 49 HIS HE2 : A 49 HIS NE2 : A 261 HEMFE :(H bumps) USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 278 HEMFE :(H bumps) USER MOD NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 261 HEMFE :(H bumps) USER MOD NoAdj-H: A 65 HIS HE2 : A 65 HIS NE2 : A 218 HEMFE :(H bumps) USER MOD NoAdj-H: A 79 HIS HE2 : A 79 HIS NE2 : A 278 HEMFE :(H bumps) USER MOD Set 1.1: A 74 THR OG1 : rot 106:sc= 1.85 USER MOD Set 1.2: A 77 THR OG1 : rot 149:sc= 1.9 USER MOD Set 2.1: A 45 MET CE :methyl 136:sc= -6.57! (180deg=-2.35!) USER MOD Set 2.2: A 261 HEM CMB :methyl 150:sc= -3.7 (180deg=-1.54) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 12 MET CE :methyl -169:sc= -1.48 (180deg=-2.03!) USER MOD Single : A 17 ASN : amide:sc= 0.146 X(o=0.15,f=-0.028) USER MOD Single : A 25 SER OG : rot -91:sc= -0.981 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 150:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.09 K(o=-1.1,f=-1.7!) USER MOD Single : A 36 GLN : amide:sc= 0.188 X(o=0.19,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc=-0.00389 USER MOD Single : A 48 ASN : amide:sc= -0.486 K(o=-0.49,f=-3.5!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -126:sc= -0.408 (180deg=-1.02) USER MOD Single : A 68 LYS NZ :NH3+ -106:sc= 0.0729 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc=0.000416 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 HEM CMA :methyl 150:sc= -6.02! (180deg=-6.02!) USER MOD Single : A 218 HEM CMB :methyl -30:sc= -0.0721 (180deg=-0.367) USER MOD Single : A 218 HEM CMC :methyl -30:sc= -6.21! (180deg=-7.69!) USER MOD Single : A 218 HEM CMD :methyl -30:sc= -5.99! (180deg=-7.03!) USER MOD Single : A 238 HEM CMA :methyl 150:sc= -8.92! (180deg=-8.92!) USER MOD Single : A 238 HEM CMB :methyl -30:sc= -1.47 (180deg=-5.26!) USER MOD Single : A 238 HEM CMC :methyl 150:sc= -5.5! (180deg=-5.5!) USER MOD Single : A 238 HEM CMD :methyl 150:sc= -0.328 (180deg=-0.328) USER MOD Single : A 261 HEM CMA :methyl -30:sc= -0.226 (180deg=-0.26) USER MOD Single : A 261 HEM CMC :methyl -30:sc= -6.86! (180deg=-7.46!) USER MOD Single : A 261 HEM CMD :methyl -30:sc= -2.25 (180deg=-4.97!) USER MOD Single : A 278 HEM CMA :methyl 150:sc= -0.0502 (180deg=-0.0502) USER MOD Single : A 278 HEM CMB :methyl -30:sc= -0.27 (180deg=-0.873) USER MOD Single : A 278 HEM CMC :methyl -30:sc= -0.614 (180deg=-0.67) USER MOD Single : A 278 HEM CMD :methyl 150:sc= -5.53! (180deg=-5.53!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.372 -13.173 7.684 1.00 0.00 N ATOM 2 CA ALA A 1 13.551 -12.474 7.202 1.00 0.00 C ATOM 3 C ALA A 1 13.308 -12.001 5.768 1.00 0.00 C ATOM 4 O ALA A 1 14.016 -12.408 4.848 1.00 0.00 O ATOM 5 CB ALA A 1 14.770 -13.393 7.315 1.00 0.00 C ATOM 0 H1 ALA A 1 12.534 -13.496 8.659 1.00 0.00 H new ATOM 0 H2 ALA A 1 11.555 -12.530 7.664 1.00 0.00 H new ATOM 0 H3 ALA A 1 12.182 -13.994 7.075 1.00 0.00 H new ATOM 0 HA ALA A 1 13.750 -11.591 7.810 1.00 0.00 H new ATOM 0 HB1 ALA A 1 15.655 -12.869 6.954 1.00 0.00 H new ATOM 0 HB2 ALA A 1 14.916 -13.677 8.357 1.00 0.00 H new ATOM 0 HB3 ALA A 1 14.608 -14.288 6.715 1.00 0.00 H new ATOM 11 N ASP A 2 12.305 -11.147 5.622 1.00 0.00 N ATOM 12 CA ASP A 2 11.960 -10.614 4.316 1.00 0.00 C ATOM 13 C ASP A 2 12.186 -9.101 4.312 1.00 0.00 C ATOM 14 O ASP A 2 11.937 -8.430 5.312 1.00 0.00 O ATOM 15 CB ASP A 2 10.489 -10.874 3.986 1.00 0.00 C ATOM 16 CG ASP A 2 10.216 -12.176 3.230 1.00 0.00 C ATOM 17 OD1 ASP A 2 10.966 -12.555 2.318 1.00 0.00 O ATOM 18 OD2 ASP A 2 9.168 -12.821 3.617 1.00 0.00 O ATOM 0 H ASP A 2 11.720 -10.811 6.387 1.00 0.00 H new ATOM 0 HA ASP A 2 12.588 -11.107 3.574 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.920 -10.885 4.916 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.113 -10.041 3.392 1.00 0.00 H new ATOM 24 N GLU A 3 12.654 -8.608 3.174 1.00 0.00 N ATOM 25 CA GLU A 3 12.916 -7.186 3.027 1.00 0.00 C ATOM 26 C GLU A 3 11.600 -6.412 2.927 1.00 0.00 C ATOM 27 O GLU A 3 10.589 -6.954 2.483 1.00 0.00 O ATOM 28 CB GLU A 3 13.805 -6.915 1.812 1.00 0.00 C ATOM 29 CG GLU A 3 13.054 -7.197 0.509 1.00 0.00 C ATOM 30 CD GLU A 3 14.022 -7.598 -0.606 1.00 0.00 C ATOM 31 OE1 GLU A 3 14.785 -6.754 -1.099 1.00 0.00 O ATOM 32 OE2 GLU A 3 13.963 -8.838 -0.959 1.00 0.00 O ATOM 0 H GLU A 3 12.858 -9.168 2.346 1.00 0.00 H new ATOM 0 HA GLU A 3 13.452 -6.842 3.912 1.00 0.00 H new ATOM 0 HB2 GLU A 3 14.140 -5.878 1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 3 14.698 -7.539 1.864 1.00 0.00 H new ATOM 0 HG2 GLU A 3 12.328 -7.994 0.669 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.494 -6.311 0.209 1.00 0.00 H new ATOM 40 N THR A 4 11.656 -5.156 3.346 1.00 0.00 N ATOM 41 CA THR A 4 10.481 -4.302 3.309 1.00 0.00 C ATOM 42 C THR A 4 9.973 -4.155 1.873 1.00 0.00 C ATOM 43 O THR A 4 10.731 -4.335 0.921 1.00 0.00 O ATOM 44 CB THR A 4 10.845 -2.968 3.964 1.00 0.00 C ATOM 45 OG1 THR A 4 12.007 -2.540 3.258 1.00 0.00 O ATOM 46 CG2 THR A 4 11.327 -3.136 5.406 1.00 0.00 C ATOM 0 H THR A 4 12.497 -4.709 3.713 1.00 0.00 H new ATOM 0 HA THR A 4 9.655 -4.741 3.869 1.00 0.00 H new ATOM 0 HB THR A 4 9.979 -2.307 3.945 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.310 -1.680 3.618 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.572 -2.160 5.824 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.540 -3.598 6.001 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.213 -3.770 5.422 1.00 0.00 H new ATOM 54 N LEU A 5 8.694 -3.830 1.762 1.00 0.00 N ATOM 55 CA LEU A 5 8.076 -3.657 0.458 1.00 0.00 C ATOM 56 C LEU A 5 8.782 -2.524 -0.290 1.00 0.00 C ATOM 57 O LEU A 5 9.044 -2.635 -1.486 1.00 0.00 O ATOM 58 CB LEU A 5 6.567 -3.451 0.604 1.00 0.00 C ATOM 59 CG LEU A 5 5.706 -3.951 -0.558 1.00 0.00 C ATOM 60 CD1 LEU A 5 5.036 -5.282 -0.211 1.00 0.00 C ATOM 61 CD2 LEU A 5 4.689 -2.891 -0.984 1.00 0.00 C ATOM 0 H LEU A 5 8.068 -3.682 2.554 1.00 0.00 H new ATOM 0 HA LEU A 5 8.195 -4.559 -0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.239 -3.951 1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 5 6.377 -2.386 0.739 1.00 0.00 H new ATOM 0 HG LEU A 5 6.358 -4.132 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.430 -5.615 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.800 -6.029 0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.400 -5.152 0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.091 -3.273 -1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.037 -2.654 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.214 -1.990 -1.301 1.00 0.00 H new ATOM 73 N ALA A 6 9.069 -1.461 0.447 1.00 0.00 N ATOM 74 CA ALA A 6 9.740 -0.309 -0.132 1.00 0.00 C ATOM 75 C ALA A 6 11.054 -0.759 -0.774 1.00 0.00 C ATOM 76 O ALA A 6 11.391 -0.326 -1.875 1.00 0.00 O ATOM 77 CB ALA A 6 9.952 0.754 0.947 1.00 0.00 C ATOM 0 H ALA A 6 8.849 -1.373 1.439 1.00 0.00 H new ATOM 0 HA ALA A 6 9.127 0.139 -0.914 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.455 1.618 0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.987 1.061 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.565 0.342 1.748 1.00 0.00 H new ATOM 83 N GLU A 7 11.761 -1.621 -0.058 1.00 0.00 N ATOM 84 CA GLU A 7 13.030 -2.134 -0.544 1.00 0.00 C ATOM 85 C GLU A 7 12.826 -2.906 -1.849 1.00 0.00 C ATOM 86 O GLU A 7 13.398 -2.554 -2.880 1.00 0.00 O ATOM 87 CB GLU A 7 13.708 -3.010 0.511 1.00 0.00 C ATOM 88 CG GLU A 7 15.231 -2.875 0.439 1.00 0.00 C ATOM 89 CD GLU A 7 15.916 -3.959 1.274 1.00 0.00 C ATOM 90 OE1 GLU A 7 16.447 -4.930 0.715 1.00 0.00 O ATOM 91 OE2 GLU A 7 15.887 -3.765 2.549 1.00 0.00 O ATOM 0 H GLU A 7 11.479 -1.977 0.855 1.00 0.00 H new ATOM 0 HA GLU A 7 13.688 -1.289 -0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 7 13.360 -2.725 1.504 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.424 -4.052 0.361 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.558 -2.949 -0.598 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.530 -1.890 0.798 1.00 0.00 H new ATOM 99 N PHE A 8 12.009 -3.946 -1.762 1.00 0.00 N ATOM 100 CA PHE A 8 11.723 -4.772 -2.923 1.00 0.00 C ATOM 101 C PHE A 8 11.479 -3.909 -4.163 1.00 0.00 C ATOM 102 O PHE A 8 11.884 -4.272 -5.266 1.00 0.00 O ATOM 103 CB PHE A 8 10.451 -5.561 -2.607 1.00 0.00 C ATOM 104 CG PHE A 8 9.928 -6.394 -3.780 1.00 0.00 C ATOM 105 CD1 PHE A 8 10.606 -7.502 -4.182 1.00 0.00 C ATOM 106 CD2 PHE A 8 8.786 -6.025 -4.420 1.00 0.00 C ATOM 107 CE1 PHE A 8 10.121 -8.275 -5.270 1.00 0.00 C ATOM 108 CE2 PHE A 8 8.301 -6.798 -5.508 1.00 0.00 C ATOM 109 CZ PHE A 8 8.979 -7.907 -5.910 1.00 0.00 C ATOM 0 H PHE A 8 11.536 -4.235 -0.906 1.00 0.00 H new ATOM 0 HA PHE A 8 12.568 -5.428 -3.131 1.00 0.00 H new ATOM 0 HB2 PHE A 8 10.646 -6.223 -1.763 1.00 0.00 H new ATOM 0 HB3 PHE A 8 9.673 -4.865 -2.293 1.00 0.00 H new ATOM 0 HD1 PHE A 8 11.513 -7.794 -3.674 1.00 0.00 H new ATOM 0 HD2 PHE A 8 8.248 -5.144 -4.101 1.00 0.00 H new ATOM 0 HE1 PHE A 8 10.659 -9.155 -5.589 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.394 -6.506 -6.016 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.610 -8.495 -6.737 1.00 0.00 H new ATOM 119 N HIS A 9 10.818 -2.783 -3.940 1.00 0.00 N ATOM 120 CA HIS A 9 10.515 -1.865 -5.025 1.00 0.00 C ATOM 121 C HIS A 9 11.784 -1.112 -5.429 1.00 0.00 C ATOM 122 O HIS A 9 12.015 -0.868 -6.612 1.00 0.00 O ATOM 123 CB HIS A 9 9.367 -0.929 -4.641 1.00 0.00 C ATOM 124 CG HIS A 9 7.994 -1.519 -4.860 1.00 0.00 C ATOM 125 ND1 HIS A 9 7.356 -2.304 -3.915 1.00 0.00 N ATOM 126 CD2 HIS A 9 7.145 -1.430 -5.924 1.00 0.00 C ATOM 127 CE1 HIS A 9 6.177 -2.666 -4.400 1.00 0.00 C ATOM 128 NE2 HIS A 9 6.049 -2.124 -5.645 1.00 0.00 N ATOM 0 H HIS A 9 10.484 -2.485 -3.024 1.00 0.00 H new ATOM 0 HA HIS A 9 10.174 -2.425 -5.895 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.470 -0.656 -3.591 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.453 -0.009 -5.220 1.00 0.00 H new ATOM 0 HD1 HIS A 9 7.730 -2.560 -3.001 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.333 -0.887 -6.838 1.00 0.00 H new ATOM 0 HE1 HIS A 9 5.446 -3.282 -3.898 1.00 0.00 H new ATOM 136 N VAL A 10 12.573 -0.764 -4.423 1.00 0.00 N ATOM 137 CA VAL A 10 13.812 -0.044 -4.659 1.00 0.00 C ATOM 138 C VAL A 10 14.684 -0.841 -5.632 1.00 0.00 C ATOM 139 O VAL A 10 15.110 -0.318 -6.660 1.00 0.00 O ATOM 140 CB VAL A 10 14.511 0.244 -3.329 1.00 0.00 C ATOM 141 CG1 VAL A 10 16.013 0.454 -3.533 1.00 0.00 C ATOM 142 CG2 VAL A 10 13.880 1.449 -2.627 1.00 0.00 C ATOM 0 H VAL A 10 12.378 -0.968 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 10 13.610 0.922 -5.121 1.00 0.00 H new ATOM 0 HB VAL A 10 14.378 -0.626 -2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 10 16.486 0.657 -2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.450 -0.444 -3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 10 16.175 1.299 -4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.396 1.632 -1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.967 2.329 -3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.827 1.246 -2.431 1.00 0.00 H new ATOM 152 N GLU A 11 14.922 -2.094 -5.273 1.00 0.00 N ATOM 153 CA GLU A 11 15.734 -2.968 -6.101 1.00 0.00 C ATOM 154 C GLU A 11 15.204 -2.983 -7.536 1.00 0.00 C ATOM 155 O GLU A 11 15.924 -3.350 -8.464 1.00 0.00 O ATOM 156 CB GLU A 11 15.784 -4.383 -5.520 1.00 0.00 C ATOM 157 CG GLU A 11 16.837 -5.232 -6.235 1.00 0.00 C ATOM 158 CD GLU A 11 16.500 -6.721 -6.137 1.00 0.00 C ATOM 159 OE1 GLU A 11 15.590 -7.198 -6.831 1.00 0.00 O ATOM 160 OE2 GLU A 11 17.221 -7.390 -5.302 1.00 0.00 O ATOM 0 H GLU A 11 14.566 -2.524 -4.419 1.00 0.00 H new ATOM 0 HA GLU A 11 16.753 -2.580 -6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.012 -4.335 -4.455 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.806 -4.854 -5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.897 -4.937 -7.283 1.00 0.00 H new ATOM 0 HG3 GLU A 11 17.817 -5.048 -5.796 1.00 0.00 H new ATOM 168 N MET A 12 13.950 -2.581 -7.674 1.00 0.00 N ATOM 169 CA MET A 12 13.315 -2.543 -8.980 1.00 0.00 C ATOM 170 C MET A 12 13.234 -1.110 -9.510 1.00 0.00 C ATOM 171 O MET A 12 12.454 -0.823 -10.417 1.00 0.00 O ATOM 172 CB MET A 12 11.905 -3.131 -8.880 1.00 0.00 C ATOM 173 CG MET A 12 11.862 -4.551 -9.447 1.00 0.00 C ATOM 174 SD MET A 12 10.180 -5.149 -9.469 1.00 0.00 S ATOM 175 CE MET A 12 9.692 -4.760 -7.796 1.00 0.00 C ATOM 0 H MET A 12 13.356 -2.278 -6.902 1.00 0.00 H new ATOM 0 HA MET A 12 13.916 -3.133 -9.672 1.00 0.00 H new ATOM 0 HB2 MET A 12 11.585 -3.142 -7.838 1.00 0.00 H new ATOM 0 HB3 MET A 12 11.204 -2.497 -9.423 1.00 0.00 H new ATOM 0 HG2 MET A 12 12.273 -4.561 -10.456 1.00 0.00 H new ATOM 0 HG3 MET A 12 12.484 -5.212 -8.843 1.00 0.00 H new ATOM 0 HE1 MET A 12 8.738 -5.239 -7.575 1.00 0.00 H new ATOM 0 HE2 MET A 12 10.450 -5.123 -7.102 1.00 0.00 H new ATOM 0 HE3 MET A 12 9.589 -3.680 -7.689 1.00 0.00 H new ATOM 185 N GLY A 13 14.052 -0.249 -8.922 1.00 0.00 N ATOM 186 CA GLY A 13 14.083 1.147 -9.323 1.00 0.00 C ATOM 187 C GLY A 13 14.976 1.966 -8.389 1.00 0.00 C ATOM 188 O GLY A 13 16.118 2.273 -8.728 1.00 0.00 O ATOM 0 H GLY A 13 14.698 -0.492 -8.171 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.450 1.227 -10.346 1.00 0.00 H new ATOM 0 HA3 GLY A 13 13.072 1.554 -9.315 1.00 0.00 H new ATOM 192 N GLY A 14 14.423 2.296 -7.232 1.00 0.00 N ATOM 193 CA GLY A 14 15.155 3.074 -6.247 1.00 0.00 C ATOM 194 C GLY A 14 14.200 3.734 -5.250 1.00 0.00 C ATOM 195 O GLY A 14 13.022 3.387 -5.190 1.00 0.00 O ATOM 0 H GLY A 14 13.476 2.039 -6.954 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.853 2.428 -5.714 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.747 3.839 -6.749 1.00 0.00 H new ATOM 199 N CYS A 15 14.745 4.675 -4.493 1.00 0.00 N ATOM 200 CA CYS A 15 13.957 5.388 -3.502 1.00 0.00 C ATOM 201 C CYS A 15 13.033 6.363 -4.234 1.00 0.00 C ATOM 202 O CYS A 15 12.058 6.848 -3.661 1.00 0.00 O ATOM 203 CB CYS A 15 14.844 6.101 -2.479 1.00 0.00 C ATOM 204 SG CYS A 15 15.856 4.990 -1.434 1.00 0.00 S ATOM 0 H CYS A 15 15.723 4.960 -4.546 1.00 0.00 H new ATOM 0 HA CYS A 15 13.357 4.678 -2.932 1.00 0.00 H new ATOM 0 HB2 CYS A 15 15.508 6.784 -3.008 1.00 0.00 H new ATOM 0 HB3 CYS A 15 14.212 6.709 -1.832 1.00 0.00 H new ATOM 209 N GLU A 16 13.371 6.620 -5.489 1.00 0.00 N ATOM 210 CA GLU A 16 12.584 7.529 -6.305 1.00 0.00 C ATOM 211 C GLU A 16 11.384 6.795 -6.909 1.00 0.00 C ATOM 212 O GLU A 16 10.722 7.315 -7.806 1.00 0.00 O ATOM 213 CB GLU A 16 13.442 8.168 -7.398 1.00 0.00 C ATOM 214 CG GLU A 16 14.585 8.984 -6.791 1.00 0.00 C ATOM 215 CD GLU A 16 15.793 8.096 -6.486 1.00 0.00 C ATOM 216 OE1 GLU A 16 16.007 7.717 -5.325 1.00 0.00 O ATOM 217 OE2 GLU A 16 16.522 7.799 -7.508 1.00 0.00 O ATOM 0 H GLU A 16 14.179 6.215 -5.961 1.00 0.00 H new ATOM 0 HA GLU A 16 12.212 8.330 -5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.849 7.392 -8.046 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.822 8.812 -8.022 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.877 9.776 -7.481 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.245 9.468 -5.875 1.00 0.00 H new ATOM 225 N ASN A 17 11.141 5.600 -6.392 1.00 0.00 N ATOM 226 CA ASN A 17 10.033 4.790 -6.869 1.00 0.00 C ATOM 227 C ASN A 17 8.718 5.379 -6.355 1.00 0.00 C ATOM 228 O ASN A 17 7.667 5.186 -6.964 1.00 0.00 O ATOM 229 CB ASN A 17 10.139 3.353 -6.355 1.00 0.00 C ATOM 230 CG ASN A 17 9.476 2.373 -7.325 1.00 0.00 C ATOM 231 OD1 ASN A 17 10.118 1.538 -7.941 1.00 0.00 O ATOM 232 ND2 ASN A 17 8.158 2.520 -7.425 1.00 0.00 N ATOM 0 H ASN A 17 11.692 5.173 -5.648 1.00 0.00 H new ATOM 0 HA ASN A 17 10.063 4.787 -7.959 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.188 3.087 -6.224 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.666 3.277 -5.376 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.623 1.913 -8.046 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.682 3.240 -6.881 1.00 0.00 H new ATOM 239 N CYS A 18 8.819 6.086 -5.239 1.00 0.00 N ATOM 240 CA CYS A 18 7.651 6.705 -4.636 1.00 0.00 C ATOM 241 C CYS A 18 8.095 7.992 -3.939 1.00 0.00 C ATOM 242 O CYS A 18 7.473 8.424 -2.970 1.00 0.00 O ATOM 243 CB CYS A 18 6.939 5.752 -3.675 1.00 0.00 C ATOM 244 SG CYS A 18 7.058 4.034 -4.294 1.00 0.00 S ATOM 0 H CYS A 18 9.692 6.244 -4.736 1.00 0.00 H new ATOM 0 HA CYS A 18 6.923 6.946 -5.411 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.386 5.822 -2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.892 6.039 -3.574 1.00 0.00 H new ATOM 249 N HIS A 19 9.169 8.569 -4.459 1.00 0.00 N ATOM 250 CA HIS A 19 9.703 9.799 -3.899 1.00 0.00 C ATOM 251 C HIS A 19 10.302 10.655 -5.016 1.00 0.00 C ATOM 252 O HIS A 19 11.207 10.215 -5.723 1.00 0.00 O ATOM 253 CB HIS A 19 10.706 9.496 -2.783 1.00 0.00 C ATOM 254 CG HIS A 19 10.105 8.783 -1.595 1.00 0.00 C ATOM 255 ND1 HIS A 19 8.885 9.137 -1.046 1.00 0.00 N ATOM 256 CD2 HIS A 19 10.569 7.733 -0.858 1.00 0.00 C ATOM 257 CE1 HIS A 19 8.636 8.331 -0.024 1.00 0.00 C ATOM 258 NE2 HIS A 19 9.681 7.462 0.091 1.00 0.00 N ATOM 0 H HIS A 19 9.684 8.207 -5.262 1.00 0.00 H new ATOM 0 HA HIS A 19 8.898 10.373 -3.441 1.00 0.00 H new ATOM 0 HB2 HIS A 19 11.513 8.887 -3.189 1.00 0.00 H new ATOM 0 HB3 HIS A 19 11.152 10.432 -2.445 1.00 0.00 H new ATOM 0 HD1 HIS A 19 8.280 9.891 -1.373 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.501 7.211 -1.019 1.00 0.00 H new ATOM 0 HE1 HIS A 19 7.760 8.358 0.607 1.00 0.00 H new ATOM 266 N ALA A 20 9.770 11.862 -5.142 1.00 0.00 N ATOM 267 CA ALA A 20 10.240 12.784 -6.162 1.00 0.00 C ATOM 268 C ALA A 20 11.498 13.497 -5.659 1.00 0.00 C ATOM 269 O ALA A 20 11.450 14.222 -4.667 1.00 0.00 O ATOM 270 CB ALA A 20 9.120 13.763 -6.521 1.00 0.00 C ATOM 0 H ALA A 20 9.018 12.223 -4.555 1.00 0.00 H new ATOM 0 HA ALA A 20 10.507 12.246 -7.072 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.473 14.455 -7.286 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.261 13.210 -6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.828 14.323 -5.633 1.00 0.00 H new ATOM 276 N ASP A 21 12.593 13.264 -6.367 1.00 0.00 N ATOM 277 CA ASP A 21 13.861 13.875 -6.005 1.00 0.00 C ATOM 278 C ASP A 21 14.083 13.725 -4.498 1.00 0.00 C ATOM 279 O ASP A 21 14.587 14.639 -3.848 1.00 0.00 O ATOM 280 CB ASP A 21 13.869 15.368 -6.338 1.00 0.00 C ATOM 281 CG ASP A 21 15.255 16.013 -6.389 1.00 0.00 C ATOM 282 OD1 ASP A 21 15.897 16.229 -5.350 1.00 0.00 O ATOM 283 OD2 ASP A 21 15.680 16.300 -7.572 1.00 0.00 O ATOM 0 H ASP A 21 12.629 12.661 -7.189 1.00 0.00 H new ATOM 0 HA ASP A 21 14.649 13.376 -6.570 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.382 15.512 -7.303 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.268 15.893 -5.596 1.00 0.00 H new ATOM 289 N GLY A 22 13.696 12.565 -3.988 1.00 0.00 N ATOM 290 CA GLY A 22 13.845 12.284 -2.570 1.00 0.00 C ATOM 291 C GLY A 22 13.185 13.373 -1.723 1.00 0.00 C ATOM 292 O GLY A 22 13.827 13.965 -0.856 1.00 0.00 O ATOM 0 H GLY A 22 13.280 11.809 -4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.398 11.317 -2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.903 12.214 -2.319 1.00 0.00 H new ATOM 296 N GLU A 23 11.911 13.605 -2.002 1.00 0.00 N ATOM 297 CA GLU A 23 11.156 14.612 -1.276 1.00 0.00 C ATOM 298 C GLU A 23 9.716 14.144 -1.062 1.00 0.00 C ATOM 299 O GLU A 23 8.781 14.583 -1.729 1.00 0.00 O ATOM 300 CB GLU A 23 11.193 15.957 -2.006 1.00 0.00 C ATOM 301 CG GLU A 23 11.237 17.119 -1.012 1.00 0.00 C ATOM 302 CD GLU A 23 10.438 18.316 -1.532 1.00 0.00 C ATOM 303 OE1 GLU A 23 9.205 18.343 -1.401 1.00 0.00 O ATOM 304 OE2 GLU A 23 11.144 19.241 -2.089 1.00 0.00 O ATOM 0 H GLU A 23 11.382 13.112 -2.722 1.00 0.00 H new ATOM 0 HA GLU A 23 11.620 14.753 -0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.066 15.998 -2.657 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.315 16.053 -2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.833 16.797 -0.052 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.272 17.415 -0.839 1.00 0.00 H new ATOM 312 N PRO A 24 9.556 13.230 -0.102 1.00 0.00 N ATOM 313 CA PRO A 24 8.283 12.651 0.270 1.00 0.00 C ATOM 314 C PRO A 24 7.212 13.732 0.272 1.00 0.00 C ATOM 315 O PRO A 24 7.373 14.726 0.978 1.00 0.00 O ATOM 316 CB PRO A 24 8.502 12.094 1.675 1.00 0.00 C ATOM 317 CG PRO A 24 9.955 11.738 1.682 1.00 0.00 C ATOM 318 CD PRO A 24 10.633 12.693 0.701 1.00 0.00 C ATOM 0 HA PRO A 24 7.951 11.876 -0.421 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.265 12.832 2.442 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.874 11.224 1.865 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.377 11.843 2.682 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.103 10.701 1.381 1.00 0.00 H new ATOM 0 HD2 PRO A 24 11.167 13.485 1.226 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.364 12.171 0.083 1.00 0.00 H new ATOM 326 N SER A 25 6.157 13.525 -0.503 1.00 0.00 N ATOM 327 CA SER A 25 5.079 14.496 -0.575 1.00 0.00 C ATOM 328 C SER A 25 4.617 14.870 0.835 1.00 0.00 C ATOM 329 O SER A 25 4.894 14.151 1.794 1.00 0.00 O ATOM 330 CB SER A 25 3.904 13.955 -1.392 1.00 0.00 C ATOM 331 OG SER A 25 3.246 14.984 -2.125 1.00 0.00 O ATOM 0 H SER A 25 6.026 12.699 -1.087 1.00 0.00 H new ATOM 0 HA SER A 25 5.455 15.388 -1.076 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.263 13.191 -2.082 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.190 13.472 -0.725 1.00 0.00 H new ATOM 0 HG SER A 25 2.521 15.359 -1.583 1.00 0.00 H new ATOM 337 N LYS A 26 3.920 15.993 0.917 1.00 0.00 N ATOM 338 CA LYS A 26 3.417 16.471 2.193 1.00 0.00 C ATOM 339 C LYS A 26 1.890 16.374 2.204 1.00 0.00 C ATOM 340 O LYS A 26 1.210 17.269 2.703 1.00 0.00 O ATOM 341 CB LYS A 26 3.945 17.877 2.485 1.00 0.00 C ATOM 342 CG LYS A 26 3.454 18.876 1.435 1.00 0.00 C ATOM 343 CD LYS A 26 3.228 20.256 2.055 1.00 0.00 C ATOM 344 CE LYS A 26 4.545 21.024 2.181 1.00 0.00 C ATOM 345 NZ LYS A 26 4.365 22.434 1.769 1.00 0.00 N ATOM 0 H LYS A 26 3.691 16.586 0.120 1.00 0.00 H new ATOM 0 HA LYS A 26 3.783 15.843 3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.617 18.194 3.475 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.035 17.865 2.499 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.184 18.951 0.629 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.526 18.516 0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.529 20.824 1.441 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.772 20.146 3.039 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.900 20.982 3.211 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.308 20.553 1.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.269 22.941 1.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.048 22.469 0.