USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 9 HIS HE2 : A 9 HIS NE2 : A 238 HEMFE :(H bumps) USER MOD NoAdj-H: A 19 HIS HE2 : A 19 HIS NE2 : A 218 HEMFE :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 238 HEMFE :(H bumps) USER MOD NoAdj-H: A 49 HIS HE2 : A 49 HIS NE2 : A 261 HEMFE :(H bumps) USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 278 HEMFE :(H bumps) USER MOD NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 261 HEMFE :(H bumps) USER MOD NoAdj-H: A 65 HIS HE2 : A 65 HIS NE2 : A 218 HEMFE :(H bumps) USER MOD NoAdj-H: A 79 HIS HE2 : A 79 HIS NE2 : A 278 HEMFE :(H bumps) USER MOD Set 1.1: A 74 THR OG1 : rot 100:sc= 1.66 USER MOD Set 1.2: A 77 THR OG1 : rot 143:sc= 1.81 USER MOD Set 2.1: A 45 MET CE :methyl -105:sc= -6.43! (180deg=-2.33!) USER MOD Set 2.2: A 261 HEM CMB :methyl 150:sc= -3.51 (180deg=-1.48) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.818 USER MOD Single : A 12 MET CE :methyl -114:sc= -3.74! (180deg=-10.9!) USER MOD Single : A 17 ASN : amide:sc= 0.0822 X(o=0.082,f=-0.26) USER MOD Single : A 25 SER OG : rot -129:sc= -0.473 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 165:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.93 K(o=-0.93,f=-1.7!) USER MOD Single : A 36 GLN :FLIP amide:sc= 0.465 F(o=-0.086,f=0.46) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.189 USER MOD Single : A 48 ASN : amide:sc= -0.247 K(o=-0.25,f=-2.8) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 148:sc=-0.00245 (180deg=-0.176) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 HEM CMA :methyl 150:sc= -6.05! (180deg=-6.05!) USER MOD Single : A 218 HEM CMB :methyl -30:sc= -0.0769 (180deg=-0.367) USER MOD Single : A 218 HEM CMC :methyl -30:sc= -6.12! (180deg=-7.93!) USER MOD Single : A 218 HEM CMD :methyl 150:sc= -6.97! (180deg=-6.97!) USER MOD Single : A 238 HEM CMA :methyl -30:sc= -9.41! (180deg=-10.2!) USER MOD Single : A 238 HEM CMB :methyl -30:sc= -1.61 (180deg=-5.39!) USER MOD Single : A 238 HEM CMC :methyl 150:sc= -5.97! (180deg=-5.97!) USER MOD Single : A 238 HEM CMD :methyl -30:sc= -0.126 (180deg=-0.342) USER MOD Single : A 261 HEM CMA :methyl 150:sc= -5.56! (180deg=-5.56!) USER MOD Single : A 261 HEM CMC :methyl 150:sc= -8.53! (180deg=-8.53!) USER MOD Single : A 261 HEM CMD :methyl -30:sc= -2.01! (180deg=-4.94!) USER MOD Single : A 278 HEM CMA :methyl 150:sc= -1.16 (180deg=-1.16) USER MOD Single : A 278 HEM CMB :methyl -30:sc= -0.693 (180deg=-0.797) USER MOD Single : A 278 HEM CMC :methyl -30:sc= -1.65 (180deg=-1.79) USER MOD Single : A 278 HEM CMD :methyl 150:sc= -5.31! (180deg=-5.31!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.265 -13.234 7.458 1.00 0.00 N ATOM 2 CA ALA A 1 15.041 -12.210 6.780 1.00 0.00 C ATOM 3 C ALA A 1 14.260 -11.706 5.564 1.00 0.00 C ATOM 4 O ALA A 1 14.678 -11.909 4.425 1.00 0.00 O ATOM 5 CB ALA A 1 16.410 -12.776 6.399 1.00 0.00 C ATOM 0 H1 ALA A 1 14.793 -13.579 8.285 1.00 0.00 H new ATOM 0 H2 ALA A 1 13.357 -12.833 7.769 1.00 0.00 H new ATOM 0 H3 ALA A 1 14.088 -14.025 6.806 1.00 0.00 H new ATOM 0 HA ALA A 1 15.212 -11.359 7.439 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.992 -12.008 5.890 1.00 0.00 H new ATOM 0 HB2 ALA A 1 16.936 -13.093 7.299 1.00 0.00 H new ATOM 0 HB3 ALA A 1 16.278 -13.631 5.735 1.00 0.00 H new ATOM 11 N ASP A 2 13.140 -11.058 5.848 1.00 0.00 N ATOM 12 CA ASP A 2 12.297 -10.523 4.793 1.00 0.00 C ATOM 13 C ASP A 2 12.615 -9.039 4.595 1.00 0.00 C ATOM 14 O ASP A 2 12.911 -8.330 5.555 1.00 0.00 O ATOM 15 CB ASP A 2 10.816 -10.644 5.156 1.00 0.00 C ATOM 16 CG ASP A 2 9.882 -10.926 3.978 1.00 0.00 C ATOM 17 OD1 ASP A 2 9.877 -10.193 2.977 1.00 0.00 O ATOM 18 OD2 ASP A 2 9.125 -11.962 4.117 1.00 0.00 O ATOM 0 H ASP A 2 12.797 -10.891 6.794 1.00 0.00 H new ATOM 0 HA ASP A 2 12.493 -11.092 3.884 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.701 -11.442 5.890 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.499 -9.719 5.638 1.00 0.00 H new ATOM 24 N GLU A 3 12.543 -8.614 3.342 1.00 0.00 N ATOM 25 CA GLU A 3 12.820 -7.228 3.005 1.00 0.00 C ATOM 26 C GLU A 3 11.515 -6.436 2.904 1.00 0.00 C ATOM 27 O GLU A 3 10.505 -6.954 2.431 1.00 0.00 O ATOM 28 CB GLU A 3 13.623 -7.129 1.707 1.00 0.00 C ATOM 29 CG GLU A 3 12.817 -7.661 0.521 1.00 0.00 C ATOM 30 CD GLU A 3 13.580 -8.770 -0.207 1.00 0.00 C ATOM 31 OE1 GLU A 3 13.084 -9.903 -0.304 1.00 0.00 O ATOM 32 OE2 GLU A 3 14.727 -8.421 -0.682 1.00 0.00 O ATOM 0 H GLU A 3 12.297 -9.205 2.548 1.00 0.00 H new ATOM 0 HA GLU A 3 13.425 -6.795 3.801 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.901 -6.091 1.526 1.00 0.00 H new ATOM 0 HB3 GLU A 3 14.550 -7.695 1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.858 -8.043 0.871 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.602 -6.847 -0.172 1.00 0.00 H new ATOM 40 N THR A 4 11.578 -5.192 3.356 1.00 0.00 N ATOM 41 CA THR A 4 10.414 -4.323 3.322 1.00 0.00 C ATOM 42 C THR A 4 9.903 -4.172 1.888 1.00 0.00 C ATOM 43 O THR A 4 10.630 -4.444 0.934 1.00 0.00 O ATOM 44 CB THR A 4 10.798 -2.993 3.973 1.00 0.00 C ATOM 45 OG1 THR A 4 11.951 -2.572 3.250 1.00 0.00 O ATOM 46 CG2 THR A 4 11.301 -3.167 5.408 1.00 0.00 C ATOM 0 H THR A 4 12.417 -4.765 3.748 1.00 0.00 H new ATOM 0 HA THR A 4 9.585 -4.750 3.886 1.00 0.00 H new ATOM 0 HB THR A 4 9.937 -2.325 3.969 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.266 -1.715 3.606 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.560 -2.193 5.823 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.519 -3.624 6.015 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.183 -3.808 5.409 1.00 0.00 H new ATOM 54 N LEU A 5 8.656 -3.738 1.781 1.00 0.00 N ATOM 55 CA LEU A 5 8.039 -3.547 0.479 1.00 0.00 C ATOM 56 C LEU A 5 8.754 -2.414 -0.259 1.00 0.00 C ATOM 57 O LEU A 5 9.020 -2.518 -1.455 1.00 0.00 O ATOM 58 CB LEU A 5 6.531 -3.330 0.627 1.00 0.00 C ATOM 59 CG LEU A 5 5.664 -3.839 -0.526 1.00 0.00 C ATOM 60 CD1 LEU A 5 5.039 -5.193 -0.185 1.00 0.00 C ATOM 61 CD2 LEU A 5 4.608 -2.802 -0.916 1.00 0.00 C ATOM 0 H LEU A 5 8.056 -3.513 2.575 1.00 0.00 H new ATOM 0 HA LEU A 5 8.150 -4.444 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.202 -3.817 1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 5 6.348 -2.262 0.749 1.00 0.00 H new ATOM 0 HG LEU A 5 6.304 -3.990 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.428 -5.532 -1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.828 -5.920 0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.415 -5.092 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.005 -3.188 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.966 -2.597 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.100 -1.881 -1.229 1.00 0.00 H new ATOM 73 N ALA A 6 9.045 -1.357 0.486 1.00 0.00 N ATOM 74 CA ALA A 6 9.724 -0.205 -0.083 1.00 0.00 C ATOM 75 C ALA A 6 11.066 -0.648 -0.670 1.00 0.00 C ATOM 76 O ALA A 6 11.558 -0.049 -1.624 1.00 0.00 O ATOM 77 CB ALA A 6 9.885 0.873 0.990 1.00 0.00 C ATOM 0 H ALA A 6 8.823 -1.274 1.478 1.00 0.00 H new ATOM 0 HA ALA A 6 9.136 0.226 -0.893 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.394 1.737 0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.903 1.174 1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.473 0.477 1.818 1.00 0.00 H new ATOM 83 N GLU A 7 11.619 -1.695 -0.075 1.00 0.00 N ATOM 84 CA GLU A 7 12.894 -2.226 -0.527 1.00 0.00 C ATOM 85 C GLU A 7 12.715 -2.990 -1.841 1.00 0.00 C ATOM 86 O GLU A 7 13.347 -2.663 -2.844 1.00 0.00 O ATOM 87 CB GLU A 7 13.528 -3.116 0.543 1.00 0.00 C ATOM 88 CG GLU A 7 15.013 -3.345 0.256 1.00 0.00 C ATOM 89 CD GLU A 7 15.642 -4.257 1.312 1.00 0.00 C ATOM 90 OE1 GLU A 7 15.109 -4.374 2.426 1.00 0.00 O ATOM 91 OE2 GLU A 7 16.722 -4.857 0.942 1.00 0.00 O ATOM 0 H GLU A 7 11.207 -2.190 0.716 1.00 0.00 H new ATOM 0 HA GLU A 7 13.571 -1.390 -0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 7 13.410 -2.653 1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.009 -4.074 0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.132 -3.791 -0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.535 -2.388 0.239 1.00 0.00 H new ATOM 99 N PHE A 8 11.850 -3.992 -1.792 1.00 0.00 N ATOM 100 CA PHE A 8 11.580 -4.805 -2.966 1.00 0.00 C ATOM 101 C PHE A 8 11.371 -3.930 -4.203 1.00 0.00 C ATOM 102 O PHE A 8 11.806 -4.282 -5.298 1.00 0.00 O ATOM 103 CB PHE A 8 10.294 -5.584 -2.684 1.00 0.00 C ATOM 104 CG PHE A 8 9.772 -6.378 -3.883 1.00 0.00 C ATOM 105 CD1 PHE A 8 10.421 -7.502 -4.289 1.00 0.00 C ATOM 106 CD2 PHE A 8 8.658 -5.961 -4.543 1.00 0.00 C ATOM 107 CE1 PHE A 8 9.937 -8.239 -5.402 1.00 0.00 C ATOM 108 CE2 PHE A 8 8.174 -6.698 -5.655 1.00 0.00 C ATOM 109 CZ PHE A 8 8.823 -7.822 -6.062 1.00 0.00 C ATOM 0 H PHE A 8 11.327 -4.260 -0.958 1.00 0.00 H new ATOM 0 HA PHE A 8 12.423 -5.468 -3.161 1.00 0.00 H new ATOM 0 HB2 PHE A 8 10.471 -6.270 -1.856 1.00 0.00 H new ATOM 0 HB3 PHE A 8 9.522 -4.886 -2.360 1.00 0.00 H new ATOM 0 HD1 PHE A 8 11.305 -7.834 -3.765 1.00 0.00 H new ATOM 0 HD2 PHE A 8 8.142 -5.069 -4.221 1.00 0.00 H new ATOM 0 HE1 PHE A 8 10.453 -9.131 -5.725 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.290 -6.366 -6.179 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.454 -8.383 -6.908 1.00 0.00 H new ATOM 119 N HIS A 9 10.704 -2.805 -3.987 1.00 0.00 N ATOM 120 CA HIS A 9 10.432 -1.876 -5.071 1.00 0.00 C ATOM 121 C HIS A 9 11.715 -1.129 -5.441 1.00 0.00 C ATOM 122 O HIS A 9 11.970 -0.870 -6.616 1.00 0.00 O ATOM 123 CB HIS A 9 9.283 -0.935 -4.705 1.00 0.00 C ATOM 124 CG HIS A 9 7.911 -1.532 -4.911 1.00 0.00 C ATOM 125 ND1 HIS A 9 7.274 -2.298 -3.951 1.00 0.00 N ATOM 126 CD2 HIS A 9 7.062 -1.466 -5.977 1.00 0.00 C ATOM 127 CE1 HIS A 9 6.096 -2.672 -4.427 1.00 0.00 C ATOM 128 NE2 HIS A 9 5.967 -2.156 -5.684 1.00 0.00 N ATOM 0 H HIS A 9 10.344 -2.516 -3.077 1.00 0.00 H new ATOM 0 HA HIS A 9 10.106 -2.427 -5.953 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.387 -0.640 -3.661 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.366 -0.027 -5.302 1.00 0.00 H new ATOM 0 HD1 HIS A 9 7.648 -2.535 -3.032 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.249 -0.941 -6.902 1.00 0.00 H new ATOM 0 HE1 HIS A 9 5.366 -3.278 -3.911 1.00 0.00 H new ATOM 136 N VAL A 10 12.489 -0.804 -4.416 1.00 0.00 N ATOM 137 CA VAL A 10 13.739 -0.092 -4.618 1.00 0.00 C ATOM 138 C VAL A 10 14.624 -0.887 -5.580 1.00 0.00 C ATOM 139 O VAL A 10 15.048 -0.368 -6.612 1.00 0.00 O ATOM 140 CB VAL A 10 14.412 0.178 -3.271 1.00 0.00 C ATOM 141 CG1 VAL A 10 15.924 0.343 -3.436 1.00 0.00 C ATOM 142 CG2 VAL A 10 13.799 1.401 -2.586 1.00 0.00 C ATOM 0 H VAL A 10 12.274 -1.021 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 10 13.555 0.881 -5.074 1.00 0.00 H new ATOM 0 HB VAL A 10 14.237 -0.687 -2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 10 16.377 0.534 -2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.345 -0.568 -3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 10 16.128 1.181 -4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.296 1.570 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.928 2.277 -3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.736 1.229 -2.417 1.00 0.00 H new ATOM 152 N GLU A 11 14.877 -2.133 -5.208 1.00 0.00 N ATOM 153 CA GLU A 11 15.703 -3.005 -6.025 1.00 0.00 C ATOM 154 C GLU A 11 15.177 -3.044 -7.461 