USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 0 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 14 HIS HE2 : A 14 HIS NE2 : A 80 HEMFE :(H bumps) USER MOD Set 1.1: A 44 TYR OH : rot 59:sc= 2.02 USER MOD Set 1.2: A 49 TYR OH : rot -158:sc= 1.47 USER MOD Set 1.3: A 54 LYS NZ :NH3+ 174:sc= 1.82 (180deg=0.578) USER MOD Set 2.1: A 41 MET CE :methyl -162:sc= -0.272 (180deg=-0.572) USER MOD Set 2.2: A 76 MET CE :methyl -121:sc= -0.611 (180deg=-2.8!) USER MOD Set 2.3: A 80 HEM CMA :methyl -30:sc= -2.96 (180deg=-7.18!) USER MOD Set 3.1: A 32 GLN : amide:sc= -0.0118 K(o=1.8,f=-6.9!) USER MOD Set 3.2: A 40 LYS NZ :NH3+ -166:sc= 1.81 (180deg=1.09) USER MOD Single : A 1 ALA N :NH3+ -170:sc= 2.05 (180deg=1.56) USER MOD Single : A 7 TYR OH : rot 60:sc= -0.614 USER MOD Single : A 8 LYS NZ :NH3+ 167:sc= 0.785 (180deg=0.61) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0183 USER MOD Single : A 19 SER OG : rot -146:sc= 1.37 USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= 0.597 (180deg=0.321) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -125:sc= 0.462 (180deg=0.33) USER MOD Single : A 30 LYS NZ :NH3+ 157:sc= 0.618 (180deg=0.416) USER MOD Single : A 38 TYR OH : rot -23:sc= 1.23 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -165:sc= 0.349 (180deg=0.246) USER MOD Single : A 48 SER OG : rot -32:sc= 0.514 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 165:sc= -4.54! (180deg=-6.07!) USER MOD Single : A 58 THR OG1 : rot 79:sc= 1.16 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -140:sc= 0.238 (180deg=-0.861) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot -75:sc= 1.25 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0337 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0.573 (180deg=0.573) USER MOD Single : A 75 TYR OH : rot -23:sc= 1.29 USER MOD Single : A 77 SER OG : rot -34:sc= 0.33 USER MOD Single : A 78 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0548) USER MOD Single : A 80 HEM CMB :methyl 150:sc= -0.72 (180deg=-0.72) USER MOD Single : A 80 HEM CMC :methyl 150:sc= -0.815 (180deg=-0.815) USER MOD Single : A 80 HEM CMD :methyl 150:sc= -0.0799 (180deg=-0.0799) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.833 -13.888 -3.471 1.00 0.00 N ATOM 2 CA ALA A 1 -1.579 -14.305 -4.122 1.00 0.00 C ATOM 3 C ALA A 1 -0.399 -13.571 -3.486 1.00 0.00 C ATOM 4 O ALA A 1 -0.625 -12.699 -2.654 1.00 0.00 O ATOM 5 CB ALA A 1 -1.644 -14.040 -5.630 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.609 -14.506 -3.784 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.729 -13.959 -2.439 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.048 -12.904 -3.730 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.440 -15.376 -3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.710 -14.354 -6.095 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.472 -14.602 -6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.797 -12.975 -5.806 1.00 0.00 H new ATOM 6 N ASP A 2 0.829 -13.937 -3.858 1.00 0.00 N ATOM 7 CA ASP A 2 2.080 -13.385 -3.348 1.00 0.00 C ATOM 8 C ASP A 2 2.079 -11.856 -3.324 1.00 0.00 C ATOM 9 O ASP A 2 2.020 -11.222 -4.376 1.00 0.00 O ATOM 10 CB ASP A 2 3.240 -13.882 -4.224 1.00 0.00 C ATOM 11 CG ASP A 2 3.290 -15.404 -4.304 1.00 0.00 C ATOM 12 OD1 ASP A 2 2.337 -15.961 -4.895 1.00 0.00 O ATOM 13 OD2 ASP A 2 4.257 -15.976 -3.759 1.00 0.00 O ATOM 0 H ASP A 2 0.983 -14.663 -4.558 1.00 0.00 H new ATOM 0 HA ASP A 2 2.197 -13.724 -2.319 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.137 -13.470 -5.228 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.182 -13.510 -3.822 1.00 0.00 H new ATOM 14 N GLY A 3 2.197 -11.263 -2.132 1.00 0.00 N ATOM 15 CA GLY A 3 2.230 -9.818 -1.950 1.00 0.00 C ATOM 16 C GLY A 3 3.235 -9.162 -2.894 1.00 0.00 C ATOM 17 O GLY A 3 2.903 -8.228 -3.620 1.00 0.00 O ATOM 0 H GLY A 3 2.273 -11.784 -1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.237 -9.404 -2.128 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.492 -9.585 -0.918 1.00 0.00 H new ATOM 18 N ALA A 4 4.456 -9.696 -2.936 1.00 0.00 N ATOM 19 CA ALA A 4 5.520 -9.190 -3.792 1.00 0.00 C ATOM 20 C ALA A 4 5.102 -9.084 -5.264 1.00 0.00 C ATOM 21 O ALA A 4 5.665 -8.268 -5.989 1.00 0.00 O ATOM 22 CB ALA A 4 6.743 -10.100 -3.651 1.00 0.00 C ATOM 0 H ALA A 4 4.733 -10.499 -2.371 1.00 0.00 H new ATOM 0 HA ALA A 4 5.757 -8.177 -3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.547 -9.731 -4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.076 -10.104 -2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.479 -11.114 -3.952 1.00 0.00 H new ATOM 23 N ALA A 5 4.127 -9.881 -5.719 1.00 0.00 N ATOM 24 CA ALA A 5 3.680 -9.848 -7.101 1.00 0.00 C ATOM 25 C ALA A 5 2.549 -8.842 -7.278 1.00 0.00 C ATOM 26 O ALA A 5 2.329 -8.366 -8.389 1.00 0.00 O ATOM 27 CB ALA A 5 3.234 -11.248 -7.531 1.00 0.00 C ATOM 0 H ALA A 5 3.634 -10.559 -5.138 1.00 0.00 H new ATOM 0 HA ALA A 5 4.509 -9.532 -7.734 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.899 -11.221 -8.568 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.070 -11.941 -7.438 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.415 -11.581 -6.894 1.00 0.00 H new ATOM 28 N LEU A 6 1.835 -8.496 -6.206 1.00 0.00 N ATOM 29 CA LEU A 6 0.754 -7.554 -6.273 1.00 0.00 C ATOM 30 C LEU A 6 1.345 -6.151 -6.139 1.00 0.00 C ATOM 31 O LEU A 6 0.856 -5.227 -6.787 1.00 0.00 O ATOM 32 CB LEU A 6 -0.227 -7.909 -5.154 1.00 0.00 C ATOM 33 CG LEU A 6 -0.825 -9.322 -5.271 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.562 -9.653 -3.971 1.00 0.00 C ATOM 35 CD2 LEU A 6 -1.780 -9.456 -6.460 1.00 0.00 C ATOM 0 H LEU A 6 2.003 -8.871 -5.272 1.00 0.00 H new ATOM 0 HA LEU A 6 0.210 -7.586 -7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.284 -7.820 -4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.038 -7.181 -5.152 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.008 -10.023 -5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.991 -10.653 -4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.862 -9.616 -3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.359 -8.927 -3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.174 -10.472 -6.497 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.604 -8.751 -6.346 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.243 -9.241 -7.384 1.00 0.00 H new ATOM 36 N TYR A 7 2.409 -5.991 -5.334 1.00 0.00 N ATOM 37 CA TYR A 7 3.014 -4.683 -5.107 1.00 0.00 C ATOM 38 C TYR A 7 3.892 -4.142 -6.246 1.00 0.00 C ATOM 39 O TYR A 7 4.294 -2.978 -6.202 1.00 0.00 O ATOM 40 CB TYR A 7 3.812 -4.732 -3.790 1.00 0.00 C ATOM 41 CG TYR A 7 3.779 -3.427 -3.019 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.542 -2.807 -2.781 1.00 0.00 C ATOM 43 CD2 TYR A 7 4.949 -2.834 -2.507 1.00 0.00 C ATOM 44 CE1 TYR A 7 2.489 -1.531 -2.226 1.00 0.00 C ATOM 45 CE2 TYR A 7 4.885 -1.558 -1.918 1.00 0.00 C ATOM 46 CZ TYR A 7 3.672 -0.848 -1.919 1.00 0.00 C ATOM 47 OH TYR A 7 3.629 0.451 -1.513 1.00 0.00 O ATOM 0 H TYR A 7 2.862 -6.755 -4.833 1.00 0.00 H new ATOM 0 HA TYR A 7 2.186 -3.976 -5.055 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.413 -5.528 -3.161 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.848 -4.989 -4.010 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.626 -3.323 -3.030 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.892 -3.357 -2.566 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.533 -1.067 -2.032 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.765 -1.125 -1.466 1.00 0.00 H new ATOM 0 HH TYR A 7 3.099 0.520 -0.692 1.00 0.00 H new ATOM 48 N LYS A 8 4.189 -4.935 -7.279 1.00 0.00 N ATOM 49 CA LYS A 8 5.049 -4.480 -8.372 1.00 0.00 C ATOM 50 C LYS A 8 4.579 -3.144 -8.969 1.00 0.00 C ATOM 51 O LYS A 8 5.373 -2.223 -9.144 1.00 0.00 O ATOM 52 CB LYS A 8 5.135 -5.568 -9.447 1.00 0.00 C ATOM 53 CG LYS A 8 5.540 -6.900 -8.805 1.00 0.00 C ATOM 54 CD LYS A 8 6.136 -7.901 -9.794 1.00 0.00 C ATOM 55 CE LYS A 8 5.250 -8.181 -11.016 1.00 0.00 C ATOM 56 NZ LYS A 8 3.985 -8.837 -10.645 1.00 0.00 N ATOM 0 H LYS A 8 3.848 -5.891 -7.380 1.00 0.00 H new ATOM 0 HA LYS A 8 6.044 -4.300 -7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.173 -5.673 -9.949 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.862 -5.284 -10.208 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.266 -6.707 -8.015 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.665 -7.346 -8.332 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.100 -7.526 -10.137 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.326 -8.840 -9.274 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.035 -7.244 -11.529 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.793 -8.813 -11.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.330 -8.809 -11.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.171 -9.826 -10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.560 -8.339 -9.837 1.00 0.00 H new ATOM 57 N SER A 9 3.278 -3.009 -9.230 1.00 0.00 N ATOM 58 CA SER A 9 2.695 -1.803 -9.808 1.00 0.00 C ATOM 59 C SER A 9 2.723 -0.588 -8.866 1.00 0.00 C ATOM 60 O SER A 9 2.360 0.510 -9.278 1.00 0.00 O ATOM 61 CB SER A 9 1.248 -2.126 -10.197 1.00 0.00 C ATOM 62 OG SER A 9 1.191 -3.421 -10.773 1.00 0.00 O ATOM 0 H SER A 9 2.595 -3.743 -9.043 1.00 0.00 H new ATOM 0 HA SER A 9 3.297 -1.520 -10.672 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.605 -2.079 -9.318 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.876 -1.385 -10.905 1.00 0.00 H new ATOM 0 HG SER A 9 0.266 -3.629 -11.020 1.00 0.00 H new ATOM 63 N CYS A 10 3.129 -0.774 -7.608 1.00 0.00 N ATOM 64 CA CYS A 10 3.174 0.226 -6.553 1.00 0.00 C ATOM 65 C CYS A 10 4.596 0.734 -6.380 1.00 0.00 C ATOM 66 O CYS A 10 4.824 1.928 -6.158 1.00 0.00 O ATOM 67 CB CYS A 10 2.653 -0.444 -5.281 1.00 0.00 C ATOM 68 SG CYS A 10 1.142 -1.439 -5.527 1.00 0.00 S ATOM 0 H CYS A 10 3.454 -1.685 -7.285 1.00 0.00 H new ATOM 0 HA CYS A 10 2.557 1.092 -6.794 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.435 -1.085 -4.875 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.451 0.325 -4.535 1.00 0.00 H new ATOM 69 N ILE A 11 5.550 -0.193 -6.524 1.00 0.00 N ATOM 70 CA ILE A 11 6.983 0.061 -6.466 1.00 0.00 C ATOM 71 C ILE A 11 7.330 1.280 -7.339 1.00 0.00 C ATOM 72 O ILE A 11 8.266 2.011 -7.027 1.00 0.00 O ATOM 73 CB ILE A 11 7.722 -1.246 -6.858 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.444 -1.863 -5.650 