USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=22 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 83:sc= 0.946 USER MOD Set 1.2: A 77 THR OG1 : rot 138:sc= 0.791! USER MOD Set 2.1: A 45 MET CE :methyl -108:sc= -7.03! (180deg=-2.79!) USER MOD Set 2.2: A 261 HEM CMB :methyl 150:sc= -3.59 (180deg=-1.29) USER MOD Single : A 1 ALA N :NH3+ -171:sc= 0 (180deg=-0.0761) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.631 USER MOD Single : A 12 MET CE :methyl -114:sc= -3.26! (180deg=-10.4!) USER MOD Single : A 17 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.26) USER MOD Single : A 25 SER OG : rot -114:sc= 1.09 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 120:sc=-0.000972 USER MOD Single : A 34 GLN : amide:sc= -0.893 K(o=-0.89,f=-1.9!) USER MOD Single : A 36 GLN : amide:sc= -0.679 K(o=-0.68,f=0.67) USER MOD Single : A 37 SER OG : rot 42:sc= 0.882 USER MOD Single : A 41 SER OG : rot 160:sc= 0.282 USER MOD Single : A 48 ASN : amide:sc= -0.427 K(o=-0.43,f=-4.1!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) 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+ -159:sc= -0.0977 (180deg=-0.536) USER MOD Single : A 218 HEM CMA :methyl -30:sc= -6.77! (180deg=-7.85!) USER MOD Single : A 218 HEM CMB :methyl -30:sc= -0.0874 (180deg=-0.366) USER MOD Single : A 218 HEM CMC :methyl -30:sc= -5.68! (180deg=-7.1!) USER MOD Single : A 218 HEM CMD :methyl 150:sc= -6.85! (180deg=-6.85!) USER MOD Single : A 238 HEM CMA :methyl -30:sc= -10.1! (180deg=-12.8!) USER MOD Single : A 238 HEM CMB :methyl -30:sc= -1.38 (180deg=-4.71!) USER MOD Single : A 238 HEM CMC :methyl 150:sc= -6.53! (180deg=-6.53!) USER MOD Single : A 238 HEM CMD :methyl 150:sc= -0.538 (180deg=-0.538) USER MOD Single : A 261 HEM CMA :methyl -30:sc= -0.275 (180deg=-0.295) USER MOD Single : A 261 HEM CMC :methyl -30:sc= -6.52! (180deg=-7.18) USER MOD Single : A 261 HEM CMD :methyl -30:sc= -2.11! (180deg=-4.88!) USER MOD Single : A 278 HEM CMA :methyl 150:sc= -0.0355 (180deg=-0.0355) USER MOD Single : A 278 HEM CMB :methyl -30:sc= -0.587 (180deg=-0.821) USER MOD Single : A 278 HEM CMC :methyl -30:sc= -0.547 (180deg=-1.03) USER MOD Single : A 278 HEM CMD :methyl 150:sc= -5.08! (180deg=-5.08!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 16.894 -7.999 7.803 1.00 0.00 N ATOM 2 CA ALA A 1 16.440 -9.373 7.937 1.00 0.00 C ATOM 3 C ALA A 1 15.407 -9.672 6.849 1.00 0.00 C ATOM 4 O ALA A 1 15.494 -10.694 6.169 1.00 0.00 O ATOM 5 CB ALA A 1 15.884 -9.593 9.345 1.00 0.00 C ATOM 0 H1 ALA A 1 17.702 -7.837 8.438 1.00 0.00 H new ATOM 0 H2 ALA A 1 17.186 -7.824 6.820 1.00 0.00 H new ATOM 0 H3 ALA A 1 16.120 -7.352 8.055 1.00 0.00 H new ATOM 0 HA ALA A 1 17.271 -10.066 7.803 1.00 0.00 H new ATOM 0 HB1 ALA A 1 15.544 -10.624 9.445 1.00 0.00 H new ATOM 0 HB2 ALA A 1 16.665 -9.396 10.079 1.00 0.00 H new ATOM 0 HB3 ALA A 1 15.047 -8.916 9.515 1.00 0.00 H new ATOM 11 N ASP A 2 14.452 -8.763 6.718 1.00 0.00 N ATOM 12 CA ASP A 2 13.403 -8.917 5.725 1.00 0.00 C ATOM 13 C ASP A 2 13.519 -7.797 4.689 1.00 0.00 C ATOM 14 O ASP A 2 13.983 -6.702 5.003 1.00 0.00 O ATOM 15 CB ASP A 2 12.018 -8.825 6.367 1.00 0.00 C ATOM 16 CG ASP A 2 11.616 -10.034 7.214 1.00 0.00 C ATOM 17 OD1 ASP A 2 12.323 -10.417 8.158 1.00 0.00 O ATOM 18 OD2 ASP A 2 10.510 -10.600 6.865 1.00 0.00 O ATOM 0 H ASP A 2 14.383 -7.917 7.283 1.00 0.00 H new ATOM 0 HA ASP A 2 13.520 -9.896 5.260 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.983 -7.934 6.994 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.277 -8.690 5.579 1.00 0.00 H new ATOM 24 N GLU A 3 13.090 -8.110 3.475 1.00 0.00 N ATOM 25 CA GLU A 3 13.140 -7.143 2.391 1.00 0.00 C ATOM 26 C GLU A 3 11.823 -6.370 2.309 1.00 0.00 C ATOM 27 O GLU A 3 10.938 -6.724 1.531 1.00 0.00 O ATOM 28 CB GLU A 3 13.458 -7.828 1.061 1.00 0.00 C ATOM 29 CG GLU A 3 12.508 -8.999 0.805 1.00 0.00 C ATOM 30 CD GLU A 3 13.137 -10.322 1.246 1.00 0.00 C ATOM 31 OE1 GLU A 3 14.264 -10.639 0.838 1.00 0.00 O ATOM 32 OE2 GLU A 3 12.413 -11.031 2.044 1.00 0.00 O ATOM 0 H GLU A 3 12.706 -9.019 3.218 1.00 0.00 H new ATOM 0 HA GLU A 3 13.942 -6.434 2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.378 -7.106 0.248 1.00 0.00 H new ATOM 0 HB3 GLU A 3 14.488 -8.186 1.069 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.574 -8.839 1.344 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.260 -9.046 -0.255 1.00 0.00 H new ATOM 40 N THR A 4 11.733 -5.327 3.121 1.00 0.00 N ATOM 41 CA THR A 4 10.539 -4.500 3.150 1.00 0.00 C ATOM 42 C THR A 4 9.993 -4.303 1.735 1.00 0.00 C ATOM 43 O THR A 4 10.725 -4.449 0.757 1.00 0.00 O ATOM 44 CB THR A 4 10.889 -3.188 3.855 1.00 0.00 C ATOM 45 OG1 THR A 4 12.017 -2.698 3.136 1.00 0.00 O ATOM 46 CG2 THR A 4 11.418 -3.409 5.273 1.00 0.00 C ATOM 0 H THR A 4 12.469 -5.036 3.765 1.00 0.00 H new ATOM 0 HA THR A 4 9.737 -4.982 3.710 1.00 0.00 H new ATOM 0 HB THR A 4 10.007 -2.549 3.892 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.309 -1.848 3.526 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.651 -2.447 5.728 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.660 -3.918 5.869 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.320 -4.020 5.234 1.00 0.00 H new ATOM 54 N LEU A 5 8.711 -3.974 1.670 1.00 0.00 N ATOM 55 CA LEU A 5 8.059 -3.754 0.390 1.00 0.00 C ATOM 56 C LEU A 5 8.759 -2.610 -0.345 1.00 0.00 C ATOM 57 O LEU A 5 8.987 -2.689 -1.551 1.00 0.00 O ATOM 58 CB LEU A 5 6.558 -3.533 0.585 1.00 0.00 C ATOM 59 CG LEU A 5 5.653 -4.038 -0.541 1.00 0.00 C ATOM 60 CD1 LEU A 5 5.038 -5.393 -0.184 1.00 0.00 C ATOM 61 CD2 LEU A 5 4.587 -3.000 -0.896 1.00 0.00 C ATOM 0 H LEU A 5 8.106 -3.854 2.483 1.00 0.00 H new ATOM 0 HA LEU A 5 8.148 -4.639 -0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.257 -4.020 1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 5 6.382 -2.465 0.714 1.00 0.00 H new ATOM 0 HG LEU A 5 6.265 -4.187 -1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.399 -5.729 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.832 -6.121 -0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.444 -5.295 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.958 -3.385 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.972 -2.795 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.070 -2.079 -1.223 1.00 0.00 H new ATOM 73 N ALA A 6 9.080 -1.571 0.412 1.00 0.00 N ATOM 74 CA ALA A 6 9.750 -0.412 -0.152 1.00 0.00 C ATOM 75 C ALA A 6 11.092 -0.843 -0.748 1.00 0.00 C ATOM 76 O ALA A 6 11.441 -0.441 -1.857 1.00 0.00 O ATOM 77 CB ALA A 6 9.908 0.662 0.926 1.00 0.00 C ATOM 0 H ALA A 6 8.888 -1.508 1.412 1.00 0.00 H new ATOM 0 HA ALA A 6 9.156 0.020 -0.957 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.411 1.531 0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.925 0.955 1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.501 0.266 1.750 1.00 0.00 H new ATOM 83 N GLU A 7 11.808 -1.655 0.016 1.00 0.00 N ATOM 84 CA GLU A 7 13.104 -2.145 -0.423 1.00 0.00 C ATOM 85 C GLU A 7 12.960 -2.935 -1.725 1.00 0.00 C ATOM 86 O GLU A 7 13.691 -2.695 -2.685 1.00 0.00 O ATOM 87 CB GLU A 7 13.765 -2.994 0.664 1.00 0.00 C ATOM 88 CG GLU A 7 15.215 -3.319 0.300 1.00 0.00 C ATOM 89 CD GLU A 7 16.106 -2.082 0.440 1.00 0.00 C ATOM 90 OE1 GLU A 7 16.347 -1.616 1.564 1.00 0.00 O ATOM 91 OE2 GLU A 7 16.554 -1.605 -0.671 1.00 0.00 O ATOM 0 H GLU A 7 11.516 -1.986 0.936 1.00 0.00 H new ATOM 0 HA GLU A 7 13.750 -1.288 -0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 7 13.736 -2.461 1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.204 -3.919 0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.586 -4.114 0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.262 -3.692 -0.723 1.00 0.00 H new ATOM 99 N PHE A 8 12.013 -3.862 -1.716 1.00 0.00 N ATOM 100 CA PHE A 8 11.764 -4.689 -2.884 1.00 0.00 C ATOM 101 C PHE A 8 11.545 -3.827 -4.129 1.00 0.00 C ATOM 102 O PHE A 8 12.014 -4.167 -5.214 1.00 0.00 O ATOM 103 CB PHE A 8 10.491 -5.489 -2.602 1.00 0.00 C ATOM 104 CG PHE A 8 10.007 -6.327 -3.787 1.00 0.00 C ATOM 105 CD1 PHE A 8 10.703 -7.432 -4.168 1.00 0.00 C ATOM 106 CD2 PHE A 8 8.882 -5.966 -4.461 1.00 0.00 C ATOM 107 CE1 PHE A 8 10.254 -8.210 -5.268 1.00 0.00 C ATOM 108 CE2 PHE A 8 8.433 -6.744 -5.561 1.00 0.00 C ATOM 109 CZ PHE A 8 9.129 -7.849 -5.942 1.00 0.00 C ATOM 0 H PHE A 8 11.409 -4.058 -0.918 1.00 0.00 H new ATOM 0 HA PHE A 8 12.620 -5.338 -3.070 1.00 0.00 H new ATOM 0 HB2 PHE A 8 10.669 -6.148 -1.753 1.00 0.00 H new ATOM 0 HB3 PHE A 8 9.699 -4.800 -2.310 1.00 0.00 H new ATOM 0 HD1 PHE A 8 11.597 -7.718 -3.634 1.00 0.00 H new ATOM 0 HD2 PHE A 8 8.330 -5.088 -4.160 1.00 0.00 H new ATOM 0 HE1 PHE A 8 10.806 -9.088 -5.569 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.539 -6.458 -6.095 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.788 -8.440 -6.780 1.00 0.00 H new ATOM 119 N HIS A 9 10.831 -2.728 -3.931 1.00 0.00 N ATOM 120 CA HIS A 9 10.545 -1.815 -5.025 1.00 0.00 C ATOM 121 C HIS A 9 11.811 -1.038 -5.390 1.00 0.00 C ATOM 122 O HIS A 9 12.042 -0.736 -6.559 1.00 0.00 O ATOM 123 CB HIS A 9 9.368 -0.902 -4.675 1.00 0.00 C ATOM 124 CG HIS A 9 8.014 -1.528 -4.909 1.00 0.00 C ATOM 125 ND1 HIS A 9 7.375 -2.309 -3.961 1.00 0.00 N ATOM 126 CD2 HIS A 9 7.184 -1.481 -5.990 1.00 0.00 C ATOM 127 CE1 HIS A 9 6.215 -2.708 -4.460 1.00 0.00 C ATOM 128 NE2 HIS A 9 6.099 -2.194 -5.719 1.00 0.00 N ATOM 0 H HIS A 9 10.442 -2.450 -3.030 1.00 0.00 H new ATOM 0 HA HIS A 9 10.242 -2.380 -5.906 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.446 -0.611 -3.627 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.442 0.011 -5.266 1.00 0.00 H new ATOM 0 HD1 HIS A 9 7.736 -2.538 -3.035 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.378 -0.952 -6.912 1.00 0.00 H new ATOM 0 HE1 HIS A 9 5.489 -3.331 -3.959 1.00 0.00 H new ATOM 136 N VAL A 10 12.596 -0.735 -4.367 1.00 0.00 N ATOM 137 CA VAL A 10 13.833 0.001 -4.565 1.00 0.00 C ATOM 138 C VAL A 10 14.729 -0.767 -5.539 1.00 0.00 C ATOM 139 O VAL A 10 15.131 -0.233 -6.571 1.00 0.00 O ATOM 140 CB VAL A 10 14.506 0.267 -3.217 1.00 0.00 C ATOM 141 CG1 VAL A 10 16.010 0.485 -3.388 1.00 0.00 C ATOM 142 CG2 VAL A 10 13.857 1.456 -2.505 1.00 0.00 C ATOM 0 H VAL A 10 12.399 -0.986 -3.398 1.00 0.00 H new ATOM 0 HA VAL A 10 13.630 0.975 -5.010 1.00 0.00 H new ATOM 0 HB VAL A 10 14.365 -0.615 -2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 10 16.464 0.672 -2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.458 -0.404 -3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 10 16.182 1.342 -4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.354 1.623 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.952 2.348 -3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.802 1.245 -2.333 1.00 0.00 H new ATOM 152 N GLU A 11 15.016 -2.009 -5.175 1.00 0.00 N ATOM 153 CA GLU A 11 15.856 -2.856 -6.004 1.00 0.00 C ATOM 154 C GLU A 11 15.328 -2.887 -7.439 1.00 0.00 C ATOM 155 O GLU A 11 16.061 -3.224 -8.367 1.00 0.00 O ATOM 156 CB GLU A 11 15.952 -4.268 -5.424 1.00 0.00 C ATOM 157 CG GLU A 11 17.125 -5.035 -6.038 1.00 0.00 C ATOM 158 CD GLU A 11 18.303 -5.109 -5.064 1.00 0.00 C ATOM 159 OE1 GLU A 11 18.112 -4.954 -3.848 1.00 0.00 O ATOM 160 OE2 GLU A 11 19.449 -5.337 -5.610 1.00 0.00 O ATOM 0 H GLU A 11 