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.652 22.885 2.377 1.00 0.00 H new ATOM 358 N ASP A 27 1.395 15.278 1.646 1.00 0.00 N ATOM 359 CA ASP A 27 -0.039 15.052 1.585 1.00 0.00 C ATOM 360 C ASP A 27 -0.320 13.552 1.705 1.00 0.00 C ATOM 361 O ASP A 27 -0.963 13.112 2.657 1.00 0.00 O ATOM 362 CB ASP A 27 -0.617 15.536 0.254 1.00 0.00 C ATOM 363 CG ASP A 27 0.265 15.271 -0.968 1.00 0.00 C ATOM 364 OD1 ASP A 27 1.242 14.511 -0.898 1.00 0.00 O ATOM 365 OD2 ASP A 27 -0.091 15.890 -2.042 1.00 0.00 O ATOM 0 H ASP A 27 1.962 14.538 1.232 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.503 15.605 2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.582 15.055 0.098 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.803 16.608 0.324 1.00 0.00 H new ATOM 371 N GLY A 28 0.177 12.810 0.727 1.00 0.00 N ATOM 372 CA GLY A 28 -0.013 11.369 0.711 1.00 0.00 C ATOM 373 C GLY A 28 -0.699 10.921 -0.581 1.00 0.00 C ATOM 374 O GLY A 28 -0.659 9.743 -0.933 1.00 0.00 O ATOM 0 H GLY A 28 0.711 13.179 -0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.952 10.870 0.807 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.614 11.068 1.569 1.00 0.00 H new ATOM 378 N ALA A 29 -1.314 11.884 -1.252 1.00 0.00 N ATOM 379 CA ALA A 29 -2.008 11.603 -2.497 1.00 0.00 C ATOM 380 C ALA A 29 -0.992 11.545 -3.641 1.00 0.00 C ATOM 381 O ALA A 29 -0.827 10.532 -4.316 1.00 0.00 O ATOM 382 CB ALA A 29 -3.088 12.662 -2.730 1.00 0.00 C ATOM 0 H ALA A 29 -1.346 12.860 -0.957 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.506 10.635 -2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.609 12.451 -3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.800 12.643 -1.905 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.625 13.647 -2.787 1.00 0.00 H new ATOM 388 N TYR A 30 -0.307 12.672 -3.844 1.00 0.00 N ATOM 389 CA TYR A 30 0.691 12.780 -4.889 1.00 0.00 C ATOM 390 C TYR A 30 1.509 11.498 -4.956 1.00 0.00 C ATOM 391 O TYR A 30 1.714 10.981 -6.053 1.00 0.00 O ATOM 392 CB TYR A 30 1.589 13.981 -4.610 1.00 0.00 C ATOM 393 CG TYR A 30 2.794 14.057 -5.518 1.00 0.00 C ATOM 394 CD1 TYR A 30 2.624 14.062 -6.908 1.00 0.00 C ATOM 395 CD2 TYR A 30 4.081 14.121 -4.970 1.00 0.00 C ATOM 396 CE1 TYR A 30 3.741 14.131 -7.749 1.00 0.00 C ATOM 397 CE2 TYR A 30 5.197 14.190 -5.811 1.00 0.00 C ATOM 398 CZ TYR A 30 5.028 14.195 -7.201 1.00 0.00 C ATOM 399 OH TYR A 30 6.116 14.262 -8.020 1.00 0.00 O ATOM 0 H TYR A 30 -0.432 13.521 -3.292 1.00 0.00 H new ATOM 0 HA TYR A 30 0.201 12.925 -5.852 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.004 14.895 -4.718 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.926 13.939 -3.574 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.632 14.013 -7.331 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.212 14.117 -3.898 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.610 14.135 -8.821 1.00 0.00 H new ATOM 0 HE2 TYR A 30 6.189 14.239 -5.388 1.00 0.00 H new ATOM 0 HH TYR A 30 6.832 14.760 -7.573 1.00 0.00 H new ATOM 409 N GLU A 31 1.955 11.018 -3.805 1.00 0.00 N ATOM 410 CA GLU A 31 2.745 9.800 -3.758 1.00 0.00 C ATOM 411 C GLU A 31 1.878 8.590 -4.112 1.00 0.00 C ATOM 412 O GLU A 31 2.244 7.789 -4.971 1.00 0.00 O ATOM 413 CB GLU A 31 3.399 9.623 -2.386 1.00 0.00 C ATOM 414 CG GLU A 31 2.342 9.483 -1.289 1.00 0.00 C ATOM 415 CD GLU A 31 2.943 9.759 0.091 1.00 0.00 C ATOM 416 OE1 GLU A 31 3.246 10.917 0.415 1.00 0.00 O ATOM 417 OE2 GLU A 31 3.093 8.718 0.838 1.00 0.00 O ATOM 0 H GLU A 31 1.784 11.451 -2.897 1.00 0.00 H new ATOM 0 HA GLU A 31 3.542 9.879 -4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.038 8.740 -2.395 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.040 10.478 -2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.523 10.177 -1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.920 8.478 -1.312 1.00 0.00 H new ATOM 425 N PHE A 32 0.744 8.496 -3.433 1.00 0.00 N ATOM 426 CA PHE A 32 -0.178 7.397 -3.665 1.00 0.00 C ATOM 427 C PHE A 32 -0.386 7.163 -5.163 1.00 0.00 C ATOM 428 O PHE A 32 -0.646 6.039 -5.589 1.00 0.00 O ATOM 429 CB PHE A 32 -1.514 7.793 -3.032 1.00 0.00 C ATOM 430 CG PHE A 32 -2.695 6.931 -3.482 1.00 0.00 C ATOM 431 CD1 PHE A 32 -2.680 5.589 -3.261 1.00 0.00 C ATOM 432 CD2 PHE A 32 -3.760 7.507 -4.102 1.00 0.00 C ATOM 433 CE1 PHE A 32 -3.777 4.789 -3.678 1.00 0.00 C ATOM 434 CE2 PHE A 32 -4.856 6.707 -4.519 1.00 0.00 C ATOM 435 CZ PHE A 32 -4.841 5.365 -4.299 1.00 0.00 C ATOM 0 H PHE A 32 0.443 9.163 -2.722 1.00 0.00 H new ATOM 0 HA PHE A 32 0.221 6.479 -3.233 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.424 7.730 -1.948 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.725 8.835 -3.274 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.834 5.132 -2.769 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.772 8.573 -4.277 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.766 3.723 -3.502 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -5.702 7.164 -5.011 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.674 4.756 -4.618 1.00 0.00 H new ATOM 445 N GLU A 33 -0.264 8.243 -5.920 1.00 0.00 N ATOM 446 CA GLU A 33 -0.435 8.170 -7.361 1.00 0.00 C ATOM 447 C GLU A 33 0.605 7.229 -7.972 1.00 0.00 C ATOM 448 O GLU A 33 0.296 6.465 -8.886 1.00 0.00 O ATOM 449 CB GLU A 33 -0.356 9.560 -7.995 1.00 0.00 C ATOM 450 CG GLU A 33 -1.724 10.005 -8.515 1.00 0.00 C ATOM 451 CD GLU A 33 -1.855 9.734 -10.015 1.00 0.00 C ATOM 452 OE1 GLU A 33 -0.970 10.118 -10.794 1.00 0.00 O ATOM 453 OE2 GLU A 33 -2.923 9.100 -10.363 1.00 0.00 O ATOM 0 H GLU A 33 -0.049 9.174 -5.563 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.427 7.768 -7.569 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.009 10.278 -7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.362 9.549 -8.815 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.511 9.477 -7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.863 11.069 -8.320 1.00 0.00 H new ATOM 461 N GLN A 34 1.817 7.314 -7.443 1.00 0.00 N ATOM 462 CA GLN A 34 2.904 6.479 -7.925 1.00 0.00 C ATOM 463 C GLN A 34 2.441 5.027 -8.057 1.00 0.00 C ATOM 464 O GLN A 34 2.845 4.324 -8.982 1.00 0.00 O ATOM 465 CB GLN A 34 4.124 6.584 -7.007 1.00 0.00 C ATOM 466 CG GLN A 34 4.740 7.983 -7.071 1.00 0.00 C ATOM 467 CD GLN A 34 4.814 8.484 -8.515 1.00 0.00 C ATOM 468 OE1 GLN A 34 5.118 7.748 -9.440 1.00 0.00 O ATOM 469 NE2 GLN A 34 4.521 9.773 -8.657 1.00 0.00 N ATOM 0 H GLN A 34 2.070 7.948 -6.685 1.00 0.00 H new ATOM 0 HA GLN A 34 3.200 6.836 -8.911 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.832 6.358 -5.981 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.867 5.842 -7.298 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.146 8.674 -6.473 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.740 7.964 -6.637 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.274 10.333 -7.841 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.543 10.202 -9.582 1.00 0.00 H new ATOM 478 N CYS A 35 1.598 4.621 -7.118 1.00 0.00 N ATOM 479 CA CYS A 35 1.075 3.265 -7.118 1.00 0.00 C ATOM 480 C CYS A 35 -0.147 3.222 -8.037 1.00 0.00 C ATOM 481 O CYS A 35 -1.201 2.718 -7.651 1.00 0.00 O ATOM 482 CB CYS A 35 0.743 2.787 -5.703 1.00 0.00 C ATOM 483 SG CYS A 35 1.720 3.582 -4.375 1.00 0.00 S ATOM 0 H CYS A 35 1.265 5.207 -6.353 1.00 0.00 H new ATOM 0 HA CYS A 35 1.835 2.579 -7.493 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.315 2.966 -5.513 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.898 1.709 -5.653 1.00 0.00 H new ATOM 488 N GLN A 36 0.034 3.757 -9.236 1.00 0.00 N ATOM 489 CA GLN A 36 -1.041 3.785 -10.212 1.00 0.00 C ATOM 490 C GLN A 36 -0.470 3.748 -11.631 1.00 0.00 C ATOM 491 O GLN A 36 -0.611 4.709 -12.386 1.00 0.00 O ATOM 492 CB GLN A 36 -1.932 5.013 -10.012 1.00 0.00 C ATOM 493 CG GLN A 36 -3.411 4.620 -9.991 1.00 0.00 C ATOM 494 CD GLN A 36 -4.172 5.408 -8.923 1.00 0.00 C ATOM 495 OE1 GLN A 36 -4.872 4.857 -8.089 1.00 0.00 O ATOM 496 NE2 GLN A 36 -3.997 6.725 -8.994 1.00 0.00 N ATOM 0 H GLN A 36 0.909 4.174 -9.553 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.660 2.900 -10.067 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.670 5.508 -9.077 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.754 5.730 -10.813 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.854 4.805 -10.969 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.504 3.552 -9.796 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.397 7.122 -9.717 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.463 7.338 -8.325 1.00 0.00 H new ATOM 505 N SER A 37 0.162 2.628 -11.952 1.00 0.00 N ATOM 506 CA SER A 37 0.754 2.454 -13.267 1.00 0.00 C ATOM 507 C SER A 37 1.140 0.988 -13.476 1.00 0.00 C ATOM 508 O SER A 37 0.497 0.277 -14.247 1.00 0.00 O ATOM 509 CB SER A 37 1.978 3.355 -13.443 1.00 0.00 C ATOM 510 OG SER A 37 2.082 3.859 -14.772 1.00 0.00 O ATOM 0 H SER A 37 0.277 1.833 -11.324 1.00 0.00 H new ATOM 0 HA SER A 37 0.015 2.740 -14.016 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.919 4.188 -12.743 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.880 2.794 -13.196 1.00 0.00 H new ATOM 0 HG SER A 37 2.875 4.431 -14.844 1.00 0.00 H new ATOM 516 N CYS A 38 2.188 0.579 -12.776 1.00 0.00 N ATOM 517 CA CYS A 38 2.667 -0.789 -12.875 1.00 0.00 C ATOM 518 C CYS A 38 1.625 -1.711 -12.236 1.00 0.00 C ATOM 519 O CYS A 38 1.701 -2.930 -12.376 1.00 0.00 O ATOM 520 CB CYS A 38 4.045 -0.955 -12.232 1.00 0.00 C ATOM 521 SG CYS A 38 5.090 0.500 -12.610 1.00 0.00 S ATOM 0 H CYS A 38 2.719 1.171 -12.138 1.00 0.00 H new ATOM 0 HA CYS A 38 2.794 -1.056 -13.924 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.941 -1.068 -11.153 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.522 -1.862 -12.603 1.00 0.00 H new ATOM 526 N HIS A 39 0.676 -1.091 -11.549 1.00 0.00 N ATOM 527 CA HIS A 39 -0.379 -1.840 -10.889 1.00 0.00 C ATOM 528 C HIS A 39 -1.733 -1.461 -11.492 1.00 0.00 C ATOM 529 O HIS A 39 -2.197 -2.099 -12.436 1.00 0.00 O ATOM 530 CB HIS A 39 -0.326 -1.633 -9.374 1.00 0.00 C ATOM 531 CG HIS A 39 0.900 -2.220 -8.716 1.00 0.00 C ATOM 532 ND1 HIS A 39 1.183 -3.575 -8.731 1.00 0.00 N ATOM 533 CD2 HIS A 39 1.913 -1.623 -8.025 1.00 0.00 C ATOM 534 CE1 HIS A 39 2.317 -3.772 -8.075 1.00 0.00 C ATOM 535 NE2 HIS A 39 2.768 -2.562 -7.638 1.00 0.00 N ATOM 0 H HIS A 39 0.616 -0.079 -11.436 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.232 -2.907 -11.057 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.363 -0.564 -9.162 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.214 -2.078 -8.926 1.00 0.00 H new ATOM 0 HD1 HIS A 39 0.615 -4.298 -9.172 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.004 -0.565 -7.826 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.800 -4.725 -7.914 1.00 0.00 H new ATOM 543 N GLY A 40 -2.328 -0.423 -10.922 1.00 0.00 N ATOM 544 CA GLY A 40 -3.619 0.049 -11.392 1.00 0.00 C ATOM 545 C GLY A 40 -4.394 0.738 -10.267 1.00 0.00 C ATOM 546 O GLY A 40 -3.796 1.311 -9.358 1.00 0.00 O ATOM 0 H GLY A 40 -1.940 0.104 -10.140 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.477 0.744 -12.219 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.199 -0.790 -11.777 1.00 0.00 H new ATOM 550 N SER A 41 -5.713 0.660 -10.365 1.00 0.00 N ATOM 