1.00 0.00 C ATOM 155 O GLU A 11 15.903 -3.413 -8.383 1.00 0.00 O ATOM 156 CB GLU A 11 15.773 -4.412 -5.428 1.00 0.00 C ATOM 157 CG GLU A 11 16.748 -5.293 -6.212 1.00 0.00 C ATOM 158 CD GLU A 11 17.947 -5.687 -5.347 1.00 0.00 C ATOM 159 OE1 GLU A 11 17.784 -6.411 -4.354 1.00 0.00 O ATOM 160 OE2 GLU A 11 19.081 -5.214 -5.740 1.00 0.00 O ATOM 0 H GLU A 11 14.524 -2.560 -4.351 1.00 0.00 H new ATOM 0 HA GLU A 11 16.716 -2.602 -6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.088 -4.353 -4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.781 -4.864 -5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.235 -6.190 -6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 11 17.093 -4.760 -7.098 1.00 0.00 H new ATOM 168 N MET A 12 13.917 -2.658 -7.606 1.00 0.00 N ATOM 169 CA MET A 12 13.285 -2.644 -8.914 1.00 0.00 C ATOM 170 C MET A 12 13.206 -1.221 -9.470 1.00 0.00 C ATOM 171 O MET A 12 12.430 -0.950 -10.385 1.00 0.00 O ATOM 172 CB MET A 12 11.875 -3.229 -8.806 1.00 0.00 C ATOM 173 CG MET A 12 11.787 -4.582 -9.514 1.00 0.00 C ATOM 174 SD MET A 12 11.081 -5.800 -8.416 1.00 0.00 S ATOM 175 CE MET A 12 9.743 -4.849 -7.717 1.00 0.00 C ATOM 0 H MET A 12 13.318 -2.353 -6.839 1.00 0.00 H new ATOM 0 HA MET A 12 13.887 -3.247 -9.594 1.00 0.00 H new ATOM 0 HB2 MET A 12 11.605 -3.346 -7.756 1.00 0.00 H new ATOM 0 HB3 MET A 12 11.156 -2.537 -9.245 1.00 0.00 H new ATOM 0 HG2 MET A 12 11.176 -4.493 -10.412 1.00 0.00 H new ATOM 0 HG3 MET A 12 12.779 -4.900 -9.833 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.925 -4.692 -6.654 1.00 0.00 H new ATOM 0 HE2 MET A 12 9.680 -3.884 -8.221 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.805 -5.389 -7.849 1.00 0.00 H new ATOM 185 N GLY A 13 14.021 -0.349 -8.894 1.00 0.00 N ATOM 186 CA GLY A 13 14.053 1.040 -9.320 1.00 0.00 C ATOM 187 C GLY A 13 14.951 1.874 -8.404 1.00 0.00 C ATOM 188 O GLY A 13 16.080 2.201 -8.766 1.00 0.00 O ATOM 0 H GLY A 13 14.664 -0.578 -8.136 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.417 1.101 -10.346 1.00 0.00 H new ATOM 0 HA3 GLY A 13 13.043 1.449 -9.315 1.00 0.00 H new ATOM 192 N GLY A 14 14.415 2.194 -7.235 1.00 0.00 N ATOM 193 CA GLY A 14 15.153 2.983 -6.265 1.00 0.00 C ATOM 194 C GLY A 14 14.205 3.662 -5.274 1.00 0.00 C ATOM 195 O GLY A 14 13.019 3.338 -5.223 1.00 0.00 O ATOM 0 H GLY A 14 13.478 1.921 -6.938 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.851 2.343 -5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.747 3.738 -6.781 1.00 0.00 H new ATOM 199 N CYS A 15 14.762 4.592 -4.512 1.00 0.00 N ATOM 200 CA CYS A 15 13.980 5.319 -3.527 1.00 0.00 C ATOM 201 C CYS A 15 13.067 6.299 -4.266 1.00 0.00 C ATOM 202 O CYS A 15 12.095 6.796 -3.698 1.00 0.00 O ATOM 203 CB CYS A 15 14.874 6.029 -2.508 1.00 0.00 C ATOM 204 SG CYS A 15 15.857 4.914 -1.441 1.00 0.00 S ATOM 0 H CYS A 15 15.746 4.859 -4.557 1.00 0.00 H new ATOM 0 HA CYS A 15 13.371 4.620 -2.954 1.00 0.00 H new ATOM 0 HB2 CYS A 15 15.555 6.691 -3.042 1.00 0.00 H new ATOM 0 HB3 CYS A 15 14.249 6.658 -1.874 1.00 0.00 H new ATOM 209 N GLU A 16 13.411 6.548 -5.521 1.00 0.00 N ATOM 210 CA GLU A 16 12.634 7.459 -6.343 1.00 0.00 C ATOM 211 C GLU A 16 11.436 6.731 -6.957 1.00 0.00 C ATOM 212 O GLU A 16 10.775 7.259 -7.849 1.00 0.00 O ATOM 213 CB GLU A 16 13.504 8.095 -7.429 1.00 0.00 C ATOM 214 CG GLU A 16 14.632 8.925 -6.812 1.00 0.00 C ATOM 215 CD GLU A 16 15.845 8.049 -6.491 1.00 0.00 C ATOM 216 OE1 GLU A 16 16.054 7.016 -7.144 1.00 0.00 O ATOM 217 OE2 GLU A 16 16.584 8.476 -5.524 1.00 0.00 O ATOM 0 H GLU A 16 14.218 6.134 -5.988 1.00 0.00 H new ATOM 0 HA GLU A 16 12.260 8.261 -5.707 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.926 7.316 -8.064 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.889 8.729 -8.068 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.924 9.718 -7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.277 9.408 -5.902 1.00 0.00 H new ATOM 225 N ASN A 17 11.194 5.529 -6.454 1.00 0.00 N ATOM 226 CA ASN A 17 10.088 4.723 -6.941 1.00 0.00 C ATOM 227 C ASN A 17 8.769 5.324 -6.449 1.00 0.00 C ATOM 228 O ASN A 17 7.726 5.134 -7.072 1.00 0.00 O ATOM 229 CB ASN A 17 10.178 3.289 -6.417 1.00 0.00 C ATOM 230 CG ASN A 17 9.445 2.319 -7.345 1.00 0.00 C ATOM 231 OD1 ASN A 17 10.030 1.432 -7.946 1.00 0.00 O ATOM 232 ND2 ASN A 17 8.136 2.535 -7.429 1.00 0.00 N ATOM 0 H ASN A 17 11.745 5.094 -5.714 1.00 0.00 H new ATOM 0 HA ASN A 17 10.133 4.712 -8.030 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.224 2.995 -6.330 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.748 3.236 -5.417 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.558 1.941 -8.023 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.710 3.295 -6.899 1.00 0.00 H new ATOM 239 N CYS A 18 8.860 6.037 -5.336 1.00 0.00 N ATOM 240 CA CYS A 18 7.687 6.667 -4.754 1.00 0.00 C ATOM 241 C CYS A 18 8.125 7.969 -4.080 1.00 0.00 C ATOM 242 O CYS A 18 7.472 8.442 -3.152 1.00 0.00 O ATOM 243 CB CYS A 18 6.969 5.733 -3.778 1.00 0.00 C ATOM 244 SG CYS A 18 7.090 4.003 -4.364 1.00 0.00 S ATOM 0 H CYS A 18 9.727 6.192 -4.822 1.00 0.00 H new ATOM 0 HA CYS A 18 6.964 6.891 -5.539 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.411 5.821 -2.785 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.922 6.023 -3.688 1.00 0.00 H new ATOM 249 N HIS A 19 9.229 8.510 -4.573 1.00 0.00 N ATOM 250 CA HIS A 19 9.763 9.748 -4.030 1.00 0.00 C ATOM 251 C HIS A 19 10.389 10.575 -5.155 1.00 0.00 C ATOM 252 O HIS A 19 11.093 10.036 -6.008 1.00 0.00 O ATOM 253 CB HIS A 19 10.741 9.464 -2.889 1.00 0.00 C ATOM 254 CG HIS A 19 10.118 8.763 -1.706 1.00 0.00 C ATOM 255 ND1 HIS A 19 8.877 9.108 -1.199 1.00 0.00 N ATOM 256 CD2 HIS A 19 10.576 7.734 -0.936 1.00 0.00 C ATOM 257 CE1 HIS A 19 8.611 8.316 -0.170 1.00 0.00 C ATOM 258 NE2 HIS A 19 9.665 7.466 -0.009 1.00 0.00 N ATOM 0 H HIS A 19 9.769 8.114 -5.343 1.00 0.00 H new ATOM 0 HA HIS A 19 8.954 10.338 -3.599 1.00 0.00 H new ATOM 0 HB2 HIS A 19 11.560 8.854 -3.270 1.00 0.00 H new ATOM 0 HB3 HIS A 19 11.175 10.406 -2.553 1.00 0.00 H new ATOM 0 HD1 HIS A 19 8.270 9.846 -1.556 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.520 7.224 -1.060 1.00 0.00 H new ATOM 0 HE1 HIS A 19 7.717 8.340 0.435 1.00 0.00 H new ATOM 266 N ALA A 20 10.109 11.869 -5.121 1.00 0.00 N ATOM 267 CA ALA A 20 10.636 12.775 -6.128 1.00 0.00 C ATOM 268 C ALA A 20 11.854 13.507 -5.561 1.00 0.00 C ATOM 269 O ALA A 20 11.753 14.194 -4.546 1.00 0.00 O ATOM 270 CB ALA A 20 9.533 13.738 -6.576 1.00 0.00 C ATOM 0 H ALA A 20 9.524 12.312 -4.412 1.00 0.00 H new ATOM 0 HA ALA A 20 10.964 12.222 -7.008 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.928 14.418 -7.331 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.703 13.170 -6.997 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.182 14.313 -5.719 1.00 0.00 H new ATOM 276 N ASP A 21 12.977 13.335 -6.242 1.00 0.00 N ATOM 277 CA ASP A 21 14.214 13.971 -5.820 1.00 0.00 C ATOM 278 C ASP A 21 14.353 13.846 -4.301 1.00 0.00 C ATOM 279 O ASP A 21 14.839 14.763 -3.641 1.00 0.00 O ATOM 280 CB ASP A 21 14.217 15.459 -6.174 1.00 0.00 C ATOM 281 CG ASP A 21 15.530 16.190 -5.885 1.00 0.00 C ATOM 282 OD1 ASP A 21 15.548 17.224 -5.201 1.00 0.00 O ATOM 283 OD2 ASP A 21 16.580 15.648 -6.402 1.00 0.00 O ATOM 0 H ASP A 21 13.057 12.764 -7.084 1.00 0.00 H new ATOM 0 HA ASP A 21 15.040 13.477 -6.333 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.985 15.565 -7.234 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.416 15.950 -5.621 1.00 0.00 H new ATOM 289 N GLY A 22 13.918 12.703 -3.791 1.00 0.00 N ATOM 290 CA GLY A 22 13.989 12.446 -2.363 1.00 0.00 C ATOM 291 C GLY A 22 13.229 13.516 -1.575 1.00 0.00 C ATOM 292 O GLY A 22 13.810 14.204 -0.738 1.00 0.00 O ATOM 0 H GLY A 22 13.515 11.945 -4.341 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.571 11.463 -2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 22 15.031 12.426 -2.045 1.00 0.00 H new ATOM 296 N GLU A 23 11.942 13.622 -1.872 1.00 0.00 N ATOM 297 CA GLU A 23 11.097 14.595 -1.202 1.00 0.00 C ATOM 298 C GLU A 23 9.683 14.040 -1.027 1.00 0.00 C ATOM 299 O GLU A 23 8.744 14.411 -1.728 1.00 0.00 O ATOM 300 CB GLU A 23 11.075 15.920 -1.967 1.00 0.00 C ATOM 301 CG GLU A 23 10.776 17.091 -1.029 1.00 0.00 C ATOM 302 CD GLU A 23 12.013 17.971 -0.839 1.00 0.00 C ATOM 303 OE1 GLU A 23 12.645 17.931 0.227 1.00 0.00 O ATOM 304 OE2 GLU A 23 12.311 18.717 -1.848 1.00 0.00 O ATOM 0 H GLU A 23 11.464 13.050 -2.568 1.00 0.00 H new ATOM 0 HA GLU A 23 11.514 14.790 -0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.036 16.078 -2.456 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.321 15.878 -2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.960 17.688 -1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.443 16.712 -0.063 1.00 0.00 H new ATOM 312 N PRO A 24 9.550 13.128 -0.061 1.00 0.00 N ATOM 313 CA PRO A 24 8.305 12.474 0.278 1.00 0.00 C ATOM 314 C PRO A 24 7.199 13.512 0.400 1.00 0.00 C ATOM 315 O PRO A 24 7.416 14.538 1.043 1.00 0.00 O ATOM 316 CB PRO A 24 8.571 11.798 1.622 1.00 0.00 C ATOM 317 CG PRO A 24 10.027 11.550 1.626 1.00 0.00 C ATOM 318 CD PRO A 24 10.633 12.668 0.782 1.00 0.00 C ATOM 0 HA PRO A 24 7.985 11.755 -0.476 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.274 12.437 2.454 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.009 10.869 1.718 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.425 11.565 2.641 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.260 10.571 1.206 1.00 0.00 H new ATOM 0 HD2 PRO A 24 11.015 13.474 1.409 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.470 12.304 0.186 1.00 0.00 H new ATOM 326 N SER A 25 6.056 13.236 -0.210 1.00 0.00 N ATOM 327 CA SER A 25 4.937 14.162 -0.157 1.00 0.00 C ATOM 328 C SER A 25 4.521 14.397 1.296 1.00 0.00 C ATOM 329 O SER A 25 4.854 13.606 2.177 1.00 0.00 O ATOM 330 CB SER A 25 3.751 13.640 -0.971 1.00 0.00 C ATOM 331 OG SER A 25 3.093 14.683 -1.685 1.00 0.00 O ATOM 0 H SER A 25 5.880 12.385 -0.743 1.00 0.00 H new ATOM 0 HA SER A 25 5.255 15.108 -0.595 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.099 12.883 -1.674 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.040 13.153 -0.304 1.00 0.00 H new ATOM 0 HG SER A 25 2.130 14.646 -1.505 1.00 0.00 H new ATOM 337 N LYS A 26 3.799 15.489 1.502 1.00 0.00 N ATOM 338 CA LYS A 26 3.333 15.839 2.833 1.00 0.00 C ATOM 339 C LYS A 26 1.812 15.681 2.895 1.00 0.00 C ATOM 340 O LYS A 26 1.124 16.498 3.504 1.00 0.00 O ATOM 341 CB LYS A 26 3.823 17.235 3.222 1.00 0.00 C ATOM 342 CG LYS A 26 5.234 17.490 2.687 1.00 0.00 C ATOM 343 CD LYS A 26 6.124 18.112 3.764 1.00 0.00 C ATOM 344 CE LYS A 26 7.597 17.778 3.517 1.00 0.00 C ATOM 345 NZ LYS A 26 8.408 19.015 3.470 1.00 0.00 N ATOM 0 H LYS A 26 3.525 16.143 0.769 1.00 0.00 H new ATOM 0 HA LYS A 26 3.754 15.160 3.575 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.139 17.987 2.828 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.818 17.337 4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.672 16.552 2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.185 18.153 1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.989 19.194 3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.824 17.745 4.746 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.965 17.124 4.308 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.700 17.233 2.