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.760 -1.046 -7.971 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.517 -2.242 -4.490 1.00 0.00 C ATOM 0 H ILE A 11 5.331 -1.175 -6.690 1.00 0.00 H new ATOM 0 HA ILE A 11 7.313 0.324 -5.461 1.00 0.00 H new ATOM 0 HB ILE A 11 6.941 -1.912 -7.224 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.980 -2.754 -5.978 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.191 -1.157 -5.288 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.240 -1.998 -8.197 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.266 -0.668 -8.866 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.513 -0.330 -7.642 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.106 -2.670 -3.679 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.999 -1.352 -4.132 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.786 -2.974 -4.833 1.00 0.00 H new ATOM 77 N GLY A 12 6.570 1.522 -8.413 1.00 0.00 N ATOM 78 CA GLY A 12 6.752 2.663 -9.296 1.00 0.00 C ATOM 79 C GLY A 12 6.856 3.994 -8.536 1.00 0.00 C ATOM 80 O GLY A 12 7.746 4.786 -8.833 1.00 0.00 O ATOM 0 H GLY A 12 5.799 0.915 -8.692 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.655 2.517 -9.889 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.917 2.713 -9.994 1.00 0.00 H new ATOM 81 N CYS A 13 5.958 4.258 -7.574 1.00 0.00 N ATOM 82 CA CYS A 13 6.005 5.507 -6.803 1.00 0.00 C ATOM 83 C CYS A 13 6.846 5.317 -5.546 1.00 0.00 C ATOM 84 O CYS A 13 7.657 6.170 -5.203 1.00 0.00 O ATOM 85 CB CYS A 13 4.616 5.993 -6.349 1.00 0.00 C ATOM 86 SG CYS A 13 3.650 7.011 -7.497 1.00 0.00 S ATOM 0 H CYS A 13 5.198 3.629 -7.314 1.00 0.00 H new ATOM 0 HA CYS A 13 6.436 6.251 -7.473 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.020 5.115 -6.100 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.746 6.561 -5.428 1.00 0.00 H new ATOM 87 N HIS A 14 6.622 4.212 -4.836 1.00 0.00 N ATOM 88 CA HIS A 14 7.227 3.875 -3.584 1.00 0.00 C ATOM 89 C HIS A 14 8.716 3.516 -3.641 1.00 0.00 C ATOM 90 O HIS A 14 9.386 3.544 -2.610 1.00 0.00 O ATOM 91 CB HIS A 14 6.343 2.724 -3.119 1.00 0.00 C ATOM 92 CG HIS A 14 5.029 3.195 -2.561 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.954 3.901 -1.372 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.739 3.119 -3.026 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.664 4.203 -1.170 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.870 3.740 -2.137 1.00 0.00 N ATOM 0 H HIS A 14 5.970 3.495 -5.155 1.00 0.00 H new ATOM 0 HA HIS A 14 7.262 4.724 -2.901 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.158 2.051 -3.956 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.871 2.149 -2.359 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.735 4.146 -0.763 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.443 2.645 -3.950 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.306 4.761 -0.317 1.00 0.00 H new ATOM 97 N GLY A 15 9.263 3.205 -4.813 1.00 0.00 N ATOM 98 CA GLY A 15 10.658 2.815 -4.941 1.00 0.00 C ATOM 99 C GLY A 15 10.791 1.316 -4.677 1.00 0.00 C ATOM 100 O GLY A 15 9.965 0.733 -3.977 1.00 0.00 O ATOM 0 H GLY A 15 8.752 3.217 -5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.024 3.054 -5.940 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.270 3.376 -4.235 1.00 0.00 H new ATOM 101 N ALA A 16 11.841 0.706 -5.240 1.00 0.00 N ATOM 102 CA ALA A 16 12.156 -0.719 -5.158 1.00 0.00 C ATOM 103 C ALA A 16 11.781 -1.343 -3.810 1.00 0.00 C ATOM 104 O ALA A 16 10.983 -2.275 -3.761 1.00 0.00 O ATOM 105 CB ALA A 16 13.650 -0.912 -5.440 1.00 0.00 C ATOM 0 H ALA A 16 12.526 1.222 -5.792 1.00 0.00 H new ATOM 0 HA ALA A 16 11.554 -1.235 -5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.897 -1.972 -5.382 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.883 -0.539 -6.437 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.234 -0.362 -4.702 1.00 0.00 H new ATOM 106 N ASP A 17 12.359 -0.835 -2.720 1.00 0.00 N ATOM 107 CA ASP A 17 12.152 -1.284 -1.370 1.00 0.00 C ATOM 108 C ASP A 17 11.222 -0.344 -0.603 1.00 0.00 C ATOM 109 O ASP A 17 11.460 -0.083 0.568 1.00 0.00 O ATOM 110 CB ASP A 17 13.517 -1.435 -0.681 1.00 0.00 C ATOM 111 CG ASP A 17 14.255 -0.110 -0.509 1.00 0.00 C ATOM 112 OD1 ASP A 17 14.362 0.615 -1.525 1.00 0.00 O ATOM 113 OD2 ASP A 17 14.699 0.165 0.626 1.00 0.00 O ATOM 0 H ASP A 17 13.017 -0.058 -2.774 1.00 0.00 H new ATOM 0 HA ASP A 17 11.656 -2.254 -1.383 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.374 -1.893 0.298 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.137 -2.116 -1.264 1.00 0.00 H new ATOM 114 N GLY A 18 10.184 0.188 -1.256 1.00 0.00 N ATOM 115 CA GLY A 18 9.184 1.071 -0.659 1.00 0.00 C ATOM 116 C GLY A 18 9.753 2.215 0.186 1.00 0.00 C ATOM 117 O GLY A 18 9.111 2.669 1.138 1.00 0.00 O ATOM 0 H GLY A 18 10.014 0.009 -2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.575 1.496 -1.456 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.520 0.473 -0.034 1.00 0.00 H new ATOM 118 N SER A 19 10.949 2.679 -0.175 1.00 0.00 N ATOM 119 CA SER A 19 11.725 3.695 0.505 1.00 0.00 C ATOM 120 C SER A 19 11.435 5.115 0.022 1.00 0.00 C ATOM 121 O SER A 19 11.591 6.064 0.788 1.00 0.00 O ATOM 122 CB SER A 19 13.188 3.341 