551 CA SER A 41 -6.576 1.268 -9.367 1.00 0.00 C ATOM 552 C SER A 41 -7.307 0.183 -8.575 1.00 0.00 C ATOM 553 O SER A 41 -7.583 -0.895 -9.101 1.00 0.00 O ATOM 554 CB SER A 41 -7.582 2.221 -10.016 1.00 0.00 C ATOM 555 OG SER A 41 -8.550 1.525 -10.796 1.00 0.00 O ATOM 0 H SER A 41 -6.205 0.184 -11.121 1.00 0.00 H new ATOM 0 HA SER A 41 -5.954 1.848 -8.685 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.087 2.797 -9.241 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.051 2.933 -10.648 1.00 0.00 H new ATOM 0 HG SER A 41 -9.175 2.168 -11.192 1.00 0.00 H new ATOM 561 N LEU A 42 -7.600 0.504 -7.323 1.00 0.00 N ATOM 562 CA LEU A 42 -8.294 -0.431 -6.454 1.00 0.00 C ATOM 563 C LEU A 42 -9.622 -0.831 -7.099 1.00 0.00 C ATOM 564 O LEU A 42 -10.025 -1.991 -7.029 1.00 0.00 O ATOM 565 CB LEU A 42 -8.445 0.156 -5.049 1.00 0.00 C ATOM 566 CG LEU A 42 -7.156 0.644 -4.383 1.00 0.00 C ATOM 567 CD1 LEU A 42 -7.395 1.944 -3.613 1.00 0.00 C ATOM 568 CD2 LEU A 42 -6.551 -0.445 -3.495 1.00 0.00 C ATOM 0 H LEU A 42 -7.369 1.398 -6.890 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.711 -1.344 -6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.143 0.991 -5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.898 -0.600 -4.408 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.429 0.862 -5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.463 2.269 -3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.747 2.714 -4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.145 1.777 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.636 -0.072 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.264 -0.718 -2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.321 -1.322 -4.100 1.00 0.00 H new ATOM 580 N ALA A 43 -10.265 0.151 -7.713 1.00 0.00 N ATOM 581 CA ALA A 43 -11.539 -0.084 -8.370 1.00 0.00 C ATOM 582 C ALA A 43 -11.340 -1.075 -9.519 1.00 0.00 C ATOM 583 O ALA A 43 -12.309 -1.605 -10.061 1.00 0.00 O ATOM 584 CB ALA A 43 -12.123 1.248 -8.844 1.00 0.00 C ATOM 0 H ALA A 43 -9.927 1.112 -7.769 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.254 -0.524 -7.675 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.079 1.071 -9.337 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.272 1.905 -7.987 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.434 1.718 -9.546 1.00 0.00 H new ATOM 590 N GLU A 44 -10.078 -1.296 -9.856 1.00 0.00 N ATOM 591 CA GLU A 44 -9.739 -2.214 -10.930 1.00 0.00 C ATOM 592 C GLU A 44 -9.142 -3.502 -10.359 1.00 0.00 C ATOM 593 O GLU A 44 -8.526 -4.280 -11.086 1.00 0.00 O ATOM 594 CB GLU A 44 -8.782 -1.561 -11.928 1.00 0.00 C ATOM 595 CG GLU A 44 -8.686 -2.382 -13.215 1.00 0.00 C ATOM 596 CD GLU A 44 -9.468 -1.717 -14.350 1.00 0.00 C ATOM 597 OE1 GLU A 44 -10.682 -1.931 -14.476 1.00 0.00 O ATOM 598 OE2 GLU A 44 -8.768 -0.951 -15.117 1.00 0.00 O ATOM 0 H GLU A 44 -9.277 -0.855 -9.404 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.653 -2.468 -11.467 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.126 -0.553 -12.160 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.793 -1.465 -11.479 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.641 -2.491 -13.504 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.074 -3.385 -13.040 1.00 0.00 H new ATOM 606 N MET A 45 -9.345 -3.687 -9.063 1.00 0.00 N ATOM 607 CA MET A 45 -8.834 -4.867 -8.387 1.00 0.00 C ATOM 608 C MET A 45 -9.978 -5.770 -7.920 1.00 0.00 C ATOM 609 O MET A 45 -11.139 -5.527 -8.249 1.00 0.00 O ATOM 610 CB MET A 45 -7.995 -4.441 -7.180 1.00 0.00 C ATOM 611 CG MET A 45 -6.787 -3.611 -7.619 1.00 0.00 C ATOM 612 SD MET A 45 -5.549 -3.608 -6.333 1.00 0.00 S ATOM 613 CE MET A 45 -4.533 -2.248 -6.883 1.00 0.00 C ATOM 0 H MET A 45 -9.856 -3.040 -8.463 1.00 0.00 H new ATOM 0 HA MET A 45 -8.218 -5.427 -9.090 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.609 -3.860 -6.492 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.657 -5.324 -6.638 1.00 0.00 H new ATOM 0 HG2 MET A 45 -6.368 -4.021 -8.538 1.00 0.00 H new ATOM 0 HG3 MET A 45 -7.098 -2.590 -7.839 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.278 -1.617 -6.032 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.619 -2.635 -7.334 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.080 -1.660 -7.620 1.00 0.00 H new ATOM 623 N ASP A 46 -9.611 -6.792 -7.161 1.00 0.00 N ATOM 624 CA ASP A 46 -10.592 -7.732 -6.646 1.00 0.00 C ATOM 625 C ASP A 46 -11.717 -6.960 -5.954 1.00 0.00 C ATOM 626 O ASP A 46 -11.685 -5.732 -5.892 1.00 0.00 O ATOM 627 CB ASP A 46 -9.964 -8.675 -5.618 1.00 0.00 C ATOM 628 CG ASP A 46 -8.516 -8.352 -5.244 1.00 0.00 C ATOM 629 OD1 ASP A 46 -8.219 -7.985 -4.098 1.00 0.00 O ATOM 630 OD2 ASP A 46 -7.661 -8.494 -6.201 1.00 0.00 O ATOM 0 H ASP A 46 -8.648 -6.990 -6.890 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.973 -8.315 -7.484 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.570 -8.656 -4.712 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.005 -9.692 -6.008 1.00 0.00 H new ATOM 636 N ASP A 47 -12.685 -7.712 -5.452 1.00 0.00 N ATOM 637 CA ASP A 47 -13.819 -7.114 -4.767 1.00 0.00 C ATOM 638 C ASP A 47 -13.440 -6.836 -3.311 1.00 0.00 C ATOM 639 O ASP A 47 -14.298 -6.501 -2.496 1.00 0.00 O ATOM 640 CB ASP A 47 -15.024 -8.057 -4.770 1.00 0.00 C ATOM 641 CG ASP A 47 -15.930 -7.944 -5.998 1.00 0.00 C ATOM 642 OD1 ASP A 47 -16.425 -6.856 -6.329 1.00 0.00 O ATOM 643 OD2 ASP A 47 -16.124 -9.049 -6.636 1.00 0.00 O ATOM 0 H ASP A 47 -12.708 -8.730 -5.506 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.081 -6.193 -5.288 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.664 -9.083 -4.696 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.620 -7.864 -3.878 1.00 0.00 H new ATOM 649 N ASN A 48 -12.154 -6.985 -3.028 1.00 0.00 N ATOM 650 CA ASN A 48 -11.652 -6.754 -1.685 1.00 0.00 C ATOM 651 C ASN A 48 -10.933 -5.404 -1.639 1.00 0.00 C ATOM 652 O ASN A 48 -10.964 -4.714 -0.621 1.00 0.00 O ATOM 653 CB ASN A 48 -10.651 -7.837 -1.277 1.00 0.00 C ATOM 654 CG ASN A 48 -11.214 -9.233 -1.547 1.00 0.00 C ATOM 655 OD1 ASN A 48 -12.370 -9.408 -1.895 1.00 0.00 O ATOM 656 ND2 ASN A 48 -10.335 -10.215 -1.369 1.00 0.00 N ATOM 0 H ASN A 48 -11.445 -7.263 -3.706 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.500 -6.771 -1.001 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.720 -7.703 -1.828 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.412 -7.736 -0.218 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.614 -11.184 -1.525 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.382 -10.000 -1.077 1.00 0.00 H new ATOM 663 N HIS A 49 -10.302 -5.068 -2.755 1.00 0.00 N ATOM 664 CA HIS A 49 -9.576 -3.813 -2.855 1.00 0.00 C ATOM 665 C HIS A 49 -10.540 -2.692 -3.249 1.00 0.00 C ATOM 666 O HIS A 49 -10.374 -1.549 -2.828 1.00 0.00 O ATOM 667 CB HIS A 49 -8.395 -3.944 -3.818 1.00 0.00 C ATOM 668 CG HIS A 49 -7.165 -4.568 -3.201 1.00 0.00 C ATOM 669 ND1 HIS A 49 -7.019 -5.934 -3.039 1.00 0.00 N ATOM 670 CD2 HIS A 49 -6.028 -3.998 -2.711 1.00 0.00 C ATOM 671 CE1 HIS A 49 -5.843 -6.165 -2.474 1.00 0.00 C ATOM 672 NE2 HIS A 49 -5.230 -4.963 -2.271 1.00 0.00 N ATOM 0 H HIS A 49 -10.279 -5.643 -3.597 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.152 -3.556 -1.884 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.703 -4.543 -4.675 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.137 -2.955 -4.197 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -7.701 -6.643 -3.309 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.813 -2.940 -2.685 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.440 -7.134 -2.219 1.00 0.00 H new ATOM 680 N LYS A 50 -11.528 -3.060 -4.052 1.00 0.00 N ATOM 681 CA LYS A 50 -12.519 -2.100 -4.507 1.00 0.00 C ATOM 682 C LYS A 50 -13.176 -1.438 -3.294 1.00 0.00 C ATOM 683 O LYS A 50 -13.152 -0.221 -3.122 1.00 0.00 O ATOM 684 CB LYS A 50 -13.515 -2.768 -5.457 1.00 0.00 C ATOM 685 CG LYS A 50 -14.904 -2.141 -5.325 1.00 0.00 C ATOM 686 CD LYS A 50 -15.674 -2.229 -6.645 1.00 0.00 C ATOM 687 CE LYS A 50 -15.443 -3.580 -7.325 1.00 0.00 C ATOM 688 NZ LYS A 50 -16.605 -3.942 -8.166 1.00 0.00 N ATOM 0 H LYS A 50 -11.663 -4.010 -4.399 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.044 -1.307 -5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.164 -2.671 -6.484 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.571 -3.835 -5.239 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -15.463 -2.649 -4.539 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -14.809 -1.098 -5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -16.739 -2.089 -6.459 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -15.358 -1.425 -7.309 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.543 -3.536 -7.938 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.278 -4.350 -6.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.432 -4.861 -8.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -17.457 -4.004 -7.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -16.744 -3.216 -8.897 1.00 0.00 H new ATOM 701 N PRO A 51 -13.772 -2.279 -2.446 1.00 0.00 N ATOM 702 CA PRO A 51 -14.452 -1.871 -1.235 1.00 0.00 C ATOM 703 C PRO A 51 -13.721 -0.692 -0.612 1.00 0.00 C ATOM 704 O PRO A 51 -14.379 0.208 -0.092 1.00 0.00 O ATOM 705 CB PRO A 51 -14.396 -3.095 -0.323 1.00 0.00 C ATOM 706 CG PRO A 51 -14.537 -4.237 -1.375 1.00 0.00 C ATOM 707 CD PRO A 51 -13.820 -3.715 -2.618 1.00 0.00 C ATOM 0 HA PRO A 51 -15.479 -1.551 -1.412 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.460 -3.156 0.233 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.203 -3.104 0.410 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -14.085 -5.162 -1.017 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -15.584 -4.454 -1.585 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -12.818 -4.136 -2.702 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -14.357 -3.986 -3.527 1.00 0.00 H new ATOM 715 N HIS A 52 -12.397 -0.715 -0.670 1.00 0.00 N ATOM 716 CA HIS A 52 -11.604 0.362 -0.103 1.00 0.00 C ATOM 717 C HIS A 52 -11.389 1.451 -1.156 1.00 0.00 C ATOM 718 O HIS A 52 -11.438 2.640 -0.844 1.00 0.00 O ATOM 719 CB HIS A 52 -10.290 -0.175 0.470 1.00 0.00 C ATOM 720 CG HIS A 52 -10.469 -1.118 1.637 1.00 0.00 C ATOM 721 ND1 HIS A 52 -10.106 -2.452 1.584 1.00 0.00 N ATOM 722 CD2 HIS A 52 -10.975 -0.905 2.885 1.00 0.00 C ATOM 723 CE1 HIS A 52 -10.386 -3.008 2.754 1.00 0.00 C ATOM 724 NE2 HIS A 52 -10.925 -2.047 3.559 1.00 0.00 N ATOM 0 H HIS A 52 -11.854 -1.463 -1.101 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.141 0.813 0.732 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -9.745 -0.691 -0.320 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -9.673 0.666 0.787 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.693 -2.927 0.781 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -11.353 0.034 3.261 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -10.217 -4.040 3.023 1.00 0.00 H new ATOM 732 N ASP A 53 -11.157 1.006 -2.382 1.00 0.00 N ATOM 733 CA ASP A 53 -10.935 1.928 -3.483 1.00 0.00 C ATOM 734 C ASP A 53 -11.604 3.267 -3.164 1.00 0.00 C ATOM 735 O ASP A 53 -12.807 3.428 -3.368 1.00 0.00 O ATOM 736 CB ASP A 53 -11.544 1.393 -4.781 1.00 0.00 C ATOM 737 CG ASP A 53 -11.357 2.295 -6.003 1.00 