14.682 -2.448 -4.317 1.00 0.00 H new ATOM 0 HA GLU A 11 16.861 -2.435 -6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.075 -4.213 -4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.023 -4.806 -5.612 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.805 -6.042 -6.305 1.00 0.00 H new ATOM 0 HG3 GLU A 11 17.441 -4.546 -6.960 1.00 0.00 H new ATOM 168 N MET A 12 14.058 -2.532 -7.576 1.00 0.00 N ATOM 169 CA MET A 12 13.423 -2.515 -8.883 1.00 0.00 C ATOM 170 C MET A 12 13.296 -1.085 -9.412 1.00 0.00 C ATOM 171 O MET A 12 12.496 -0.820 -10.309 1.00 0.00 O ATOM 172 CB MET A 12 12.034 -3.148 -8.783 1.00 0.00 C ATOM 173 CG MET A 12 12.020 -4.543 -9.411 1.00 0.00 C ATOM 174 SD MET A 12 11.376 -5.732 -8.245 1.00 0.00 S ATOM 175 CE MET A 12 9.964 -4.829 -7.631 1.00 0.00 C ATOM 0 H MET A 12 13.452 -2.254 -6.804 1.00 0.00 H new ATOM 0 HA MET A 12 14.043 -3.085 -9.575 1.00 0.00 H new ATOM 0 HB2 MET A 12 11.735 -3.213 -7.737 1.00 0.00 H new ATOM 0 HB3 MET A 12 11.304 -2.512 -9.284 1.00 0.00 H new ATOM 0 HG2 MET A 12 11.408 -4.538 -10.313 1.00 0.00 H new ATOM 0 HG3 MET A 12 13.029 -4.826 -9.711 1.00 0.00 H new ATOM 0 HE1 MET A 12 10.114 -4.590 -6.578 1.00 0.00 H new ATOM 0 HE2 MET A 12 9.847 -3.906 -8.199 1.00 0.00 H new ATOM 0 HE3 MET A 12 9.067 -5.438 -7.740 1.00 0.00 H new ATOM 185 N GLY A 13 14.097 -0.202 -8.836 1.00 0.00 N ATOM 186 CA GLY A 13 14.085 1.194 -9.239 1.00 0.00 C ATOM 187 C GLY A 13 14.962 2.040 -8.313 1.00 0.00 C ATOM 188 O GLY A 13 16.083 2.397 -8.670 1.00 0.00 O ATOM 0 H GLY A 13 14.759 -0.426 -8.093 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.442 1.283 -10.265 1.00 0.00 H new ATOM 0 HA3 GLY A 13 13.063 1.572 -9.223 1.00 0.00 H new ATOM 192 N GLY A 14 14.417 2.336 -7.142 1.00 0.00 N ATOM 193 CA GLY A 14 15.135 3.133 -6.162 1.00 0.00 C ATOM 194 C GLY A 14 14.170 3.780 -5.168 1.00 0.00 C ATOM 195 O GLY A 14 12.996 3.418 -5.112 1.00 0.00 O ATOM 0 H GLY A 14 13.486 2.038 -6.850 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.846 2.504 -5.627 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.712 3.906 -6.669 1.00 0.00 H new ATOM 199 N CYS A 15 14.701 4.726 -4.407 1.00 0.00 N ATOM 200 CA CYS A 15 13.901 5.427 -3.417 1.00 0.00 C ATOM 201 C CYS A 15 12.967 6.393 -4.150 1.00 0.00 C ATOM 202 O CYS A 15 11.956 6.824 -3.598 1.00 0.00 O ATOM 203 CB CYS A 15 14.776 6.149 -2.390 1.00 0.00 C ATOM 204 SG CYS A 15 15.802 5.049 -1.348 1.00 0.00 S ATOM 0 H CYS A 15 15.675 5.023 -4.456 1.00 0.00 H new ATOM 0 HA CYS A 15 13.308 4.709 -2.851 1.00 0.00 H new ATOM 0 HB2 CYS A 15 15.431 6.843 -2.916 1.00 0.00 H new ATOM 0 HB3 CYS A 15 14.134 6.745 -1.742 1.00 0.00 H new ATOM 209 N GLU A 16 13.340 6.704 -5.383 1.00 0.00 N ATOM 210 CA GLU A 16 12.549 7.611 -6.197 1.00 0.00 C ATOM 211 C GLU A 16 11.370 6.866 -6.828 1.00 0.00 C ATOM 212 O GLU A 16 10.683 7.405 -7.694 1.00 0.00 O ATOM 213 CB GLU A 16 13.411 8.281 -7.268 1.00 0.00 C ATOM 214 CG GLU A 16 14.144 9.498 -6.701 1.00 0.00 C ATOM 215 CD GLU A 16 14.069 10.683 -7.666 1.00 0.00 C ATOM 216 OE1 GLU A 16 15.026 11.465 -7.763 1.00 0.00 O ATOM 217 OE2 GLU A 16 12.967 10.775 -8.330 1.00 0.00 O ATOM 0 H GLU A 16 14.179 6.344 -5.838 1.00 0.00 H new ATOM 0 HA GLU A 16 12.155 8.396 -5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 16 14.135 7.565 -7.657 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.784 8.587 -8.105 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.706 9.777 -5.743 1.00 0.00 H new ATOM 0 HG3 GLU A 16 15.187 9.243 -6.513 1.00 0.00 H new ATOM 225 N ASN A 17 11.174 5.639 -6.370 1.00 0.00 N ATOM 226 CA ASN A 17 10.091 4.815 -6.879 1.00 0.00 C ATOM 227 C ASN A 17 8.754 5.378 -6.392 1.00 0.00 C ATOM 228 O ASN A 17 7.726 5.197 -7.043 1.00 0.00 O ATOM 229 CB ASN A 17 10.209 3.375 -6.374 1.00 0.00 C ATOM 230 CG ASN A 17 9.481 2.405 -7.306 1.00 0.00 C ATOM 231 OD1 ASN A 17 10.074 1.547 -7.938 1.00 0.00 O ATOM 232 ND2 ASN A 17 8.164 2.588 -7.355 1.00 0.00 N ATOM 0 H ASN A 17 11.747 5.195 -5.652 1.00 0.00 H new ATOM 0 HA ASN A 17 10.147 4.821 -7.968 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.260 3.096 -6.303 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.791 3.303 -5.370 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.588 1.991 -7.948 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.731 3.326 -6.800 1.00 0.00 H new ATOM 239 N CYS A 18 8.812 6.050 -5.252 1.00 0.00 N ATOM 240 CA CYS A 18 7.620 6.641 -4.670 1.00 0.00 C ATOM 241 C CYS A 18 8.026 7.924 -3.941 1.00 0.00 C ATOM 242 O CYS A 18 7.362 8.339 -2.992 1.00 0.00 O ATOM 243 CB CYS A 18 6.898 5.662 -3.743 1.00 0.00 C ATOM 244 SG CYS A 18 7.142 3.947 -4.331 1.00 0.00 S ATOM 0 H CYS A 18 9.667 6.198 -4.716 1.00 0.00 H new ATOM 0 HA CYS A 18 6.909 6.883 -5.460 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.278 5.764 -2.726 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.834 5.896 -3.711 1.00 0.00 H new ATOM 249 N HIS A 19 9.113 8.516 -4.413 1.00 0.00 N ATOM 250 CA HIS A 19 9.615 9.742 -3.817 1.00 0.00 C ATOM 251 C HIS A 19 10.220 10.631 -4.906 1.00 0.00 C ATOM 252 O HIS A 19 10.945 10.149 -5.775 1.00 0.00 O ATOM 253 CB HIS A 19 10.601 9.435 -2.688 1.00 0.00 C ATOM 254 CG HIS A 19 9.987 8.702 -1.520 1.00 0.00 C ATOM 255 ND1 HIS A 19 8.734 9.008 -1.017 1.00 0.00 N ATOM 256 CD2 HIS A 19 10.465 7.674 -0.761 1.00 0.00 C ATOM 257 CE1 HIS A 19 8.481 8.196 -0.002 1.00 0.00 C ATOM 258 NE2 HIS A 19 9.555 7.370 0.155 1.00 0.00 N ATOM 0 H HIS A 19 9.660 8.169 -5.201 1.00 0.00 H new ATOM 0 HA HIS A 19 8.792 10.292 -3.362 1.00 0.00 H new ATOM 0 HB2 HIS A 19 11.421 8.839 -3.088 1.00 0.00 H new ATOM 0 HB3 HIS A 19 11.032 10.370 -2.331 1.00 0.00 H new ATOM 0 HD1 HIS A 19 8.111 9.735 -1.369 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.422 7.190 -0.885 1.00 0.00 H new ATOM 0 HE1 HIS A 19 7.582 8.189 0.596 1.00 0.00 H new ATOM 266 N ALA A 20 9.899 11.914 -4.824 1.00 0.00 N ATOM 267 CA ALA A 20 10.401 12.875 -5.792 1.00 0.00 C ATOM 268 C ALA A 20 11.606 13.607 -5.198 1.00 0.00 C ATOM 269 O ALA A 20 11.505 14.213 -4.132 1.00 0.00 O ATOM 270 CB ALA A 20 9.276 13.831 -6.193 1.00 0.00 C ATOM 0 H ALA A 20 9.297 12.311 -4.102 1.00 0.00 H new ATOM 0 HA ALA A 20 10.736 12.369 -6.698 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.652 14.552 -6.919 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.457 13.264 -6.636 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.916 14.359 -5.310 1.00 0.00 H new ATOM 276 N ASP A 21 12.718 13.528 -5.914 1.00 0.00 N ATOM 277 CA ASP A 21 13.941 14.177 -5.472 1.00 0.00 C ATOM 278 C ASP A 21 14.093 13.991 -3.961 1.00 0.00 C ATOM 279 O ASP A 21 14.529 14.903 -3.260 1.00 0.00 O ATOM 280 CB ASP A 21 13.904 15.679 -5.762 1.00 0.00 C ATOM 281 CG ASP A 21 15.206 16.263 -6.311 1.00 0.00 C ATOM 282 OD1 ASP A 21 15.196 17.090 -7.235 1.00 0.00 O ATOM 283 OD2 ASP A 21 16.281 15.830 -5.743 1.00 0.00 O ATOM 0 H ASP A 21 12.798 13.024 -6.797 1.00 0.00 H new ATOM 0 HA ASP A 21 14.775 13.727 -6.010 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.105 15.876 -6.477 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.646 16.205 -4.843 1.00 0.00 H new ATOM 289 N GLY A 22 13.726 12.803 -3.503 1.00 0.00 N ATOM 290 CA GLY A 22 13.816 12.485 -2.088 1.00 0.00 C ATOM 291 C GLY A 22 13.023 13.490 -1.249 1.00 0.00 C ATOM 292 O GLY A 22 13.582 14.151 -0.375 1.00 0.00 O ATOM 0 H GLY A 22 13.366 12.049 -4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.435 11.479 -1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.860 12.489 -1.776 1.00 0.00 H new ATOM 296 N GLU A 23 11.734 13.572 -1.544 1.00 0.00 N ATOM 297 CA GLU A 23 10.859 14.484 -0.828 1.00 0.00 C ATOM 298 C GLU A 23 9.462 13.877 -0.685 1.00 0.00 C ATOM 299 O GLU A 23 8.536 14.189 -1.430 1.00 0.00 O ATOM 300 CB GLU A 23 10.797 15.845 -1.524 1.00 0.00 C ATOM 301 CG GLU A 23 10.782 16.983 -0.503 1.00 0.00 C ATOM 302 CD GLU A 23 9.370 17.213 0.041 1.00 0.00 C ATOM 303 OE1 GLU A 23 8.475 17.622 -0.712 1.00 0.00 O ATOM 304 OE2 GLU A 23 9.220 16.950 1.295 1.00 0.00 O ATOM 0 H GLU A 23 11.275 13.021 -2.269 1.00 0.00 H new ATOM 0 HA GLU A 23 11.269 14.642 0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.655 15.958 -2.187 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.904 15.899 -2.147 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.458 16.748 0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.150 17.898 -0.967 1.00 0.00 H new ATOM 312 N PRO A 24 9.331 12.990 0.304 1.00 0.00 N ATOM 313 CA PRO A 24 8.100 12.296 0.619 1.00 0.00 C ATOM 314 C PRO A 24 6.940 13.281 0.600 1.00 0.00 C ATOM 315 O PRO A 24 7.002 14.285 1.307 1.00 0.00 O ATOM 316 CB PRO A 24 8.317 11.732 2.022 1.00 0.00 C ATOM 317 CG PRO A 24 9.777 11.555 2.123 1.00 0.00 C ATOM 318 CD PRO A 24 10.399 12.600 1.198 1.00 0.00 C ATOM 0 HA PRO A 24 7.861 11.509 -0.096 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.945 12.414 2.787 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.792 10.786 2.156 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.116 11.693 3.150 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.068 10.548 1.824 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.773 13.454 1.762 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.244 12.187 0.647 1.00 0.00 H new ATOM 326 N SER A 25 5.922 12.983 -0.194 1.00 0.00 N ATOM 327 CA SER A 25 4.765 13.857 -0.287 1.00 0.00 C ATOM 328 C SER A 25 4.253 14.199 1.114 1.00 0.00 C ATOM 329 O SER A 25 4.287 13.360 2.013 1.00 0.00 O ATOM 330 CB SER A 25 3.652 13.212 -1.115 1.00 0.00 C ATOM 331 OG SER A 25 2.672 12.582 -0.295 1.00 0.00 O ATOM 0 H SER A 25 5.874 12.149 -0.779 1.00 0.00 H new ATOM 0 HA SER A 25 5.070 14.775 -0.790 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.173 13.972 -1.733 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.085 12.476 -1.793 1.00 0.00 H new ATOM 0 HG SER A 25 2.697 11.613 -0.441 1.00 0.00 H new ATOM 337 N LYS A 26 3.792 15.433 1.256 1.00 0.00 N ATOM 338 CA LYS A 26 3.274 15.896 2.532 1.00 0.00 C ATOM 339 C LYS A 26 1.745 15.835 2.510 1.00 0.00 C ATOM 340 O LYS A 26 1.079 16.665 3.127 1.00 0.00 O ATOM 341 CB LYS A 26 3.830 17.282 2.865 1.00 0.00 C ATOM 342 CG LYS A 26 3.260 18.342 1.921 1.00 0.00 C ATOM 343 CD LYS A 26 2.403 19.353 2.685 1.00 0.00 C ATOM 344 CE LYS A 26 3.224 20.583 3.078 1.00 0.00 C ATOM 345 NZ LYS A 26 3.949 20.339 4.345 1.00 0.00 N ATOM 0 H LYS A 26 3.766 16.126 0.508 1.00 0.00 H new ATOM 0 HA LYS A 26 3.607 15.242 3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.585 17.538 3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.917 17.269 2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.075 18.860 1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.660 17.861 1.149 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.558 19.658 2.068 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.993 18.885 3.580 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.934 20.822 2.286 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.567 21.446 3.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.501 21.184 4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.266 20.133 5.