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.405 18.770 3.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.066 19.625 2.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.324 19.520 4.375 1.00 0.00 H new ATOM 358 N ASP A 27 1.333 14.625 2.255 1.00 0.00 N ATOM 359 CA ASP A 27 -0.094 14.349 2.229 1.00 0.00 C ATOM 360 C ASP A 27 -0.316 12.838 2.145 1.00 0.00 C ATOM 361 O ASP A 27 -0.906 12.243 3.045 1.00 0.00 O ATOM 362 CB ASP A 27 -0.757 14.993 1.011 1.00 0.00 C ATOM 363 CG ASP A 27 0.059 14.925 -0.282 1.00 0.00 C ATOM 364 OD1 ASP A 27 1.153 14.343 -0.316 1.00 0.00 O ATOM 365 OD2 ASP A 27 -0.480 15.508 -1.298 1.00 0.00 O ATOM 0 H ASP A 27 1.907 13.950 1.750 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.533 14.760 3.138 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.719 14.509 0.842 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.962 16.039 1.239 1.00 0.00 H new ATOM 371 N GLY A 28 0.169 12.261 1.055 1.00 0.00 N ATOM 372 CA GLY A 28 0.031 10.830 0.842 1.00 0.00 C ATOM 373 C GLY A 28 -0.595 10.538 -0.523 1.00 0.00 C ATOM 374 O GLY A 28 -0.367 9.475 -1.100 1.00 0.00 O ATOM 0 H GLY A 28 0.658 12.758 0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.009 10.353 0.907 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.587 10.399 1.630 1.00 0.00 H new ATOM 378 N ALA A 29 -1.372 11.499 -1.001 1.00 0.00 N ATOM 379 CA ALA A 29 -2.032 11.358 -2.288 1.00 0.00 C ATOM 380 C ALA A 29 -0.976 11.277 -3.392 1.00 0.00 C ATOM 381 O ALA A 29 -0.972 10.376 -4.228 1.00 0.00 O ATOM 382 CB ALA A 29 -3.003 12.522 -2.494 1.00 0.00 C ATOM 0 H ALA A 29 -1.559 12.379 -0.520 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.615 10.438 -2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.498 12.416 -3.459 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.750 12.517 -1.700 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.453 13.463 -2.469 1.00 0.00 H new ATOM 388 N TYR A 30 -0.066 12.254 -3.375 1.00 0.00 N ATOM 389 CA TYR A 30 0.999 12.321 -4.355 1.00 0.00 C ATOM 390 C TYR A 30 1.637 10.949 -4.520 1.00 0.00 C ATOM 391 O TYR A 30 1.852 10.526 -5.654 1.00 0.00 O ATOM 392 CB TYR A 30 2.035 13.349 -3.908 1.00 0.00 C ATOM 393 CG TYR A 30 3.126 13.587 -4.924 1.00 0.00 C ATOM 394 CD1 TYR A 30 2.799 13.760 -6.274 1.00 0.00 C ATOM 395 CD2 TYR A 30 4.465 13.633 -4.516 1.00 0.00 C ATOM 396 CE1 TYR A 30 3.811 13.980 -7.217 1.00 0.00 C ATOM 397 CE2 TYR A 30 5.476 13.853 -5.459 1.00 0.00 C ATOM 398 CZ TYR A 30 5.149 14.026 -6.809 1.00 0.00 C ATOM 399 OH TYR A 30 6.135 14.240 -7.727 1.00 0.00 O ATOM 0 H TYR A 30 -0.053 13.007 -2.688 1.00 0.00 H new ATOM 0 HA TYR A 30 0.593 12.628 -5.319 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.532 14.293 -3.700 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.486 13.015 -2.974 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.766 13.724 -6.588 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.717 13.499 -3.475 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.559 14.114 -8.259 1.00 0.00 H new ATOM 0 HE2 TYR A 30 6.509 13.889 -5.145 1.00 0.00 H new ATOM 0 HH TYR A 30 6.965 14.481 -7.265 1.00 0.00 H new ATOM 409 N GLU A 31 1.921 10.290 -3.406 1.00 0.00 N ATOM 410 CA GLU A 31 2.531 8.972 -3.452 1.00 0.00 C ATOM 411 C GLU A 31 1.536 7.945 -3.997 1.00 0.00 C ATOM 412 O GLU A 31 1.856 7.192 -4.915 1.00 0.00 O ATOM 413 CB GLU A 31 3.046 8.557 -2.072 1.00 0.00 C ATOM 414 CG GLU A 31 4.543 8.842 -1.937 1.00 0.00 C ATOM 415 CD GLU A 31 4.817 9.797 -0.774 1.00 0.00 C ATOM 416 OE1 GLU A 31 4.065 10.763 -0.573 1.00 0.00 O ATOM 417 OE2 GLU A 31 5.854 9.507 -0.062 1.00 0.00 O ATOM 0 H GLU A 31 1.740 10.644 -2.467 1.00 0.00 H new ATOM 0 HA GLU A 31 3.387 9.013 -4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.498 9.096 -1.299 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.859 7.495 -1.914 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.082 7.908 -1.780 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.919 9.275 -2.864 1.00 0.00 H new ATOM 425 N PHE A 32 0.349 7.949 -3.408 1.00 0.00 N ATOM 426 CA PHE A 32 -0.695 7.027 -3.822 1.00 0.00 C ATOM 427 C PHE A 32 -0.807 6.976 -5.348 1.00 0.00 C ATOM 428 O PHE A 32 -1.264 5.980 -5.907 1.00 0.00 O ATOM 429 CB PHE A 32 -2.010 7.551 -3.244 1.00 0.00 C ATOM 430 CG PHE A 32 -3.257 6.891 -3.835 1.00 0.00 C ATOM 431 CD1 PHE A 32 -3.357 5.535 -3.869 1.00 0.00 C ATOM 432 CD2 PHE A 32 -4.266 7.660 -4.327 1.00 0.00 C ATOM 433 CE1 PHE A 32 -4.515 4.922 -4.418 1.00 0.00 C ATOM 434 CE2 PHE A 32 -5.423 7.047 -4.875 1.00 0.00 C ATOM 435 CZ PHE A 32 -5.523 5.691 -4.909 1.00 0.00 C ATOM 0 H PHE A 32 0.087 8.576 -2.647 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.466 6.022 -3.467 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.007 7.398 -2.165 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.066 8.626 -3.413 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.556 4.924 -3.479 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.187 8.737 -4.301 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.595 3.845 -4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.224 7.657 -5.265 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.403 5.225 -5.326 1.00 0.00 H new ATOM 445 N GLU A 33 -0.381 8.061 -5.977 1.00 0.00 N ATOM 446 CA GLU A 33 -0.427 8.152 -7.426 1.00 0.00 C ATOM 447 C GLU A 33 0.599 7.204 -8.051 1.00 0.00 C ATOM 448 O GLU A 33 0.294 6.500 -9.013 1.00 0.00 O ATOM 449 CB GLU A 33 -0.200 9.591 -7.893 1.00 0.00 C ATOM 450 CG GLU A 33 -1.468 10.170 -8.524 1.00 0.00 C ATOM 451 CD GLU A 33 -2.303 10.921 -7.485 1.00 0.00 C ATOM 452 OE1 GLU A 33 -3.151 10.313 -6.814 1.00 0.00 O ATOM 453 OE2 GLU A 33 -2.046 12.181 -7.386 1.00 0.00 O ATOM 0 H GLU A 33 -0.002 8.885 -5.510 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.420 7.850 -7.758 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.104 10.208 -7.047 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.615 9.618 -8.616 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.199 10.845 -9.336 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.061 9.366 -8.961 1.00 0.00 H new ATOM 461 N GLN A 34 1.794 7.217 -7.479 1.00 0.00 N ATOM 462 CA GLN A 34 2.867 6.368 -7.968 1.00 0.00 C ATOM 463 C GLN A 34 2.390 4.918 -8.071 1.00 0.00 C ATOM 464 O GLN A 34 2.825 4.179 -8.953 1.00 0.00 O ATOM 465 CB GLN A 34 4.103 6.477 -7.074 1.00 0.00 C ATOM 466 CG GLN A 34 4.706 7.881 -7.140 1.00 0.00 C ATOM 467 CD GLN A 34 4.758 8.388 -8.583 1.00 0.00 C ATOM 468 OE1 GLN A 34 5.047 7.656 -9.515 1.00 0.00 O ATOM 469 NE2 GLN A 34 4.464 9.678 -8.714 1.00 0.00 N ATOM 0 H GLN A 34 2.043 7.802 -6.681 1.00 0.00 H new ATOM 0 HA GLN A 34 3.149 6.709 -8.964 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.833 6.241 -6.045 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.847 5.743 -7.385 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.113 8.564 -6.532 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.711 7.869 -6.718 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.231 10.234 -7.891 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.472 10.112 -9.637 1.00 0.00 H new ATOM 478 N CYS A 35 1.504 4.553 -7.156 1.00 0.00 N ATOM 479 CA CYS A 35 0.964 3.204 -7.133 1.00 0.00 C ATOM 480 C CYS A 35 -0.261 3.161 -8.049 1.00 0.00 C ATOM 481 O CYS A 35 -1.311 2.651 -7.663 1.00 0.00 O ATOM 482 CB CYS A 35 0.628 2.754 -5.710 1.00 0.00 C ATOM 483 SG CYS A 35 1.626 3.548 -4.398 1.00 0.00 S ATOM 0 H CYS A 35 1.146 5.168 -6.425 1.00 0.00 H new ATOM 0 HA CYS A 35 1.714 2.503 -7.498 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.426 2.958 -5.519 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.761 1.674 -5.645 1.00 0.00 H new ATOM 488 N GLN A 36 -0.085 3.704 -9.245 1.00 0.00 N ATOM 489 CA GLN A 36 -1.163 3.734 -10.219 1.00 0.00 C ATOM 490 C GLN A 36 -0.595 3.694 -11.639 1.00 0.00 C ATOM 491 O GLN A 36 -0.778 4.635 -12.411 1.00 0.00 O ATOM 492 CB GLN A 36 -2.050 4.963 -10.017 1.00 0.00 C ATOM 493 CG GLN A 36 -3.523 4.563 -9.904 1.00 0.00 C ATOM 494 CD GLN A 36 -4.244 5.418 -8.858 1.00 0.00 C ATOM 495 OE1 GLN A 36 -4.068 6.727 -9.015 1.00 0.00 O flip ATOM 496 NE2 GLN A 36 -4.915 4.921 -7.969 1.00 0.00 N flip ATOM 0 H GLN A 36 0.788 4.127 -9.561 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.785 2.851 -10.072 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.743 5.493 -9.115 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.919 5.652 -10.852 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.010 4.678 -10.872 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.598 3.510 -9.633 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.008 3.907 -7.907 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.383 5.519 -7.288 1.00 0.00 H new ATOM 505 N SER A 37 0.082 2.596 -11.942 1.00 0.00 N ATOM 506 CA SER A 37 0.677 2.422 -13.256 1.00 0.00 C ATOM 507 C SER A 37 1.042 0.952 -13.475 1.00 0.00 C ATOM 508 O SER A 37 0.378 0.251 -14.236 1.00 0.00 O ATOM 509 CB SER A 37 1.914 3.307 -13.422 1.00 0.00 C ATOM 510 OG SER A 37 2.423 3.269 -14.752 1.00 0.00 O ATOM 0 H SER A 37 0.232 1.818 -11.300 1.00 0.00 H new ATOM 0 HA SER A 37 -0.055 2.723 -14.005 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.662 4.335 -13.159 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.689 2.981 -12.728 1.00 0.00 H new ATOM 0 HG SER A 37 3.211 3.848 -14.817 1.00 0.00 H new ATOM 516 N CYS A 38 2.097 0.530 -12.793 1.00 0.00 N ATOM 517 CA CYS A 38 2.558 -0.843 -12.903 1.00 0.00 C ATOM 518 C CYS A 38 1.511 -1.755 -12.259 1.00 0.00 C ATOM 519 O CYS A 38 1.575 -2.975 -12.398 1.00 0.00 O ATOM 520 CB CYS A 38 3.940 -1.028 -12.273 1.00 0.00 C ATOM 521 SG CYS A 38 5.007 0.404 -12.674 1.00 0.00 S ATOM 0 H CYS A 38 2.645 1.115 -12.162 1.00 0.00 H new ATOM 0 HA CYS A 38 2.672 -1.107 -13.954 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.845 -1.130 -11.192 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.397 -1.947 -12.641 1.00 0.00 H new ATOM 526 N HIS A 39 0.571 -1.127 -11.568 1.00 0.00 N ATOM 527 CA HIS A 39 -0.488 -1.866 -10.902 1.00 0.00 C ATOM 528 C HIS A 39 -1.841 -1.473 -11.498 1.00 0.00 C ATOM 529 O HIS A 39 -2.318 -2.109 -12.438 1.00 0.00 O ATOM 530 CB HIS A 39 -0.425 -1.660 -9.387 1.00 0.00 C ATOM 531 CG HIS A 39 0.803 -2.250 -8.737 1.00 0.00 C ATOM 532 ND1 HIS A 39 1.087 -3.605 -8.762 1.00 0.00 N ATOM 533 CD2 HIS A 39 1.818 -1.657 -8.046 1.00 0.00 C ATOM 534 CE1 HIS A 39 2.223 -3.806 -8.111 1.00 0.00 C ATOM 535 NE2 HIS A 39 2.675 -2.598 -7.668 1.00 0.00 N ATOM 0 H HIS A 39 0.521 -0.115 -11.455 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.352 -2.934 -11.071 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.458 -0.591 -9.174 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.312 -2.103 -8.933 1.00 0.00 H new ATOM 0 HD1 HIS A 39 0.518 -4.326 -9.206 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.909 -0.601 -7.841 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.707 -4.759 -7.958 1.00 0.00 H new ATOM 543 N GLY A 40 -2.422 -0.428 -10.928 1.00 0.00 N ATOM 544 CA GLY A 40 -3.711 0.057 -11.391 1.00 0.00 C ATOM 545 C GLY A 40 -4.469 0.762 -10.264 1.00 0.00 C ATOM 546 O GLY A 40 -3.858 1.309 -9.348 1.00 0.00 O ATOM 0 H GLY A 40 -2.024 0.097 -10.149 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.567 