0.00 C ATOM 738 OD1 ASP A 53 -12.335 2.749 -6.616 1.00 0.00 O ATOM 739 OD2 ASP A 53 -10.130 2.530 -6.324 1.00 0.00 O ATOM 0 H ASP A 53 -11.118 0.019 -2.637 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.859 2.047 -3.611 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.105 0.419 -4.996 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.611 1.234 -4.625 1.00 0.00 H new ATOM 745 N GLY A 54 -10.796 4.193 -2.670 1.00 0.00 N ATOM 746 CA GLY A 54 -11.295 5.512 -2.321 1.00 0.00 C ATOM 747 C GLY A 54 -11.602 5.604 -0.824 1.00 0.00 C ATOM 748 O GLY A 54 -12.714 5.958 -0.436 1.00 0.00 O ATOM 0 H GLY A 54 -9.799 4.056 -2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.557 6.267 -2.592 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.196 5.727 -2.895 1.00 0.00 H new ATOM 752 N LEU A 55 -10.596 5.280 -0.026 1.00 0.00 N ATOM 753 CA LEU A 55 -10.744 5.321 1.419 1.00 0.00 C ATOM 754 C LEU A 55 -9.362 5.438 2.066 1.00 0.00 C ATOM 755 O LEU A 55 -9.048 6.452 2.688 1.00 0.00 O ATOM 756 CB LEU A 55 -11.553 4.119 1.910 1.00 0.00 C ATOM 757 CG LEU A 55 -13.053 4.353 2.101 1.00 0.00 C ATOM 758 CD1 LEU A 55 -13.761 3.062 2.517 1.00 0.00 C ATOM 759 CD2 LEU A 55 -13.309 5.492 3.091 1.00 0.00 C ATOM 0 H LEU A 55 -9.675 4.988 -0.352 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.312 6.202 1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.420 3.302 1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.133 3.787 2.860 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.476 4.658 1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.826 3.256 2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -13.621 2.305 1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.341 2.703 3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.383 5.637 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -12.869 5.241 4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.858 6.410 2.714 1.00 0.00 H new ATOM 771 N LEU A 56 -8.575 4.386 1.898 1.00 0.00 N ATOM 772 CA LEU A 56 -7.234 4.358 2.457 1.00 0.00 C ATOM 773 C LEU A 56 -6.233 4.007 1.355 1.00 0.00 C ATOM 774 O LEU A 56 -6.505 3.152 0.513 1.00 0.00 O ATOM 775 CB LEU A 56 -7.176 3.417 3.662 1.00 0.00 C ATOM 776 CG LEU A 56 -6.966 1.935 3.346 1.00 0.00 C ATOM 777 CD1 LEU A 56 -5.902 1.325 4.261 1.00 0.00 C ATOM 778 CD2 LEU A 56 -8.287 1.167 3.413 1.00 0.00 C ATOM 0 H LEU A 56 -8.840 3.547 1.383 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.959 5.342 2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.369 3.746 4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.104 3.520 4.224 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.598 1.853 2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.772 0.271 4.016 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.957 1.850 4.120 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.218 1.419 5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.109 0.116 3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.708 1.254 4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.987 1.583 2.688 1.00 0.00 H new ATOM 790 N MET A 57 -5.095 4.684 1.395 1.00 0.00 N ATOM 791 CA MET A 57 -4.052 4.455 0.410 1.00 0.00 C ATOM 792 C MET A 57 -3.492 3.036 0.525 1.00 0.00 C ATOM 793 O MET A 57 -3.805 2.316 1.472 1.00 0.00 O ATOM 794 CB MET A 57 -2.924 5.468 0.615 1.00 0.00 C ATOM 795 CG MET A 57 -3.337 6.856 0.122 1.00 0.00 C ATOM 796 SD MET A 57 -4.080 7.782 1.454 1.00 0.00 S ATOM 797 CE MET A 57 -2.641 8.070 2.471 1.00 0.00 C ATOM 0 H MET A 57 -4.872 5.392 2.095 1.00 0.00 H new ATOM 0 HA MET A 57 -4.484 4.576 -0.584 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.662 5.517 1.672 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.033 5.139 0.080 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.466 7.389 -0.261 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.042 6.762 -0.704 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.837 7.722 3.485 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.790 7.528 2.059 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.417 9.137 2.491 1.00 0.00 H new ATOM 807 N CYS A 58 -2.672 2.677 -0.452 1.00 0.00 N ATOM 808 CA CYS A 58 -2.065 1.357 -0.472 1.00 0.00 C ATOM 809 C CYS A 58 -1.201 1.206 0.781 1.00 0.00 C ATOM 810 O CYS A 58 -1.549 0.458 1.694 1.00 0.00 O ATOM 811 CB CYS A 58 -1.260 1.124 -1.752 1.00 0.00 C ATOM 812 SG CYS A 58 -2.085 1.675 -3.289 1.00 0.00 S ATOM 0 H CYS A 58 -2.414 3.277 -1.235 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.845 0.596 -0.468 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.305 1.642 -1.663 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.039 0.060 -1.837 1.00 0.00 H new ATOM 817 N ALA A 59 -0.090 1.929 0.786 1.00 0.00 N ATOM 818 CA ALA A 59 0.827 1.885 1.912 1.00 0.00 C ATOM 819 C ALA A 59 0.026 1.768 3.211 1.00 0.00 C ATOM 820 O ALA A 59 0.289 0.887 4.028 1.00 0.00 O ATOM 821 CB ALA A 59 1.723 3.125 1.890 1.00 0.00 C ATOM 0 H ALA A 59 0.195 2.549 0.028 1.00 0.00 H new ATOM 0 HA ALA A 59 1.477 1.012 1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.411 3.092 2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.291 3.147 0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.106 4.021 1.959 1.00 0.00 H new ATOM 827 N ASP A 60 -0.933 2.669 3.361 1.00 0.00 N ATOM 828 CA ASP A 60 -1.773 2.678 4.547 1.00 0.00 C ATOM 829 C ASP A 60 -2.039 1.237 4.988 1.00 0.00 C ATOM 830 O ASP A 60 -2.171 0.964 6.180 1.00 0.00 O ATOM 831 CB ASP A 60 -3.121 3.342 4.262 1.00 0.00 C ATOM 832 CG ASP A 60 -3.330 4.698 4.939 1.00 0.00 C ATOM 833 OD1 ASP A 60 -4.306 4.900 5.677 1.00 0.00 O ATOM 834 OD2 ASP A 60 -2.427 5.582 4.679 1.00 0.00 O ATOM 0 H ASP A 60 -1.147 3.398 2.681 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.253 3.237 5.325 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.225 3.471 3.185 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.916 2.667 4.580 1.00 0.00 H new ATOM 840 N CYS A 61 -2.112 0.354 4.003 1.00 0.00 N ATOM 841 CA CYS A 61 -2.360 -1.051 4.275 1.00 0.00 C ATOM 842 C CYS A 61 -1.054 -1.820 4.063 1.00 0.00 C ATOM 843 O CYS A 61 -0.612 -2.555 4.944 1.00 0.00 O ATOM 844 CB CYS A 61 -3.495 -1.603 3.409 1.00 0.00 C ATOM 845 SG CYS A 61 -4.972 -1.921 4.441 1.00 0.00 S ATOM 0 H CYS A 61 -2.004 0.585 3.015 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.687 -1.172 5.308 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.739 -0.893 2.619 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.176 -2.524 2.922 1.00 0.00 H new ATOM 850 N HIS A 62 -0.474 -1.624 2.888 1.00 0.00 N ATOM 851 CA HIS A 62 0.772 -2.290 2.548 1.00 0.00 C ATOM 852 C HIS A 62 1.951 -1.473 3.079 1.00 0.00 C ATOM 853 O HIS A 62 2.849 -1.107 2.322 1.00 0.00 O ATOM 854 CB HIS A 62 0.858 -2.547 1.043 1.00 0.00 C ATOM 855 CG HIS A 62 -0.196 -3.492 0.519 1.00 0.00 C ATOM 856 ND1 HIS A 62 -0.281 -4.815 0.917 1.00 0.00 N ATOM 857 CD2 HIS A 62 -1.209 -3.293 -0.373 1.00 0.00 C ATOM 858 CE1 HIS A 62 -1.301 -5.377 0.286 1.00 0.00 C ATOM 859 NE2 HIS A 62 -1.875 -4.432 -0.513 1.00 0.00 N ATOM 0 H HIS A 62 -0.844 -1.013 2.159 1.00 0.00 H new ATOM 0 HA HIS A 62 0.808 -3.269 3.026 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.772 -1.596 0.517 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.843 -2.952 0.810 1.00 0.00 H new ATOM 0 HD1 HIS A 62 0.337 -5.278 1.583 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.431 -2.365 -0.879 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.622 -6.403 0.386 1.00 0.00 H new ATOM 867 N ALA A 63 1.912 -1.211 4.377 1.00 0.00 N ATOM 868 CA ALA A 63 2.966 -0.444 5.018 1.00 0.00 C ATOM 869 C ALA A 63 4.317 -0.842 4.420 1.00 0.00 C ATOM 870 O ALA A 63 4.931 -1.837 4.799 1.00 0.00 O ATOM 871 CB ALA A 63 2.911 -0.665 6.531 1.00 0.00 C ATOM 0 H ALA A 63 1.166 -1.517 5.002 1.00 0.00 H new ATOM 0 HA ALA A 63 2.827 0.622 4.839 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.702 -0.089 7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.943 -0.339 6.911 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.049 -1.724 6.749 1.00 0.00 H new ATOM 877 N PRO A 64 4.770 -0.031 3.462 1.00 0.00 N ATOM 878 CA PRO A 64 6.023 -0.216 2.761 1.00 0.00 C ATOM 879 C PRO A 64 7.179 -0.101 3.745 1.00 0.00 C ATOM 880 O PRO A 64 7.980 -1.031 3.830 1.00 0.00 O ATOM 881 CB PRO A 64 6.066 0.911 1.732 1.00 0.00 C ATOM 882 CG PRO A 64 4.587 1.367 1.570 1.00 0.00 C ATOM 883 CD PRO A 64 4.074 1.147 2.991 1.00 0.00 C ATOM 0 HA PRO A 64 6.104 -1.194 2.287 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.697 1.732 2.072 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.478 0.564 0.784 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.506 2.408 1.256 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.046 0.769 0.836 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.284 2.009 3.624 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.994 0.998 3.002 1.00 0.00 H new ATOM 891 N HIS A 65 7.247 1.015 4.455 1.00 0.00 N ATOM 892 CA HIS A 65 8.312 1.225 5.420 1.00 0.00 C ATOM 893 C HIS A 65 7.959 0.526 6.735 1.00 0.00 C ATOM 894 O HIS A 65 7.927 1.159 7.789 1.00 0.00 O ATOM 895 CB HIS A 65 8.597 2.717 5.600 1.00 0.00 C ATOM 896 CG HIS A 65 9.264 3.363 4.409 1.00 0.00 C ATOM 897 ND1 HIS A 65 10.440 2.884 3.858 1.00 0.00 N ATOM 898 CD2 HIS A 65 8.908 4.452 3.669 1.00 0.00 C ATOM 899 CE1 HIS A 65 10.768 3.659 2.834 1.00 0.00 C ATOM 900 NE2 HIS A 65 9.817 4.630 2.719 1.00 0.00 N ATOM 0 H HIS A 65 6.581 1.784 4.381 1.00 0.00 H new ATOM 0 HA HIS A 65 9.236 0.781 5.049 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.659 3.234 5.803 1.00 0.00 H new ATOM 0 HB3 HIS A 65 9.231 2.852 6.476 1.00 0.00 H new ATOM 0 HD1 HIS A 65 10.965 2.073 4.184 1.00 0.00 H new ATOM 0 HD2 HIS A 65 8.034 5.066 3.829 1.00 0.00 H new ATOM 0 HE1 HIS A 65 11.636 3.542 2.202 1.00 0.00 H new ATOM 908 N GLU A 66 7.702 -0.769 6.629 1.00 0.00 N ATOM 909 CA GLU A 66 7.352 -1.560 7.797 1.00 0.00 C ATOM 910 C GLU A 66 7.159 -3.027 7.405 1.00 0.00 C ATOM 911 O GLU A 66 8.002 -3.870 7.709 1.00 0.00 O ATOM 912 CB GLU A 66 6.100 -1.006 8.479 1.00 0.00 C ATOM 913 CG GLU A 66 6.399 -0.595 9.922 1.00 0.00 C ATOM 914 CD GLU A 66 5.219 0.164 10.532 1.00 0.00 C ATOM 915 OE1 GLU A 66 5.345 1.356 10.851 1.00 0.00 O ATOM 916 OE2 GLU A 66 4.139 -0.528 10.671 1.00 0.00 O ATOM 0 H GLU A 66 7.729 -1.291 5.753 1.00 0.00 H new ATOM 0 HA GLU A 66 8.172 -1.499 8.512 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.728 -0.146 7.922 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.312 -1.759 8.467 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.614 -1.481 10.519 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.291 0.031 9.948 1.00 0.00 H new ATOM 924 N ALA A 67 6.045 -3.286 6.737 1.00 0.00 N ATOM 925 CA ALA A 67 5.730 -4.636 6.302 1.00 0.00 C ATOM 926 C ALA A 67 6.850 -5.148 5.394 1.00 0.00 C ATOM 927 O ALA A 67 7.684 -4.371 4.932 1.00 0.00 O ATOM 928 CB ALA A 67 4.367 -4.645 5.607 1.00 0.00 C ATOM 0 H ALA A 67 5.349 -2.584 6.486 1.00 0.00 H new ATOM 0 HA ALA A 67 5.664 -5.309 7.157 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.132 -5.658 5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.602 -4.300 6.302 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.395 -3.983 4.742 1.00 0.00 H new ATOM 934 N LYS A 68 6.833 -6.453 5.165 1.00 0.00 N ATOM 935 CA LYS A 68 7.837 -7.078 4.320 1.00 0.00 C ATOM 936 C LYS A 68 7.143 -7.936 3.260 1.00 0.00 C ATOM 937 O LYS A 68 6.169 -8.626 3.555 1.00 0.00 O ATOM 938 CB LYS A 68 8.848 -7.850 5.171 1.00 0.00 C ATOM 939 CG LYS A 68 8.268 -8.178 6.548 1.00 0.00 C ATOM 940 CD LYS A 68 9.259 -8.994 7.380 1.00 0.00 C ATOM 941 CE LYS A 68 9.752 -8.193 8.587 1.00 0.00 C ATOM 942 NZ LYS A 68 11.147 -7.746 8.379 1.00 0.00 N ATOM 0 H LYS A 68 6.140 -7.095 5.550 1.00 0.00 H new ATOM 0 HA LYS A 68 8.414 -6.320 3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.129 -8.772 4.662 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.757 -7.260 5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.022 -7.255 7.072 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.339 -8.736 6.432 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.783 -9.914 7.719 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.108 -9.284 6.760 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.107 -7.329 8.745 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.691 -8.805 9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.786 -8.315 8.