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.590 19.529 4.228 1.00 0.00 H new ATOM 358 N ASP A 27 1.234 14.846 1.792 1.00 0.00 N ATOM 359 CA ASP A 27 -0.203 14.667 1.681 1.00 0.00 C ATOM 360 C ASP A 27 -0.528 13.172 1.678 1.00 0.00 C ATOM 361 O ASP A 27 -1.201 12.678 2.582 1.00 0.00 O ATOM 362 CB ASP A 27 -0.734 15.268 0.377 1.00 0.00 C ATOM 363 CG ASP A 27 0.175 15.080 -0.839 1.00 0.00 C ATOM 364 OD1 ASP A 27 1.403 15.224 -0.747 1.00 0.00 O ATOM 365 OD2 ASP A 27 -0.435 14.767 -1.932 1.00 0.00 O ATOM 0 H ASP A 27 1.790 14.160 1.281 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.671 15.169 2.527 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.705 14.823 0.158 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.899 16.335 0.527 1.00 0.00 H new ATOM 371 N GLY A 28 -0.034 12.493 0.653 1.00 0.00 N ATOM 372 CA GLY A 28 -0.263 11.064 0.521 1.00 0.00 C ATOM 373 C GLY A 28 -0.870 10.730 -0.843 1.00 0.00 C ATOM 374 O GLY A 28 -0.605 9.665 -1.400 1.00 0.00 O ATOM 0 H GLY A 28 0.524 12.906 -0.094 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.678 10.528 0.645 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.930 10.724 1.313 1.00 0.00 H new ATOM 378 N ALA A 29 -1.672 11.659 -1.342 1.00 0.00 N ATOM 379 CA ALA A 29 -2.318 11.476 -2.631 1.00 0.00 C ATOM 380 C ALA A 29 -1.250 11.367 -3.721 1.00 0.00 C ATOM 381 O ALA A 29 -1.248 10.455 -4.545 1.00 0.00 O ATOM 382 CB ALA A 29 -3.293 12.628 -2.881 1.00 0.00 C ATOM 0 H ALA A 29 -1.889 12.541 -0.877 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.896 10.552 -2.644 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.778 12.491 -3.848 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.048 12.642 -2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.749 13.572 -2.879 1.00 0.00 H new ATOM 388 N TYR A 30 -0.330 12.334 -3.707 1.00 0.00 N ATOM 389 CA TYR A 30 0.748 12.375 -4.675 1.00 0.00 C ATOM 390 C TYR A 30 1.416 11.011 -4.762 1.00 0.00 C ATOM 391 O TYR A 30 1.651 10.534 -5.871 1.00 0.00 O ATOM 392 CB TYR A 30 1.755 13.446 -4.266 1.00 0.00 C ATOM 393 CG TYR A 30 2.942 13.543 -5.195 1.00 0.00 C ATOM 394 CD1 TYR A 30 2.746 13.799 -6.557 1.00 0.00 C ATOM 395 CD2 TYR A 30 4.239 13.377 -4.694 1.00 0.00 C ATOM 396 CE1 TYR A 30 3.846 13.889 -7.419 1.00 0.00 C ATOM 397 CE2 TYR A 30 5.339 13.467 -5.555 1.00 0.00 C ATOM 398 CZ TYR A 30 5.142 13.722 -6.918 1.00 0.00 C ATOM 399 OH TYR A 30 6.214 13.809 -7.757 1.00 0.00 O ATOM 0 H TYR A 30 -0.317 13.097 -3.031 1.00 0.00 H new ATOM 0 HA TYR A 30 0.350 12.625 -5.659 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.252 14.412 -4.230 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.109 13.234 -3.257 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.746 13.927 -6.943 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.391 13.179 -3.643 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.694 14.087 -8.470 1.00 0.00 H new ATOM 0 HE2 TYR A 30 6.339 13.340 -5.168 1.00 0.00 H new ATOM 0 HH TYR A 30 6.802 14.536 -7.463 1.00 0.00 H new ATOM 409 N GLU A 31 1.706 10.418 -3.613 1.00 0.00 N ATOM 410 CA GLU A 31 2.345 9.113 -3.585 1.00 0.00 C ATOM 411 C GLU A 31 1.385 8.040 -4.103 1.00 0.00 C ATOM 412 O GLU A 31 1.747 7.243 -4.966 1.00 0.00 O ATOM 413 CB GLU A 31 2.837 8.774 -2.177 1.00 0.00 C ATOM 414 CG GLU A 31 4.150 9.496 -1.866 1.00 0.00 C ATOM 415 CD GLU A 31 4.281 9.774 -0.367 1.00 0.00 C ATOM 416 OE1 GLU A 31 5.340 9.509 0.222 1.00 0.00 O ATOM 417 OE2 GLU A 31 3.234 10.284 0.187 1.00 0.00 O ATOM 0 H GLU A 31 1.510 10.817 -2.695 1.00 0.00 H new ATOM 0 HA GLU A 31 3.215 9.142 -4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.080 9.057 -1.446 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.980 7.697 -2.087 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.991 8.890 -2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.193 10.434 -2.419 1.00 0.00 H new ATOM 425 N PHE A 32 0.179 8.056 -3.554 1.00 0.00 N ATOM 426 CA PHE A 32 -0.836 7.094 -3.950 1.00 0.00 C ATOM 427 C PHE A 32 -0.889 6.948 -5.472 1.00 0.00 C ATOM 428 O PHE A 32 -1.245 5.889 -5.985 1.00 0.00 O ATOM 429 CB PHE A 32 -2.180 7.633 -3.454 1.00 0.00 C ATOM 430 CG PHE A 32 -3.395 6.919 -4.050 1.00 0.00 C ATOM 431 CD1 PHE A 32 -3.444 5.560 -4.067 1.00 0.00 C ATOM 432 CD2 PHE A 32 -4.425 7.643 -4.564 1.00 0.00 C ATOM 433 CE1 PHE A 32 -4.571 4.897 -4.621 1.00 0.00 C ATOM 434 CE2 PHE A 32 -5.552 6.980 -5.117 1.00 0.00 C ATOM 435 CZ PHE A 32 -5.601 5.621 -5.134 1.00 0.00 C ATOM 0 H PHE A 32 -0.118 8.720 -2.839 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.608 6.116 -3.526 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.217 7.545 -2.368 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.243 8.695 -3.690 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.626 4.985 -3.659 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.386 8.722 -4.552 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.610 3.818 -4.635 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.371 7.555 -5.524 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.458 5.117 -5.555 1.00 0.00 H new ATOM 445 N GLU A 33 -0.529 8.027 -6.151 1.00 0.00 N ATOM 446 CA GLU A 33 -0.530 8.032 -7.604 1.00 0.00 C ATOM 447 C GLU A 33 0.564 7.107 -8.139 1.00 0.00 C ATOM 448 O GLU A 33 0.345 6.372 -9.101 1.00 0.00 O ATOM 449 CB GLU A 33 -0.361 9.453 -8.147 1.00 0.00 C ATOM 450 CG GLU A 33 -1.654 9.948 -8.799 1.00 0.00 C ATOM 451 CD GLU A 33 -1.354 10.853 -9.995 1.00 0.00 C ATOM 452 OE1 GLU A 33 -1.317 10.376 -11.139 1.00 0.00 O ATOM 453 OE2 GLU A 33 -1.155 12.094 -9.703 1.00 0.00 O ATOM 0 H GLU A 33 -0.235 8.904 -5.722 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.494 7.659 -7.949 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.078 10.125 -7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.449 9.474 -8.876 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.251 9.096 -9.124 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.249 10.493 -8.066 1.00 0.00 H new ATOM 461 N GLN A 34 1.719 7.173 -7.493 1.00 0.00 N ATOM 462 CA GLN A 34 2.848 6.349 -7.892 1.00 0.00 C ATOM 463 C GLN A 34 2.417 4.888 -8.029 1.00 0.00 C ATOM 464 O GLN A 34 2.883 4.180 -8.921 1.00 0.00 O ATOM 465 CB GLN A 34 4.005 6.489 -6.901 1.00 0.00 C ATOM 466 CG GLN A 34 4.587 7.904 -6.933 1.00 0.00 C ATOM 467 CD GLN A 34 4.768 8.389 -8.373 1.00 0.00 C ATOM 468 OE1 GLN A 34 5.155 7.648 -9.262 1.00 0.00 O ATOM 469 NE2 GLN A 34 4.469 9.673 -8.553 1.00 0.00 N ATOM 0 H GLN A 34 1.898 7.784 -6.696 1.00 0.00 H new ATOM 0 HA GLN A 34 3.201 6.695 -8.863 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.656 6.258 -5.894 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.784 5.766 -7.142 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.927 8.585 -6.396 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.547 7.918 -6.417 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.150 10.238 -7.766 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.558 10.093 -9.478 1.00 0.00 H new ATOM 478 N CYS A 35 1.531 4.479 -7.133 1.00 0.00 N ATOM 479 CA CYS A 35 1.032 3.114 -7.142 1.00 0.00 C ATOM 480 C CYS A 35 -0.183 3.053 -8.071 1.00 0.00 C ATOM 481 O CYS A 35 -1.215 2.490 -7.712 1.00 0.00 O ATOM 482 CB CYS A 35 0.697 2.624 -5.732 1.00 0.00 C ATOM 483 SG CYS A 35 1.666 3.413 -4.395 1.00 0.00 S ATOM 0 H CYS A 35 1.146 5.069 -6.396 1.00 0.00 H new ATOM 0 HA CYS A 35 1.807 2.444 -7.514 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.363 2.797 -5.544 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.856 1.547 -5.690 1.00 0.00 H new ATOM 488 N GLN A 36 -0.018 3.641 -9.247 1.00 0.00 N ATOM 489 CA GLN A 36 -1.088 3.661 -10.230 1.00 0.00 C ATOM 490 C GLN A 36 -0.508 3.643 -11.646 1.00 0.00 C ATOM 491 O GLN A 36 -0.649 4.612 -12.391 1.00 0.00 O ATOM 492 CB GLN A 36 -1.998 4.874 -10.026 1.00 0.00 C ATOM 493 CG GLN A 36 -3.451 4.440 -9.822 1.00 0.00 C ATOM 494 CD GLN A 36 -4.156 5.343 -8.807 1.00 0.00 C ATOM 495 OE1 GLN A 36 -4.640 4.903 -7.778 1.00 0.00 O ATOM 496 NE2 GLN A 36 -4.186 6.627 -9.154 1.00 0.00 N ATOM 0 H GLN A 36 0.840 4.107 -9.541 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.695 2.766 -10.095 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.660 5.445 -9.161 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.930 5.534 -10.891 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.981 4.473 -10.774 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.481 3.407 -9.477 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.761 6.928 -10.031 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.634 7.310 -8.543 1.00 0.00 H new ATOM 505 N SER A 37 0.131 2.531 -11.975 1.00 0.00 N ATOM 506 CA SER A 37 0.733 2.374 -13.289 1.00 0.00 C ATOM 507 C SER A 37 1.133 0.914 -13.510 1.00 0.00 C ATOM 508 O SER A 37 0.496 0.202 -14.284 1.00 0.00 O ATOM 509 CB SER A 37 1.949 3.288 -13.450 1.00 0.00 C ATOM 510 OG SER A 37 1.597 4.550 -14.010 1.00 0.00 O ATOM 0 H SER A 37 0.246 1.729 -11.355 1.00 0.00 H new ATOM 0 HA SER A 37 -0.004 2.660 -14.040 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.419 3.441 -12.478 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.687 2.801 -14.088 1.00 0.00 H new ATOM 0 HG SER A 37 0.764 4.867 -13.603 1.00 0.00 H new ATOM 516 N CYS A 38 2.188 0.511 -12.816 1.00 0.00 N ATOM 517 CA CYS A 38 2.681 -0.851 -12.927 1.00 0.00 C ATOM 518 C CYS A 38 1.658 -1.787 -12.280 1.00 0.00 C ATOM 519 O CYS A 38 1.760 -3.006 -12.405 1.00 0.00 O ATOM 520 CB CYS A 38 4.069 -1.003 -12.301 1.00 0.00 C ATOM 521 SG CYS A 38 5.082 0.478 -12.659 1.00 0.00 S ATOM 0 H CYS A 38 2.715 1.104 -12.175 1.00 0.00 H new ATOM 0 HA CYS A 38 2.798 -1.113 -13.979 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.978 -1.140 -11.223 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.559 -1.893 -12.695 1.00 0.00 H new ATOM 526 N HIS A 39 0.695 -1.180 -11.601 1.00 0.00 N ATOM 527 CA HIS A 39 -0.346 -1.944 -10.934 1.00 0.00 C ATOM 528 C HIS A 39 -1.709 -1.577 -11.524 1.00 0.00 C ATOM 529 O HIS A 39 -2.172 -2.214 -12.469 1.00 0.00 O ATOM 530 CB HIS A 39 -0.282 -1.741 -9.419 1.00 0.00 C ATOM 531 CG HIS A 39 0.948 -2.332 -8.772 1.00 0.00 C ATOM 532 ND1 HIS A 39 1.223 -3.688 -8.783 1.00 0.00 N ATOM 533 CD2 HIS A 39 1.973 -1.737 -8.097 1.00 0.00 C ATOM 534 CE1 HIS A 39 2.364 -3.889 -8.139 1.00 0.00 C ATOM 535 NE2 HIS A 39 2.827 -2.678 -7.714 1.00 0.00 N ATOM 0 H HIS A 39 0.614 -0.168 -11.499 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.189 -3.009 -11.107 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.316 -0.673 -9.204 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.168 -2.185 -8.965 1.00 0.00 H new ATOM 0 HD1 HIS A 39 0.646 -4.410 -9.214 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.073 -0.679 -7.906 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.843 -4.844 -7.979 1.00 0.00 H new ATOM 543 N GLY A 40 -2.314 -0.552 -10.942 1.00 0.00 N ATOM 544 CA GLY A 40 -3.615 -0.093 -11.398 1.00 0.00 C ATOM 545 C GLY A 40 -4.353 0.655 -10.286 1.00 0.00 C ATOM 546 O GLY A 40 -3.728 1.195 -9.375 1.00 0.00 O ATOM 0 H GLY A 40 -1.927 -0.026 -10.158 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.492 0.561 -12.261 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.211 -0.945 -11.726 1.00 0.00 H new ATOM 550 N SER A 41 -5.674 0.661 -10.397 1.00 0.00 N ATOM 551 CA SER A 41 -6.504 1.333 -9.412 1.00 0.00 C ATOM 552 C SER A 41 -7.292 0.302 -8.601 1.00 0.00 C ATOM 