0.746 -12.223 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.304 -0.777 -11.767 1.00 0.00 H new ATOM 550 N SER A 41 -5.789 0.725 -10.369 1.00 0.00 N ATOM 551 CA SER A 41 -6.637 1.353 -9.370 1.00 0.00 C ATOM 552 C SER A 41 -7.383 0.283 -8.570 1.00 0.00 C ATOM 553 O SER A 41 -7.689 -0.788 -9.092 1.00 0.00 O ATOM 554 CB SER A 41 -7.630 2.319 -10.019 1.00 0.00 C ATOM 555 OG SER A 41 -8.790 2.514 -9.214 1.00 0.00 O ATOM 0 H SER A 41 -6.292 0.270 -11.131 1.00 0.00 H new ATOM 0 HA SER A 41 -6.003 1.927 -8.694 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.143 3.279 -10.191 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.926 1.933 -10.994 1.00 0.00 H new ATOM 0 HG SER A 41 -9.398 3.138 -9.662 1.00 0.00 H new ATOM 561 N LEU A 42 -7.655 0.611 -7.315 1.00 0.00 N ATOM 562 CA LEU A 42 -8.359 -0.308 -6.437 1.00 0.00 C ATOM 563 C LEU A 42 -9.703 -0.679 -7.067 1.00 0.00 C ATOM 564 O LEU A 42 -10.173 -1.806 -6.917 1.00 0.00 O ATOM 565 CB LEU A 42 -8.481 0.282 -5.030 1.00 0.00 C ATOM 566 CG LEU A 42 -7.176 0.753 -4.386 1.00 0.00 C ATOM 567 CD1 LEU A 42 -7.388 2.052 -3.606 1.00 0.00 C ATOM 568 CD2 LEU A 42 -6.567 -0.346 -3.513 1.00 0.00 C ATOM 0 H LEU A 42 -7.400 1.500 -6.886 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.794 -1.233 -6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.169 1.126 -5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.934 -0.468 -4.381 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.461 0.966 -5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.445 2.365 -3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.744 2.829 -4.283 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.126 1.889 -2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.640 0.015 -3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.269 -0.614 -2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.357 -1.223 -4.126 1.00 0.00 H new ATOM 580 N ALA A 43 -10.284 0.290 -7.758 1.00 0.00 N ATOM 581 CA ALA A 43 -11.565 0.080 -8.411 1.00 0.00 C ATOM 582 C ALA A 43 -11.388 -0.912 -9.563 1.00 0.00 C ATOM 583 O ALA A 43 -12.367 -1.347 -10.168 1.00 0.00 O ATOM 584 CB ALA A 43 -12.126 1.424 -8.880 1.00 0.00 C ATOM 0 H ALA A 43 -9.891 1.223 -7.880 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.286 -0.348 -7.714 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.087 1.266 -9.370 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.260 2.082 -8.021 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.431 1.883 -9.583 1.00 0.00 H new ATOM 590 N GLU A 44 -10.133 -1.241 -9.832 1.00 0.00 N ATOM 591 CA GLU A 44 -9.815 -2.173 -10.900 1.00 0.00 C ATOM 592 C GLU A 44 -9.140 -3.423 -10.331 1.00 0.00 C ATOM 593 O GLU A 44 -8.421 -4.122 -11.042 1.00 0.00 O ATOM 594 CB GLU A 44 -8.936 -1.511 -11.962 1.00 0.00 C ATOM 595 CG GLU A 44 -9.316 -1.990 -13.365 1.00 0.00 C ATOM 596 CD GLU A 44 -10.779 -1.666 -13.677 1.00 0.00 C ATOM 597 OE1 GLU A 44 -11.273 -0.596 -13.292 1.00 0.00 O ATOM 598 OE2 GLU A 44 -11.407 -2.572 -14.347 1.00 0.00 O ATOM 0 H GLU A 44 -9.324 -0.878 -9.328 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.745 -2.474 -11.382 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.041 -0.428 -11.903 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.888 -1.740 -11.767 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.669 -1.515 -14.103 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.153 -3.065 -13.443 1.00 0.00 H new ATOM 606 N MET A 45 -9.396 -3.665 -9.053 1.00 0.00 N ATOM 607 CA MET A 45 -8.822 -4.818 -8.380 1.00 0.00 C ATOM 608 C MET A 45 -9.916 -5.770 -7.894 1.00 0.00 C ATOM 609 O MET A 45 -11.090 -5.586 -8.212 1.00 0.00 O ATOM 610 CB MET A 45 -7.985 -4.349 -7.188 1.00 0.00 C ATOM 611 CG MET A 45 -6.814 -3.478 -7.648 1.00 0.00 C ATOM 612 SD MET A 45 -5.509 -3.517 -6.432 1.00 0.00 S ATOM 613 CE MET A 45 -4.542 -2.116 -6.969 1.00 0.00 C ATOM 0 H MET A 45 -9.993 -3.082 -8.466 1.00 0.00 H new ATOM 0 HA MET A 45 -8.191 -5.353 -9.090 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.613 -3.785 -6.498 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.607 -5.213 -6.642 1.00 0.00 H new ATOM 0 HG2 MET A 45 -6.439 -3.835 -8.607 1.00 0.00 H new ATOM 0 HG3 MET A 45 -7.151 -2.452 -7.799 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.640 -2.467 -7.471 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.130 -1.512 -7.660 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.265 -1.513 -6.105 1.00 0.00 H new ATOM 623 N ASP A 46 -9.492 -6.766 -7.130 1.00 0.00 N ATOM 624 CA ASP A 46 -10.422 -7.747 -6.596 1.00 0.00 C ATOM 625 C ASP A 46 -11.590 -7.023 -5.924 1.00 0.00 C ATOM 626 O ASP A 46 -11.618 -5.795 -5.874 1.00 0.00 O ATOM 627 CB ASP A 46 -9.746 -8.631 -5.546 1.00 0.00 C ATOM 628 CG ASP A 46 -8.324 -8.213 -5.167 1.00 0.00 C ATOM 629 OD1 ASP A 46 -8.011 -7.016 -5.081 1.00 0.00 O ATOM 630 OD2 ASP A 46 -7.508 -9.189 -4.952 1.00 0.00 O ATOM 0 H ASP A 46 -8.518 -6.915 -6.868 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.769 -8.368 -7.422 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.360 -8.634 -4.645 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.721 -9.655 -5.917 1.00 0.00 H new ATOM 636 N ASP A 47 -12.527 -7.816 -5.425 1.00 0.00 N ATOM 637 CA ASP A 47 -13.696 -7.267 -4.759 1.00 0.00 C ATOM 638 C ASP A 47 -13.339 -6.929 -3.310 1.00 0.00 C ATOM 639 O ASP A 47 -14.210 -6.568 -2.520 1.00 0.00 O ATOM 640 CB ASP A 47 -14.845 -8.277 -4.740 1.00 0.00 C ATOM 641 CG ASP A 47 -15.794 -8.198 -5.937 1.00 0.00 C ATOM 642 OD1 ASP A 47 -15.429 -8.556 -7.066 1.00 0.00 O ATOM 643 OD2 ASP A 47 -16.971 -7.740 -5.670 1.00 0.00 O ATOM 0 H ASP A 47 -12.500 -8.835 -5.469 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.008 -6.377 -5.305 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.425 -9.282 -4.694 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.422 -8.131 -3.827 1.00 0.00 H new ATOM 649 N ASN A 48 -12.056 -7.058 -3.004 1.00 0.00 N ATOM 650 CA ASN A 48 -11.574 -6.771 -1.664 1.00 0.00 C ATOM 651 C ASN A 48 -10.912 -5.391 -1.649 1.00 0.00 C ATOM 652 O ASN A 48 -10.998 -4.668 -0.658 1.00 0.00 O ATOM 653 CB ASN A 48 -10.531 -7.800 -1.222 1.00 0.00 C ATOM 654 CG ASN A 48 -11.053 -9.225 -1.411 1.00 0.00 C ATOM 655 OD1 ASN A 48 -12.210 -9.454 -1.727 1.00 0.00 O ATOM 656 ND2 ASN A 48 -10.139 -10.168 -1.202 1.00 0.00 N ATOM 0 H ASN A 48 -11.336 -7.357 -3.661 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.426 -6.805 -0.985 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.615 -7.665 -1.797 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.276 -7.638 -0.175 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.389 -11.152 -1.304 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.188 -9.908 -0.940 1.00 0.00 H new ATOM 663 N HIS A 49 -10.268 -5.068 -2.761 1.00 0.00 N ATOM 664 CA HIS A 49 -9.592 -3.788 -2.888 1.00 0.00 C ATOM 665 C HIS A 49 -10.601 -2.713 -3.296 1.00 0.00 C ATOM 666 O HIS A 49 -10.450 -1.546 -2.937 1.00 0.00 O ATOM 667 CB HIS A 49 -8.412 -3.891 -3.857 1.00 0.00 C ATOM 668 CG HIS A 49 -7.172 -4.503 -3.251 1.00 0.00 C ATOM 669 ND1 HIS A 49 -7.003 -5.870 -3.111 1.00 0.00 N ATOM 670 CD2 HIS A 49 -6.043 -3.923 -2.753 1.00 0.00 C ATOM 671 CE1 HIS A 49 -5.823 -6.090 -2.551 1.00 0.00 C ATOM 672 NE2 HIS A 49 -5.229 -4.882 -2.329 1.00 0.00 N ATOM 0 H HIS A 49 -10.200 -5.670 -3.582 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.173 -3.497 -1.925 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.714 -4.485 -4.719 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.170 -2.894 -4.226 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -7.673 -6.586 -3.391 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.844 -2.862 -2.711 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.404 -7.056 -2.312 1.00 0.00 H new ATOM 680 N LYS A 50 -11.609 -3.144 -4.040 1.00 0.00 N ATOM 681 CA LYS A 50 -12.643 -2.233 -4.500 1.00 0.00 C ATOM 682 C LYS A 50 -13.269 -1.528 -3.295 1.00 0.00 C ATOM 683 O LYS A 50 -13.118 -0.325 -3.092 1.00 0.00 O ATOM 684 CB LYS A 50 -13.658 -2.973 -5.374 1.00 0.00 C ATOM 685 CG LYS A 50 -13.168 -3.070 -6.820 1.00 0.00 C ATOM 686 CD LYS A 50 -14.339 -3.275 -7.784 1.00 0.00 C ATOM 687 CE LYS A 50 -14.937 -4.675 -7.628 1.00 0.00 C ATOM 688 NZ LYS A 50 -16.004 -4.897 -8.630 1.00 0.00 N ATOM 0 H LYS A 50 -11.732 -4.112 -4.336 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.213 -1.459 -5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.826 -3.973 -4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -14.616 -2.453 -5.345 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.628 -2.161 -7.086 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.465 -3.898 -6.915 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.106 -2.524 -7.595 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.000 -3.133 -8.810 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.156 -5.426 -7.747 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.343 -4.794 -6.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.399 -5.852 -8.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.757 -4.192 -8.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.607 -4.804 -9.587 1.00 0.00 H new ATOM 701 N PRO A 51 -13.984 -2.316 -2.488 1.00 0.00 N ATOM 702 CA PRO A 51 -14.660 -1.861 -1.293 1.00 0.00 C ATOM 703 C PRO A 51 -13.901 -0.685 -0.693 1.00 0.00 C ATOM 704 O PRO A 51 -14.536 0.290 -0.294 1.00 0.00 O ATOM 705 CB PRO A 51 -14.641 -3.062 -0.350 1.00 0.00 C ATOM 706 CG PRO A 51 -14.610 -4.277 -1.336 1.00 0.00 C ATOM 707 CD PRO A 51 -14.182 -3.734 -2.697 1.00 0.00 C ATOM 0 HA PRO A 51 -15.677 -1.519 -1.486 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.769 -3.049 0.304 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.521 -3.085 0.293 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.913 -5.039 -0.988 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -15.591 -4.748 -1.399 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.267 -4.214 -3.043 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -14.945 -3.919 -3.453 1.00 0.00 H new ATOM 715 N HIS A 52 -12.582 -0.795 -0.640 1.00 0.00 N ATOM 716 CA HIS A 52 -11.764 0.270 -0.084 1.00 0.00 C ATOM 717 C HIS A 52 -11.583 1.374 -1.128 1.00 0.00 C ATOM 718 O HIS A 52 -11.792 2.550 -0.835 1.00 0.00 O ATOM 719 CB HIS A 52 -10.434 -0.281 0.434 1.00 0.00 C ATOM 720 CG HIS A 52 -10.576 -1.238 1.594 1.00 0.00 C ATOM 721 ND1 HIS A 52 -10.160 -2.556 1.533 1.00 0.00 N ATOM 722 CD2 HIS A 52 -11.091 -1.054 2.843 1.00 0.00 C ATOM 723 CE1 HIS A 52 -10.418 -3.130 2.698 1.00 0.00 C ATOM 724 NE2 HIS A 52 -10.995 -2.198 3.509 1.00 0.00 N ATOM 0 H HIS A 52 -12.059 -1.605 -0.973 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.267 0.710 0.777 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -9.920 -0.789 -0.382 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -9.801 0.552 0.739 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.728 -3.009 0.727 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -11.507 -0.133 3.226 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -10.208 -4.157 2.960 1.00 0.00 H new ATOM 732 N ASP A 53 -11.194 0.956 -2.323 1.00 0.00 N ATOM 733 CA ASP A 53 -10.982 1.895 -3.412 1.00 0.00 C ATOM 734 C ASP A 53 -11.710 3.204 -3.099 1.00 0.00 C ATOM 735 O ASP A 53 -12.935 