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.404 -7.865 7.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.233 -6.743 8.641 1.00 0.00 H new ATOM 955 N VAL A 69 7.673 -7.864 2.047 1.00 0.00 N ATOM 956 CA VAL A 69 7.116 -8.625 0.942 1.00 0.00 C ATOM 957 C VAL A 69 6.636 -9.984 1.454 1.00 0.00 C ATOM 958 O VAL A 69 7.339 -10.649 2.214 1.00 0.00 O ATOM 959 CB VAL A 69 8.146 -8.740 -0.184 1.00 0.00 C ATOM 960 CG1 VAL A 69 7.894 -9.989 -1.031 1.00 0.00 C ATOM 961 CG2 VAL A 69 8.153 -7.481 -1.053 1.00 0.00 C ATOM 0 H VAL A 69 8.481 -7.291 1.806 1.00 0.00 H new ATOM 0 HA VAL A 69 6.250 -8.112 0.523 1.00 0.00 H new ATOM 0 HB VAL A 69 9.131 -8.837 0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.639 -10.047 -1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.964 -10.876 -0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.899 -9.935 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.894 -7.590 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.167 -7.339 -1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.403 -6.616 -0.439 1.00 0.00 H new ATOM 971 N GLY A 70 5.442 -10.356 1.019 1.00 0.00 N ATOM 972 CA GLY A 70 4.859 -11.624 1.424 1.00 0.00 C ATOM 973 C GLY A 70 4.149 -11.495 2.773 1.00 0.00 C ATOM 974 O GLY A 70 4.215 -12.400 3.603 1.00 0.00 O ATOM 0 H GLY A 70 4.862 -9.802 0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.151 -11.961 0.667 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.639 -12.382 1.491 1.00 0.00 H new ATOM 978 N GLU A 71 3.485 -10.362 2.950 1.00 0.00 N ATOM 979 CA GLU A 71 2.763 -10.102 4.184 1.00 0.00 C ATOM 980 C GLU A 71 1.276 -9.894 3.895 1.00 0.00 C ATOM 981 O GLU A 71 0.915 -9.229 2.925 1.00 0.00 O ATOM 982 CB GLU A 71 3.353 -8.898 4.921 1.00 0.00 C ATOM 983 CG GLU A 71 3.017 -7.593 4.196 1.00 0.00 C ATOM 984 CD GLU A 71 3.876 -7.427 2.941 1.00 0.00 C ATOM 985 OE1 GLU A 71 3.603 -8.064 1.913 1.00 0.00 O ATOM 986 OE2 GLU A 71 4.859 -6.599 3.059 1.00 0.00 O ATOM 0 H GLU A 71 3.432 -9.613 2.259 1.00 0.00 H new ATOM 0 HA GLU A 71 2.868 -10.971 4.834 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.964 -8.864 5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.435 -9.008 4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.962 -7.586 3.923 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.178 -6.748 4.866 1.00 0.00 H new ATOM 994 N LYS A 72 0.451 -10.474 4.755 1.00 0.00 N ATOM 995 CA LYS A 72 -0.989 -10.359 4.604 1.00 0.00 C ATOM 996 C LYS A 72 -1.561 -9.575 5.787 1.00 0.00 C ATOM 997 O LYS A 72 -1.868 -10.121 6.844 1.00 0.00 O ATOM 998 CB LYS A 72 -1.620 -11.741 4.420 1.00 0.00 C ATOM 999 CG LYS A 72 -1.430 -12.244 2.987 1.00 0.00 C ATOM 1000 CD LYS A 72 -2.727 -12.844 2.440 1.00 0.00 C ATOM 1001 CE LYS A 72 -2.564 -14.339 2.158 1.00 0.00 C ATOM 1002 NZ LYS A 72 -3.481 -14.766 1.078 1.00 0.00 N ATOM 0 H LYS A 72 0.753 -11.025 5.559 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.234 -9.799 3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.171 -12.446 5.119 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.683 -11.693 4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.108 -11.421 2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.640 -12.994 2.963 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.533 -12.692 3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.013 -12.327 1.524 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.533 -14.551 1.873 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.768 -14.910 3.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.357 -15.783 0.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.464 -14.582 1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.267 -14.234 0.210 1.00 0.00 H new ATOM 1015 N PRO A 73 -1.700 -8.264 5.580 1.00 0.00 N ATOM 1016 CA PRO A 73 -2.221 -7.334 6.559 1.00 0.00 C ATOM 1017 C PRO A 73 -3.368 -7.984 7.319 1.00 0.00 C ATOM 1018 O PRO A 73 -3.971 -8.920 6.798 1.00 0.00 O ATOM 1019 CB PRO A 73 -2.712 -6.140 5.742 1.00 0.00 C ATOM 1020 CG PRO A 73 -1.657 -6.116 4.605 1.00 0.00 C ATOM 1021 CD PRO A 73 -1.349 -7.589 4.348 1.00 0.00 C ATOM 0 HA PRO A 73 -1.478 -7.035 7.298 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.724 -6.285 5.364 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.717 -5.217 6.321 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.046 -5.629 3.711 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.763 -5.568 4.903 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.928 -7.973 3.508 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.297 -7.736 4.103 1.00 0.00 H new ATOM 1029 N THR A 74 -3.643 -7.487 8.517 1.00 0.00 N ATOM 1030 CA THR A 74 -4.718 -8.036 9.326 1.00 0.00 C ATOM 1031 C THR A 74 -5.854 -7.021 9.464 1.00 0.00 C ATOM 1032 O THR A 74 -5.620 -5.868 9.822 1.00 0.00 O ATOM 1033 CB THR A 74 -4.125 -8.471 10.667 1.00 0.00 C ATOM 1034 OG1 THR A 74 -3.456 -7.306 11.145 1.00 0.00 O ATOM 1035 CG2 THR A 74 -3.007 -9.503 10.507 1.00 0.00 C ATOM 0 H THR A 74 -3.140 -6.710 8.946 1.00 0.00 H new ATOM 0 HA THR A 74 -5.163 -8.911 8.852 1.00 0.00 H new ATOM 0 HB THR A 74 -4.914 -8.886 11.295 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.977 -6.905 11.872 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.622 -9.777 11.489 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.399 -10.391 10.011 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.202 -9.078 9.907 1.00 0.00 H new ATOM 1043 N CYS A 75 -7.060 -7.487 9.172 1.00 0.00 N ATOM 1044 CA CYS A 75 -8.233 -6.634 9.259 1.00 0.00 C ATOM 1045 C CYS A 75 -8.438 -6.247 10.725 1.00 0.00 C ATOM 1046 O CYS A 75 -8.738 -5.094 11.031 1.00 0.00 O ATOM 1047 CB CYS A 75 -9.470 -7.312 8.669 1.00 0.00 C ATOM 1048 SG CYS A 75 -9.148 -8.352 7.198 1.00 0.00 S ATOM 0 H CYS A 75 -7.250 -8.444 8.875 1.00 0.00 H new ATOM 0 HA CYS A 75 -8.076 -5.733 8.665 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -9.930 -7.930 9.440 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -10.195 -6.544 8.401 1.00 0.00 H new ATOM 1053 N ASP A 76 -8.267 -7.234 11.594 1.00 0.00 N ATOM 1054 CA ASP A 76 -8.430 -7.011 13.020 1.00 0.00 C ATOM 1055 C ASP A 76 -7.752 -5.695 13.407 1.00 0.00 C ATOM 1056 O ASP A 76 -8.134 -5.062 14.391 1.00 0.00 O ATOM 1057 CB ASP A 76 -7.779 -8.134 13.830 1.00 0.00 C ATOM 1058 CG ASP A 76 -8.706 -9.301 14.179 1.00 0.00 C ATOM 1059 OD1 ASP A 76 -9.208 -9.403 15.308 1.00 0.00 O ATOM 1060 OD2 ASP A 76 -8.909 -10.140 13.220 1.00 0.00 O ATOM 0 H ASP A 76 -8.017 -8.189 11.337 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.498 -6.981 13.237 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.929 -8.521 13.268 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.385 -7.713 14.755 1.00 0.00 H new ATOM 1066 N THR A 77 -6.759 -5.322 12.614 1.00 0.00 N ATOM 1067 CA THR A 77 -6.025 -4.093 12.861 1.00 0.00 C ATOM 1068 C THR A 77 -6.963 -2.887 12.784 1.00 0.00 C ATOM 1069 O THR A 77 -6.875 -1.974 13.604 1.00 0.00 O ATOM 1070 CB THR A 77 -4.865 -4.026 11.865 1.00 0.00 C ATOM 1071 OG1 THR A 77 -4.130 -5.222 12.107 1.00 0.00 O ATOM 1072 CG2 THR A 77 -3.875 -2.907 12.193 1.00 0.00 C ATOM 0 H THR A 77 -6.445 -5.850 11.799 1.00 0.00 H new ATOM 0 HA THR A 77 -5.608 -4.077 13.868 1.00 0.00 H new ATOM 0 HB THR A 77 -5.259 -3.878 10.859 1.00 0.00 H new ATOM 0 HG1 THR A 77 -3.713 -5.524 11.273 1.00 0.00 H new ATOM 0 HG21 THR A 77 -3.072 -2.904 11.456 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.391 -1.947 12.172 1.00 0.00 H new ATOM 0 HG23 THR A 77 -3.456 -3.072 13.185 1.00 0.00 H new ATOM 1080 N CYS A 78 -7.839 -2.921 11.791 1.00 0.00 N ATOM 1081 CA CYS A 78 -8.792 -1.842 11.596 1.00 0.00 C ATOM 1082 C CYS A 78 -10.187 -2.366 11.941 1.00 0.00 C ATOM 1083 O CYS A 78 -10.901 -1.762 12.741 1.00 0.00 O ATOM 1084 CB CYS A 78 -8.729 -1.282 10.173 1.00 0.00 C ATOM 1085 SG CYS A 78 -7.326 -0.116 10.022 1.00 0.00 S ATOM 0 H CYS A 78 -7.909 -3.679 11.112 1.00 0.00 H new ATOM 0 HA CYS A 78 -8.544 -1.010 12.255 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -8.615 -2.096 9.457 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -9.663 -0.774 9.931 1.00 0.00 H new ATOM 1090 N HIS A 79 -10.535 -3.484 11.321 1.00 0.00 N ATOM 1091 CA HIS A 79 -11.833 -4.096 11.553 1.00 0.00 C ATOM 1092 C HIS A 79 -11.712 -5.155 12.650 1.00 0.00 C ATOM 1093 O HIS A 79 -11.375 -6.306 12.373 1.00 0.00 O ATOM 1094 CB HIS A 79 -12.411 -4.654 10.251 1.00 0.00 C ATOM 1095 CG HIS A 79 -12.376 -3.681 9.097 1.00 0.00 C ATOM 1096 ND1 HIS A 79 -12.911 -2.407 9.174 1.00 0.00 N ATOM 1097 CD2 HIS A 79 -11.863 -3.808 7.839 1.00 0.00 C ATOM 1098 CE1 HIS A 79 -12.724 -1.804 8.009 1.00 0.00 C ATOM 1099 NE2 HIS A 79 -12.076 -2.674 7.183 1.00 0.00 N ATOM 0 H HIS A 79 -9.941 -3.982 10.658 1.00 0.00 H new ATOM 0 HA HIS A 79 -12.538 -3.341 11.901 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -11.856 -5.550 9.974 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -13.443 -4.959 10.425 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -13.371 -2.001 9.989 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -11.368 -4.683 7.444 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -13.031 -0.800 7.758 1.00 0.00 H new ATOM 1107 N ASP A 80 -11.993 -4.730 13.873 1.00 0.00 N ATOM 1108 CA ASP A 80 -11.920 -5.628 15.013 1.00 0.00 C ATOM 1109 C ASP A 80 -13.285 -6.285 15.228 1.00 0.00 C ATOM 1110 O ASP A 80 -13.687 -6.530 16.364 1.00 0.00 O ATOM 1111 CB ASP A 80 -11.554 -4.868 16.290 1.00 0.00 C ATOM 1112 CG ASP A 80 -10.524 -5.562 17.183 1.00 0.00 C ATOM 1113 OD1 ASP A 80 -9.321 -5.572 16.882 1.00 0.00 O ATOM 1114 OD2 ASP A 80 -11.007 -6.118 18.242 1.00 0.00 O ATOM 0 H ASP A 80 -12.272 -3.775 14.099 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.154 -6.375 14.806 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.170 -3.886 16.013 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.462 -4.703 16.869 1.00 0.00 H new ATOM 1120 N ASP A 81 -13.959 -6.550 14.119 1.00 0.00 N ATOM 1121 CA ASP A 81 -15.270 -7.174 14.172 1.00 0.00 C ATOM 1122 C ASP A 81 -15.165 -8.615 13.670 1.00 0.00 C ATOM 1123 O ASP A 81 -16.170 -9.224 13.304 1.00 0.00 O ATOM 