553 O SER A 41 -7.635 -0.763 -9.111 1.00 0.00 O ATOM 554 CB SER A 41 -7.459 2.324 -10.081 1.00 0.00 C ATOM 555 OG SER A 41 -8.791 2.195 -9.591 1.00 0.00 O ATOM 0 H SER A 41 -6.189 0.211 -11.154 1.00 0.00 H new ATOM 0 HA SER A 41 -5.853 1.893 -8.741 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.106 3.341 -9.908 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.452 2.163 -11.159 1.00 0.00 H new ATOM 0 HG SER A 41 -9.291 3.016 -9.781 1.00 0.00 H new ATOM 561 N LEU A 42 -7.555 0.655 -7.352 1.00 0.00 N ATOM 562 CA LEU A 42 -8.295 -0.226 -6.465 1.00 0.00 C ATOM 563 C LEU A 42 -9.651 -0.555 -7.095 1.00 0.00 C ATOM 564 O LEU A 42 -10.180 -1.648 -6.902 1.00 0.00 O ATOM 565 CB LEU A 42 -8.399 0.384 -5.066 1.00 0.00 C ATOM 566 CG LEU A 42 -7.078 0.801 -4.416 1.00 0.00 C ATOM 567 CD1 LEU A 42 -7.239 2.106 -3.635 1.00 0.00 C ATOM 568 CD2 LEU A 42 -6.518 -0.324 -3.544 1.00 0.00 C ATOM 0 H LEU A 42 -7.269 1.540 -6.933 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.765 -1.170 -6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.047 1.259 -5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.891 -0.337 -4.413 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.352 0.988 -5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.286 2.380 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.560 2.898 -4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.986 1.972 -2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.579 -0.002 -3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.233 -0.566 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.342 -1.207 -4.158 1.00 0.00 H new ATOM 580 N ALA A 43 -10.173 0.412 -7.835 1.00 0.00 N ATOM 581 CA ALA A 43 -11.456 0.240 -8.494 1.00 0.00 C ATOM 582 C ALA A 43 -11.307 -0.767 -9.637 1.00 0.00 C ATOM 583 O ALA A 43 -12.292 -1.146 -10.268 1.00 0.00 O ATOM 584 CB ALA A 43 -11.969 1.598 -8.977 1.00 0.00 C ATOM 0 H ALA A 43 -9.730 1.317 -7.993 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.194 -0.158 -7.798 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.932 1.468 -9.471 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.086 2.267 -8.124 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.255 2.028 -9.680 1.00 0.00 H new ATOM 590 N GLU A 44 -10.066 -1.171 -9.868 1.00 0.00 N ATOM 591 CA GLU A 44 -9.775 -2.127 -10.923 1.00 0.00 C ATOM 592 C GLU A 44 -9.097 -3.369 -10.342 1.00 0.00 C ATOM 593 O GLU A 44 -8.356 -4.060 -11.040 1.00 0.00 O ATOM 594 CB GLU A 44 -8.912 -1.491 -12.015 1.00 0.00 C ATOM 595 CG GLU A 44 -9.781 -0.894 -13.123 1.00 0.00 C ATOM 596 CD GLU A 44 -9.822 0.632 -13.026 1.00 0.00 C ATOM 597 OE1 GLU A 44 -8.911 1.310 -13.525 1.00 0.00 O ATOM 598 OE2 GLU A 44 -10.846 1.112 -12.406 1.00 0.00 O ATOM 0 H GLU A 44 -9.251 -0.854 -9.343 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.716 -2.432 -11.380 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.285 -0.712 -11.580 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.243 -2.241 -12.437 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.389 -1.190 -14.096 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.793 -1.294 -13.052 1.00 0.00 H new ATOM 606 N MET A 45 -9.376 -3.616 -9.071 1.00 0.00 N ATOM 607 CA MET A 45 -8.803 -4.764 -8.388 1.00 0.00 C ATOM 608 C MET A 45 -9.897 -5.719 -7.907 1.00 0.00 C ATOM 609 O MET A 45 -11.069 -5.540 -8.233 1.00 0.00 O ATOM 610 CB MET A 45 -7.979 -4.286 -7.190 1.00 0.00 C ATOM 611 CG MET A 45 -6.788 -3.440 -7.646 1.00 0.00 C ATOM 612 SD MET A 45 -5.483 -3.519 -6.431 1.00 0.00 S ATOM 613 CE MET A 45 -4.461 -2.164 -6.986 1.00 0.00 C ATOM 0 H MET A 45 -9.991 -3.041 -8.496 1.00 0.00 H new ATOM 0 HA MET A 45 -8.164 -5.299 -9.090 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.610 -3.701 -6.520 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.623 -5.146 -6.623 1.00 0.00 H new ATOM 0 HG2 MET A 45 -6.423 -3.800 -8.608 1.00 0.00 H new ATOM 0 HG3 MET A 45 -7.100 -2.406 -7.790 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.550 -2.557 -7.438 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.007 -1.575 -7.723 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.201 -1.532 -6.136 1.00 0.00 H new ATOM 623 N ASP A 46 -9.475 -6.713 -7.139 1.00 0.00 N ATOM 624 CA ASP A 46 -10.404 -7.696 -6.610 1.00 0.00 C ATOM 625 C ASP A 46 -11.544 -6.977 -5.886 1.00 0.00 C ATOM 626 O ASP A 46 -11.554 -5.750 -5.802 1.00 0.00 O ATOM 627 CB ASP A 46 -9.715 -8.621 -5.605 1.00 0.00 C ATOM 628 CG ASP A 46 -8.286 -8.219 -5.231 1.00 0.00 C ATOM 629 OD1 ASP A 46 -7.945 -7.028 -5.199 1.00 0.00 O ATOM 630 OD2 ASP A 46 -7.497 -9.203 -4.963 1.00 0.00 O ATOM 0 H ASP A 46 -8.502 -6.858 -6.871 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.780 -8.287 -7.445 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.316 -8.658 -4.696 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.697 -9.630 -6.016 1.00 0.00 H new ATOM 636 N ASP A 47 -12.477 -7.771 -5.382 1.00 0.00 N ATOM 637 CA ASP A 47 -13.619 -7.226 -4.668 1.00 0.00 C ATOM 638 C ASP A 47 -13.217 -6.930 -3.222 1.00 0.00 C ATOM 639 O ASP A 47 -14.059 -6.570 -2.401 1.00 0.00 O ATOM 640 CB ASP A 47 -14.780 -8.222 -4.642 1.00 0.00 C ATOM 641 CG ASP A 47 -14.648 -9.341 -3.606 1.00 0.00 C ATOM 642 OD1 ASP A 47 -14.062 -10.399 -3.880 1.00 0.00 O ATOM 643 OD2 ASP A 47 -15.186 -9.089 -2.461 1.00 0.00 O ATOM 0 H ASP A 47 -12.465 -8.788 -5.454 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.935 -6.318 -5.181 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -15.703 -7.676 -4.449 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.876 -8.672 -5.630 1.00 0.00 H new ATOM 649 N ASN A 48 -11.929 -7.092 -2.954 1.00 0.00 N ATOM 650 CA ASN A 48 -11.405 -6.847 -1.621 1.00 0.00 C ATOM 651 C ASN A 48 -10.733 -5.473 -1.587 1.00 0.00 C ATOM 652 O ASN A 48 -10.613 -4.864 -0.525 1.00 0.00 O ATOM 653 CB ASN A 48 -10.358 -7.895 -1.240 1.00 0.00 C ATOM 654 CG ASN A 48 -10.880 -9.310 -1.496 1.00 0.00 C ATOM 655 OD1 ASN A 48 -12.020 -9.520 -1.878 1.00 0.00 O ATOM 656 ND2 ASN A 48 -9.985 -10.267 -1.265 1.00 0.00 N ATOM 0 H ASN A 48 -11.233 -7.390 -3.638 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.236 -6.895 -0.917 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.447 -7.730 -1.815 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.095 -7.785 -0.188 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.236 -11.245 -1.407 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.047 -10.022 -0.946 1.00 0.00 H new ATOM 663 N HIS A 49 -10.314 -5.025 -2.761 1.00 0.00 N ATOM 664 CA HIS A 49 -9.657 -3.734 -2.878 1.00 0.00 C ATOM 665 C HIS A 49 -10.684 -2.670 -3.268 1.00 0.00 C ATOM 666 O HIS A 49 -10.651 -1.552 -2.754 1.00 0.00 O ATOM 667 CB HIS A 49 -8.482 -3.810 -3.855 1.00 0.00 C ATOM 668 CG HIS A 49 -7.244 -4.455 -3.279 1.00 0.00 C ATOM 669 ND1 HIS A 49 -7.085 -5.827 -3.193 1.00 0.00 N ATOM 670 CD2 HIS A 49 -6.109 -3.903 -2.762 1.00 0.00 C ATOM 671 CE1 HIS A 49 -5.905 -6.078 -2.647 1.00 0.00 C ATOM 672 NE2 HIS A 49 -5.302 -4.884 -2.379 1.00 0.00 N ATOM 0 H HIS A 49 -10.417 -5.533 -3.640 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.236 -3.447 -1.915 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.793 -4.369 -4.738 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.233 -2.802 -4.187 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -7.762 -6.526 -3.498 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.902 -2.846 -2.679 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.492 -7.056 -2.449 1.00 0.00 H new ATOM 680 N LYS A 50 -11.573 -3.053 -4.172 1.00 0.00 N ATOM 681 CA LYS A 50 -12.609 -2.146 -4.636 1.00 0.00 C ATOM 682 C LYS A 50 -13.245 -1.447 -3.432 1.00 0.00 C ATOM 683 O LYS A 50 -13.090 -0.247 -3.217 1.00 0.00 O ATOM 684 CB LYS A 50 -13.614 -2.886 -5.519 1.00 0.00 C ATOM 685 CG LYS A 50 -13.173 -2.870 -6.984 1.00 0.00 C ATOM 686 CD LYS A 50 -14.199 -3.576 -7.874 1.00 0.00 C ATOM 687 CE LYS A 50 -14.117 -5.094 -7.706 1.00 0.00 C ATOM 688 NZ LYS A 50 -15.443 -5.649 -7.353 1.00 0.00 N ATOM 0 H LYS A 50 -11.597 -3.980 -4.596 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.179 -1.368 -5.267 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.715 -3.916 -5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -14.596 -2.422 -5.426 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.045 -1.840 -7.317 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.204 -3.360 -7.081 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.202 -3.232 -7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.024 -3.312 -8.917 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.760 -5.549 -8.630 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.394 -5.341 -6.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.369 -6.681 -7.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.769 -5.228 -6.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -16.124 -5.429 -8.108 1.00 0.00 H new ATOM 701 N PRO A 51 -13.976 -2.238 -2.643 1.00 0.00 N ATOM 702 CA PRO A 51 -14.665 -1.789 -1.452 1.00 0.00 C ATOM 703 C PRO A 51 -13.917 -0.612 -0.842 1.00 0.00 C ATOM 704 O PRO A 51 -14.558 0.366 -0.461 1.00 0.00 O ATOM 705 CB PRO A 51 -14.649 -2.993 -0.513 1.00 0.00 C ATOM 706 CG PRO A 51 -14.705 -4.190 -1.538 1.00 0.00 C ATOM 707 CD PRO A 51 -14.180 -3.652 -2.867 1.00 0.00 C ATOM 0 HA PRO A 51 -15.682 -1.451 -1.652 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.750 -3.021 0.103 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.501 -2.995 0.167 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -14.097 -5.026 -1.191 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -15.724 -4.560 -1.646 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.251 -4.145 -3.153 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -14.893 -3.825 -3.673 1.00 0.00 H new ATOM 715 N HIS A 52 -12.599 -0.724 -0.761 1.00 0.00 N ATOM 716 CA HIS A 52 -11.791 0.343 -0.194 1.00 0.00 C ATOM 717 C HIS A 52 -11.603 1.451 -1.231 1.00 0.00 C ATOM 718 O HIS A 52 -11.830 2.624 -0.939 1.00 0.00 O ATOM 719 CB HIS A 52 -10.464 -0.204 0.336 1.00 0.00 C ATOM 720 CG HIS A 52 -10.608 -1.098 1.545 1.00 0.00 C ATOM 721 ND1 HIS A 52 -10.226 -2.429 1.543 1.00 0.00 N ATOM 722 CD2 HIS A 52 -11.092 -0.839 2.793 1.00 0.00 C ATOM 723 CE1 HIS A 52 -10.476 -2.938 2.740 1.00 0.00 C ATOM 724 NE2 HIS A 52 -11.013 -1.951 3.514 1.00 0.00 N ATOM 0 H HIS A 52 -12.071 -1.537 -1.078 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.306 0.778 0.662 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -9.969 -0.762 -0.459 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -9.814 0.633 0.591 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.821 -2.932 0.754 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -11.475 0.110 3.137 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -10.288 -3.956 3.049 1.00 0.00 H new ATOM 732 N ASP A 53 -11.190 1.040 -2.421 1.00 0.00 N ATOM 733 CA ASP A 53 -10.969 1.984 -3.504 1.00 0.00 C ATOM 734 C ASP A 53 -11.669 3.304 -3.174 1.00 0.00 C ATOM 735 O ASP A 53 -12.892 3.401 -3.261 1.00 0.00 O ATOM 736 CB ASP A 53 -11.547 1.458 -4.819 1.00 0.00 C ATOM 737 CG ASP A 53 -11.401 2.404 -6.013 1.00 0.00 C ATOM 738 OD1 ASP A 53 -12.391 2.953 -6.518 1.00 0.00 O ATOM 739 OD2 ASP A 53 -10.192 