3.271 -3.177 1.00 0.00 O ATOM 736 CB ASP A 53 -11.537 1.348 -4.728 1.00 0.00 C ATOM 737 CG ASP A 53 -11.402 2.287 -5.928 1.00 0.00 C ATOM 738 OD1 ASP A 53 -12.392 2.614 -6.598 1.00 0.00 O ATOM 739 OD2 ASP A 53 -10.202 2.694 -6.168 1.00 0.00 O ATOM 0 H ASP A 53 -11.020 -0.020 -2.562 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.909 2.057 -3.514 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.027 0.413 -4.959 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.592 1.110 -4.589 1.00 0.00 H new ATOM 745 N GLY A 54 -10.924 4.213 -2.753 1.00 0.00 N ATOM 746 CA GLY A 54 -11.478 5.516 -2.429 1.00 0.00 C ATOM 747 C GLY A 54 -11.759 5.635 -0.930 1.00 0.00 C ATOM 748 O GLY A 54 -12.870 5.978 -0.528 1.00 0.00 O ATOM 0 H GLY A 54 -9.908 4.154 -2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.782 6.297 -2.735 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.400 5.673 -2.989 1.00 0.00 H new ATOM 752 N LEU A 55 -10.733 5.345 -0.143 1.00 0.00 N ATOM 753 CA LEU A 55 -10.856 5.415 1.303 1.00 0.00 C ATOM 754 C LEU A 55 -9.464 5.564 1.922 1.00 0.00 C ATOM 755 O LEU A 55 -9.150 6.598 2.510 1.00 0.00 O ATOM 756 CB LEU A 55 -11.639 4.212 1.833 1.00 0.00 C ATOM 757 CG LEU A 55 -13.151 4.400 1.962 1.00 0.00 C ATOM 758 CD1 LEU A 55 -13.810 3.155 2.560 1.00 0.00 C ATOM 759 CD2 LEU A 55 -13.481 5.663 2.761 1.00 0.00 C ATOM 0 H LEU A 55 -9.813 5.061 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.431 6.294 1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.453 3.364 1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.241 3.948 2.813 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.564 4.534 0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.885 3.316 2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -13.619 2.297 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.396 2.964 3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.563 5.773 2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -13.053 5.584 3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.063 6.533 2.255 1.00 0.00 H new ATOM 771 N LEU A 56 -8.668 4.517 1.768 1.00 0.00 N ATOM 772 CA LEU A 56 -7.317 4.518 2.304 1.00 0.00 C ATOM 773 C LEU A 56 -6.328 4.194 1.183 1.00 0.00 C ATOM 774 O LEU A 56 -6.663 3.477 0.242 1.00 0.00 O ATOM 775 CB LEU A 56 -7.216 3.576 3.505 1.00 0.00 C ATOM 776 CG LEU A 56 -6.977 2.100 3.181 1.00 0.00 C ATOM 777 CD1 LEU A 56 -5.866 1.520 4.059 1.00 0.00 C ATOM 778 CD2 LEU A 56 -8.274 1.297 3.293 1.00 0.00 C ATOM 0 H LEU A 56 -8.932 3.661 1.280 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.058 5.507 2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.406 3.923 4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.137 3.656 4.083 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.642 2.027 2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.716 0.470 3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.941 2.070 3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.149 1.606 5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.076 0.251 3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.663 1.373 4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.009 1.694 2.593 1.00 0.00 H new ATOM 790 N MET A 57 -5.127 4.738 1.321 1.00 0.00 N ATOM 791 CA MET A 57 -4.087 4.515 0.332 1.00 0.00 C ATOM 792 C MET A 57 -3.506 3.105 0.455 1.00 0.00 C ATOM 793 O MET A 57 -3.807 2.386 1.407 1.00 0.00 O ATOM 794 CB MET A 57 -2.971 5.545 0.523 1.00 0.00 C ATOM 795 CG MET A 57 -3.439 6.942 0.110 1.00 0.00 C ATOM 796 SD MET A 57 -2.233 8.161 0.606 1.00 0.00 S ATOM 797 CE MET A 57 -2.935 8.676 2.164 1.00 0.00 C ATOM 0 H MET A 57 -4.852 5.332 2.103 1.00 0.00 H new ATOM 0 HA MET A 57 -4.527 4.621 -0.660 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.656 5.557 1.567 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.102 5.259 -0.069 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.585 6.981 -0.969 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.402 7.163 0.570 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.135 8.954 2.849 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.589 9.533 2.003 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.511 7.856 2.593 1.00 0.00 H new ATOM 807 N CYS A 58 -2.684 2.751 -0.522 1.00 0.00 N ATOM 808 CA CYS A 58 -2.058 1.439 -0.535 1.00 0.00 C ATOM 809 C CYS A 58 -1.196 1.306 0.722 1.00 0.00 C ATOM 810 O CYS A 58 -1.522 0.535 1.624 1.00 0.00 O ATOM 811 CB CYS A 58 -1.245 1.213 -1.811 1.00 0.00 C ATOM 812 SG CYS A 58 -2.068 1.758 -3.352 1.00 0.00 S ATOM 0 H CYS A 58 -2.437 3.349 -1.310 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.827 0.666 -0.531 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.295 1.739 -1.718 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.015 0.151 -1.895 1.00 0.00 H new ATOM 817 N ALA A 59 -0.113 2.069 0.742 1.00 0.00 N ATOM 818 CA ALA A 59 0.798 2.045 1.874 1.00 0.00 C ATOM 819 C ALA A 59 -0.008 1.944 3.170 1.00 0.00 C ATOM 820 O ALA A 59 0.235 1.059 3.990 1.00 0.00 O ATOM 821 CB ALA A 59 1.690 3.287 1.837 1.00 0.00 C ATOM 0 H ALA A 59 0.154 2.707 -0.007 1.00 0.00 H new ATOM 0 HA ALA A 59 1.450 1.173 1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.373 3.269 2.686 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.263 3.296 0.910 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.070 4.182 1.889 1.00 0.00 H new ATOM 827 N ASP A 60 -0.952 2.863 3.316 1.00 0.00 N ATOM 828 CA ASP A 60 -1.795 2.889 4.499 1.00 0.00 C ATOM 829 C ASP A 60 -2.100 1.454 4.934 1.00 0.00 C ATOM 830 O ASP A 60 -2.256 1.182 6.123 1.00 0.00 O ATOM 831 CB ASP A 60 -3.125 3.588 4.212 1.00 0.00 C ATOM 832 CG ASP A 60 -3.013 5.074 3.865 1.00 0.00 C ATOM 833 OD1 ASP A 60 -1.910 5.597 3.645 1.00 0.00 O ATOM 834 OD2 ASP A 60 -4.134 5.711 3.823 1.00 0.00 O ATOM 0 H ASP A 60 -1.151 3.595 2.634 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.263 3.432 5.280 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.618 3.074 3.387 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.770 3.482 5.084 1.00 0.00 H new ATOM 840 N CYS A 61 -2.176 0.573 3.946 1.00 0.00 N ATOM 841 CA CYS A 61 -2.459 -0.827 4.212 1.00 0.00 C ATOM 842 C CYS A 61 -1.169 -1.624 4.013 1.00 0.00 C ATOM 843 O CYS A 61 -0.770 -2.394 4.886 1.00 0.00 O ATOM 844 CB CYS A 61 -3.595 -1.351 3.332 1.00 0.00 C ATOM 845 SG CYS A 61 -5.068 -1.709 4.358 1.00 0.00 S ATOM 0 H CYS A 61 -2.046 0.802 2.961 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.801 -0.943 5.240 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.844 -0.614 2.568 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.276 -2.254 2.812 1.00 0.00 H new ATOM 850 N HIS A 62 -0.552 -1.412 2.860 1.00 0.00 N ATOM 851 CA HIS A 62 0.686 -2.102 2.535 1.00 0.00 C ATOM 852 C HIS A 62 1.874 -1.309 3.083 1.00 0.00 C ATOM 853 O HIS A 62 2.790 -0.962 2.339 1.00 0.00 O ATOM 854 CB HIS A 62 0.786 -2.357 1.030 1.00 0.00 C ATOM 855 CG HIS A 62 -0.245 -3.324 0.501 1.00 0.00 C ATOM 856 ND1 HIS A 62 -0.312 -4.646 0.906 1.00 0.00 N ATOM 857 CD2 HIS A 62 -1.251 -3.148 -0.405 1.00 0.00 C ATOM 858 CE1 HIS A 62 -1.316 -5.229 0.267 1.00 0.00 C ATOM 859 NE2 HIS A 62 -1.895 -4.299 -0.545 1.00 0.00 N ATOM 0 H HIS A 62 -0.886 -0.772 2.139 1.00 0.00 H new ATOM 0 HA HIS A 62 0.697 -3.082 3.012 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.683 -1.408 0.504 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.780 -2.741 0.802 1.00 0.00 H new ATOM 0 HD1 HIS A 62 0.306 -5.095 1.582 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.483 -2.228 -0.920 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.622 -6.260 0.371 1.00 0.00 H new ATOM 867 N ALA A 63 1.821 -1.046 4.380 1.00 0.00 N ATOM 868 CA ALA A 63 2.881 -0.300 5.037 1.00 0.00 C ATOM 869 C ALA A 63 4.231 -0.715 4.447 1.00 0.00 C ATOM 870 O ALA A 63 4.833 -1.713 4.834 1.00 0.00 O ATOM 871 CB ALA A 63 2.809 -0.532 6.547 1.00 0.00 C ATOM 0 H ALA A 63 1.060 -1.336 4.994 1.00 0.00 H new ATOM 0 HA ALA A 63 2.760 0.770 4.866 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.604 0.028 7.039 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.842 -0.195 6.921 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.929 -1.595 6.758 1.00 0.00 H new ATOM 877 N PRO A 64 4.697 0.087 3.487 1.00 0.00 N ATOM 878 CA PRO A 64 5.951 -0.114 2.793 1.00 0.00 C ATOM 879 C PRO A 64 7.104 0.004 3.780 1.00 0.00 C ATOM 880 O PRO A 64 7.888 -0.938 3.892 1.00 0.00 O ATOM 881 CB PRO A 64 6.006 1.002 1.752 1.00 0.00 C ATOM 882 CG PRO A 64 4.528 1.471 1.583 1.00 0.00 C ATOM 883 CD PRO A 64 4.014 1.270 3.007 1.00 0.00 C ATOM 0 HA PRO A 64 6.027 -1.098 2.330 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.644 1.821 2.085 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.416 0.642 0.808 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.456 2.509 1.258 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.982 0.870 0.855 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.235 2.135 3.632 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.933 1.135 3.021 1.00 0.00 H new ATOM 891 N HIS A 65 7.188 1.136 4.463 1.00 0.00 N ATOM 892 CA HIS A 65 8.252 1.350 5.429 1.00 0.00 C ATOM 893 C HIS A 65 7.889 0.672 6.752 1.00 0.00 C ATOM 894 O HIS A 65 7.817 1.327 7.790 1.00 0.00 O ATOM 895 CB HIS A 65 8.549 2.842 5.589 1.00 0.00 C ATOM 896 CG HIS A 65 9.226 3.466 4.392 1.00 0.00 C ATOM 897 ND1 HIS A 65 10.413 2.985 3.867 1.00 0.00 N ATOM 898 CD2 HIS A 65 8.870 4.535 3.624 1.00 0.00 C ATOM 899 CE1 HIS A 65 10.747 3.739 2.830 1.00 0.00 C ATOM 900 NE2 HIS A 65 9.790 4.699 2.681 1.00 0.00 N ATOM 0 H HIS A 65 6.536 1.915 4.367 1.00 0.00 H new ATOM 0 HA HIS A 65 9.173 0.893 5.068 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.615 3.369 5.781 1.00 0.00 H new ATOM 0 HB3 HIS A 65 9.181 2.984 6.466 1.00 0.00 H new ATOM 0 HD1 HIS A 65 10.941 2.186 4.219 1.00 0.00 H new ATOM 0 HD2 HIS A 65 7.989 5.145 3.760 1.00 0.00 H new ATOM 0 HE1 HIS A 65 11.623 3.615 2.211 1.00 0.00 H new ATOM 908 N GLU A 66 7.670 -0.632 6.670 1.00 0.00 N ATOM 909 CA GLU A 66 7.316 -1.406 7.848 1.00 0.00 C ATOM 910 C GLU A 66 7.019 -2.856 7.461 1.00 0.00 C ATOM 911 O GLU A 66 7.691 -3.776 7.925 1.00 0.00 O ATOM 912 CB GLU A 66 6.127 -0.779 8.579 1.00 0.00 C ATOM 913 CG GLU A 66 6.368 -0.745 10.090 1.00 0.00 C ATOM 914 CD GLU A 66 6.769 0.658 10.550 1.00 0.00 C ATOM 915 OE1 GLU A 66 5.941 1.385 11.118 1.00 0.00 O ATOM 916 OE2 GLU A 66 7.991 0.985 10.299 1.00 0.00 O ATOM 0 H GLU A 66 7.731 -1.172 5.807 1.00 0.00 H new ATOM 0 HA GLU A 66 8.165 -1.400 8.532 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.962 0.233 8.211 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.222 -1.348 8.364 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.465 -1.059 10.613 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.152 -1.456 10.353 1.00 0.00 H new ATOM 924 N ALA A 67 6.012 -3.015 6.615 1.00 0.00 N ATOM 925 CA ALA A 67 5.618 -4.338 6.161 1.00 0.00 C ATOM 926 C ALA A 67 6.776 -4.972 5.388 1.00 0.00 C ATOM 927 O ALA A 67 7.758 -4.302 5.073 1.00 0.00 O ATOM 928 CB ALA A 67 4.344 -4.230 5.320 1.00 0.00 C ATOM 0 H ALA A 67 5.457 -2.250 6.232 1.00 0.00 H new ATOM 0 HA ALA A 67 5.395 -4.985 7.009 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.048 -5.222 4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.545 -3.800 5.924 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.531 -3.591 4.457 1.00 0.00 H new ATOM 934 N LYS A 68 6.622 -6.258 5.105 1.00 0.00 N ATOM 935 CA LYS A 68 7.642 -6.990 4.375 1.00 0.00 C ATOM 936 C LYS A 68 6.974 -7.862 3.309 1.00 0.00 C ATOM 937 O LYS A 68 5.988 -8.542 3.588 1.00 0.00 O ATOM 938 CB LYS A 68 8.534 -7.774 5.340 1.00 0.00 C ATOM 939 CG LYS A 68 8.635 -7.064 6.692 1.00 0.00 C ATOM 940 CD LYS A 68 9.915 -7.464 7.427 1.00 0.00 C ATOM 941 CE LYS A 68 9.620 -8.489 8.524 1.00 0.00 C ATOM 942 NZ LYS A 68 10.847 -8.793 9.294 1.00 0.00 N ATOM 0 H LYS A 68 5.806 -6.811 5.368 1.00 0.00 H new ATOM 0 HA LYS A 68 8.305 -6.300 3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.130 -8.777 5.481 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.529 -7.888 4.910 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.620 -5.984 6.542 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.768 -7.313 7.303 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.631 -7.881 6.718 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.378 -6.580 7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.850 -8.103 9.193 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.227 -9.403 8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.629 -9.490 10.