0.233 1.00 0.00 C ATOM 123 OG SER A 19 13.325 3.038 -1.147 1.00 0.00 O ATOM 0 H SER A 19 11.425 2.327 -1.005 1.00 0.00 H new ATOM 0 HA SER A 19 11.471 3.699 1.565 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.837 4.174 0.505 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.492 2.489 0.841 1.00 0.00 H new ATOM 0 HG SER A 19 14.002 2.339 -1.263 1.00 0.00 H new ATOM 124 N LYS A 20 11.052 5.282 -1.244 1.00 0.00 N ATOM 125 CA LYS A 20 10.800 6.594 -1.803 1.00 0.00 C ATOM 126 C LYS A 20 9.479 7.124 -1.254 1.00 0.00 C ATOM 127 O LYS A 20 8.465 6.424 -1.251 1.00 0.00 O ATOM 128 CB LYS A 20 10.797 6.519 -3.338 1.00 0.00 C ATOM 129 CG LYS A 20 11.245 7.840 -3.990 1.00 0.00 C ATOM 130 CD LYS A 20 10.315 8.269 -5.134 1.00 0.00 C ATOM 131 CE LYS A 20 9.004 8.864 -4.607 1.00 0.00 C ATOM 132 NZ LYS A 20 9.204 10.185 -3.983 1.00 0.00 N ATOM 0 H LYS A 20 10.911 4.513 -1.900 1.00 0.00 H new ATOM 0 HA LYS A 20 11.591 7.286 -1.515 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.458 5.715 -3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.795 6.267 -3.685 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.273 8.625 -3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.260 7.728 -4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.822 9.004 -5.759 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.096 7.409 -5.767 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.293 8.956 -5.428 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.564 8.183 -3.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.394 10.405 -3.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.075 10.172 -3.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.285 10.910 -4.724 1.00 0.00 H new ATOM 133 N ALA A 21 9.491 8.373 -0.785 1.00 0.00 N ATOM 134 CA ALA A 21 8.314 9.020 -0.232 1.00 0.00 C ATOM 135 C ALA A 21 7.339 9.339 -1.366 1.00 0.00 C ATOM 136 O ALA A 21 7.297 10.457 -1.875 1.00 0.00 O ATOM 137 CB ALA A 21 8.737 10.265 0.554 1.00 0.00 C ATOM 0 H ALA A 21 10.324 8.961 -0.781 1.00 0.00 H new ATOM 0 HA ALA A 21 7.800 8.360 0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.854 10.751 0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.406 9.974 1.364 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.253 10.957 -0.111 1.00 0.00 H new ATOM 138 N ALA A 22 6.583 8.319 -1.772 1.00 0.00 N ATOM 139 CA ALA A 22 5.627 8.334 -2.864 1.00 0.00 C ATOM 140 C ALA A 22 4.825 9.623 -3.009 1.00 0.00 C ATOM 141 O ALA A 22 4.275 10.107 -2.027 1.00 0.00 O ATOM 142 CB ALA A 22 4.690 7.136 -2.730 1.00 0.00 C ATOM 0 H ALA A 22 6.629 7.408 -1.315 1.00 0.00 H new ATOM 0 HA ALA A 22 6.217 8.272 -3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.970 7.144 -3.549 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.271 6.214 -2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.159 7.194 -1.780 1.00 0.00 H new ATOM 143 N MET A 23 4.752 10.108 -4.261 1.00 0.00 N ATOM 144 CA MET A 23 4.071 11.297 -4.768 1.00 0.00 C ATOM 145 C MET A 23 3.807 12.341 -3.689 1.00 0.00 C ATOM 146 O MET A 23 4.581 13.284 -3.545 1.00 0.00 O ATOM 147 CB MET A 23 2.794 10.852 -5.497 1.00 0.00 C ATOM 148 CG MET A 23 1.924 11.999 -6.031 1.00 0.00 C ATOM 149 SD MET A 23 2.770 13.274 -7.003 1.00 0.00 S ATOM 150 CE MET A 23 3.296 12.301 -8.431 1.00 0.00 C ATOM 0 H MET A 23 5.223 9.617 -5.020 1.00 0.00 H new ATOM 0 HA MET A 23 4.726 11.807 -5.474 1.00 0.00 H new ATOM 0 HB2 MET A 23 3.074 10.209 -6.331 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.195 10.248 -4.815 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.134 11.569 -6.647 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.439 12.483 -5.183 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.834 12.942 -9.129 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.950 11.494 -8.101 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.421 11.879 -8.926 1.00 0.00 H new ATOM 151 N GLY A 24 2.734 12.175 -2.915 1.00 0.00 N ATOM 152 CA GLY A 24 2.378 13.083 -1.841 1.00 0.00 C ATOM 153 C GLY A 24 3.261 12.890 -0.606 1.00 0.00 C ATOM 154 O GLY A 24 2.743 12.823 0.508 1.00 0.00 O ATOM 0 H GLY A 24 2.085 11.396 -3.023 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.467 14.111 -2.192 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.334 12.928 -1.567 1.00 0.00 H new ATOM 155 N SER A 25 4.579 12.796 -0.815 1.00 0.00 N ATOM 156 CA SER A 25 5.610 12.638 0.192 1.00 0.00 C ATOM 157 C SER A 25 5.239 11.547 1.191 1.00 0.00 C ATOM 158 O SER A 25 5.272 11.795 2.395 1.00 0.00 O ATOM 159 CB SER A 25 5.831 13.986 0.889 1.00 0.00 C ATOM 160 OG SER A 25 6.037 15.006 -0.072 1.00 0.00 O ATOM 0 H SER A 25 4.969 12.832 -1.757 1.00 0.00 H new ATOM 0 HA SER A 25 6.539 12.325 -0.284 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.968 14.229 1.509 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.693 13.923 1.554 1.00 0.00 H new ATOM 0 HG SER A 25 6.175 15.862 0.384 1.00 0.00 H new ATOM 161 N ALA A 26 4.915 10.339 0.717 1.00 0.00 N ATOM 162 CA ALA A 26 4.515 9.299 1.637 1.00 0.00 C ATOM 163 C ALA A 26 5.551 8.964 2.696 1.00 0.00 C ATOM 164 O ALA A 26 6.737 8.881 2.402 1.00 0.00 O ATOM 165 CB ALA A 26 4.238 8.025 0.838 1.00 0.00 C ATOM 0 H ALA A 26 4.924 10.074 -0.268 1.00 0.00 