2.570 -6.432 1.00 0.00 O ATOM 0 H ASP A 53 -11.003 0.066 -2.659 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.894 2.126 -3.614 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.059 0.514 -5.061 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.605 1.242 -4.673 1.00 0.00 H new ATOM 745 N GLY A 54 -10.863 4.288 -2.803 1.00 0.00 N ATOM 746 CA GLY A 54 -11.390 5.598 -2.461 1.00 0.00 C ATOM 747 C GLY A 54 -11.668 5.702 -0.960 1.00 0.00 C ATOM 748 O GLY A 54 -12.773 6.058 -0.553 1.00 0.00 O ATOM 0 H GLY A 54 -9.849 4.204 -2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.678 6.369 -2.757 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.309 5.781 -3.018 1.00 0.00 H new ATOM 752 N LEU A 55 -10.647 5.384 -0.177 1.00 0.00 N ATOM 753 CA LEU A 55 -10.768 5.436 1.270 1.00 0.00 C ATOM 754 C LEU A 55 -9.376 5.579 1.888 1.00 0.00 C ATOM 755 O LEU A 55 -9.058 6.610 2.479 1.00 0.00 O ATOM 756 CB LEU A 55 -11.550 4.227 1.786 1.00 0.00 C ATOM 757 CG LEU A 55 -13.043 4.450 2.034 1.00 0.00 C ATOM 758 CD1 LEU A 55 -13.738 3.140 2.412 1.00 0.00 C ATOM 759 CD2 LEU A 55 -13.268 5.541 3.083 1.00 0.00 C ATOM 0 H LEU A 55 -9.732 5.089 -0.518 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.343 6.311 1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.439 3.414 1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.093 3.894 2.718 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.495 4.798 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.798 3.327 2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -13.622 2.420 1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.289 2.739 3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.338 5.679 3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -12.798 5.246 4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.828 6.476 2.736 1.00 0.00 H new ATOM 771 N LEU A 56 -8.584 4.529 1.732 1.00 0.00 N ATOM 772 CA LEU A 56 -7.233 4.524 2.269 1.00 0.00 C ATOM 773 C LEU A 56 -6.246 4.183 1.150 1.00 0.00 C ATOM 774 O LEU A 56 -6.601 3.499 0.191 1.00 0.00 O ATOM 775 CB LEU A 56 -7.140 3.589 3.477 1.00 0.00 C ATOM 776 CG LEU A 56 -6.961 2.103 3.162 1.00 0.00 C ATOM 777 CD1 LEU A 56 -5.963 1.455 4.125 1.00 0.00 C ATOM 778 CD2 LEU A 56 -8.308 1.377 3.159 1.00 0.00 C ATOM 0 H LEU A 56 -8.851 3.676 1.242 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.966 5.514 2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.304 3.912 4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.045 3.707 4.074 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.545 2.014 2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.854 0.399 3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.996 1.950 4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.327 1.554 5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.152 0.322 2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.775 1.472 4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.958 1.818 2.403 1.00 0.00 H new ATOM 790 N MET A 57 -5.027 4.676 1.310 1.00 0.00 N ATOM 791 CA MET A 57 -3.986 4.433 0.326 1.00 0.00 C ATOM 792 C MET A 57 -3.445 3.007 0.441 1.00 0.00 C ATOM 793 O MET A 57 -3.803 2.276 1.364 1.00 0.00 O ATOM 794 CB MET A 57 -2.845 5.431 0.532 1.00 0.00 C ATOM 795 CG MET A 57 -3.343 6.870 0.391 1.00 0.00 C ATOM 796 SD MET A 57 -2.999 7.785 1.885 1.00 0.00 S ATOM 797 CE MET A 57 -4.468 8.796 1.974 1.00 0.00 C ATOM 0 H MET A 57 -4.737 5.243 2.107 1.00 0.00 H new ATOM 0 HA MET A 57 -4.415 4.559 -0.668 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.407 5.289 1.520 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.056 5.242 -0.196 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.858 7.350 -0.459 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.414 6.875 0.191 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.418 9.434 2.856 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.537 9.417 1.081 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.347 8.155 2.040 1.00 0.00 H new ATOM 807 N CYS A 58 -2.592 2.653 -0.509 1.00 0.00 N ATOM 808 CA CYS A 58 -1.998 1.327 -0.525 1.00 0.00 C ATOM 809 C CYS A 58 -1.157 1.161 0.743 1.00 0.00 C ATOM 810 O CYS A 58 -1.519 0.397 1.636 1.00 0.00 O ATOM 811 CB CYS A 58 -1.172 1.092 -1.792 1.00 0.00 C ATOM 812 SG CYS A 58 -1.964 1.663 -3.340 1.00 0.00 S ATOM 0 H CYS A 58 -2.298 3.261 -1.273 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.786 0.574 -0.539 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.213 1.598 -1.683 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.962 0.026 -1.879 1.00 0.00 H new ATOM 817 N ALA A 59 -0.052 1.890 0.780 1.00 0.00 N ATOM 818 CA ALA A 59 0.843 1.834 1.924 1.00 0.00 C ATOM 819 C ALA A 59 0.017 1.721 3.207 1.00 0.00 C ATOM 820 O ALA A 59 0.253 0.834 4.026 1.00 0.00 O ATOM 821 CB ALA A 59 1.753 3.063 1.922 1.00 0.00 C ATOM 0 H ALA A 59 0.244 2.523 0.037 1.00 0.00 H new ATOM 0 HA ALA A 59 1.484 0.955 1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.424 3.020 2.780 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.339 3.080 1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.145 3.966 1.981 1.00 0.00 H new ATOM 827 N ASP A 60 -0.933 2.634 3.343 1.00 0.00 N ATOM 828 CA ASP A 60 -1.795 2.649 4.512 1.00 0.00 C ATOM 829 C ASP A 60 -2.080 1.211 4.949 1.00 0.00 C ATOM 830 O ASP A 60 -2.234 0.938 6.139 1.00 0.00 O ATOM 831 CB ASP A 60 -3.134 3.322 4.202 1.00 0.00 C ATOM 832 CG ASP A 60 -3.036 4.789 3.776 1.00 0.00 C ATOM 833 OD1 ASP A 60 -1.936 5.348 3.659 1.00 0.00 O ATOM 834 OD2 ASP A 60 -4.167 5.369 3.557 1.00 0.00 O ATOM 0 H ASP A 60 -1.125 3.369 2.662 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.285 3.205 5.298 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.631 2.761 3.410 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.769 3.257 5.085 1.00 0.00 H new ATOM 840 N CYS A 61 -2.141 0.328 3.963 1.00 0.00 N ATOM 841 CA CYS A 61 -2.405 -1.076 4.230 1.00 0.00 C ATOM 842 C CYS A 61 -1.102 -1.854 4.038 1.00 0.00 C ATOM 843 O CYS A 61 -0.656 -2.559 4.943 1.00 0.00 O ATOM 844 CB CYS A 61 -3.530 -1.619 3.347 1.00 0.00 C ATOM 845 SG CYS A 61 -5.067 -1.790 4.325 1.00 0.00 S ATOM 0 H CYS A 61 -2.012 0.558 2.978 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.750 -1.195 5.257 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.698 -0.948 2.505 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.244 -2.586 2.932 1.00 0.00 H new ATOM 850 N HIS A 62 -0.527 -1.701 2.854 1.00 0.00 N ATOM 851 CA HIS A 62 0.716 -2.381 2.532 1.00 0.00 C ATOM 852 C HIS A 62 1.898 -1.570 3.067 1.00 0.00 C ATOM 853 O HIS A 62 2.787 -1.187 2.309 1.00 0.00 O ATOM 854 CB HIS A 62 0.814 -2.650 1.028 1.00 0.00 C ATOM 855 CG HIS A 62 -0.269 -3.557 0.495 1.00 0.00 C ATOM 856 ND1 HIS A 62 -0.417 -4.870 0.909 1.00 0.00 N ATOM 857 CD2 HIS A 62 -1.253 -3.328 -0.421 1.00 0.00 C ATOM 858 CE1 HIS A 62 -1.447 -5.397 0.263 1.00 0.00 C ATOM 859 NE2 HIS A 62 -1.963 -4.441 -0.561 1.00 0.00 N ATOM 0 H HIS A 62 -0.899 -1.116 2.106 1.00 0.00 H new ATOM 0 HA HIS A 62 0.738 -3.356 3.019 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.772 -1.700 0.496 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.785 -3.094 0.811 1.00 0.00 H new ATOM 0 HD1 HIS A 62 0.167 -5.350 1.594 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.425 -2.399 -0.944 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.814 -6.407 0.370 1.00 0.00 H new ATOM 867 N ALA A 63 1.869 -1.334 4.371 1.00 0.00 N ATOM 868 CA ALA A 63 2.927 -0.576 5.017 1.00 0.00 C ATOM 869 C ALA A 63 4.276 -0.973 4.412 1.00 0.00 C ATOM 870 O ALA A 63 4.883 -1.978 4.776 1.00 0.00 O ATOM 871 CB ALA A 63 2.874 -0.810 6.528 1.00 0.00 C ATOM 0 H ALA A 63 1.130 -1.654 4.997 1.00 0.00 H new ATOM 0 HA ALA A 63 2.792 0.492 4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.668 -0.241 7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.908 -0.484 6.913 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.009 -1.871 6.737 1.00 0.00 H new ATOM 877 N PRO A 64 4.735 -0.150 3.467 1.00 0.00 N ATOM 878 CA PRO A 64 5.987 -0.332 2.765 1.00 0.00 C ATOM 879 C PRO A 64 7.144 -0.238 3.749 1.00 0.00 C ATOM 880 O PRO A 64 7.932 -1.178 3.832 1.00 0.00 O ATOM 881 CB PRO A 64 6.037 0.808 1.750 1.00 0.00 C ATOM 882 CG PRO A 64 4.552 1.271 1.593 1.00 0.00 C ATOM 883 CD PRO A 64 4.047 1.039 3.015 1.00 0.00 C ATOM 0 HA PRO A 64 6.062 -1.305 2.279 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.670 1.623 2.102 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.449 0.472 0.798 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.471 2.314 1.288 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.007 0.680 0.856 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.269 1.892 3.657 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.966 0.900 3.032 1.00 0.00 H new ATOM 891 N HIS A 65 7.225 0.875 4.464 1.00 0.00 N ATOM 892 CA HIS A 65 8.293 1.066 5.431 1.00 0.00 C ATOM 893 C HIS A 65 7.940 0.345 6.734 1.00 0.00 C ATOM 894 O HIS A 65 7.860 0.968 7.791 1.00 0.00 O ATOM 895 CB HIS A 65 8.579 2.555 5.637 1.00 0.00 C ATOM 896 CG HIS A 65 9.220 3.227 4.447 1.00 0.00 C ATOM 897 ND1 HIS A 65 10.387 2.765 3.863 1.00 0.00 N ATOM 898 CD2 HIS A 65 8.845 4.329 3.737 1.00 0.00 C ATOM 899 CE1 HIS A 65 10.691 3.562 2.849 1.00 0.00 C ATOM 900 NE2 HIS A 65 9.735 4.531 2.773 1.00 0.00 N ATOM 0 H HIS A 65 6.569 1.653 4.393 1.00 0.00 H new ATOM 0 HA HIS A 65 9.215 0.627 5.051 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.644 3.065 5.870 1.00 0.00 H new ATOM 0 HB3 HIS A 65 9.231 2.673 6.503 1.00 0.00 H new ATOM 0 HD1 HIS A 65 10.922 1.950 4.162 1.00 0.00 H new ATOM 0 HD2 HIS A 65 7.972 4.935 3.927 1.00 0.00 H new ATOM 0 HE1 HIS A 65 11.546 3.462 2.197 1.00 0.00 H new ATOM 908 N GLU A 66 7.740 -0.960 6.615 1.00 0.00 N ATOM 909 CA GLU A 66 7.398 -1.773 7.770 1.00 0.00 C ATOM 910 C GLU A 66 7.101 -3.210 7.338 1.00 0.00 C ATOM 911 O GLU A 66 7.757 -4.147 7.790 1.00 0.00 O ATOM 912 CB GLU A 66 6.215 -1.173 8.532 1.00 0.00 C ATOM 913 CG GLU A 66 6.495 -1.132 10.035 1.00 0.00 C ATOM 914 CD GLU A 66 6.207 0.257 10.609 1.00 0.00 C ATOM 915 OE1 GLU A 66 5.140 0.474 11.201 1.00 0.00 O ATOM 916 OE2 GLU A 66 7.140 1.128 10.423 1.00 0.00 O ATOM 0 H GLU A 66 7.808 -1.474 5.737 1.00 0.00 H new ATOM 0 HA GLU A 66 8.253 -1.787 8.446 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.017 -0.165 8.168 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.318 -1.763 8.341 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.880 -1.874 10.543 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.535 -1.398 10.222 1.00 0.00 H new ATOM 924 N ALA A 67 6.111 -3.339 6.466 1.00 0.00 N ATOM 925 CA ALA A 67 5.719 -4.647 5.968 1.00 0.00 C ATOM 926 C ALA A 67 6.885 -5.264 5.195 1.00 0.00 C ATOM 927 O ALA A 67 7.831 -4.568 4.831 1.00 0.00 O ATOM 928 CB ALA A 67 4.459 -4.509 5.111 1.00 0.00 C ATOM 0 H ALA A 67 5.569 -2.560 6.092 1.00 0.00 H new ATOM 0 HA ALA A 67 5.480 -5.317 6.794 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.164 -5.489 4.737 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.652 -4.093 5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.662 -3.846 4.270 1.00 0.00 H new ATOM 934 N LYS A 68 6.780 -6.565 4.967 1.00 0.00 N ATOM 935 CA LYS A 68 7.814 -7.285 4.244 1.00 0.00 C ATOM 936 C LYS A 68 7.175 -8.079 3.103 1.00 0.00 C ATOM 937 O LYS A 68 6.168 -8.757 3.302 1.00 0.00 O ATOM 938 CB LYS A 68 8.641 -8.143 5.203 1.00 0.00 C ATOM 939 CG LYS A 68 9.105 -7.325 6.410 1.00 0.00 C ATOM 940 CD LYS A 68 8.703 -8.003 7.720 1.00 0.00 C ATOM 941 CE LYS A 68 9.599 -7.546 8.873 1.00 0.00 C ATOM 942 NZ LYS A 68 9.651 -8.580 9.931 1.00 0.00 N ATOM 0 H LYS A 68 5.994 -7.139 5.271 1.00 0.00 H new ATOM 0 HA LYS A 68 8.518 -6.587 3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.047 -8.992 5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.507 -8.548 4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.188 -7.204 6.377 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.671 -6.326 6.365 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.663 -7.771 7.949 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.771 -9.085 7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.604 -7.346 8.503 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.220 -6.612 9.