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.570 -9.181 8.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.205 -7.922 9.734 1.00 0.00 H new ATOM 955 N VAL A 69 7.539 -7.814 2.112 1.00 0.00 N ATOM 956 CA VAL A 69 7.010 -8.591 1.003 1.00 0.00 C ATOM 957 C VAL A 69 6.555 -9.958 1.517 1.00 0.00 C ATOM 958 O VAL A 69 7.295 -10.637 2.227 1.00 0.00 O ATOM 959 CB VAL A 69 8.053 -8.688 -0.112 1.00 0.00 C ATOM 960 CG1 VAL A 69 7.856 -9.960 -0.938 1.00 0.00 C ATOM 961 CG2 VAL A 69 8.019 -7.445 -1.004 1.00 0.00 C ATOM 0 H VAL A 69 8.358 -7.249 1.885 1.00 0.00 H new ATOM 0 HA VAL A 69 6.138 -8.099 0.572 1.00 0.00 H new ATOM 0 HB VAL A 69 9.037 -8.740 0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.610 -10.004 -1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.954 -10.832 -0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.863 -9.951 -1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.770 -7.539 -1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.032 -7.349 -1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.231 -6.560 -0.404 1.00 0.00 H new ATOM 971 N GLY A 70 5.339 -10.323 1.136 1.00 0.00 N ATOM 972 CA GLY A 70 4.776 -11.597 1.549 1.00 0.00 C ATOM 973 C GLY A 70 4.143 -11.493 2.938 1.00 0.00 C ATOM 974 O GLY A 70 4.224 -12.428 3.733 1.00 0.00 O ATOM 0 H GLY A 70 4.728 -9.758 0.546 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.025 -11.918 0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.556 -12.358 1.557 1.00 0.00 H new ATOM 978 N GLU A 71 3.527 -10.347 3.188 1.00 0.00 N ATOM 979 CA GLU A 71 2.880 -10.108 4.467 1.00 0.00 C ATOM 980 C GLU A 71 1.512 -9.456 4.256 1.00 0.00 C ATOM 981 O GLU A 71 1.422 -8.246 4.053 1.00 0.00 O ATOM 982 CB GLU A 71 3.763 -9.250 5.376 1.00 0.00 C ATOM 983 CG GLU A 71 3.287 -9.322 6.828 1.00 0.00 C ATOM 984 CD GLU A 71 2.462 -8.086 7.196 1.00 0.00 C ATOM 985 OE1 GLU A 71 1.482 -7.768 6.508 1.00 0.00 O ATOM 986 OE2 GLU A 71 2.872 -7.448 8.240 1.00 0.00 O ATOM 0 H GLU A 71 3.462 -9.573 2.526 1.00 0.00 H new ATOM 0 HA GLU A 71 2.730 -11.068 4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.797 -9.590 5.311 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.746 -8.215 5.035 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.688 -10.221 6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.147 -9.401 7.493 1.00 0.00 H new ATOM 994 N LYS A 72 0.481 -10.287 4.312 1.00 0.00 N ATOM 995 CA LYS A 72 -0.878 -9.806 4.130 1.00 0.00 C ATOM 996 C LYS A 72 -1.336 -9.090 5.403 1.00 0.00 C ATOM 997 O LYS A 72 -1.461 -9.680 6.474 1.00 0.00 O ATOM 998 CB LYS A 72 -1.798 -10.951 3.704 1.00 0.00 C ATOM 999 CG LYS A 72 -2.179 -11.824 4.901 1.00 0.00 C ATOM 1000 CD LYS A 72 -2.312 -13.292 4.489 1.00 0.00 C ATOM 1001 CE LYS A 72 -3.354 -14.010 5.349 1.00 0.00 C ATOM 1002 NZ LYS A 72 -3.527 -15.408 4.894 1.00 0.00 N ATOM 0 H LYS A 72 0.560 -11.290 4.481 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.919 -9.076 3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.699 -10.546 3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.301 -11.560 2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.423 -11.728 5.681 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.120 -11.475 5.325 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.597 -13.354 3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.348 -13.790 4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.043 -13.997 6.394 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.306 -13.483 5.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.238 -15.881 5.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.844 -15.414 3.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.621 -15.913 4.970 1.00 0.00 H new ATOM 1015 N PRO A 73 -1.585 -7.787 5.258 1.00 0.00 N ATOM 1016 CA PRO A 73 -2.030 -6.918 6.327 1.00 0.00 C ATOM 1017 C PRO A 73 -3.152 -7.595 7.101 1.00 0.00 C ATOM 1018 O PRO A 73 -3.822 -8.461 6.541 1.00 0.00 O ATOM 1019 CB PRO A 73 -2.532 -5.659 5.624 1.00 0.00 C ATOM 1020 CG PRO A 73 -1.628 -5.593 4.391 1.00 0.00 C ATOM 1021 CD PRO A 73 -1.448 -7.062 4.014 1.00 0.00 C ATOM 0 HA PRO A 73 -1.242 -6.689 7.044 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.585 -5.737 5.353 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.429 -4.774 6.252 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.088 -5.023 3.584 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.675 -5.115 4.615 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.198 -7.378 3.288 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.472 -7.237 3.561 1.00 0.00 H new ATOM 1029 N THR A 74 -3.334 -7.197 8.352 1.00 0.00 N ATOM 1030 CA THR A 74 -4.377 -7.780 9.179 1.00 0.00 C ATOM 1031 C THR A 74 -5.562 -6.820 9.299 1.00 0.00 C ATOM 1032 O THR A 74 -5.377 -5.627 9.533 1.00 0.00 O ATOM 1033 CB THR A 74 -3.758 -8.154 10.527 1.00 0.00 C ATOM 1034 OG1 THR A 74 -3.215 -6.929 11.011 1.00 0.00 O ATOM 1035 CG2 THR A 74 -2.541 -9.069 10.380 1.00 0.00 C ATOM 0 H THR A 74 -2.777 -6.478 8.813 1.00 0.00 H new ATOM 0 HA THR A 74 -4.779 -8.687 8.727 1.00 0.00 H new ATOM 0 HB THR A 74 -4.508 -8.646 11.146 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.827 -6.537 11.668 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.141 -9.303 11.366 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.837 -9.991 9.880 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.776 -8.565 9.789 1.00 0.00 H new ATOM 1043 N CYS A 75 -6.753 -7.376 9.132 1.00 0.00 N ATOM 1044 CA CYS A 75 -7.968 -6.584 9.219 1.00 0.00 C ATOM 1045 C CYS A 75 -8.126 -6.104 10.663 1.00 0.00 C ATOM 1046 O CYS A 75 -8.803 -5.110 10.920 1.00 0.00 O ATOM 1047 CB CYS A 75 -9.191 -7.369 8.741 1.00 0.00 C ATOM 1048 SG CYS A 75 -8.915 -8.380 7.240 1.00 0.00 S ATOM 0 H CYS A 75 -6.902 -8.366 8.937 1.00 0.00 H new ATOM 0 HA CYS A 75 -7.891 -5.722 8.557 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -9.523 -8.023 9.547 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -10.002 -6.667 8.546 1.00 0.00 H new ATOM 1053 N ASP A 76 -7.490 -6.834 11.568 1.00 0.00 N ATOM 1054 CA ASP A 76 -7.552 -6.495 12.980 1.00 0.00 C ATOM 1055 C ASP A 76 -6.831 -5.166 13.213 1.00 0.00 C ATOM 1056 O ASP A 76 -6.905 -4.598 14.302 1.00 0.00 O ATOM 1057 CB ASP A 76 -6.865 -7.562 13.833 1.00 0.00 C ATOM 1058 CG ASP A 76 -6.395 -7.087 15.209 1.00 0.00 C ATOM 1059 OD1 ASP A 76 -7.197 -6.945 16.144 1.00 0.00 O ATOM 1060 OD2 ASP A 76 -5.129 -6.854 15.303 1.00 0.00 O ATOM 0 H ASP A 76 -6.930 -7.658 11.351 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.602 -6.427 13.265 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.554 -8.396 13.969 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.005 -7.946 13.284 1.00 0.00 H new ATOM 1066 N THR A 77 -6.150 -4.708 12.173 1.00 0.00 N ATOM 1067 CA THR A 77 -5.416 -3.457 12.251 1.00 0.00 C ATOM 1068 C THR A 77 -6.318 -2.284 11.861 1.00 0.00 C ATOM 1069 O THR A 77 -5.836 -1.179 11.619 1.00 0.00 O ATOM 1070 CB THR A 77 -4.170 -3.583 11.372 1.00 0.00 C ATOM 1071 OG1 THR A 77 -3.493 -4.725 11.892 1.00 0.00 O ATOM 1072 CG2 THR A 77 -3.183 -2.434 11.586 1.00 0.00 C ATOM 0 H THR A 77 -6.091 -5.181 11.271 1.00 0.00 H new ATOM 0 HA THR A 77 -5.092 -3.252 13.271 1.00 0.00 H new ATOM 0 HB THR A 77 -4.467 -3.615 10.324 1.00 0.00 H new ATOM 0 HG1 THR A 77 -3.092 -5.231 11.155 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.317 -2.573 10.938 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.668 -1.488 11.346 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.859 -2.422 12.627 1.00 0.00 H new ATOM 1080 N CYS A 78 -7.612 -2.565 11.813 1.00 0.00 N ATOM 1081 CA CYS A 78 -8.586 -1.548 11.457 1.00 0.00 C ATOM 1082 C CYS A 78 -9.976 -2.056 11.845 1.00 0.00 C ATOM 1083 O CYS A 78 -10.692 -1.401 12.601 1.00 0.00 O ATOM 1084 CB CYS A 78 -8.506 -1.183 9.973 1.00 0.00 C ATOM 1085 SG CYS A 78 -7.348 0.213 9.733 1.00 0.00 S ATOM 0 H CYS A 78 -8.008 -3.483 12.015 1.00 0.00 H new ATOM 0 HA CYS A 78 -8.371 -0.629 12.002 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -8.173 -2.045 9.395 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -9.495 -0.914 9.603 1.00 0.00 H new ATOM 1090 N HIS A 79 -10.316 -3.220 11.310 1.00 0.00 N ATOM 1091 CA HIS A 79 -11.608 -3.823 11.592 1.00 0.00 C ATOM 1092 C HIS A 79 -11.504 -4.699 12.842 1.00 0.00 C ATOM 1093 O HIS A 79 -10.535 -5.438 13.007 1.00 0.00 O ATOM 1094 CB HIS A 79 -12.126 -4.589 10.373 1.00 0.00 C ATOM 1095 CG HIS A 79 -12.269 -3.743 9.131 1.00 0.00 C ATOM 1096 ND1 HIS A 79 -13.115 -2.650 9.061 1.00 0.00 N ATOM 1097 CD2 HIS A 79 -11.665 -3.841 7.912 1.00 0.00 C ATOM 1098 CE1 HIS A 79 -13.016 -2.122 7.850 1.00 0.00 C ATOM 1099 NE2 HIS A 79 -12.118 -2.861 7.139 1.00 0.00 N ATOM 0 H HIS A 79 -9.720 -3.761 10.684 1.00 0.00 H new ATOM 0 HA HIS A 79 -12.341 -3.043 11.798 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -11.448 -5.415 10.161 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -13.095 -5.026 10.616 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -13.713 -2.309 9.814 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -10.941 -4.589 7.624 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -13.553 -1.257 7.489 1.00 0.00 H new ATOM 1107 N ASP A 80 -12.515 -4.585 13.691 1.00 0.00 N ATOM 1108 CA ASP A 80 -12.549 -5.357 14.921 1.00 0.00 C ATOM 1109 C ASP A 80 -13.871 -6.124 15.000 1.00 0.00 C ATOM 1110 O ASP A 80 -14.455 -6.252 16.075 1.00 0.00 O ATOM 1111 CB ASP A 80 -12.458 -4.445 16.146 1.00 0.00 C ATOM 1112 CG ASP A 80 -11.188 -3.596 16.227 1.00 0.00 C ATOM 1113 OD1 ASP A 80 -10.089 -4.055 15.882 1.00 0.00 O ATOM 1114 OD2 ASP A 80 -11.361 -2.398 16.673 1.00 0.00 O ATOM 0 H ASP A 80 -13.316 -3.970 13.551 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.699 -6.039 14.915 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -13.322 -3.781 16.151 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.524 -5.060 17.044 1.00 0.00 H new ATOM 1120 N ASP A 81 -14.303 -6.615 13.848 1.00 0.00 N ATOM 1121 CA ASP A 81 -15.545 -7.366 13.773 1.00 0.00 C ATOM 1122 C ASP A 81 -15.249 -8.785 