H new ATOM 0 HA ALA A 26 3.636 9.677 2.159 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.934 7.228 1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.440 8.213 0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.141 7.725 0.307 1.00 0.00 H new ATOM 166 N LYS A 27 5.103 8.757 3.934 1.00 0.00 N ATOM 167 CA LYS A 27 5.983 8.272 4.981 1.00 0.00 C ATOM 168 C LYS A 27 6.390 6.882 4.453 1.00 0.00 C ATOM 169 O LYS A 27 5.497 6.051 4.281 1.00 0.00 O ATOM 170 CB LYS A 27 5.248 8.240 6.334 1.00 0.00 C ATOM 171 CG LYS A 27 3.783 7.776 6.270 1.00 0.00 C ATOM 172 CD LYS A 27 3.185 7.561 7.665 1.00 0.00 C ATOM 173 CE LYS A 27 1.839 6.835 7.552 1.00 0.00 C ATOM 174 NZ LYS A 27 0.861 7.570 6.725 1.00 0.00 N ATOM 0 H LYS A 27 4.140 8.918 4.229 1.00 0.00 H new ATOM 0 HA LYS A 27 6.854 8.897 5.178 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.792 7.581 7.010 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.278 9.239 6.770 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.191 8.517 5.733 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.722 6.847 5.703 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.872 6.978 8.278 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.049 8.521 8.163 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.000 5.846 7.124 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.426 6.687 8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.011 7.722 7.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.261 8.489 6.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.643 7.017 5.872 1.00 0.00 H new ATOM 175 N PRO A 28 7.671 6.641 4.110 1.00 0.00 N ATOM 176 CA PRO A 28 8.148 5.399 3.511 1.00 0.00 C ATOM 177 C PRO A 28 7.384 4.157 3.962 1.00 0.00 C ATOM 178 O PRO A 28 7.362 3.858 5.155 1.00 0.00 O ATOM 179 CB PRO A 28 9.630 5.324 3.877 1.00 0.00 C ATOM 180 CG PRO A 28 10.036 6.796 3.830 1.00 0.00 C ATOM 181 CD PRO A 28 8.807 7.509 4.397 1.00 0.00 C ATOM 0 HA PRO A 28 7.986 5.412 2.433 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.786 4.888 4.864 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.197 4.720 3.168 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.926 6.989 4.428 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.258 7.121 2.814 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.911 7.673 5.469 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.676 8.488 3.936 1.00 0.00 H new ATOM 182 N VAL A 29 6.746 3.432 3.028 1.00 0.00 N ATOM 183 CA VAL A 29 6.024 2.231 3.428 1.00 0.00 C ATOM 184 C VAL A 29 7.049 1.193 3.934 1.00 0.00 C ATOM 185 O VAL A 29 6.670 0.245 4.619 1.00 0.00 O ATOM 186 CB VAL A 29 5.060 1.692 2.352 1.00 0.00 C ATOM 187 CG1 VAL A 29 3.943 2.694 2.044 1.00 0.00 C ATOM 188 CG2 VAL A 29 5.680 1.264 1.031 1.00 0.00 C ATOM 0 H VAL A 29 6.719 3.650 2.032 1.00 0.00 H new ATOM 0 HA VAL A 29 5.347 2.482 4.245 1.00 0.00 H new ATOM 0 HB VAL A 29 4.678 0.784 2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.283 2.280 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.371 2.891 2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.379 3.624 1.680 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.898 0.905 0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.187 2.114 0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.400 0.465 1.209 1.00 0.00 H new ATOM 189 N LYS A 30 8.341 1.358 3.595 1.00 0.00 N ATOM 190 CA LYS A 30 9.473 0.545 4.034 1.00 0.00 C ATOM 191 C LYS A 30 9.552 0.448 5.555 1.00 0.00 C ATOM 192 O LYS A 30 10.264 1.190 6.229 1.00 0.00 O ATOM 193 CB LYS A 30 10.763 1.182 3.530 1.00 0.00 C ATOM 194 CG LYS A 30 12.093 0.501 3.912 1.00 0.00 C ATOM 195 CD LYS A 30 12.065 -1.014 3.695 1.00 0.00 C ATOM 196 CE LYS A 30 13.454 -1.643 3.829 1.00 0.00 C ATOM 197 NZ LYS A 30 13.379 -3.117 3.796 1.00 0.00 N ATOM 0 H LYS A 30 8.632 2.109 2.970 1.00 0.00 H new ATOM 0 HA LYS A 30 9.337 -0.459 3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.711 1.231 2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.795 2.209 3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.901 0.934 3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.316 0.710 4.958 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.390 -1.471 4.419 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.664 -1.230 2.705 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.095 -1.291 3.021 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.913 -1.321 4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.297 -3.505 3.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.142 -3.474 4.