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.263 -8.254 10.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.692 -8.752 10.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.034 -9.462 9.536 1.00 0.00 H new ATOM 955 N VAL A 69 7.786 -7.969 1.933 1.00 0.00 N ATOM 956 CA VAL A 69 7.289 -8.669 0.760 1.00 0.00 C ATOM 957 C VAL A 69 6.712 -10.021 1.185 1.00 0.00 C ATOM 958 O VAL A 69 7.368 -10.785 1.891 1.00 0.00 O ATOM 959 CB VAL A 69 8.400 -8.794 -0.284 1.00 0.00 C ATOM 960 CG1 VAL A 69 8.279 -10.109 -1.057 1.00 0.00 C ATOM 961 CG2 VAL A 69 8.396 -7.596 -1.236 1.00 0.00 C ATOM 0 H VAL A 69 8.621 -7.406 1.772 1.00 0.00 H new ATOM 0 HA VAL A 69 6.483 -8.105 0.291 1.00 0.00 H new ATOM 0 HB VAL A 69 9.355 -8.800 0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.080 -10.173 -1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.355 -10.947 -0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.316 -10.145 -1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.196 -7.710 -1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.437 -7.544 -1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.553 -6.679 -0.668 1.00 0.00 H new ATOM 971 N GLY A 70 5.491 -10.274 0.737 1.00 0.00 N ATOM 972 CA GLY A 70 4.819 -11.521 1.062 1.00 0.00 C ATOM 973 C GLY A 70 4.130 -11.433 2.425 1.00 0.00 C ATOM 974 O GLY A 70 4.111 -12.405 3.179 1.00 0.00 O ATOM 0 H GLY A 70 4.950 -9.637 0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.083 -11.753 0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.542 -12.337 1.068 1.00 0.00 H new ATOM 978 N GLU A 71 3.580 -10.259 2.700 1.00 0.00 N ATOM 979 CA GLU A 71 2.892 -10.032 3.959 1.00 0.00 C ATOM 980 C GLU A 71 1.402 -9.788 3.713 1.00 0.00 C ATOM 981 O GLU A 71 1.032 -9.063 2.791 1.00 0.00 O ATOM 982 CB GLU A 71 3.519 -8.865 4.724 1.00 0.00 C ATOM 983 CG GLU A 71 4.361 -9.368 5.898 1.00 0.00 C ATOM 984 CD GLU A 71 3.589 -9.255 7.214 1.00 0.00 C ATOM 985 OE1 GLU A 71 3.685 -8.228 7.903 1.00 0.00 O ATOM 986 OE2 GLU A 71 2.870 -10.282 7.514 1.00 0.00 O ATOM 0 H GLU A 71 3.597 -9.455 2.072 1.00 0.00 H new ATOM 0 HA GLU A 71 2.998 -10.926 4.574 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.142 -8.277 4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.735 -8.203 5.092 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.646 -10.406 5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.283 -8.791 5.962 1.00 0.00 H new ATOM 994 N LYS A 72 0.586 -10.408 4.553 1.00 0.00 N ATOM 995 CA LYS A 72 -0.855 -10.268 4.438 1.00 0.00 C ATOM 996 C LYS A 72 -1.383 -9.469 5.632 1.00 0.00 C ATOM 997 O LYS A 72 -1.531 -9.975 6.742 1.00 0.00 O ATOM 998 CB LYS A 72 -1.516 -11.638 4.275 1.00 0.00 C ATOM 999 CG LYS A 72 -1.405 -12.132 2.832 1.00 0.00 C ATOM 1000 CD LYS A 72 -2.762 -12.608 2.309 1.00 0.00 C ATOM 1001 CE LYS A 72 -2.844 -14.135 2.306 1.00 0.00 C ATOM 1002 NZ LYS A 72 -2.121 -14.692 1.141 1.00 0.00 N ATOM 0 H LYS A 72 0.896 -11.009 5.317 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.112 -9.707 3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.044 -12.356 4.946 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.566 -11.576 4.562 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.028 -11.330 2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.684 -12.948 2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.559 -12.199 2.930 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.919 -12.230 1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.418 -14.529 3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.887 -14.449 2.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.187 -15.730 1.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.546 -14.330 0.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.121 -14.408 1.185 1.00 0.00 H new ATOM 1015 N PRO A 73 -1.666 -8.190 5.374 1.00 0.00 N ATOM 1016 CA PRO A 73 -2.177 -7.254 6.352 1.00 0.00 C ATOM 1017 C PRO A 73 -3.350 -7.880 7.093 1.00 0.00 C ATOM 1018 O PRO A 73 -3.986 -8.780 6.546 1.00 0.00 O ATOM 1019 CB PRO A 73 -2.626 -6.043 5.538 1.00 0.00 C ATOM 1020 CG PRO A 73 -1.638 -6.065 4.350 1.00 0.00 C ATOM 1021 CD PRO A 73 -1.504 -7.562 4.081 1.00 0.00 C ATOM 0 HA PRO A 73 -1.437 -6.978 7.103 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.661 -6.135 5.209 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.554 -5.118 6.110 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.027 -5.528 3.485 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.682 -5.608 4.605 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.262 -7.906 3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.533 -7.800 3.646 1.00 0.00 H new ATOM 1029 N THR A 74 -3.611 -7.404 8.302 1.00 0.00 N ATOM 1030 CA THR A 74 -4.708 -7.934 9.094 1.00 0.00 C ATOM 1031 C THR A 74 -5.817 -6.889 9.235 1.00 0.00 C ATOM 1032 O THR A 74 -5.540 -5.713 9.465 1.00 0.00 O ATOM 1033 CB THR A 74 -4.141 -8.402 10.435 1.00 0.00 C ATOM 1034 OG1 THR A 74 -3.522 -7.238 10.976 1.00 0.00 O ATOM 1035 CG2 THR A 74 -2.988 -9.395 10.268 1.00 0.00 C ATOM 0 H THR A 74 -3.082 -6.657 8.752 1.00 0.00 H new ATOM 0 HA THR A 74 -5.171 -8.791 8.604 1.00 0.00 H new ATOM 0 HB THR A 74 -4.934 -8.862 11.024 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.197 -6.687 11.425 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.622 -9.696 11.250 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.340 -10.274 9.727 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.180 -8.924 9.708 1.00 0.00 H new ATOM 1043 N CYS A 75 -7.048 -7.356 9.090 1.00 0.00 N ATOM 1044 CA CYS A 75 -8.200 -6.476 9.199 1.00 0.00 C ATOM 1045 C CYS A 75 -8.294 -5.984 10.644 1.00 0.00 C ATOM 1046 O CYS A 75 -8.550 -4.806 10.888 1.00 0.00 O ATOM 1047 CB CYS A 75 -9.486 -7.170 8.747 1.00 0.00 C ATOM 1048 SG CYS A 75 -9.318 -8.192 7.238 1.00 0.00 S ATOM 0 H CYS A 75 -7.273 -8.332 8.898 1.00 0.00 H new ATOM 0 HA CYS A 75 -8.073 -5.622 8.534 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -9.845 -7.802 9.559 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -10.249 -6.412 8.572 1.00 0.00 H new ATOM 1053 N ASP A 76 -8.083 -6.912 11.566 1.00 0.00 N ATOM 1054 CA ASP A 76 -8.141 -6.588 12.982 1.00 0.00 C ATOM 1055 C ASP A 76 -7.450 -5.244 13.221 1.00 0.00 C ATOM 1056 O ASP A 76 -7.784 -4.530 14.165 1.00 0.00 O ATOM 1057 CB ASP A 76 -7.420 -7.646 13.819 1.00 0.00 C ATOM 1058 CG ASP A 76 -8.247 -8.894 14.134 1.00 0.00 C ATOM 1059 OD1 ASP A 76 -8.255 -9.866 13.364 1.00 0.00 O ATOM 1060 OD2 ASP A 76 -8.912 -8.843 15.239 1.00 0.00 O ATOM 0 H ASP A 76 -7.872 -7.888 11.360 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.190 -6.549 13.277 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.516 -7.951 13.292 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.104 -7.192 14.758 1.00 0.00 H new ATOM 1066 N THR A 77 -6.498 -4.940 12.351 1.00 0.00 N ATOM 1067 CA THR A 77 -5.757 -3.695 12.456 1.00 0.00 C ATOM 1068 C THR A 77 -6.715 -2.502 12.444 1.00 0.00 C ATOM 1069 O THR A 77 -6.548 -1.560 13.217 1.00 0.00 O ATOM 1070 CB THR A 77 -4.729 -3.660 11.323 1.00 0.00 C ATOM 1071 OG1 THR A 77 -4.194 -4.980 11.299 1.00 0.00 O ATOM 1072 CG2 THR A 77 -3.525 -2.776 11.653 1.00 0.00 C ATOM 0 H THR A 77 -6.223 -5.535 11.570 1.00 0.00 H new ATOM 0 HA THR A 77 -5.221 -3.632 13.403 1.00 0.00 H new ATOM 0 HB THR A 77 -5.205 -3.299 10.411 1.00 0.00 H new ATOM 0 HG1 THR A 77 -4.101 -5.278 10.370 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.826 -2.786 10.817 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.862 -1.755 11.833 1.00 0.00 H new ATOM 0 HG23 THR A 77 -3.028 -3.156 12.545 1.00 0.00 H new ATOM 1080 N CYS A 78 -7.697 -2.581 11.558 1.00 0.00 N ATOM 1081 CA CYS A 78 -8.682 -1.519 11.436 1.00 0.00 C ATOM 1082 C CYS A 78 -10.045 -2.079 11.845 1.00 0.00 C ATOM 1083 O CYS A 78 -10.744 -1.485 12.665 1.00 0.00 O ATOM 1084 CB CYS A 78 -8.707 -0.931 10.024 1.00 0.00 C ATOM 1085 SG CYS A 78 -7.312 0.234 9.806 1.00 0.00 S ATOM 0 H CYS A 78 -7.832 -3.364 10.918 1.00 0.00 H new ATOM 0 HA CYS A 78 -8.416 -0.695 12.098 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -8.642 -1.731 9.287 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -9.652 -0.416 9.852 1.00 0.00 H new ATOM 1090 N HIS A 79 -10.384 -3.216 11.255 1.00 0.00 N ATOM 1091 CA HIS A 79 -11.651 -3.863 11.548 1.00 0.00 C ATOM 1092 C HIS A 79 -11.461 -4.879 12.675 1.00 0.00 C ATOM 1093 O HIS A 79 -11.137 -6.039 12.423 1.00 0.00 O ATOM 1094 CB HIS A 79 -12.249 -4.485 10.284 1.00 0.00 C ATOM 1095 CG HIS A 79 -12.309 -3.543 9.105 1.00 0.00 C ATOM 1096 ND1 HIS A 79 -12.976 -2.331 9.147 1.00 0.00 N ATOM 1097 CD2 HIS A 79 -11.778 -3.647 7.853 1.00 0.00 C ATOM 1098 CE1 HIS A 79 -12.846 -1.741 7.968 1.00 0.00 C ATOM 1099 NE2 HIS A 79 -12.104 -2.558 7.167 1.00 0.00 N ATOM 0 H HIS A 79 -9.803 -3.706 10.575 1.00 0.00 H new ATOM 0 HA HIS A 79 -12.370 -3.120 11.893 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -11.659 -5.359 10.008 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -13.256 -4.837 10.506 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -13.482 -1.956 9.949 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -11.192 -4.475 7.482 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -13.256 -0.781 7.690 1.00 0.00 H new ATOM 1107 N ASP A 80 -11.669 -4.407 13.896 1.00 0.00 N ATOM 1108 CA ASP A 80 -11.524 -5.261 15.063 1.00 0.00 C ATOM 1109 C ASP A 80 -12.875 -5.898 15.394 1.00 0.00 C ATOM 1110 O ASP A 80 -13.193 -6.116 16.562 1.00 0.00 O ATOM 1111 CB ASP A 80 -11.070 -4.454 16.281 1.00 0.00 C ATOM 1112 CG ASP A 80 -9.745 -3.709 16.107 1.00 0.00 C ATOM 1113 OD1 ASP A 80 -9.702 -2.609 15.537 1.00 0.00 O ATOM 1114 OD2 ASP A 80 -8.713 -4.313 16.591 1.00 0.00 O ATOM 0 H ASP A 80 -11.937 -3.445 14.102 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.777 -6.022 14.835 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.847 -3.730 16.528 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.981 -5.129 17.132 1.00 0.00 H new ATOM 1120 N ASP A 81 -13.634 -6.179 14.345 1.00 0.00 N ATOM 1121 CA ASP A 81 -14.943 -6.788 14.510 1.00 0.00 C ATOM 1122 C ASP A 81 -14.886 -8.245 14.047 1.00 0.00 C ATOM 1123 O ASP A 81 -15.918 -8.852 13.768 1.00 0.00 O ATOM 1124 CB ASP A 81 -15.996 -6.065 13.668 1.00 