1124 CB ASP A 81 -16.268 -6.434 13.278 1.00 0.00 C ATOM 1125 CG ASP A 81 -15.823 -6.248 11.827 1.00 0.00 C ATOM 1126 OD1 ASP A 81 -14.929 -6.955 11.337 1.00 0.00 O ATOM 1127 OD2 ASP A 81 -16.441 -5.318 11.181 1.00 0.00 O ATOM 0 H ASP A 81 -13.622 -6.344 13.179 1.00 0.00 H new ATOM 0 HA ASP A 81 -15.617 -7.142 15.205 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -17.212 -6.978 13.285 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -16.462 -5.453 13.711 1.00 0.00 H new ATOM 1133 N GLY A 82 -13.940 -9.120 13.669 1.00 0.00 N ATOM 1134 CA GLY A 82 -13.691 -10.478 13.218 1.00 0.00 C ATOM 1135 C GLY A 82 -13.332 -10.506 11.731 1.00 0.00 C ATOM 1136 O GLY A 82 -12.880 -11.528 11.217 1.00 0.00 O ATOM 0 H GLY A 82 -13.109 -8.613 13.974 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.879 -10.915 13.800 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.575 -11.091 13.394 1.00 0.00 H new ATOM 1140 N ARG A 83 -13.547 -9.371 11.082 1.00 0.00 N ATOM 1141 CA ARG A 83 -13.252 -9.252 9.665 1.00 0.00 C ATOM 1142 C ARG A 83 -12.012 -10.075 9.309 1.00 0.00 C ATOM 1143 O ARG A 83 -10.972 -9.946 9.953 1.00 0.00 O ATOM 1144 CB ARG A 83 -13.016 -7.792 9.272 1.00 0.00 C ATOM 1145 CG ARG A 83 -14.029 -7.336 8.220 1.00 0.00 C ATOM 1146 CD ARG A 83 -15.451 -7.732 8.621 1.00 0.00 C ATOM 1147 NE ARG A 83 -16.324 -6.537 8.639 1.00 0.00 N ATOM 1148 CZ ARG A 83 -16.961 -6.049 7.554 1.00 0.00 C ATOM 1149 NH1 ARG A 83 -16.829 -6.651 6.353 1.00 0.00 N ATOM 1150 NH2 ARG A 83 -17.716 -4.974 7.685 1.00 0.00 N ATOM 0 H ARG A 83 -13.922 -8.526 11.512 1.00 0.00 H new ATOM 0 HA ARG A 83 -14.114 -9.630 9.115 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.093 -7.157 10.155 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -12.005 -7.676 8.882 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -13.970 -6.255 8.097 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.782 -7.780 7.256 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.843 -8.469 7.920 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.443 -8.201 9.605 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.452 -6.052 9.527 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -16.244 -7.482 6.260 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -17.314 -6.275 5.538 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -17.811 -4.525 8.596 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -18.204 -4.592 6.875 1.00 0.00 H new ATOM 1160 N THR A 84 -12.164 -10.903 8.286 1.00 0.00 N ATOM 1161 CA THR A 84 -11.070 -11.747 7.838 1.00 0.00 C ATOM 1162 C THR A 84 -10.812 -11.537 6.344 1.00 0.00 C ATOM 1163 O THR A 84 -11.699 -11.101 5.613 1.00 0.00 O ATOM 1164 CB THR A 84 -11.411 -13.194 8.198 1.00 0.00 C ATOM 1165 OG1 THR A 84 -12.770 -13.341 7.795 1.00 0.00 O ATOM 1166 CG2 THR A 84 -11.443 -13.429 9.710 1.00 0.00 C ATOM 0 H THR A 84 -13.028 -11.007 7.755 1.00 0.00 H new ATOM 0 HA THR A 84 -10.137 -11.484 8.337 1.00 0.00 H new ATOM 0 HB THR A 84 -10.681 -13.863 7.742 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.072 -14.252 7.991 1.00 0.00 H new ATOM 0 HG21 THR A 84 -11.690 -14.472 9.911 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.466 -13.199 10.135 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.196 -12.784 10.163 1.00 0.00 H new ATOM 1174 N ALA A 85 -9.593 -11.857 5.936 1.00 0.00 N ATOM 1175 CA ALA A 85 -9.207 -11.709 4.543 1.00 0.00 C ATOM 1176 C ALA A 85 -9.894 -12.793 3.711 1.00 0.00 C ATOM 1177 O ALA A 85 -10.200 -13.871 4.219 1.00 0.00 O ATOM 1178 CB ALA A 85 -7.682 -11.764 4.428 1.00 0.00 C ATOM 0 H ALA A 85 -8.859 -12.218 6.546 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.529 -10.742 4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.392 -11.653 3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.244 -10.956 5.014 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.323 -12.722 4.805 1.00 0.00 H new ATOM 1184 N LYS A 86 -10.115 -12.470 2.445 1.00 0.00 N ATOM 1185 CA LYS A 86 -10.761 -13.403 1.536 1.00 0.00 C ATOM 1186 C LYS A 86 -9.717 -13.979 0.577 1.00 0.00 C ATOM 1187 O LYS A 86 -8.692 -14.502 1.010 1.00 0.00 O ATOM 1188 CB LYS A 86 -11.942 -12.734 0.831 1.00 0.00 C ATOM 1189 CG LYS A 86 -12.926 -13.778 0.299 1.00 0.00 C ATOM 1190 CD LYS A 86 -13.687 -13.244 -0.916 1.00 0.00 C ATOM 1191 CE LYS A 86 -14.338 -14.386 -1.700 1.00 0.00 C ATOM 1192 NZ LYS A 86 -15.712 -14.634 -1.208 1.00 0.00 N ATOM 0 H LYS A 86 -9.858 -11.576 2.027 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.184 -14.242 2.088 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.454 -12.067 1.525 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.578 -12.119 0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.387 -14.685 0.025 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.632 -14.051 1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.452 -12.540 -0.590 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.004 -12.695 -1.565 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.364 -14.138 -2.761 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.740 -15.292 -1.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.140 -15.412 -1.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.679 -14.891 -0.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.284 -13.774 -1.327 1.00 0.00 H new TER 1205 LYS A 86 HETATM 1206 FE HEM A 218 9.793 5.956 1.381 1.00 0.00 FE HETATM 1207 CHA HEM A 218 7.819 7.881 3.579 1.00 0.00 C HETATM 1208 CHB HEM A 218 12.604 7.337 2.855 1.00 0.00 C HETATM 1209 CHC HEM A 218 11.731 4.168 -0.740 1.00 0.00 C HETATM 1210 CHD HEM A 218 6.909 4.800 -0.082 1.00 0.00 C HETATM 1211 NA HEM A 218 10.127 7.365 2.878 1.00 0.00 N HETATM 1212 C1A HEM A 218 9.201 7.969 3.711 1.00 0.00 C HETATM 1213 C2A HEM A 218 9.871 8.714 4.750 1.00 0.00 C HETATM 1214 C3A HEM A 218 11.198 8.565 4.552 1.00 0.00 C HETATM 1215 C4A HEM A 218 11.362 7.727 3.388 1.00 0.00 C HETATM 1216 CMA HEM A 218 12.324 9.142 5.360 1.00 0.00 C HETATM 1217 CAA HEM A 218 9.180 9.495 5.830 1.00 0.00 C HETATM 1218 CBA HEM A 218 10.072 9.828 7.022 1.00 0.00 C HETATM 1219 CGA HEM A 218 9.248 10.010 8.289 1.00 0.00 C HETATM 1220 O1A HEM A 218 9.106 11.178 8.711 1.00 0.00 O HETATM 1221 O2A HEM A 218 8.775 8.977 8.811 1.00 0.00 O HETATM 1222 NB HEM A 218 11.753 5.845 1.083 1.00 0.00 N HETATM 1223 C1B HEM A 218 12.769 6.386 1.852 1.00 0.00 C HETATM 1224 C2B HEM A 218 14.042 5.821 1.470 1.00 0.00 C HETATM 1225 C3B HEM A 218 13.803 4.943 0.474 1.00 0.00 C HETATM 1226 C4B HEM A 218 12.380 4.954 0.229 1.00 0.00 C HETATM 1227 CMB HEM A 218 15.361 6.176 2.093 1.00 0.00 C HETATM 1228 CAB HEM A 218 14.795 4.095 -0.267 1.00 0.00 C HETATM 1229 CBB HEM A 218 15.531 3.087 0.612 1.00 0.00 C HETATM 1230 NC HEM A 218 9.383 4.677 -0.047 1.00 0.00 N HETATM 1231 C1C HEM A 218 10.309 4.100 -0.898 1.00 0.00 C HETATM 1232 C2C HEM A 218 9.641 3.460 -2.006 1.00 0.00 C HETATM 1233 C3C HEM A 218 8.315 3.645 -1.830 1.00 0.00 C HETATM 1234 C4C HEM A 218 8.150 4.403 -0.612 1.00 0.00 C HETATM 1235 CMC HEM A 218 10.333 2.734 -3.123 1.00 0.00 C HETATM 1236 CAC HEM A 218 7.192 3.173 -2.707 1.00 0.00 C HETATM 1237 CBC HEM A 218 7.280 1.698 -3.088 1.00 0.00 C HETATM 1238 ND HEM A 218 7.781 6.287 1.683 1.00 0.00 N HETATM 1239 C1D HEM A 218 6.752 5.689 0.976 1.00 0.00 C HETATM 1240 C2D HEM A 218 5.474 6.118 1.493 1.00 0.00 C HETATM 1241 C3D HEM A 218 5.722 6.972 2.508 1.00 0.00 C HETATM 1242 C4D HEM A 218 7.157 7.081 2.630 1.00 0.00 C HETATM 1243 CMD HEM A 218 4.141 5.670 0.968 1.00 0.00 C HETATM 1244 CAD HEM A 218 4.730 7.694 3.373 1.00 0.00 C HETATM 1245 CBD HEM A 218 3.349 7.047 3.405 1.00 0.00 C HETATM 1246 CGD HEM A 218 2.563 7.492 4.630 1.00 0.00 C HETATM 1247 O1D HEM A 218 3.223 7.911 5.606 1.00 0.00 O HETATM 1248 O2D HEM A 218 1.317 7.406 4.568 1.00 0.00 O HETATM 0 HMA1 HEM A 218 12.010 10.090 5.797 1.00 0.00 H new HETATM 0 HMA2 HEM A 218 13.187 9.308 4.715 1.00 0.00 H new HETATM 0 HMA3 HEM A 218 12.594 8.448 6.156 1.00 0.00 H new HETATM 0 HMB1 HEM A 218 15.332 7.208 2.443 1.00 0.00 H new HETATM 0 HMB2 HEM A 218 16.154 6.066 1.354 1.00 0.00 H new HETATM 0 HMB3 HEM A 218 15.556 5.513 2.936 1.00 0.00 H new HETATM 0 HMC1 HEM A 218 11.315 3.176 -3.291 1.00 0.00 H new HETATM 0 HMC2 HEM A 218 9.738 2.815 -4.033 1.00 0.00 H new HETATM 0 HMC3 HEM A 218 10.449 1.683 -2.857 1.00 0.00 H new HETATM 0 HMD1 HEM A 218 4.225 5.447 -0.096 1.00 0.00 H new HETATM 0 HMD2 HEM A 218 3.407 6.462 1.115 1.00 0.00 H new HETATM 0 HMD3 HEM A 218 3.822 4.775 1.502 1.00 0.00 H new HETATM 0 HBB1 HEM A 218 16.274 2.421 0.173 1.00 0.00 H new HETATM 0 HBB2 HEM A 218 15.314 3.033 1.679 1.00 0.00 H new HETATM 0 HBC1 HEM A 218 6.514 1.252 -3.723 1.00 0.00 H new HETATM 0 HBC2 HEM A 218 8.109 1.090 -2.725 1.00 0.00 H new HETATM 0 HBA1 HEM A 218 10.634 10.739 6.816 1.00 0.00 H new HETATM 0 HBA2 HEM A 218 10.800 9.030 7.169 1.00 0.00 H new HETATM 0 HAA1 HEM A 218 8.319 8.926 6.181 1.00 0.00 H new HETATM 0 HAA2 HEM A 218 8.797 10.423 5.405 1.00 0.00 H new HETATM 0 HBD1 HEM A 218 3.452 5.962 3.410 1.00 0.00 H new HETATM 0 HBD2 HEM A 218 2.800 7.311 2.501 1.00 0.00 H new HETATM 0 HAD1 HEM A 218 4.631 8.720 3.017 1.00 0.00 H new HETATM 0 HAD2 HEM A 218 5.120 7.746 4.390 1.00 0.00 H new HETATM 0 HHA HEM A 218 7.212 8.468 4.252 1.00 0.00 H new HETATM 0 HHB HEM A 218 13.491 7.808 3.252 1.00 0.00 H new HETATM 0 HHC HEM A 218 12.343 3.579 -1.407 1.00 0.00 H new HETATM 0 HHD HEM A 218 6.016 4.386 -0.527 1.00 0.00 H new HETATM 0 HAB HEM A 218 14.974 4.190 -1.338 1.00 0.00 H new HETATM 0 HAC HEM A 218 6.386 3.826 -3.042 1.00 0.00 H new HETATM 1249 FE HEM A 238 4.434 -2.244 -6.796 1.00 0.00 FE HETATM 1250 CHA HEM A 238 4.687 -5.762 -6.541 1.00 0.00 C HETATM 1251 CHB HEM A 238 2.682 -2.367 -3.681 1.00 0.00 C HETATM 1252 CHC HEM A 238 4.174 1.136 -6.719 1.00 0.00 C HETATM 1253 CHD HEM A 238 6.146 -2.296 -9.636 1.00 0.00 C HETATM 1254 NA HEM A 238 3.816 -3.765 -5.383 1.00 0.00 N HETATM 1255 C1A HEM A 238 4.014 -5.130 -5.500 1.00 0.00 C HETATM 1256 C2A HEM A 238 3.420 -5.821 -4.380 1.00 0.00 C HETATM 1257 C3A HEM A 238 2.863 -4.882 -3.586 1.00 0.00 C HETATM 1258 C4A HEM A 238 3.107 -3.601 -4.206 1.00 0.00 C HETATM 1259 CMA HEM A 238 2.122 -5.084 -2.296 1.00 0.00 C HETATM 1260 CAA HEM A 238 3.441 -7.308 -4.178 1.00 0.00 C HETATM 1261 CBA HEM A 238 3.155 -7.744 -2.744 1.00 0.00 C HETATM 1262 CGA HEM A 238 3.820 -9.077 -2.434 1.00 0.00 C HETATM 1263 O1A HEM A 238 5.069 -9.114 -2.484 1.00 0.00 O HETATM 1264 O2A HEM A 238 3.068 -10.035 -2.152 1.00 0.00 O HETATM 1265 NB HEM A 238 3.515 -0.913 -5.492 1.00 0.00 N HETATM 1266 C1B HEM A 238 3.003 -1.127 -4.224 1.00 0.00 C HETATM 1267 C2B HEM A 238 2.845 0.129 -3.529 1.00 0.00 C HETATM 1268 C3B HEM A 238 3.257 1.102 -4.368 1.00 0.00 C HETATM 1269 C4B HEM A 238 3.675 0.458 -5.591 1.00 0.00 C HETATM 1270 CMB HEM A 238 2.315 0.276 -2.132 1.00 0.00 C HETATM 1271 CAB HEM A 238 3.293 2.582 -4.121 1.00 0.00 C HETATM 1272 CBB HEM A 238 3.793 2.967 -2.731 1.00 0.00 C HETATM 1273 NC HEM A 238 5.014 -0.882 -7.946 1.00 0.00 N HETATM 1274 C1C HEM A 238 4.680 0.461 -7.913 1.00 0.00 C HETATM 1275 C2C HEM A 238 5.101 1.112 -9.131 1.00 0.00 C HETATM 1276 C3C HEM A 238 5.687 0.171 -9.902 1.00 0.00 C HETATM 1277 C4C HEM A 238 5.635 -1.072 -9.168 1.00 0.00 C HETATM 1278 CMC HEM A 238 4.902 2.567 -9.440 1.00 0.00 C HETATM 1279 CAC HEM A 238 6.291 0.338 -11.266 1.00 0.00 C HETATM 1280 CBC HEM A 238 7.176 1.574 -11.405 1.00 0.00 C HETATM 1281 ND HEM A 238 5.257 -3.728 -7.834 1.00 0.00 N HETATM 1282 C1D HEM A 238 5.904 -3.530 -9.042 1.00 0.00 C HETATM 1283 C2D HEM A 238 6.300 -4.797 -9.611 1.00 0.00 C HETATM 1284 C3D HEM A 238 5.897 -5.760 -8.755 1.00 0.00 C HETATM 1285 C4D HEM A 238 5.247 -5.099 -7.648 1.00 0.00 C HETATM 1286 CMD HEM A 238 7.024 -4.963 -10.915 1.00 0.00 C HETATM 1287 CAD HEM A 238 6.069 -7.245 -8.888 1.00 0.00 C HETATM 1288 CBD HEM A 238 4.791 -7.987 -9.265 1.00 0.00 C HETATM 1289 CGD HEM A 238 4.128 -7.354 -10.480 1.00 0.00 C HETATM 1290 O1D HEM A 238 3.863 -6.135 -10.411 1.00 0.00 O HETATM 1291 O2D HEM A 238 3.899 -8.102 -11.455 1.00 0.00 O HETATM 0 HMA1 HEM A 238 1.624 -6.054 -2.310 1.00 0.00 H new HETATM 0 HMA2 HEM A 238 1.378 -4.296 -2.176 1.00 0.00 H new HETATM 0 HMA3 HEM A 238 2.825 -5.049 -1.463 1.00 0.00 H new HETATM 0 HMB1 HEM A 238 1.609 -0.528 -1.924 1.00 0.00 H new HETATM 0 HMB2 HEM A 238 1.809 1.237 -2.034 1.00 0.00 H new HETATM 0 HMB3 HEM A 238 3.141 0.227 -1.422 1.00 0.00 H new HETATM 0 HMC1 HEM A 238 5.707 2.915 -10.088 1.00 0.00 H new HETATM 0 HMC2 HEM A 238 4.909 3.140 -8.513 1.00 0.00 H new HETATM 0 HMC3 HEM A 238 3.945 2.704 -9.944 1.00 0.00 H new HETATM 0 HMD1 HEM A 238 7.648 -5.856 -10.874 1.00 0.00 H new HETATM 0 HMD2 HEM A 238 7.651 -4.090 -11.097 1.00 0.00 H new HETATM 0 HMD3 HEM A 238 6.300 -5.064 -11.723 1.00 0.00 H new HETATM 0 HBB1 HEM A 238 3.859 4.017 -2.447 1.00 0.00 H new HETATM 0 HBB2 HEM A 238 4.084 2.192 -2.022 1.00 0.00 H new HETATM 0 HBC1 HEM A 238 7.664 1.791 -12.355 1.00 0.00 H new HETATM 0 HBC2 HEM A 238 7.320 2.240 -10.554 1.00 0.00 H new HETATM 0 HBA1 HEM A 238 2.079 -7.827 -2.594 1.00 0.00 H new HETATM 0 HBA2 HEM A 238 3.516 -6.984 -2.051 1.00 0.00 H new HETATM 0 HAA1 HEM A 238 4.417 -7.691 -4.475 1.00 0.00 H new HETATM 0 HAA2 HEM A 238 2.705 -7.765 -4.839 1.00 0.00 H new HETATM 0 HBD1 HEM A 238 4.099 -7.977 -8.423 1.00 0.00 H new HETATM 0 HBD2 HEM A 238 5.022 -9.031 -9.476 1.00 0.00 H new HETATM 0 HAD1 HEM A 238 6.443 -7.643 -7.945 1.00 0.00 H new HETATM 0 HAD2 HEM A 238 6.829 -7.446 -9.643 1.00 0.00 H new HETATM 0 HHA HEM A 238 4.786 -6.836 -6.496 1.00 0.00 H new HETATM 0 HHB HEM A 238 2.064 -2.383 -2.795 1.00 0.00 H new HETATM 0 HHC HEM A 238 4.184 2.216 -6.701 1.00 0.00 H new HETATM 0 HHD HEM A 238 6.769 -2.276 -10.518 1.00 0.00 H new HETATM 0 HAB HEM A 238 2.989 3.316 -4.867 1.00 0.00 H new HETATM 0 HAC HEM A 238 6.114 -0.361 -12.084 1.00 0.00 H new HETATM 1292 FE HEM A 261 -3.394 -4.709 -1.556 1.00 0.00 FE HETATM 1293 CHA HEM A 261 -2.919 -8.075 -1.701 1.00 0.00 C HETATM 1294 CHB HEM A 261 -1.871 -4.202 -4.461 1.00 0.00 C HETATM 1295 CHC HEM A 261 -4.303 -1.334 -1.364 1.00 0.00 C HETATM 1296 CHD HEM A 261 -4.926 -5.161 1.646 1.00 0.00 C HETATM 1297 NA HEM A 261 -2.607 -5.892 -2.806 1.00 0.00 N HETATM 1298 C1A HEM A 261 -2.429 -7.262 -2.717 1.00 0.00 C HETATM 1299 C2A HEM A 261 -1.655 -7.740 -3.838 1.00 0.00 C HETATM 1300 C3A HEM A 261 -1.363 -6.669 -4.605 1.00 0.00 C HETATM 1301 C4A HEM A 261 -1.953 -5.516 -3.967 1.00 0.00 C HETATM 1302 CMA HEM A 261 -0.578 -6.635 -5.884 1.00 0.00 C HETATM 1303 CAA HEM A 261 -1.270 -9.173 -4.066 1.00 0.00 C HETATM 1304 CBA HEM A 261 -2.393 -10.033 -4.639 1.00 0.00 C HETATM 1305 CGA HEM A 261 -1.995 -10.630 -5.982 1.00 0.00 C HETATM 1306 O1A HEM A 261 -2.244 -11.842 -6.161 1.00 0.00 O HETATM 1307 O2A HEM A 261 -1.450 -9.863 -6.805 1.00 0.00 O HETATM 1308 NB HEM A 261 -3.153 -3.104 -2.661 1.00 0.00 N HETATM 1309 C1B HEM A 261 -2.468 -3.096 -3.863 1.00 0.00 C HETATM 1310 C2B HEM A 261 -2.454 -1.765 -4.423 1.00 0.00 C HETATM 1311 C3B HEM A 261 -3.127 -0.967 -3.567 1.00 0.00 C HETATM 1312 C4B HEM A 261 -3.565 -1.797 -2.469 1.00 0.00 C HETATM 1313 CMB HEM A 261 -1.800 -1.385 -5.720 1.00 0.00 C HETATM 1314 CAB HEM A 261 -3.395 0.504 -3.691 1.00 0.00 C HETATM 1315 CBB HEM A 261 -4.033 0.909 -5.017 1.00 0.00 C HETATM 1316 NC HEM A 261 -4.505 -3.510 -0.153 1.00 0.00 N HETATM 1317 C1C HEM A 261 -4.723 -2.147 -0.249 1.00 0.00 C HETATM 1318 C2C HEM A 261 -5.315 -1.647 0.969 1.00 0.00 C HETATM 1319 C3C HEM A 261 -5.456 -2.699 1.803 1.00 0.00 C HETATM 1320 C4C HEM A 261 -4.953 -3.861 1.109 1.00 0.00 C HETATM 1321 CMC HEM A 261 -5.687 -0.214 1.217 1.00 0.00 C HETATM 1322 CAC HEM A 261 -6.022 -2.707 3.193 1.00 0.00 C HETATM 1323 CBC HEM A 261 -7.360 -1.985 3.323 1.00 0.00 C HETATM 1324 ND HEM A 261 -3.844 -6.278 -0.269 1.00 0.00 N HETATM 1325 C1D HEM A 261 -4.457 -6.283 0.971 1.00 0.00 C HETATM 1326 C2D HEM A 261 -4.545 -7.632 1.480 1.00 0.00 C HETATM 1327 C3D HEM A 261 -3.990 -8.442 0.555 1.00 0.00 C HETATM 1328 C4D HEM A 261 -3.552 -7.604 -0.536 1.00 0.00 C HETATM 1329 CMD HEM A 261 -5.151 -8.014 2.799 1.00 0.00 C HETATM 1330 CAD HEM A 261 -3.835 -9.934 0.607 1.00 0.00 C HETATM 1331 CBD HEM A 261 -5.086 -10.672 1.074 1.00 0.00 C HETATM 1332 CGD HEM A 261 -6.274 -10.361 0.175 1.00 0.00 C HETATM 1333 O1D HEM A 261 -6.456 -11.113 -0.807 1.00 0.00 O HETATM 1334 O2D HEM A 261 -6.978 -9.376 0.485 1.00 0.00 O HETATM 0 HMA1 HEM A 261 -0.939 -5.820 -6.511 1.00 0.00 H new HETATM 0 HMA2 HEM A 261 -0.702 -7.581 -6.412 1.00 0.00 H new HETATM 0 HMA3 HEM A 261 0.477 -6.480 -5.659 1.00 0.00 H new HETATM 0 HMB1 HEM A 261 -2.339 -0.550 -6.168 1.00 0.00 H new HETATM 0 HMB2 HEM A 261 -1.819 -2.237 -6.400 1.00 0.00 H new HETATM 0 HMB3 HEM A 261 -0.767 -1.092 -5.534 1.00 0.00 H new HETATM 0 HMC1 HEM A 261 -5.018 0.438 0.656 1.00 0.00 H new HETATM 0 HMC2 HEM A 261 -5.600 0.006 2.281 1.00 0.00 H new HETATM 0 HMC3 HEM A 261 -6.714 -0.044 0.894 1.00 0.00 H new HETATM 0 HMD1 HEM A 261 -5.025 -7.196 3.508 1.00 0.00 H new HETATM 0 HMD2 HEM A 261 -4.656 -8.906 3.182 1.00 0.00 H new HETATM 0 HMD3 HEM A 261 -6.213 -8.218 2.666 1.00 0.00 H new HETATM 0 HBB1 HEM A 261 -4.270 1.955 -5.211 1.00 0.00 H new HETATM 0 HBB2 HEM A 261 -4.252 0.152 -5.770 1.00 0.00 H new HETATM 0 HBC1 HEM A 261 -7.859 -1.932 4.291 1.00 0.00 H new HETATM 0 HBC2 HEM A 261 -7.817 -1.523 2.448 1.00 0.00 H new HETATM 0 HBA1 HEM A 261 -3.293 -9.430 -4.758 1.00 0.00 H new HETATM 0 HBA2 HEM A 261 -2.636 -10.833 -3.940 1.00 0.00 H new HETATM 0 HAA1 HEM A 261 -0.941 -9.605 -3.121 1.00 0.00 H new HETATM 0 HAA2 HEM A 261 -0.418 -9.206 -4.745 1.00 0.00 H new HETATM 0 HBD1 HEM A 261 -5.318 -10.387 2.100 1.00 0.00 H new HETATM 0 HBD2 HEM A 261 -4.899 -11.746 1.076 1.00 0.00 H new HETATM 0 HAD1 HEM A 261 -3.010 -10.180 1.275 1.00 0.00 H new HETATM 0 HAD2 HEM A 261 -3.561 -10.295 -0.384 1.00 0.00 H new HETATM 0 HHA HEM A 261 -2.806 -9.143 -1.814 1.00 0.00 H new HETATM 0 HHB HEM A 261 -1.306 -4.040 -5.367 1.00 0.00 H new HETATM 0 HHC HEM A 261 -4.576 -0.289 -1.350 1.00 0.00 H new HETATM 0 HHD HEM A 261 -5.295 -5.297 2.652 1.00 0.00 H new HETATM 0 HAB HEM A 261 -3.155 1.219 -2.904 1.00 0.00 H new HETATM 0 HAC HEM A 261 -5.522 -3.186 4.035 1.00 0.00 H new HETATM 1335 FE HEM A 278 -11.429 -2.287 5.464 1.00 0.00 FE HETATM 1336 CHA HEM A 278 -14.413 -0.595 4.749 1.00 0.00 C HETATM 1337 CHB HEM A 278 -13.070 -5.251 4.264 1.00 0.00 C HETATM 1338 CHC HEM A 278 -8.710 -4.198 6.160 1.00 0.00 C HETATM 1339 CHD HEM A 278 -10.028 0.498 6.566 1.00 0.00 C HETATM 1340 NA HEM A 278 -13.367 -2.828 4.684 1.00 0.00 N HETATM 1341 C1A HEM A 278 -14.412 -1.952 4.445 1.00 0.00 C HETATM 1342 C2A HEM A 278 -15.517 -2.647 3.829 1.00 0.00 C HETATM 1343 C3A HEM A 278 -15.148 -3.938 3.693 1.00 0.00 C HETATM 1344 C4A HEM A 278 -13.811 -4.056 4.224 1.00 0.00 C HETATM 1345 CMA HEM A 278 -15.943 -5.070 3.109 1.00 0.00 C HETATM 1346 CAA HEM A 278 -16.817 -2.011 3.431 1.00 0.00 C HETATM 1347 CBA HEM A 278 -16.971 -1.803 1.927 1.00 0.00 C HETATM 1348 CGA HEM A 278 -18.314 -1.167 1.596 1.00 0.00 C HETATM 1349 O1A HEM A 278 -18.296 -0.148 0.873 1.00 0.00 O HETATM 1350 O2A HEM A 278 -19.333 -1.711 2.074 1.00 0.00 O HETATM 1351 NB HEM A 278 -10.997 -4.313 5.217 1.00 0.00 N HETATM 1352 C1B HEM A 278 -11.781 -5.364 4.774 1.00 0.00 C HETATM 1353 C2B HEM A 278 -11.071 -6.613 4.916 1.00 0.00 C HETATM 1354 C3B HEM A 278 -9.862 -6.325 5.441 1.00 0.00 C HETATM 1355 C4B HEM A 278 -9.811 -4.894 5.630 1.00 0.00 C HETATM 1356 CMB HEM A 278 -11.616 -7.959 4.536 1.00 0.00 C HETATM 1357 CAB HEM A 278 -8.751 -7.275 5.781 1.00 0.00 C HETATM 1358 CBB HEM A 278 -8.270 -8.115 4.601 1.00 0.00 C HETATM 1359 NC HEM A 278 -9.626 -1.890 6.041 1.00 0.00 N HETATM 1360 C1C HEM A 278 -8.638 -2.783 6.417 1.00 0.00 C HETATM 1361 C2C HEM A 278 -7.683 -2.137 7.287 1.00 0.00 C HETATM 1362 C3C HEM A 278 -8.087 -0.858 7.439 1.00 0.00 C HETATM 1363 C4C HEM A 278 -9.296 -0.699 6.666 1.00 0.00 C HETATM 1364 CMC HEM A 278 -6.480 -2.803 7.887 1.00 0.00 C HETATM 1365 CAC HEM A 278 -7.437 0.227 8.248 1.00 0.00 C HETATM 1366 CBC HEM A 278 -6.000 0.531 7.836 1.00 0.00 C HETATM 1367 ND HEM A 278 -12.078 -0.437 5.561 1.00 0.00 N HETATM 1368 C1D HEM A 278 -11.358 0.578 6.167 1.00 0.00 C HETATM 1369 C2D HEM A 278 -12.186 1.750 6.330 1.00 0.00 C HETATM 1370 C3D HEM A 278 -13.402 1.450 5.828 1.00 0.00 C HETATM 1371 C4D HEM A 278 -13.340 0.090 5.347 1.00 0.00 C HETATM 1372 CMD HEM A 278 -11.734 3.040 6.951 1.00 0.00 C HETATM 1373 CAD HEM A 278 -14.616 2.330 5.760 1.00 0.00 C HETATM 1374 CBD HEM A 278 -14.622 3.460 6.785 1.00 0.00 C HETATM 1375 CGD HEM A 278 -15.967 4.173 6.807 1.00 0.00 C HETATM 1376 O1D HEM A 278 -16.374 4.582 7.916 1.00 0.00 O HETATM 1377 O2D HEM A 278 -16.562 4.296 5.715 1.00 0.00 O HETATM 0 HMA1 HEM A 278 -17.006 -4.892 3.274 1.00 0.00 H new HETATM 0 HMA2 HEM A 278 -15.653 -6.004 3.590 1.00 0.00 H new HETATM 0 HMA3 HEM A 278 -15.748 -5.137 2.039 1.00 0.00 H new HETATM 0 HMB1 HEM A 278 -12.700 -7.959 4.653 1.00 0.00 H new HETATM 0 HMB2 HEM A 278 -11.182 -8.723 5.181 1.00 0.00 H new HETATM 0 HMB3 HEM A 278 -11.363 -8.174 3.498 1.00 0.00 H new HETATM 0 HMC1 HEM A 278 -6.687 -3.863 8.036 1.00 0.00 H new HETATM 0 HMC2 HEM A 278 -6.249 -2.340 8.846 1.00 0.00 H new HETATM 0 HMC3 HEM A 278 -5.629 -2.691 7.215 1.00 0.00 H new HETATM 0 HMD1 HEM A 278 -12.283 3.870 6.506 1.00 0.00 H new HETATM 0 HMD2 HEM A 278 -10.667 3.175 6.774 1.00 0.00 H new HETATM 0 HMD3 HEM A 278 -11.923 3.013 8.024 1.00 0.00 H new HETATM 0 HBB1 HEM A 278 -7.466 -8.838 4.738 1.00 0.00 H new HETATM 0 HBB2 HEM A 278 -8.731 -7.992 3.621 1.00 0.00 H new HETATM 0 HBC1 HEM A 278 -5.435 1.303 8.359 1.00 0.00 H new HETATM 0 HBC2 HEM A 278 -5.538 -0.023 7.019 1.00 0.00 H new HETATM 0 HBA1 HEM A 278 -16.882 -2.760 1.413 1.00 0.00 H new HETATM 0 HBA2 HEM A 278 -16.164 -1.168 1.560 1.00 0.00 H new HETATM 0 HAA1 HEM A 278 -16.907 -1.047 3.932 1.00 0.00 H new HETATM 0 HAA2 HEM A 278 -17.638 -2.633 3.787 1.00 0.00 H new HETATM 0 HBD1 HEM A 278 -13.833 4.173 6.549 1.00 0.00 H new HETATM 0 HBD2 HEM A 278 -14.403 3.059 7.775 1.00 0.00 H new HETATM 0 HAD1 HEM A 278 -15.505 1.717 5.906 1.00 0.00 H new HETATM 0 HAD2 HEM A 278 -14.685 2.760 4.761 1.00 0.00 H new HETATM 0 HHA HEM A 278 -15.300 -0.027 4.509 1.00 0.00 H new HETATM 0 HHB HEM A 278 -13.535 -6.143 3.871 1.00 0.00 H new HETATM 0 HHC HEM A 278 -7.833 -4.782 6.397 1.00 0.00 H new HETATM 0 HHD HEM A 278 -9.522 1.419 6.816 1.00 0.00 H new HETATM 0 HAB HEM A 278 -8.326 -7.358 6.781 1.00 0.00 H new HETATM 0 HAC HEM A 278 -7.946 0.751 9.057 1.00 0.00 H new