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.645 -3.412 3.121 1.00 0.00 H new ATOM 198 N GLY A 31 8.809 -0.508 6.076 1.00 0.00 N ATOM 199 CA GLY A 31 8.771 -0.830 7.491 1.00 0.00 C ATOM 200 C GLY A 31 7.440 -0.513 8.149 1.00 0.00 C ATOM 201 O GLY A 31 7.328 -0.667 9.364 1.00 0.00 O ATOM 0 H GLY A 31 8.198 -1.099 5.512 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.988 -1.890 7.620 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.560 -0.279 8.002 1.00 0.00 H new ATOM 202 N GLN A 32 6.436 -0.044 7.397 1.00 0.00 N ATOM 203 CA GLN A 32 5.141 0.184 7.999 1.00 0.00 C ATOM 204 C GLN A 32 4.645 -1.212 8.447 1.00 0.00 C ATOM 205 O GLN A 32 4.972 -2.213 7.811 1.00 0.00 O ATOM 206 CB GLN A 32 4.194 0.912 7.032 1.00 0.00 C ATOM 207 CG GLN A 32 4.436 2.433 6.818 1.00 0.00 C ATOM 208 CD GLN A 32 3.413 3.031 5.827 1.00 0.00 C ATOM 209 OE1 GLN A 32 2.371 2.417 5.633 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.650 4.173 5.157 1.00 0.00 N ATOM 0 H GLN A 32 6.502 0.175 6.403 1.00 0.00 H new ATOM 0 HA GLN A 32 5.188 0.851 8.860 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.256 0.419 6.062 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.174 0.779 7.392 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.366 2.952 7.774 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.446 2.593 6.442 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.517 4.687 5.316 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.963 4.525 4.490 1.00 0.00 H new ATOM 211 N GLY A 33 3.892 -1.318 9.543 1.00 0.00 N ATOM 212 CA GLY A 33 3.487 -2.628 10.068 1.00 0.00 C ATOM 213 C GLY A 33 2.363 -3.297 9.277 1.00 0.00 C ATOM 214 O GLY A 33 1.428 -2.610 8.896 1.00 0.00 O ATOM 0 H GLY A 33 3.552 -0.522 10.082 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.354 -3.288 10.076 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.167 -2.510 11.103 1.00 0.00 H new ATOM 215 N ALA A 34 2.392 -4.622 9.068 1.00 0.00 N ATOM 216 CA ALA A 34 1.377 -5.379 8.332 1.00 0.00 C ATOM 217 C ALA A 34 -0.041 -5.001 8.744 1.00 0.00 C ATOM 218 O ALA A 34 -0.898 -4.766 7.899 1.00 0.00 O ATOM 219 CB ALA A 34 1.563 -6.884 8.573 1.00 0.00 C ATOM 0 H ALA A 34 3.147 -5.211 9.419 1.00 0.00 H new ATOM 0 HA ALA A 34 1.509 -5.135 7.278 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.803 -7.437 8.021 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.553 -7.188 8.232 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.465 -7.097 9.638 1.00 0.00 H new ATOM 220 N GLU A 35 -0.291 -4.962 10.053 1.00 0.00 N ATOM 221 CA GLU A 35 -1.607 -4.616 10.580 1.00 0.00 C ATOM 222 C GLU A 35 -1.992 -3.210 10.111 1.00 0.00 C ATOM 223 O GLU A 35 -3.117 -2.978 9.676 1.00 0.00 O ATOM 224 CB GLU A 35 -1.582 -4.735 12.114 1.00 0.00 C ATOM 225 CG GLU A 35 -2.975 -4.646 12.763 1.00 0.00 C ATOM 226 CD GLU A 35 -3.582 -3.242 12.762 1.00 0.00 C ATOM 227 OE1 GLU A 35 -2.809 -2.283 12.977 1.00 0.00 O ATOM 228 OE2 GLU A 35 -4.813 -3.156 12.562 1.00 0.00 O ATOM 0 H GLU A 35 0.406 -5.167 10.769 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.366 -5.303 10.205 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.123 -5.685 12.389 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.950 -3.946 12.521 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.651 -5.322 12.239 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.907 -4.999 13.792 1.00 0.00 H new ATOM 229 N GLU A 36 -1.033 -2.288 10.190 1.00 0.00 N ATOM 230 CA GLU A 36 -1.170 -0.901 9.798 1.00 0.00 C ATOM 231 C GLU A 36 -1.549 -0.868 8.323 1.00 0.00 C ATOM 232 O GLU A 36 -2.626 -0.422 7.943 1.00 0.00 O ATOM 233 CB GLU A 36 0.197 -0.224 10.031 1.00 0.00 C ATOM 234 CG GLU A 36 0.156 1.191 10.613 1.00 0.00 C ATOM 235 CD GLU A 36 1.527 1.858 10.483 1.00 0.00 C ATOM 236 OE1 GLU A 36 2.538 1.119 10.542 1.00 0.00 O ATOM 237 OE2 GLU A 36 1.538 3.093 10.290 1.00 0.00 O ATOM 0 H GLU A 36 -0.102 -2.505 10.546 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.937 -0.379 10.371 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.782 -0.854 10.701 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.729 -0.189 9.080 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.596 1.784 10.092 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.139 1.152 11.662 1.00 0.00 H new ATOM 238 N LEU A 37 -0.623 -1.374 7.513 1.00 0.00 N ATOM 239 CA LEU A 37 -0.692 -1.478 6.073 1.00 0.00 C ATOM 240 C LEU A 37 -2.056 -2.025 5.662 1.00 0.00 C ATOM 241 O LEU A 37 -2.723 -1.450 4.809 1.00 0.00 O ATOM 242 CB LEU A 37 0.444 -2.406 5.617 1.00 0.00 C ATOM 243 CG LEU A 37 1.848 -1.787 5.737 1.00 0.00 C ATOM 244 CD1 LEU A 37 2.909 -2.887 5.679 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.092 -0.848 4.562 1.00 0.00 C ATOM 0 H LEU A 37 0.253 -1.746 7.879 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.575 -0.502 5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.410 -3.321 6.208 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.272 -2.691 4.579 1.00 0.00 H new ATOM 0 HG LEU A 37 1.910 -1.248 6.683 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.900 -2.441 5.764 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.753 -3.586 6.501 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.831 -3.418 4.731 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.086 -0.410 4.647 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.020 -1.407 3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.344 -0.055 4.569 1.00 0.00 H new ATOM 246 N TYR A 38 -2.482 -3.124 6.282 1.00 0.00 N ATOM 247 CA TYR A 38 -3.751 -3.757 5.984 1.00 0.00 C ATOM 248 C TYR A 38 -4.934 -2.890 6.376 1.00 0.00 C ATOM 249 O TYR A 38 -5.840 -2.715 5.571 1.00 0.00 O ATOM 250 CB TYR A 38 -3.828 -5.085 6.725 1.00 0.00 C ATOM 251 CG TYR A 38 -5.145 -5.821 6.551 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.620 -6.149 5.265 1.00 0.00 C ATOM 253 CD2 