0.00 C ATOM 1125 CG ASP A 81 -15.661 -5.942 12.180 1.00 0.00 C ATOM 1126 OD1 ASP A 81 -15.123 -6.876 11.567 1.00 0.00 O ATOM 1127 OD2 ASP A 81 -15.981 -4.815 11.640 1.00 0.00 O ATOM 0 H ASP A 81 -13.368 -5.996 13.378 1.00 0.00 H new ATOM 0 HA ASP A 81 -15.215 -6.722 15.563 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.945 -6.592 13.769 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -16.142 -5.065 14.076 1.00 0.00 H new ATOM 1133 N GLY A 82 -13.668 -8.763 13.979 1.00 0.00 N ATOM 1134 CA GLY A 82 -13.463 -10.137 13.554 1.00 0.00 C ATOM 1135 C GLY A 82 -13.130 -10.206 12.062 1.00 0.00 C ATOM 1136 O GLY A 82 -12.614 -11.215 11.584 1.00 0.00 O ATOM 0 H GLY A 82 -12.814 -8.256 14.211 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.654 -10.583 14.132 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.360 -10.722 13.757 1.00 0.00 H new ATOM 1140 N ARG A 83 -13.438 -9.120 11.369 1.00 0.00 N ATOM 1141 CA ARG A 83 -13.178 -9.045 9.941 1.00 0.00 C ATOM 1142 C ARG A 83 -11.887 -9.790 9.597 1.00 0.00 C ATOM 1143 O ARG A 83 -10.870 -9.620 10.267 1.00 0.00 O ATOM 1144 CB ARG A 83 -13.057 -7.591 9.480 1.00 0.00 C ATOM 1145 CG ARG A 83 -14.084 -7.275 8.390 1.00 0.00 C ATOM 1146 CD ARG A 83 -15.487 -7.712 8.815 1.00 0.00 C ATOM 1147 NE ARG A 83 -16.401 -6.548 8.815 1.00 0.00 N ATOM 1148 CZ ARG A 83 -17.101 -6.136 7.736 1.00 0.00 C ATOM 1149 NH1 ARG A 83 -16.997 -6.791 6.561 1.00 0.00 N ATOM 1150 NH2 ARG A 83 -17.889 -5.082 7.849 1.00 0.00 N ATOM 0 H ARG A 83 -13.865 -8.285 11.769 1.00 0.00 H new ATOM 0 HA ARG A 83 -14.018 -9.510 9.426 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.205 -6.923 10.329 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -12.051 -7.408 9.101 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.080 -6.205 8.181 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.806 -7.781 7.466 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.860 -8.478 8.135 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.453 -8.158 9.809 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.509 -6.024 9.684 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -16.386 -7.604 6.483 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -17.529 -6.473 5.751 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -17.962 -4.593 8.741 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -18.425 -4.757 7.044 1.00 0.00 H new ATOM 1160 N THR A 84 -11.970 -10.601 8.552 1.00 0.00 N ATOM 1161 CA THR A 84 -10.821 -11.373 8.111 1.00 0.00 C ATOM 1162 C THR A 84 -10.680 -11.297 6.589 1.00 0.00 C ATOM 1163 O THR A 84 -11.653 -11.032 5.885 1.00 0.00 O ATOM 1164 CB THR A 84 -10.982 -12.802 8.635 1.00 0.00 C ATOM 1165 OG1 THR A 84 -12.348 -13.115 8.376 1.00 0.00 O ATOM 1166 CG2 THR A 84 -10.864 -12.884 10.158 1.00 0.00 C ATOM 0 H THR A 84 -12.815 -10.740 7.998 1.00 0.00 H new ATOM 0 HA THR A 84 -9.893 -10.966 8.513 1.00 0.00 H new ATOM 0 HB THR A 84 -10.229 -13.443 8.177 1.00 0.00 H new ATOM 0 HG1 THR A 84 -12.539 -14.026 8.683 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.986 -13.919 10.477 1.00 0.00 H new ATOM 0 HG22 THR A 84 -9.883 -12.522 10.467 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.639 -12.269 10.617 1.00 0.00 H new ATOM 1174 N ALA A 85 -9.461 -11.533 6.128 1.00 0.00 N ATOM 1175 CA ALA A 85 -9.179 -11.494 4.703 1.00 0.00 C ATOM 1176 C ALA A 85 -10.020 -12.557 3.992 1.00 0.00 C ATOM 1177 O ALA A 85 -10.441 -13.535 4.608 1.00 0.00 O ATOM 1178 CB ALA A 85 -7.679 -11.688 4.473 1.00 0.00 C ATOM 0 H ALA A 85 -8.657 -11.752 6.716 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.450 -10.525 4.285 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.468 -11.659 3.404 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.128 -10.892 4.974 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.371 -12.652 4.877 1.00 0.00 H new ATOM 1184 N LYS A 86 -10.240 -12.329 2.706 1.00 0.00 N ATOM 1185 CA LYS A 86 -11.023 -13.254 1.905 1.00 0.00 C ATOM 1186 C LYS A 86 -10.132 -13.863 0.820 1.00 0.00 C ATOM 1187 O LYS A 86 -9.270 -14.691 1.112 1.00 0.00 O ATOM 1188 CB LYS A 86 -12.273 -12.564 1.357 1.00 0.00 C ATOM 1189 CG LYS A 86 -13.507 -13.453 1.522 1.00 0.00 C ATOM 1190 CD LYS A 86 -14.705 -12.874 0.766 1.00 0.00 C ATOM 1191 CE LYS A 86 -15.844 -13.892 0.681 1.00 0.00 C ATOM 1192 NZ LYS A 86 -15.435 -15.061 -0.130 1.00 0.00 N ATOM 0 H LYS A 86 -9.889 -11.517 2.198 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.386 -14.077 2.521 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.429 -11.619 1.878 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.129 -12.327 0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -13.289 -14.455 1.153 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.752 -13.549 2.580 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.055 -11.972 1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.399 -12.581 -0.238 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -16.125 -14.217 1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.724 -13.425 0.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.281 -15.556 -0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.866 -14.740 -0.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.870 -15.709 0.455 1.00 0.00 H new TER 1205 LYS A 86 HETATM 1206 FE HEM A 218 9.680 5.874 1.456 1.00 0.00 FE HETATM 1207 CHA HEM A 218 7.655 7.791 3.584 1.00 0.00 C HETATM 1208 CHB HEM A 218 12.462 7.306 2.965 1.00 0.00 C HETATM 1209 CHC HEM A 218 11.693 4.150 -0.665 1.00 0.00 C HETATM 1210 CHD HEM A 218 6.859 4.684 -0.081 1.00 0.00 C HETATM 1211 NA HEM A 218 9.984 7.291 2.944 1.00 0.00 N HETATM 1212 C1A HEM A 218 9.033 7.909 3.736 1.00 0.00 C HETATM 1213 C2A HEM A 218 9.671 8.703 4.759 1.00 0.00 C HETATM 1214 C3A HEM A 218 11.004 8.571 4.590 1.00 0.00 C HETATM 1215 C4A HEM A 218 11.204 7.693 3.461 1.00 0.00 C HETATM 1216 CMA HEM A 218 12.104 9.197 5.396 1.00 0.00 C HETATM 1217 CAA HEM A 218 8.947 9.511 5.796 1.00 0.00 C HETATM 1218 CBA HEM A 218 9.822 10.542 6.503 1.00 0.00 C HETATM 1219 CGA HEM A 218 9.005 11.380 7.475 1.00 0.00 C HETATM 1220 O1A HEM A 218 7.832 11.655 7.141 1.00 0.00 O HETATM 1221 O2A HEM A 218 9.568 11.731 8.535 1.00 0.00 O HETATM 1222 NB HEM A 218 11.661 5.810 1.174 1.00 0.00 N HETATM 1223 C1B HEM A 218 12.657 6.368 1.956 1.00 0.00 C HETATM 1224 C2B HEM A 218 13.946 5.840 1.577 1.00 0.00 C HETATM 1225 C3B HEM A 218 13.736 4.964 0.571 1.00 0.00 C HETATM 1226 C4B HEM A 218 12.315 4.943 0.317 1.00 0.00 C HETATM 1227 CMB HEM A 218 15.251 6.221 2.213 1.00 0.00 C HETATM 1228 CAB HEM A 218 14.755 4.148 -0.170 1.00 0.00 C HETATM 1229 CBB HEM A 218 15.508 3.151 0.705 1.00 0.00 C HETATM 1230 NC HEM A 218 9.333 4.577 0.002 1.00 0.00 N HETATM 1231 C1C HEM A 218 10.280 4.023 -0.842 1.00 0.00 C HETATM 1232 C2C HEM A 218 9.638 3.398 -1.974 1.00 0.00 C HETATM 1233 C3C HEM A 218 8.308 3.571 -1.822 1.00 0.00 C HETATM 1234 C4C HEM A 218 8.113 4.305 -0.593 1.00 0.00 C HETATM 1235 CMC HEM A 218 10.357 2.697 -3.090 1.00 0.00 C HETATM 1236 CAC HEM A 218 7.206 3.107 -2.729 1.00 0.00 C HETATM 1237 CBC HEM A 218 7.278 1.625 -3.086 1.00 0.00 C HETATM 1238 ND HEM A 218 7.674 6.155 1.724 1.00 0.00 N HETATM 1239 C1D HEM A 218 6.672 5.608 0.941 1.00 0.00 C HETATM 1240 C2D HEM A 218 5.385 6.134 1.334 1.00 0.00 C HETATM 1241 C3D HEM A 218 5.603 6.996 2.350 1.00 0.00 C HETATM 1242 C4D HEM A 218 7.025 7.012 2.596 1.00 0.00 C HETATM 1243 CMD HEM A 218 4.076 5.762 0.701 1.00 0.00 C HETATM 1244 CAD HEM A 218 4.590 7.804 3.108 1.00 0.00 C HETATM 1245 CBD HEM A 218 3.360 8.185 2.289 1.00 0.00 C HETATM 1246 CGD HEM A 218 2.151 7.358 2.702 1.00 0.00 C HETATM 1247 O1D HEM A 218 1.979 7.175 3.927 1.00 0.00 O HETATM 1248 O2D HEM A 218 1.420 6.925 1.785 1.00 0.00 O HETATM 0 HMA1 HEM A 218 12.976 8.543 5.392 1.00 0.00 H new HETATM 0 HMA2 HEM A 218 11.765 9.344 6.422 1.00 0.00 H new HETATM 0 HMA3 HEM A 218 12.371 10.160 4.961 1.00 0.00 H new HETATM 0 HMB1 HEM A 218 15.194 7.248 2.574 1.00 0.00 H new HETATM 0 HMB2 HEM A 218 16.052 6.139 1.478 1.00 0.00 H new HETATM 0 HMB3 HEM A 218 15.457 5.553 3.050 1.00 0.00 H new HETATM 0 HMC1 HEM A 218 11.339 3.149 -3.231 1.00 0.00 H new HETATM 0 HMC2 HEM A 218 9.779 2.790 -4.010 1.00 0.00 H new HETATM 0 HMC3 HEM A 218 10.476 1.643 -2.841 1.00 0.00 H new HETATM 0 HMD1 HEM A 218 3.280 5.837 1.441 1.00 0.00 H new HETATM 0 HMD2 HEM A 218 4.130 4.739 0.328 1.00 0.00 H new HETATM 0 HMD3 HEM A 218 3.867 6.440 -0.127 1.00 0.00 H new HETATM 0 HBB1 HEM A 218 16.271 2.508 0.266 1.00 0.00 H new HETATM 0 HBB2 HEM A 218 15.283 3.081 1.769 1.00 0.00 H new HETATM 0 HBC1 HEM A 218 6.525 1.185 -3.740 1.00 0.00 H new HETATM 0 HBC2 HEM A 218 8.082 1.007 -2.687 1.00 0.00 H new HETATM 0 HBA1 HEM A 218 10.293 11.191 5.765 1.00 0.00 H new HETATM 0 HBA2 HEM A 218 10.624 10.036 7.040 1.00 0.00 H new HETATM 0 HAA1 HEM A 218 8.527 8.835 6.540 1.00 0.00 H new HETATM 0 HAA2 HEM A 218 8.110 10.024 5.323 1.00 0.00 H new HETATM 0 HBD1 HEM A 218 3.564 8.034 1.229 1.00 0.00 H new HETATM 0 HBD2 HEM A 218 3.143 9.245 2.424 1.00 0.00 H new HETATM 0 HAD1 HEM A 218 5.066 8.714 3.474 1.00 0.00 H new HETATM 0 HAD2 HEM A 218 4.270 7.238 3.983 1.00 0.00 H new HETATM 0 HHA HEM A 218 7.025 8.335 4.272 1.00 0.00 H new HETATM 0 HHB HEM A 218 13.337 7.769 3.397 1.00 0.00 H new HETATM 0 HHC HEM A 218 12.332 3.595 -1.336 1.00 0.00 H new HETATM 0 HHD HEM A 218 5.981 4.226 -0.511 1.00 0.00 H new HETATM 0 HAB HEM A 218 14.940 4.258 -1.238 1.00 0.00 H new HETATM 0 HAC HEM A 218 6.424 3.770 -3.100 1.00 0.00 H new HETATM 1249 FE HEM A 238 4.510 -2.375 -6.897 1.00 0.00 FE HETATM 1250 CHA HEM A 238 4.827 -5.849 -6.638 1.00 0.00 C HETATM 1251 CHB HEM A 238 2.736 -2.520 -3.762 1.00 0.00 C HETATM 1252 CHC HEM A 238 4.165 1.041 -6.763 1.00 0.00 C HETATM 1253 CHD HEM A 238 6.192 -2.332 -9.719 1.00 0.00 C HETATM 1254 NA HEM A 238 3.902 -3.881 -5.472 1.00 0.00 N HETATM 1255 C1A HEM A 238 4.142 -5.239 -5.592 1.00 0.00 C HETATM 1256 C2A HEM A 238 3.576 -5.948 -4.469 1.00 0.00 C HETATM 1257 C3A HEM A 238 2.996 -5.028 -3.670 1.00 0.00 C HETATM 1258 C4A HEM A 238 3.196 -3.740 -4.290 1.00 0.00 C HETATM 1259 CMA HEM A 238 2.270 -5.254 -2.375 1.00 0.00 C HETATM 1260 CAA HEM A 238 3.645 -7.434 -4.269 1.00 0.00 C HETATM 1261 CBA HEM A 238 2.659 -7.967 -3.233 1.00 0.00 C HETATM 1262 CGA HEM A 238 2.722 -9.486 -3.147 1.00 0.00 C HETATM 1263 O1A HEM A 238 2.382 -10.126 -4.165 1.00 0.00 O HETATM 1264 O2A HEM A 238 3.109 -9.977 -2.065 1.00 0.00 O HETATM 1265 NB HEM A 238 3.544 -1.032 -5.557 1.00 0.00 N HETATM 1266 C1B HEM A 238 3.034 -1.268 -4.292 1.00 0.00 C HETATM 1267 C2B HEM A 238 2.849 -0.023 -3.585 1.00 0.00 C HETATM 1268 C3B HEM A 238 3.244 0.966 -4.415 1.00 0.00 C HETATM 1269 C4B HEM A 238 3.678 0.343 -5.643 1.00 0.00 C HETATM 1270 CMB HEM A 238 2.314 0.101 -2.188 1.00 0.00 C HETATM 1271 CAB HEM A 238 3.250 2.444 -4.153 1.00 0.00 C HETATM 1272 CBB HEM A 238 3.782 2.829 -2.776 1.00 0.00 C HETATM 1273 NC HEM A 238 5.041 -0.956 -8.010 1.00 0.00 N HETATM 1274 C1C HEM A 238 4.686 0.381 -7.962 1.00 0.00 C HETATM 1275 C2C HEM A 238 5.093 1.052 -9.174 1.00 0.00 C HETATM 1276 C3C HEM A 238 5.692 0.130 -9.956 1.00 0.00 C HETATM 1277 C4C HEM A 238 5.662 -1.121 -9.236 1.00 0.00 C HETATM 1278 CMC HEM A 238 4.869 2.507 -9.466 1.00 0.00 C HETATM 1279 