13.283 1.00 0.00 C ATOM 1123 O ASP A 81 -16.119 -9.444 12.717 1.00 0.00 O ATOM 1124 CB ASP A 81 -16.521 -6.720 12.789 1.00 0.00 C ATOM 1125 CG ASP A 81 -16.170 -6.910 11.312 1.00 0.00 C ATOM 1126 OD1 ASP A 81 -16.990 -7.397 10.518 1.00 0.00 O ATOM 1127 OD2 ASP A 81 -14.983 -6.529 10.980 1.00 0.00 O ATOM 0 H ASP A 81 -13.815 -6.508 12.959 1.00 0.00 H new ATOM 0 HA ASP A 81 -15.992 -7.379 14.767 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -17.516 -7.129 12.966 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -16.573 -5.652 13.000 1.00 0.00 H new ATOM 1133 N GLY A 82 -14.017 -9.213 13.518 1.00 0.00 N ATOM 1134 CA GLY A 82 -13.595 -10.542 13.108 1.00 0.00 C ATOM 1135 C GLY A 82 -13.157 -10.549 11.642 1.00 0.00 C ATOM 1136 O GLY A 82 -12.635 -11.549 11.151 1.00 0.00 O ATOM 0 H GLY A 82 -13.297 -8.663 13.987 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.772 -10.877 13.739 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.413 -11.248 13.250 1.00 0.00 H new ATOM 1140 N ARG A 83 -13.387 -9.423 10.983 1.00 0.00 N ATOM 1141 CA ARG A 83 -13.022 -9.287 9.583 1.00 0.00 C ATOM 1142 C ARG A 83 -11.757 -10.093 9.283 1.00 0.00 C ATOM 1143 O ARG A 83 -10.740 -9.931 9.955 1.00 0.00 O ATOM 1144 CB ARG A 83 -12.783 -7.821 9.216 1.00 0.00 C ATOM 1145 CG ARG A 83 -13.678 -7.395 8.050 1.00 0.00 C ATOM 1146 CD ARG A 83 -15.138 -7.767 8.315 1.00 0.00 C ATOM 1147 NE ARG A 83 -15.983 -6.552 8.282 1.00 0.00 N ATOM 1148 CZ ARG A 83 -16.548 -6.053 7.163 1.00 0.00 C ATOM 1149 NH1 ARG A 83 -16.363 -6.661 5.972 1.00 0.00 N ATOM 1150 NH2 ARG A 83 -17.285 -4.961 7.250 1.00 0.00 N ATOM 0 H ARG A 83 -13.822 -8.596 11.393 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.850 -9.669 8.986 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -12.981 -7.189 10.081 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -11.737 -7.675 8.948 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -13.595 -6.319 7.898 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.338 -7.874 7.132 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.482 -8.480 7.566 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.227 -8.256 9.285 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.149 -6.061 9.161 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -15.792 -7.504 5.913 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -16.794 -6.277 5.131 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -17.420 -4.508 8.154 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -17.719 -4.571 6.414 1.00 0.00 H new ATOM 1160 N THR A 84 -11.862 -10.945 8.274 1.00 0.00 N ATOM 1161 CA THR A 84 -10.739 -11.778 7.877 1.00 0.00 C ATOM 1162 C THR A 84 -10.418 -11.569 6.396 1.00 0.00 C ATOM 1163 O THR A 84 -11.274 -11.134 5.627 1.00 0.00 O ATOM 1164 CB THR A 84 -11.078 -13.228 8.227 1.00 0.00 C ATOM 1165 OG1 THR A 84 -12.449 -13.361 7.861 1.00 0.00 O ATOM 1166 CG2 THR A 84 -11.068 -13.484 9.735 1.00 0.00 C ATOM 0 H THR A 84 -12.708 -11.077 7.719 1.00 0.00 H new ATOM 0 HA THR A 84 -9.832 -11.503 8.416 1.00 0.00 H new ATOM 0 HB THR A 84 -10.366 -13.895 7.741 1.00 0.00 H new ATOM 0 HG1 THR A 84 -12.752 -14.273 8.053 1.00 0.00 H new ATOM 0 HG21 THR A 84 -11.315 -14.528 9.928 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.078 -13.265 10.135 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.804 -12.842 10.218 1.00 0.00 H new ATOM 1174 N ALA A 85 -9.182 -11.888 6.041 1.00 0.00 N ATOM 1175 CA ALA A 85 -8.737 -11.741 4.665 1.00 0.00 C ATOM 1176 C ALA A 85 -9.295 -12.894 3.827 1.00 0.00 C ATOM 1177 O ALA A 85 -9.480 -14.000 4.332 1.00 0.00 O ATOM 1178 CB ALA A 85 -7.209 -11.679 4.627 1.00 0.00 C ATOM 0 H ALA A 85 -8.475 -12.248 6.682 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.112 -10.811 4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.875 -11.569 3.595 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.865 -10.827 5.213 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.797 -12.597 5.046 1.00 0.00 H new ATOM 1184 N LYS A 86 -9.547 -12.595 2.561 1.00 0.00 N ATOM 1185 CA LYS A 86 -10.079 -13.592 1.649 1.00 0.00 C ATOM 1186 C LYS A 86 -9.092 -13.804 0.499 1.00 0.00 C ATOM 1187 O LYS A 86 -9.204 -14.775 -0.249 1.00 0.00 O ATOM 1188 CB LYS A 86 -11.485 -13.201 1.188 1.00 0.00 C ATOM 1189 CG LYS A 86 -12.437 -14.396 1.257 1.00 0.00 C ATOM 1190 CD LYS A 86 -12.477 -15.143 -0.078 1.00 0.00 C ATOM 1191 CE LYS A 86 -11.708 -16.463 0.009 1.00 0.00 C ATOM 1192 NZ LYS A 86 -11.670 -17.129 -1.312 1.00 0.00 N ATOM 0 H LYS A 86 -9.392 -11.676 2.146 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.190 -14.551 2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.865 -12.393 1.813 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.444 -12.822 0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.118 -15.075 2.048 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.439 -14.053 1.516 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.512 -15.339 -0.358 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.047 -14.519 -0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.692 -16.277 0.358 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.181 -17.119 0.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.144 -18.023 -1.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.641 -17.324 -1.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.198 -16.508 -2.000 1.00 0.00 H new TER 1205 LYS A 86 HETATM 1206 FE HEM A 218 9.762 5.985 1.312 1.00 0.00 FE HETATM 1207 CHA HEM A 218 7.787 7.999 3.432 1.00 0.00 C HETATM 1208 CHB HEM A 218 12.577 7.391 2.789 1.00 0.00 C HETATM 1209 CHC HEM A 218 11.718 4.173 -0.765 1.00 0.00 C HETATM 1210 CHD HEM A 218 6.895 4.826 -0.154 1.00 0.00 C HETATM 1211 NA HEM A 218 10.100 7.442 2.779 1.00 0.00 N HETATM 1212 C1A HEM A 218 9.168 8.080 3.578 1.00 0.00 C HETATM 1213 C2A HEM A 218 9.832 8.854 4.601 1.00 0.00 C HETATM 1214 C3A HEM A 218 11.160 8.688 4.426 1.00 0.00 C HETATM 1215 C4A HEM A 218 11.332 7.809 3.293 1.00 0.00 C HETATM 1216 CMA HEM A 218 12.280 9.281 5.229 1.00 0.00 C HETATM 1217 CAA HEM A 218 9.134 9.676 5.645 1.00 0.00 C HETATM 1218 CBA HEM A 218 10.013 10.044 6.836 1.00 0.00 C HETATM 1219 CGA HEM A 218 9.175 10.279 8.084 1.00 0.00 C HETATM 1220 O1A HEM A 218 9.121 11.450 8.519 1.00 0.00 O HETATM 1221 O2A HEM A 218 8.603 9.285 8.580 1.00 0.00 O HETATM 1222 NB HEM A 218 11.734 5.879 1.031 1.00 0.00 N HETATM 1223 C1B HEM A 218 12.745 6.422 1.805 1.00 0.00 C HETATM 1224 C2B HEM A 218 14.017 5.839 1.449 1.00 0.00 C HETATM 1225 C3B HEM A 218 13.782 4.946 0.464 1.00 0.00 C HETATM 1226 C4B HEM A 218 12.363 4.968 0.201 1.00 0.00 C HETATM 1227 CMB HEM A 218 15.331 6.191 2.084 1.00 0.00 C HETATM 1228 CAB HEM A 218 14.775 4.076 -0.250 1.00 0.00 C HETATM 1229 CBB HEM A 218 15.490 3.077 0.656 1.00 0.00 C HETATM 1230 NC HEM A 218 9.368 4.678 -0.093 1.00 0.00 N HETATM 1231 C1C HEM A 218 10.296 4.084 -0.929 1.00 0.00 C HETATM 1232 C2C HEM A 218 9.632 3.439 -2.037 1.00 0.00 C HETATM 1233 C3C HEM A 218 8.307 3.639 -1.877 1.00 0.00 C HETATM 1234 C4C HEM A 218 8.137 4.410 -0.668 1.00 0.00 C HETATM 1235 CMC HEM A 218 10.327 2.695 -3.140 1.00 0.00 C HETATM 1236 CAC HEM A 218 7.188 3.170 -2.760 1.00 0.00 C HETATM 1237 CBC HEM A 218 7.255 1.687 -3.112 1.00 0.00 C HETATM 1238 ND HEM A 218 7.757 6.327 1.604 1.00 0.00 N HETATM 1239 C1D HEM A 218 6.735 5.771 0.854 1.00 0.00 C HETATM 1240 C2D HEM A 218 5.461 6.312 1.264 1.00 0.00 C HETATM 1241 C3D HEM A 218 5.704 7.192 2.258 1.00 0.00 C HETATM 1242 C4D HEM A 218 7.132 7.205 2.473 1.00 0.00 C HETATM 1243 CMD HEM A 218 4.136 5.936 0.667 1.00 0.00 C HETATM 1244 CAD HEM A 218 4.713 8.021 3.022 1.00 0.00 C HETATM 1245 CBD HEM A 218 3.466 8.389 2.224 1.00 0.00 C HETATM 1246 CGD HEM A 218 2.267 7.565 2.672 1.00 0.00 C HETATM 1247 O1D HEM A 218 1.506 7.137 1.777 1.00 0.00 O HETATM 1248 O2D HEM A 218 2.133 7.379 3.901 1.00 0.00 O HETATM 0 HMA1 HEM A 218 11.970 10.246 5.629 1.00 0.00 H new HETATM 0 HMA2 HEM A 218 13.153 9.416 4.591 1.00 0.00 H new HETATM 0 HMA3 HEM A 218 12.532 8.612 6.052 1.00 0.00 H new HETATM 0 HMB1 HEM A 218 15.308 7.229 2.417 1.00 0.00 H new HETATM 0 HMB2 HEM A 218 16.133 6.061 1.357 1.00 0.00 H new HETATM 0 HMB3 HEM A 218 15.508 5.539 2.939 1.00 0.00 H new HETATM 0 HMC1 HEM A 218 11.315 3.126 -3.303 1.00 0.00 H new HETATM 0 HMC2 HEM A 218 9.741 2.772 -4.056 1.00 0.00 H new HETATM 0 HMC3 HEM A 218 10.430 1.646 -2.863 1.00 0.00 H new HETATM 0 HMD1 HEM A 218 3.356 6.030 1.423 1.00 0.00 H new HETATM 0 HMD2 HEM A 218 4.176 4.906 0.313 1.00 0.00 H new HETATM 0 HMD3 HEM A 218 3.912 6.599 -0.169 1.00 0.00 H new HETATM 0 HBB1 HEM A 218 16.232 2.396 0.238 1.00 0.00 H new HETATM 0 HBB2 HEM A 218 15.259 3.044 1.721 1.00 0.00 H new HETATM 0 HBC1 HEM A 218 6.490 1.243 -3.749 1.00 0.00 H new HETATM 0 HBC2 HEM A 218 8.068 1.072 -2.727 1.00 0.00 H new HETATM 0 HBA1 HEM A 218 10.586 10.942 6.605 1.00 0.00 H new HETATM 0 HBA2 HEM A 218 10.732 9.246 7.022 1.00 0.00 H new HETATM 0 HAA1 HEM A 218 8.265 9.126 6.005 1.00 0.00 H new HETATM 0 HAA2 HEM A 218 8.763 10.591 5.184 1.00 0.00 H new HETATM 0 HBD1 HEM A 218 3.648 8.224 1.162 1.00 0.00 H new HETATM 0 HBD2 HEM A 218 3.250 9.450 2.350 1.00 0.00 H new HETATM 0 HAD1 HEM A 218 5.201 8.936 3.356 1.00 0.00 H new HETATM 0 HAD2 HEM A 218 4.412 7.476 3.916 1.00 0.00 H new HETATM 0 HHA HEM A 218 7.175 8.586 4.101 1.00 0.00 H new HETATM 0 HHB HEM A 218 13.464 7.855 3.194 1.00 0.00 H new HETATM 0 HHC HEM A 218 12.338 3.589 -1.429 1.00 0.00 H new HETATM 0 HHD HEM A 218 6.004 4.381 -0.571 1.00 0.00 H new HETATM 0 HAB HEM A 218 14.968 4.151 -1.320 1.00 0.00 H new HETATM 0 HAC HEM A 218 6.398 3.830 -3.118 1.00 0.00 H new HETATM 1249 FE HEM A 238 4.352 -2.302 -6.831 1.00 0.00 FE HETATM 1250 CHA HEM A 238 4.590 -5.803 -6.536 1.00 0.00 C HETATM 1251 CHB HEM A 238 2.635 -2.366 -3.691 1.00 0.00 C HETATM 1252 CHC HEM A 238 4.084 1.094 -6.798 1.00 0.00 C HETATM 1253 CHD HEM A 238 6.044 -2.378 -9.679 1.00 0.00 C HETATM 1254 NA HEM A 238 3.738 -3.789 -5.393 1.00 0.00 N HETATM 1255 C1A HEM A 238 3.937 -5.155 -5.492 1.00 0.00 C HETATM 1256 C2A HEM A 238 3.367 -5.829 -4.349 1.00 0.00 C HETATM 1257 C3A HEM A 238 2.824 -4.879 -3.559 1.00 0.00 C HETATM 1258 C4A HEM A 238 3.053 -3.608 -4.204 1.00 0.00 C HETATM 1259 CMA HEM A 238 2.111 -5.062 -2.251 1.00 0.00 C HETATM 1260 CAA HEM A 238 3.396 -7.312 -4.124 1.00 0.00 C HETATM 1261 CBA HEM A 238 3.108 -7.727 -2.684 1.00 0.00 C HETATM 1262 CGA HEM A 238 3.269 -9.230 -2.504 1.00 0.00 C HETATM 1263 O1A HEM A 238 4.186 -9.784 -3.149 1.00 0.00 O HETATM 1264 O2A HEM A 238 2.473 -9.797 -1.725 1.00 0.00 O HETATM 1265 NB HEM A 238 3.442 -0.937 -5.534 1.00 0.00 N HETATM 1266 C1B HEM A 238 2.949 -1.134 -4.255 1.00 0.00 C HETATM 1267 C2B HEM A 238 2.803 0.131 -3.575 1.00 0.00 C HETATM 1268 C3B HEM A 238 3.204 1.093 -4.433 1.00 0.00 C HETATM 1269 C4B HEM A 238 3.602 0.432 -5.654 1.00 0.00 C HETATM 1270 CMB HEM A 238 2.296 0.298 -2.172 1.00 0.00 C HETATM 1271 CAB HEM A 238 3.246 2.576 -4.206 1.00 0.00 C HETATM 1272 CBB HEM A 238 3.769 2.979 -2.830 1.00 0.00 C HETATM 1273 NC HEM A 238 4.929 -0.939 -7.999 1.00 0.00 N HETATM 1274 C1C HEM A 238 4.608 0.407 -7.976 1.00 0.00 C HETATM 1275 C2C HEM A 238 5.032 1.044 -9.201 1.00 0.00 C HETATM 1276 C3C HEM A 238 5.608 0.091 -9.965 1.00 0.00 C HETATM 1277 C4C HEM A 238 5.546 -1.145 -9.221 1.00 0.00 C