TYR A 38 -5.968 -6.041 7.672 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.923 -6.656 5.099 1.00 0.00 C ATOM 255 CE2 TYR A 38 -7.259 -6.567 7.506 1.00 0.00 C ATOM 256 CZ TYR A 38 -7.749 -6.845 6.221 1.00 0.00 C ATOM 257 OH TYR A 38 -9.028 -7.298 6.088 1.00 0.00 O ATOM 0 H TYR A 38 -1.947 -3.598 7.010 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.803 -3.911 4.906 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.018 -5.728 6.381 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.663 -4.905 7.787 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.982 -6.011 4.404 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.605 -5.805 8.661 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.287 -6.899 4.112 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.877 -6.758 8.371 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.352 -7.103 5.184 1.00 0.00 H new ATOM 258 N LYS A 39 -4.962 -2.370 7.605 1.00 0.00 N ATOM 259 CA LYS A 39 -6.075 -1.550 8.055 1.00 0.00 C ATOM 260 C LYS A 39 -6.218 -0.327 7.148 1.00 0.00 C ATOM 261 O LYS A 39 -7.322 0.068 6.768 1.00 0.00 O ATOM 262 CB LYS A 39 -5.822 -1.153 9.516 1.00 0.00 C ATOM 263 CG LYS A 39 -7.005 -0.402 10.137 1.00 0.00 C ATOM 264 CD LYS A 39 -6.710 -0.125 11.616 1.00 0.00 C ATOM 265 CE LYS A 39 -7.874 0.627 12.268 1.00 0.00 C ATOM 266 NZ LYS A 39 -7.606 0.892 13.692 1.00 0.00 N ATOM 0 H LYS A 39 -4.227 -2.505 8.300 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.012 -2.104 8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.618 -2.049 10.102 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.931 -0.527 9.569 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.174 0.535 9.607 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.916 -0.992 10.040 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.539 -1.065 12.140 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.796 0.461 11.706 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.040 1.569 11.745 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.789 0.042 12.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.411 1.402 14.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.471 -0.009 14.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.746 1.470 13.782 1.00 0.00 H new ATOM 267 N LYS A 40 -5.083 0.259 6.773 1.00 0.00 N ATOM 268 CA LYS A 40 -5.042 1.439 5.951 1.00 0.00 C ATOM 269 C LYS A 40 -5.485 1.105 4.527 1.00 0.00 C ATOM 270 O LYS A 40 -6.372 1.762 3.979 1.00 0.00 O ATOM 271 CB LYS A 40 -3.619 1.981 6.047 1.00 0.00 C ATOM 272 CG LYS A 40 -3.403 2.652 7.416 1.00 0.00 C ATOM 273 CD LYS A 40 -2.085 3.430 7.527 1.00 0.00 C ATOM 274 CE LYS A 40 -0.857 2.581 7.186 1.00 0.00 C ATOM 275 NZ LYS A 40 0.390 3.312 7.462 1.00 0.00 N ATOM 0 H LYS A 40 -4.161 -0.086 7.041 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.735 2.210 6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.902 1.171 5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.440 2.700 5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.232 3.332 7.611 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.428 1.887 8.192 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.121 4.291 6.860 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.982 3.816 8.541 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.877 1.659 7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.889 2.296 6.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.188 2.821 7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.318 4.278 7.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.547 3.354 8.489 1.00 0.00 H new ATOM 276 N MET A 41 -4.901 0.069 3.922 1.00 0.00 N ATOM 277 CA MET A 41 -5.294 -0.322 2.585 1.00 0.00 C ATOM 278 C MET A 41 -6.760 -0.732 2.582 1.00 0.00 C ATOM 279 O MET A 41 -7.442 -0.444 1.614 1.00 0.00 O ATOM 280 CB MET A 41 -4.428 -1.457 2.056 1.00 0.00 C ATOM 281 CG MET A 41 -3.068 -0.957 1.563 1.00 0.00 C ATOM 282 SD MET A 41 -2.151 -2.190 0.613 1.00 0.00 S ATOM 283 CE MET A 41 -1.953 -3.437 1.898 1.00 0.00 C ATOM 0 H MET A 41 -4.165 -0.502 4.337 1.00 0.00 H new ATOM 0 HA MET A 41 -5.153 0.534 1.925 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.279 -2.197 2.843 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.947 -1.960 1.240 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.217 -0.071 0.946 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.469 -0.651 2.421 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.154 -4.124 1.618 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.700 -2.951 2.841 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.884 -3.991 2.014 1.00 0.00 H new ATOM 284 N LYS A 42 -7.267 -1.394 3.625 1.00 0.00 N ATOM 285 CA LYS A 42 -8.674 -1.762 3.686 1.00 0.00 C ATOM 286 C LYS A 42 -9.490 -0.472 3.581 1.00 0.00 C ATOM 287 O LYS A 42 -10.408 -0.381 2.769 1.00 0.00 O ATOM 288 CB LYS A 42 -8.965 -2.545 4.975 1.00 0.00 C ATOM 289 CG LYS A 42 -10.444 -2.925 5.146 1.00 0.00 C ATOM 290 CD LYS A 42 -10.984 -3.728 3.956 1.00 0.00 C ATOM 291 CE LYS A 42 -12.384 -4.267 4.270 1.00 0.00 C ATOM 292 NZ LYS A 42 -12.937 -5.020 3.131 1.00 0.00 N ATOM 0 H LYS A 42 -6.720 -1.684 4.436 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.949 -2.423 2.864 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.362 -3.453 4.982 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.651 -1.948 5.831 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.563 -3.509 6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.037 -2.019 5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.021 -3.096 3.069 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.311 -4.555 3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.339 -4.912 5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.048 -3.438 4.