CAC HEM A 238 6.290 0.322 -11.319 1.00 0.00 C HETATM 1280 CBC HEM A 238 7.154 1.573 -11.448 1.00 0.00 C HETATM 1281 ND HEM A 238 5.342 -3.795 -7.922 1.00 0.00 N HETATM 1282 C1D HEM A 238 5.983 -3.575 -9.129 1.00 0.00 C HETATM 1283 C2D HEM A 238 6.412 -4.828 -9.704 1.00 0.00 C HETATM 1284 C3D HEM A 238 6.035 -5.805 -8.852 1.00 0.00 C HETATM 1285 C4D HEM A 238 5.369 -5.166 -7.742 1.00 0.00 C HETATM 1286 CMD HEM A 238 7.140 -4.970 -11.009 1.00 0.00 C HETATM 1287 CAD HEM A 238 6.247 -7.285 -8.991 1.00 0.00 C HETATM 1288 CBD HEM A 238 4.973 -8.068 -9.297 1.00 0.00 C HETATM 1289 CGD HEM A 238 4.154 -7.379 -10.380 1.00 0.00 C HETATM 1290 O1D HEM A 238 2.910 -7.413 -10.257 1.00 0.00 O HETATM 1291 O2D HEM A 238 4.786 -6.833 -11.309 1.00 0.00 O HETATM 0 HMA1 HEM A 238 2.386 -4.379 -1.735 1.00 0.00 H new HETATM 0 HMA2 HEM A 238 2.685 -6.128 -1.873 1.00 0.00 H new HETATM 0 HMA3 HEM A 238 1.211 -5.419 -2.575 1.00 0.00 H new HETATM 0 HMB1 HEM A 238 1.624 -0.719 -1.988 1.00 0.00 H new HETATM 0 HMB2 HEM A 238 1.789 1.050 -2.082 1.00 0.00 H new HETATM 0 HMB3 HEM A 238 3.140 0.062 -1.477 1.00 0.00 H new HETATM 0 HMC1 HEM A 238 5.666 2.875 -10.112 1.00 0.00 H new HETATM 0 HMC2 HEM A 238 4.869 3.070 -8.532 1.00 0.00 H new HETATM 0 HMC3 HEM A 238 3.909 2.634 -9.966 1.00 0.00 H new HETATM 0 HMD1 HEM A 238 7.787 -5.847 -10.971 1.00 0.00 H new HETATM 0 HMD2 HEM A 238 7.744 -4.081 -11.187 1.00 0.00 H new HETATM 0 HMD3 HEM A 238 6.418 -5.086 -11.818 1.00 0.00 H new HETATM 0 HBB1 HEM A 238 3.829 3.878 -2.484 1.00 0.00 H new HETATM 0 HBB2 HEM A 238 4.115 2.055 -2.084 1.00 0.00 H new HETATM 0 HBC1 HEM A 238 7.636 1.807 -12.397 1.00 0.00 H new HETATM 0 HBC2 HEM A 238 7.289 2.233 -10.591 1.00 0.00 H new HETATM 0 HBA1 HEM A 238 1.648 -7.656 -3.495 1.00 0.00 H new HETATM 0 HBA2 HEM A 238 2.883 -7.535 -2.258 1.00 0.00 H new HETATM 0 HAA1 HEM A 238 4.657 -7.703 -3.965 1.00 0.00 H new HETATM 0 HAA2 HEM A 238 3.457 -7.928 -5.222 1.00 0.00 H new HETATM 0 HBD1 HEM A 238 4.375 -8.165 -8.391 1.00 0.00 H new HETATM 0 HBD2 HEM A 238 5.231 -9.077 -9.618 1.00 0.00 H new HETATM 0 HAD1 HEM A 238 6.684 -7.667 -8.068 1.00 0.00 H new HETATM 0 HAD2 HEM A 238 6.972 -7.465 -9.785 1.00 0.00 H new HETATM 0 HHA HEM A 238 4.951 -6.921 -6.600 1.00 0.00 H new HETATM 0 HHB HEM A 238 2.108 -2.557 -2.884 1.00 0.00 H new HETATM 0 HHC HEM A 238 4.154 2.121 -6.737 1.00 0.00 H new HETATM 0 HHD HEM A 238 6.803 -2.294 -10.609 1.00 0.00 H new HETATM 0 HAB HEM A 238 2.905 3.177 -4.882 1.00 0.00 H new HETATM 0 HAC HEM A 238 6.122 -0.371 -12.144 1.00 0.00 H new HETATM 1292 FE HEM A 261 -3.465 -4.653 -1.659 1.00 0.00 FE HETATM 1293 CHA HEM A 261 -3.084 -8.056 -1.764 1.00 0.00 C HETATM 1294 CHB HEM A 261 -1.903 -4.215 -4.517 1.00 0.00 C HETATM 1295 CHC HEM A 261 -4.288 -1.278 -1.450 1.00 0.00 C HETATM 1296 CHD HEM A 261 -5.060 -5.082 1.549 1.00 0.00 C HETATM 1297 NA HEM A 261 -2.691 -5.882 -2.862 1.00 0.00 N HETATM 1298 C1A HEM A 261 -2.571 -7.259 -2.782 1.00 0.00 C HETATM 1299 C2A HEM A 261 -1.832 -7.764 -3.915 1.00 0.00 C HETATM 1300 C3A HEM A 261 -1.504 -6.701 -4.680 1.00 0.00 C HETATM 1301 C4A HEM A 261 -2.036 -5.528 -4.028 1.00 0.00 C HETATM 1302 CMA HEM A 261 -0.734 -6.694 -5.969 1.00 0.00 C HETATM 1303 CAA HEM A 261 -1.513 -9.210 -4.156 1.00 0.00 C HETATM 1304 CBA HEM A 261 -0.723 -9.868 -3.028 1.00 0.00 C HETATM 1305 CGA HEM A 261 -0.965 -11.370 -2.993 1.00 0.00 C HETATM 1306 O1A HEM A 261 -1.683 -11.808 -2.068 1.00 0.00 O HETATM 1307 O2A HEM A 261 -0.428 -12.053 -3.892 1.00 0.00 O HETATM 1308 NB HEM A 261 -3.174 -3.081 -2.732 1.00 0.00 N HETATM 1309 C1B HEM A 261 -2.475 -3.093 -3.927 1.00 0.00 C HETATM 1310 C2B HEM A 261 -2.417 -1.763 -4.487 1.00 0.00 C HETATM 1311 C3B HEM A 261 -3.078 -0.946 -3.639 1.00 0.00 C HETATM 1312 C4B HEM A 261 -3.550 -1.762 -2.545 1.00 0.00 C HETATM 1313 CMB HEM A 261 -1.738 -1.403 -5.776 1.00 0.00 C HETATM 1314 CAB HEM A 261 -3.303 0.532 -3.767 1.00 0.00 C HETATM 1315 CBB HEM A 261 -3.945 0.950 -5.087 1.00 0.00 C HETATM 1316 NC HEM A 261 -4.577 -3.450 -0.250 1.00 0.00 N HETATM 1317 C1C HEM A 261 -4.758 -2.081 -0.353 1.00 0.00 C HETATM 1318 C2C HEM A 261 -5.348 -1.561 0.858 1.00 0.00 C HETATM 1319 C3C HEM A 261 -5.525 -2.607 1.694 1.00 0.00 C HETATM 1320 C4C HEM A 261 -5.047 -3.784 1.008 1.00 0.00 C HETATM 1321 CMC HEM A 261 -5.684 -0.118 1.099 1.00 0.00 C HETATM 1322 CAC HEM A 261 -6.104 -2.595 3.079 1.00 0.00 C HETATM 1323 CBC HEM A 261 -7.444 -1.873 3.185 1.00 0.00 C HETATM 1324 ND HEM A 261 -3.987 -6.232 -0.352 1.00 0.00 N HETATM 1325 C1D HEM A 261 -4.605 -6.218 0.886 1.00 0.00 C HETATM 1326 C2D HEM A 261 -4.714 -7.560 1.407 1.00 0.00 C HETATM 1327 C3D HEM A 261 -4.167 -8.387 0.491 1.00 0.00 C HETATM 1328 C4D HEM A 261 -3.714 -7.565 -0.606 1.00 0.00 C HETATM 1329 CMD HEM A 261 -5.330 -7.922 2.727 1.00 0.00 C HETATM 1330 CAD HEM A 261 -4.034 -9.881 0.557 1.00 0.00 C HETATM 1331 CBD HEM A 261 -5.293 -10.595 1.040 1.00 0.00 C HETATM 1332 CGD HEM A 261 -5.965 -11.350 -0.097 1.00 0.00 C HETATM 1333 O1D HEM A 261 -6.375 -10.672 -1.065 1.00 0.00 O HETATM 1334 O2D HEM A 261 -6.058 -12.591 0.021 1.00 0.00 O HETATM 0 HMA1 HEM A 261 -1.067 -5.860 -6.587 1.00 0.00 H new HETATM 0 HMA2 HEM A 261 -0.905 -7.630 -6.500 1.00 0.00 H new HETATM 0 HMA3 HEM A 261 0.330 -6.586 -5.757 1.00 0.00 H new HETATM 0 HMB1 HEM A 261 -2.248 -0.554 -6.231 1.00 0.00 H new HETATM 0 HMB2 HEM A 261 -1.773 -2.254 -6.456 1.00 0.00 H new HETATM 0 HMB3 HEM A 261 -0.699 -1.139 -5.579 1.00 0.00 H new HETATM 0 HMC1 HEM A 261 -4.992 0.514 0.543 1.00 0.00 H new HETATM 0 HMC2 HEM A 261 -5.601 0.102 2.163 1.00 0.00 H new HETATM 0 HMC3 HEM A 261 -6.703 0.079 0.766 1.00 0.00 H new HETATM 0 HMD1 HEM A 261 -5.195 -7.100 3.429 1.00 0.00 H new HETATM 0 HMD2 HEM A 261 -4.848 -8.817 3.120 1.00 0.00 H new HETATM 0 HMD3 HEM A 261 -6.395 -8.112 2.592 1.00 0.00 H new HETATM 0 HBB1 HEM A 261 -4.152 2.002 -5.283 1.00 0.00 H new HETATM 0 HBB2 HEM A 261 -4.196 0.197 -5.834 1.00 0.00 H new HETATM 0 HBC1 HEM A 261 -7.952 -1.806 4.147 1.00 0.00 H new HETATM 0 HBC2 HEM A 261 -7.893 -1.425 2.299 1.00 0.00 H new HETATM 0 HBA1 HEM A 261 -1.011 -9.428 -2.073 1.00 0.00 H new HETATM 0 HBA2 HEM A 261 0.341 -9.671 -3.162 1.00 0.00 H new HETATM 0 HAA1 HEM A 261 -0.945 -9.297 -5.082 1.00 0.00 H new HETATM 0 HAA2 HEM A 261 -2.444 -9.758 -4.301 1.00 0.00 H new HETATM 0 HBD1 HEM A 261 -5.989 -9.868 1.459 1.00 0.00 H new HETATM 0 HBD2 HEM A 261 -5.037 -11.289 1.840 1.00 0.00 H new HETATM 0 HAD1 HEM A 261 -3.208 -10.133 1.222 1.00 0.00 H new HETATM 0 HAD2 HEM A 261 -3.773 -10.256 -0.432 1.00 0.00 H new HETATM 0 HHA HEM A 261 -2.992 -9.127 -1.870 1.00 0.00 H new HETATM 0 HHB HEM A 261 -1.316 -4.069 -5.412 1.00 0.00 H new HETATM 0 HHC HEM A 261 -4.519 -0.223 -1.431 1.00 0.00 H new HETATM 0 HHD HEM A 261 -5.450 -5.206 2.548 1.00 0.00 H new HETATM 0 HAB HEM A 261 -3.032 1.244 -2.987 1.00 0.00 H new HETATM 0 HAC HEM A 261 -5.611 -3.060 3.933 1.00 0.00 H new HETATM 1335 FE HEM A 278 -11.478 -2.115 5.437 1.00 0.00 FE HETATM 1336 CHA HEM A 278 -14.504 -0.500 4.766 1.00 0.00 C HETATM 1337 CHB HEM A 278 -13.131 -5.152 4.322 1.00 0.00 C HETATM 1338 CHC HEM A 278 -8.739 -4.036 6.107 1.00 0.00 C HETATM 1339 CHD HEM A 278 -10.076 0.666 6.426 1.00 0.00 C HETATM 1340 NA HEM A 278 -13.432 -2.721 4.691 1.00 0.00 N HETATM 1341 C1A HEM A 278 -14.504 -1.866 4.503 1.00 0.00 C HETATM 1342 C2A HEM A 278 -15.641 -2.593 3.988 1.00 0.00 C HETATM 1343 C3A HEM A 278 -15.263 -3.883 3.864 1.00 0.00 C HETATM 1344 C4A HEM A 278 -13.889 -3.967 4.300 1.00 0.00 C HETATM 1345 CMA HEM A 278 -16.081 -5.041 3.371 1.00 0.00 C HETATM 1346 CAA HEM A 278 -16.975 -1.985 3.665 1.00 0.00 C HETATM 1347 CBA HEM A 278 -17.249 -1.846 2.171 1.00 0.00 C HETATM 1348 CGA HEM A 278 -18.743 -1.870 1.883 1.00 0.00 C HETATM 1349 O1A HEM A 278 -19.396 -2.827 2.351 1.00 0.00 O HETATM 1350 O2A HEM A 278 -19.204 -0.929 1.201 1.00 0.00 O HETATM 1351 NB HEM A 278 -11.044 -4.183 5.212 1.00 0.00 N HETATM 1352 C1B HEM A 278 -11.831 -5.247 4.809 1.00 0.00 C HETATM 1353 C2B HEM A 278 -11.112 -6.490 4.963 1.00 0.00 C HETATM 1354 C3B HEM A 278 -9.894 -6.184 5.457 1.00 0.00 C HETATM 1355 C4B HEM A 278 -9.847 -4.749 5.615 1.00 0.00 C HETATM 1356 CMB HEM A 278 -11.657 -7.846 4.623 1.00 0.00 C HETATM 1357 CAB HEM A 278 -8.771 -7.121 5.795 1.00 0.00 C HETATM 1358 CBB HEM A 278 -8.301 -7.975 4.621 1.00 0.00 C HETATM 1359 NC HEM A 278 -9.684 -1.740 5.980 1.00 0.00 N HETATM 1360 C1C HEM A 278 -8.679 -2.615 6.353 1.00 0.00 C HETATM 1361 C2C HEM A 278 -7.694 -1.932 7.158 1.00 0.00 C HETATM 1362 C3C HEM A 278 -8.097 -0.649 7.275 1.00 0.00 C HETATM 1363 C4C HEM A 278 -9.335 -0.525 6.544 1.00 0.00 C HETATM 1364 CMC HEM A 278 -6.465 -2.571 7.736 1.00 0.00 C HETATM 1365 CAC HEM A 278 -7.420 0.468 8.015 1.00 0.00 C HETATM 1366 CBC HEM A 278 -5.977 0.714 7.582 1.00 0.00 C HETATM 1367 ND HEM A 278 -12.147 -0.307 5.504 1.00 0.00 N HETATM 1368 C1D HEM A 278 -11.417 0.727 6.064 1.00 0.00 C HETATM 1369 C2D HEM A 278 -12.248 1.897 6.224 1.00 0.00 C HETATM 1370 C3D HEM A 278 -13.477 1.577 5.764 1.00 0.00 C HETATM 1371 C4D HEM A 278 -13.418 0.206 5.315 1.00 0.00 C HETATM 1372 CMD HEM A 278 -11.788 3.205 6.799 1.00 0.00 C HETATM 1373 CAD HEM A 278 -14.699 2.447 5.711 1.00 0.00 C HETATM 1374 CBD HEM A 278 -14.664 3.626 6.679 1.00 0.00 C HETATM 1375 CGD HEM A 278 -16.067 4.006 7.130 1.00 0.00 C HETATM 1376 O1D HEM A 278 -16.777 3.093 7.607 1.00 0.00 O HETATM 1377 O2D HEM A 278 -16.405 5.201 6.990 1.00 0.00 O HETATM 0 HMA1 HEM A 278 -17.131 -4.872 3.608 1.00 0.00 H new HETATM 0 HMA2 HEM A 278 -15.743 -5.957 3.855 1.00 0.00 H new HETATM 0 HMA3 HEM A 278 -15.963 -5.136 2.292 1.00 0.00 H new HETATM 0 HMB1 HEM A 278 -12.738 -7.849 4.762 1.00 0.00 H new HETATM 0 HMB2 HEM A 278 -11.206 -8.594 5.275 1.00 0.00 H new HETATM 0 HMB3 HEM A 278 -11.424 -8.082 3.585 1.00 0.00 H new HETATM 0 HMC1 HEM A 278 -6.662 -3.625 7.935 1.00 0.00 H new HETATM 0 HMC2 HEM A 278 -6.198 -2.070 8.667 1.00 0.00 H new HETATM 0 HMC3 HEM A 278 -5.642 -2.483 7.027 1.00 0.00 H new HETATM 0 HMD1 HEM A 278 -12.357 4.020 6.351 1.00 0.00 H new HETATM 0 HMD2 HEM A 278 -10.728 3.343 6.586 1.00 0.00 H new HETATM 0 HMD3 HEM A 278 -11.944 3.203 7.878 1.00 0.00 H new HETATM 0 HBB1 HEM A 278 -7.490 -8.690 4.757 1.00 0.00 H new HETATM 0 HBB2 HEM A 278 -8.777 -7.870 3.646 1.00 0.00 H new HETATM 0 HBC1 HEM A 278 -5.393 1.503 8.056 1.00 0.00 H new HETATM 0 HBC2 HEM A 278 -5.531 0.101 6.799 1.00 0.00 H new HETATM 0 HBA1 HEM A 278 -16.758 -2.656 1.631 1.00 0.00 H new HETATM 0 HBA2 HEM A 278 -16.820 -0.913 1.805 1.00 0.00 H new HETATM 0 HAA1 HEM A 278 -17.035 -1.000 4.128 1.00 0.00 H new HETATM 0 HAA2 HEM A 278 -17.759 -2.596 4.112 1.00 0.00 H new HETATM 0 HBD1 HEM A 278 -14.189 4.481 6.198 1.00 0.00 H new HETATM 0 HBD2 HEM A 278 -14.056 3.370 7.547 1.00 0.00 H new HETATM 0 HAD1 HEM A 278 -15.576 1.837 5.928 1.00 0.00 H new HETATM 0 HAD2 HEM A 278 -14.818 2.827 4.696 1.00 0.00 H new HETATM 0 HHA HEM A 278 -15.399 0.057 4.533 1.00 0.00 H new HETATM 0 HHB HEM A 278 -13.590 -6.050 3.934 1.00 0.00 H new HETATM 0 HHC HEM A 278 -7.847 -4.607 6.321 1.00 0.00 H new HETATM 0 HHD HEM A 278 -9.568 1.597 6.631 1.00 0.00 H new HETATM 0 HAB HEM A 278 -8.331 -7.186 6.790 1.00 0.00 H new HETATM 0 HAC HEM A 278 -7.914 1.051 8.792 1.00 0.00 H new