HETATM 1278 CMC HEM A 238 4.846 2.498 -9.522 1.00 0.00 C HETATM 1279 CAC HEM A 238 6.210 0.241 -11.332 1.00 0.00 C HETATM 1280 CBC HEM A 238 7.107 1.466 -11.483 1.00 0.00 C HETATM 1281 ND HEM A 238 5.170 -3.785 -7.851 1.00 0.00 N HETATM 1282 C1D HEM A 238 5.791 -3.605 -9.074 1.00 0.00 C HETATM 1283 C2D HEM A 238 6.147 -4.881 -9.648 1.00 0.00 C HETATM 1284 C3D HEM A 238 5.745 -5.833 -8.779 1.00 0.00 C HETATM 1285 C4D HEM A 238 5.137 -5.155 -7.659 1.00 0.00 C HETATM 1286 CMD HEM A 238 6.835 -5.067 -10.969 1.00 0.00 C HETATM 1287 CAD HEM A 238 5.884 -7.322 -8.910 1.00 0.00 C HETATM 1288 CBD HEM A 238 4.572 -8.043 -9.206 1.00 0.00 C HETATM 1289 CGD HEM A 238 3.715 -7.245 -10.179 1.00 0.00 C HETATM 1290 O1D HEM A 238 3.105 -6.256 -9.718 1.00 0.00 O HETATM 1291 O2D HEM A 238 3.686 -7.639 -11.365 1.00 0.00 O HETATM 0 HMA1 HEM A 238 2.262 -4.180 -1.628 1.00 0.00 H new HETATM 0 HMA2 HEM A 238 2.507 -5.939 -1.740 1.00 0.00 H new HETATM 0 HMA3 HEM A 238 1.045 -5.199 -2.434 1.00 0.00 H new HETATM 0 HMB1 HEM A 238 1.593 -0.503 -1.941 1.00 0.00 H new HETATM 0 HMB2 HEM A 238 1.793 1.260 -2.079 1.00 0.00 H new HETATM 0 HMB3 HEM A 238 3.133 0.258 -1.475 1.00 0.00 H new HETATM 0 HMC1 HEM A 238 5.652 2.832 -10.175 1.00 0.00 H new HETATM 0 HMC2 HEM A 238 4.861 3.079 -8.600 1.00 0.00 H new HETATM 0 HMC3 HEM A 238 3.889 2.640 -10.025 1.00 0.00 H new HETATM 0 HMD1 HEM A 238 6.562 -4.252 -11.639 1.00 0.00 H new HETATM 0 HMD2 HEM A 238 6.528 -6.016 -11.409 1.00 0.00 H new HETATM 0 HMD3 HEM A 238 7.915 -5.069 -10.820 1.00 0.00 H new HETATM 0 HBB1 HEM A 238 3.841 4.033 -2.561 1.00 0.00 H new HETATM 0 HBB2 HEM A 238 4.071 2.213 -2.116 1.00 0.00 H new HETATM 0 HBC1 HEM A 238 7.595 1.670 -12.436 1.00 0.00 H new HETATM 0 HBC2 HEM A 238 7.260 2.137 -10.638 1.00 0.00 H new HETATM 0 HBA1 HEM A 238 2.094 -7.432 -2.413 1.00 0.00 H new HETATM 0 HBA2 HEM A 238 3.784 -7.202 -2.009 1.00 0.00 H new HETATM 0 HAA1 HEM A 238 4.375 -7.694 -4.412 1.00 0.00 H new HETATM 0 HAA2 HEM A 238 2.664 -7.783 -4.780 1.00 0.00 H new HETATM 0 HBD1 HEM A 238 4.023 -8.201 -8.278 1.00 0.00 H new HETATM 0 HBD2 HEM A 238 4.781 -9.028 -9.624 1.00 0.00 H new HETATM 0 HAD1 HEM A 238 6.306 -7.720 -7.987 1.00 0.00 H new HETATM 0 HAD2 HEM A 238 6.595 -7.542 -9.706 1.00 0.00 H new HETATM 0 HHA HEM A 238 4.683 -6.878 -6.481 1.00 0.00 H new HETATM 0 HHB HEM A 238 2.028 -2.370 -2.797 1.00 0.00 H new HETATM 0 HHC HEM A 238 4.066 2.174 -6.806 1.00 0.00 H new HETATM 0 HHD HEM A 238 6.666 -2.372 -10.562 1.00 0.00 H new HETATM 0 HAB HEM A 238 2.931 3.301 -4.957 1.00 0.00 H new HETATM 0 HAC HEM A 238 6.023 -0.462 -12.144 1.00 0.00 H new HETATM 1292 FE HEM A 261 -3.397 -4.609 -1.612 1.00 0.00 FE HETATM 1293 CHA HEM A 261 -2.912 -7.971 -1.744 1.00 0.00 C HETATM 1294 CHB HEM A 261 -1.898 -4.092 -4.510 1.00 0.00 C HETATM 1295 CHC HEM A 261 -4.323 -1.231 -1.402 1.00 0.00 C HETATM 1296 CHD HEM A 261 -4.966 -5.067 1.583 1.00 0.00 C HETATM 1297 NA HEM A 261 -2.590 -5.782 -2.836 1.00 0.00 N HETATM 1298 C1A HEM A 261 -2.457 -7.159 -2.778 1.00 0.00 C HETATM 1299 C2A HEM A 261 -1.772 -7.646 -3.951 1.00 0.00 C HETATM 1300 C3A HEM A 261 -1.489 -6.573 -4.720 1.00 0.00 C HETATM 1301 C4A HEM A 261 -1.997 -5.411 -4.030 1.00 0.00 C HETATM 1302 CMA HEM A 261 -0.784 -6.546 -6.045 1.00 0.00 C HETATM 1303 CAA HEM A 261 -1.454 -9.088 -4.224 1.00 0.00 C HETATM 1304 CBA HEM A 261 -1.475 -9.459 -5.704 1.00 0.00 C HETATM 1305 CGA HEM A 261 -0.072 -9.753 -6.215 1.00 0.00 C HETATM 1306 O1A HEM A 261 0.881 -9.269 -5.566 1.00 0.00 O HETATM 1307 O2A HEM A 261 0.022 -10.456 -7.244 1.00 0.00 O HETATM 1308 NB HEM A 261 -3.177 -2.999 -2.705 1.00 0.00 N HETATM 1309 C1B HEM A 261 -2.492 -2.987 -3.908 1.00 0.00 C HETATM 1310 C2B HEM A 261 -2.476 -1.654 -4.463 1.00 0.00 C HETATM 1311 C3B HEM A 261 -3.147 -0.859 -3.604 1.00 0.00 C HETATM 1312 C4B HEM A 261 -3.586 -1.691 -2.508 1.00 0.00 C HETATM 1313 CMB HEM A 261 -1.821 -1.271 -5.758 1.00 0.00 C HETATM 1314 CAB HEM A 261 -3.412 0.614 -3.723 1.00 0.00 C HETATM 1315 CBB HEM A 261 -4.057 1.024 -5.044 1.00 0.00 C HETATM 1316 NC HEM A 261 -4.531 -3.415 -0.211 1.00 0.00 N HETATM 1317 C1C HEM A 261 -4.741 -2.050 -0.305 1.00 0.00 C HETATM 1318 C2C HEM A 261 -5.332 -1.549 0.913 1.00 0.00 C HETATM 1319 C3C HEM A 261 -5.482 -2.602 1.745 1.00 0.00 C HETATM 1320 C4C HEM A 261 -4.984 -3.766 1.049 1.00 0.00 C HETATM 1321 CMC HEM A 261 -5.696 -0.115 1.164 1.00 0.00 C HETATM 1322 CAC HEM A 261 -6.050 -2.610 3.134 1.00 0.00 C HETATM 1323 CBC HEM A 261 -7.440 -1.988 3.239 1.00 0.00 C HETATM 1324 ND HEM A 261 -3.878 -6.181 -0.331 1.00 0.00 N HETATM 1325 C1D HEM A 261 -4.467 -6.185 0.922 1.00 0.00 C HETATM 1326 C2D HEM A 261 -4.495 -7.525 1.458 1.00 0.00 C HETATM 1327 C3D HEM A 261 -3.926 -8.332 0.538 1.00 0.00 C HETATM 1328 C4D HEM A 261 -3.541 -7.500 -0.577 1.00 0.00 C HETATM 1329 CMD HEM A 261 -5.061 -7.903 2.796 1.00 0.00 C HETATM 1330 CAD HEM A 261 -3.713 -9.816 0.616 1.00 0.00 C HETATM 1331 CBD HEM A 261 -4.941 -10.596 1.078 1.00 0.00 C HETATM 1332 CGD HEM A 261 -4.551 -11.722 2.025 1.00 0.00 C HETATM 1333 O1D HEM A 261 -4.755 -11.535 3.244 1.00 0.00 O HETATM 1334 O2D HEM A 261 -4.057 -12.749 1.512 1.00 0.00 O HETATM 0 HMA1 HEM A 261 -0.073 -7.370 -6.095 1.00 0.00 H new HETATM 0 HMA2 HEM A 261 -0.253 -5.601 -6.155 1.00 0.00 H new HETATM 0 HMA3 HEM A 261 -1.514 -6.647 -6.848 1.00 0.00 H new HETATM 0 HMB1 HEM A 261 -2.358 -0.434 -6.204 1.00 0.00 H new HETATM 0 HMB2 HEM A 261 -1.841 -2.120 -6.441 1.00 0.00 H new HETATM 0 HMB3 HEM A 261 -0.787 -0.980 -5.571 1.00 0.00 H new HETATM 0 HMC1 HEM A 261 -6.547 -0.069 1.844 1.00 0.00 H new HETATM 0 HMC2 HEM A 261 -5.959 0.364 0.221 1.00 0.00 H new HETATM 0 HMC3 HEM A 261 -4.847 0.403 1.609 1.00 0.00 H new HETATM 0 HMD1 HEM A 261 -4.952 -7.067 3.487 1.00 0.00 H new HETATM 0 HMD2 HEM A 261 -4.526 -8.768 3.186 1.00 0.00 H new HETATM 0 HMD3 HEM A 261 -6.117 -8.148 2.688 1.00 0.00 H new HETATM 0 HBB1 HEM A 261 -4.292 2.071 -5.234 1.00 0.00 H new HETATM 0 HBB2 HEM A 261 -4.283 0.270 -5.798 1.00 0.00 H new HETATM 0 HBC1 HEM A 261 -7.945 -1.942 4.204 1.00 0.00 H new HETATM 0 HBC2 HEM A 261 -7.927 -1.589 2.349 1.00 0.00 H new HETATM 0 HBA1 HEM A 261 -1.912 -8.644 -6.280 1.00 0.00 H new HETATM 0 HBA2 HEM A 261 -2.110 -10.332 -5.854 1.00 0.00 H new HETATM 0 HAA1 HEM A 261 -2.171 -9.714 -3.693 1.00 0.00 H new HETATM 0 HAA2 HEM A 261 -0.469 -9.315 -3.817 1.00 0.00 H new HETATM 0 HBD1 HEM A 261 -5.461 -11.008 0.213 1.00 0.00 H new HETATM 0 HBD2 HEM A 261 -5.637 -9.922 1.577 1.00 0.00 H new HETATM 0 HAD1 HEM A 261 -2.888 -10.019 1.299 1.00 0.00 H new HETATM 0 HAD2 HEM A 261 -3.411 -10.181 -0.366 1.00 0.00 H new HETATM 0 HHA HEM A 261 -2.773 -9.037 -1.844 1.00 0.00 H new HETATM 0 HHB HEM A 261 -1.321 -3.926 -5.408 1.00 0.00 H new HETATM 0 HHC HEM A 261 -4.593 -0.185 -1.379 1.00 0.00 H new HETATM 0 HHD HEM A 261 -5.368 -5.208 2.576 1.00 0.00 H new HETATM 0 HAB HEM A 261 -3.166 1.327 -2.936 1.00 0.00 H new HETATM 0 HAC HEM A 261 -5.518 -3.023 3.991 1.00 0.00 H new HETATM 1335 FE HEM A 278 -11.491 -2.471 5.413 1.00 0.00 FE HETATM 1336 CHA HEM A 278 -14.590 -0.975 4.749 1.00 0.00 C HETATM 1337 CHB HEM A 278 -12.920 -5.516 4.194 1.00 0.00 C HETATM 1338 CHC HEM A 278 -8.659 -4.204 6.156 1.00 0.00 C HETATM 1339 CHD HEM A 278 -10.251 0.443 6.447 1.00 0.00 C HETATM 1340 NA HEM A 278 -13.386 -3.125 4.647 1.00 0.00 N HETATM 1341 C1A HEM A 278 -14.494 -2.325 4.428 1.00 0.00 C HETATM 1342 C2A HEM A 278 -15.553 -3.091 3.814 1.00 0.00 C HETATM 1343 C3A HEM A 278 -15.093 -4.350 3.658 1.00 0.00 C HETATM 1344 C4A HEM A 278 -13.745 -4.377 4.175 1.00 0.00 C HETATM 1345 CMA HEM A 278 -15.809 -5.529 3.067 1.00 0.00 C HETATM 1346 CAA HEM A 278 -16.899 -2.545 3.435 1.00 0.00 C HETATM 1347 CBA HEM A 278 -18.029 -2.983 4.362 1.00 0.00 C HETATM 1348 CGA HEM A 278 -19.383 -2.553 3.816 1.00 0.00 C HETATM 1349 O1A HEM A 278 -19.982 -1.646 4.434 1.00 0.00 O HETATM 1350 O2A HEM A 278 -19.794 -3.139 2.792 1.00 0.00 O HETATM 1351 NB HEM A 278 -10.918 -4.454 5.169 1.00 0.00 N HETATM 1352 C1B HEM A 278 -11.638 -5.553 4.733 1.00 0.00 C HETATM 1353 C2B HEM A 278 -10.868 -6.761 4.914 1.00 0.00 C HETATM 1354 C3B HEM A 278 -9.686 -6.401 5.458 1.00 0.00 C HETATM 1355 C4B HEM A 278 -9.713 -4.966 5.619 1.00 0.00 C HETATM 1356 CMB HEM A 278 -11.336 -8.140 4.551 1.00 0.00 C HETATM 1357 CAB HEM A 278 -8.536 -7.287 5.839 1.00 0.00 C HETATM 1358 CBB HEM A 278 -7.985 -8.119 4.685 1.00 0.00 C HETATM 1359 NC HEM A 278 -9.718 -1.935 6.000 1.00 0.00 N HETATM 1360 C1C HEM A 278 -8.645 -2.740 6.343 1.00 0.00 C HETATM 1361 C2C HEM A 278 -7.681 -1.989 7.111 1.00 0.00 C HETATM 1362 C3C HEM A 278 -8.163 -0.734 7.236 1.00 0.00 C HETATM 1363 C4C HEM A 278 -9.431 -0.696 6.546 1.00 0.00 C HETATM 1364 CMC HEM A 278 -6.394 -2.542 7.651 1.00 0.00 C HETATM 1365 CAC HEM A 278 -7.536 0.430 7.946 1.00 0.00 C HETATM 1366 CBC HEM A 278 -6.130 0.770 7.460 1.00 0.00 C HETATM 1367 ND HEM A 278 -12.248 -0.636 5.480 1.00 0.00 N HETATM 1368 C1D HEM A 278 -11.598 0.417 6.100 1.00 0.00 C HETATM 1369 C2D HEM A 278 -12.519 1.502 6.342 1.00 0.00 C HETATM 1370 C3D HEM A 278 -13.724 1.112 5.873 1.00 0.00 C HETATM 1371 C4D HEM A 278 -13.559 -0.218 5.335 1.00 0.00 C HETATM 1372 CMD HEM A 278 -12.160 2.803 6.998 1.00 0.00 C HETATM 1373 CAD HEM A 278 -15.013 1.880 5.885 1.00 0.00 C HETATM 1374 CBD HEM A 278 -15.052 3.011 6.908 1.00 0.00 C HETATM 1375 CGD HEM A 278 -16.482 3.327 7.323 1.00 0.00 C HETATM 1376 O1D HEM A 278 -17.251 3.746 6.431 1.00 0.00 O HETATM 1377 O2D HEM A 278 -16.778 3.143 8.523 1.00 0.00 O HETATM 0 HMA1 HEM A 278 -16.880 -5.431 3.244 1.00 0.00 H new HETATM 0 HMA2 HEM A 278 -15.447 -6.446 3.533 1.00 0.00 H new HETATM 0 HMA3 HEM A 278 -15.621 -5.568 1.994 1.00 0.00 H new HETATM 0 HMB1 HEM A 278 -12.420 -8.193 4.647 1.00 0.00 H new HETATM 0 HMB2 HEM A 278 -10.876 -8.868 5.219 1.00 0.00 H new HETATM 0 HMB3 HEM A 278 -11.052 -8.362 3.522 1.00 0.00 H new HETATM 0 HMC1 HEM A 278 -6.514 -3.605 7.861 1.00 0.00 H new HETATM 0 HMC2 HEM A 278 -6.130 -2.018 8.570 1.00 0.00 H new HETATM 0 HMC3 HEM A 278 -5.602 -2.405 6.915 1.00 0.00 H new HETATM 0 HMD1 HEM A 278 -12.799 3.595 6.608 1.00 0.00 H new HETATM 0 HMD2 HEM A 278 -11.117 3.041 6.787 1.00 0.00 H new HETATM 0 HMD3 HEM A 278 -12.302 2.719 8.075 1.00 0.00 H new HETATM 0 HBB1 HEM A 278 -7.148 -8.797 4.853 1.00 0.00 H new HETATM 0 HBB2 HEM A 278 -8.428 -8.035 3.693 1.00 0.00 H new HETATM 0 HBC1 HEM A 278 -5.584 1.599 7.909 1.00 0.00 H new HETATM 0 HBC2 HEM A 278 -5.672 0.184 6.663 1.00 0.00 H new HETATM 0 HBA1 HEM A 278 -17.879 -2.552 5.352 1.00 0.00 H new HETATM 0 HBA2 HEM A 278 -18.008 -4.066 4.479 1.00 0.00 H new HETATM 0 HAA1 HEM A 278 -17.134 -2.859 2.418 1.00 0.00 H new HETATM 0 HAA2 HEM A 278 -16.849 -1.456 3.428 1.00 0.00 H new HETATM 0 HBD1 HEM A 278 -14.587 3.902 6.487 1.00 0.00 H new HETATM 0 HBD2 HEM A 278 -14.469 2.732 7.786 1.00 0.00 H new HETATM 0 HAD1 HEM A 278 -15.833 1.191 6.089 1.00 0.00 H new HETATM 0 HAD2 HEM A 278 -15.186 2.296 4.892 1.00 0.00 H new HETATM 0 HHA HEM A 278 -15.521 -0.473 4.533 1.00 0.00 H new HETATM 0 HHB HEM A 278 -13.309 -6.425 3.760 1.00 0.00 H new HETATM 0 HHC HEM A 278 -7.774 -4.743 6.461 1.00 0.00 H new HETATM 0 HHD HEM A 278 -9.804 1.404 6.655 1.00 0.00 H new HETATM 0 HAB HEM A 278 -8.131 -7.332 6.850 1.00 0.00 H new HETATM 0 HAC HEM A 278 -8.040 0.983 8.738 1.00 0.00 H new