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.960 -5.152 3.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.769 -4.491 2.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.473 -5.949 3.071 1.00 0.00 H new ATOM 293 N GLY A 43 -9.121 0.548 4.359 1.00 0.00 N ATOM 294 CA GLY A 43 -9.790 1.834 4.301 1.00 0.00 C ATOM 295 C GLY A 43 -9.751 2.418 2.887 1.00 0.00 C ATOM 296 O GLY A 43 -10.761 2.920 2.402 1.00 0.00 O ATOM 0 H GLY A 43 -8.359 0.500 5.036 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.826 1.722 4.622 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.314 2.526 4.996 1.00 0.00 H new ATOM 297 N TYR A 44 -8.593 2.383 2.218 1.00 0.00 N ATOM 298 CA TYR A 44 -8.487 2.874 0.847 1.00 0.00 C ATOM 299 C TYR A 44 -9.310 1.976 -0.097 1.00 0.00 C ATOM 300 O TYR A 44 -9.866 2.446 -1.083 1.00 0.00 O ATOM 301 CB TYR A 44 -7.013 2.884 0.411 1.00 0.00 C ATOM 302 CG TYR A 44 -6.071 3.908 1.022 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.485 5.195 1.421 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.695 3.632 0.988 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.583 6.038 2.097 1.00 0.00 C ATOM 306 CE2 TYR A 44 -3.776 4.536 1.535 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.236 5.670 2.215 1.00 0.00 C ATOM 308 OH TYR A 44 -3.376 6.466 2.910 1.00 0.00 O ATOM 0 H TYR A 44 -7.722 2.021 2.605 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.879 3.890 0.799 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.602 1.895 0.616 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.991 3.020 -0.670 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.489 5.532 1.209 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.343 2.716 0.537 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.929 6.968 2.524 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.716 4.359 1.433 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.688 6.556 3.835 1.00 0.00 H new ATOM 309 N ALA A 45 -9.393 0.677 0.195 1.00 0.00 N ATOM 310 CA ALA A 45 -10.112 -0.299 -0.606 1.00 0.00 C ATOM 311 C ALA A 45 -11.607 0.019 -0.578 1.00 0.00 C ATOM 312 O ALA A 45 -12.254 0.066 -1.623 1.00 0.00 O ATOM 313 CB ALA A 45 -9.890 -1.717 -0.072 1.00 0.00 C ATOM 0 H ALA A 45 -8.948 0.270 1.018 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.736 -0.248 -1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.439 -2.428 -0.689 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.827 -1.955 -0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.246 -1.778 0.956 1.00 0.00 H new ATOM 314 N ASP A 46 -12.153 0.228 0.629 1.00 0.00 N ATOM 315 CA ASP A 46 -13.579 0.489 0.812 1.00 0.00 C ATOM 316 C ASP A 46 -13.931 1.978 0.708 1.00 0.00 C ATOM 317 O ASP A 46 -15.100 2.310 0.533 1.00 0.00 O ATOM 318 CB ASP A 46 -14.060 -0.149 2.126 1.00 0.00 C ATOM 319 CG ASP A 46 -13.362 0.346 3.387 1.00 0.00 C ATOM 320 OD1 ASP A 46 -13.122 1.567 3.473 1.00 0.00 O ATOM 321 OD2 ASP A 46 -13.093 -0.507 4.260 1.00 0.00 O ATOM 0 H ASP A 46 -11.618 0.220 1.498 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.118 0.020 -0.011 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.130 0.033 2.228 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -13.925 -1.228 2.057 1.00 0.00 H new ATOM 322 N GLY A 47 -12.946 2.876 0.796 1.00 0.00 N ATOM 323 CA GLY A 47 -13.144 4.315 0.696 1.00 0.00 C ATOM 324 C GLY A 47 -13.319 4.999 2.054 1.00 0.00 C ATOM 325 O GLY A 47 -13.577 6.199 2.100 1.00 0.00 O ATOM 0 H GLY A 47 -11.971 2.613 0.942 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.291 4.757 0.182 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.023 4.512 0.082 1.00 0.00 H new ATOM 326 N SER A 48 -13.168 4.270 3.165 1.00 0.00 N ATOM 327 CA SER A 48 -13.293 4.835 4.504 1.00 0.00 C ATOM 328 C SER A 48 -12.045 5.643 4.881 1.00 0.00 C ATOM 329 O SER A 48 -12.035 6.266 5.942 1.00 0.00 O ATOM 330 CB SER A 48 -13.538 3.722 5.530 1.00 0.00 C ATOM 331 OG SER A 48 -13.820 4.287 6.797 1.00 0.00 O ATOM 0 H SER A 48 -12.956 3.272 3.156 1.00 0.00 H new ATOM 0 HA SER A 48 -14.147 5.512 4.508 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.370 3.096 5.208 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.661 3.078 5.597 1.00 0.00 H new ATOM 0 HG SER A 48 -13.325 5.127 6.898 1.00 0.00 H new ATOM 332 N TYR A 49 -10.982 5.584 4.073 1.00 0.00 N ATOM 333 CA TYR A 49 -9.742 6.319 4.260 1.00 0.00 C ATOM 334 C TYR A 49 -9.342 6.808 2.869 1.00 0.00 C ATOM 335 O TYR A 49 -9.725 6.190 1.878 1.00 0.00 O ATOM 336 CB TYR A 49 -8.685 5.396 4.888 1.00 0.00 C ATOM 337 CG TYR A 49 -7.306 5.973 5.179 1.00 0.00 C ATOM 338 CD1 TYR A 49 -7.131 7.305 5.605 1.00 0.00 C ATOM 339 CD2 TYR A 49 -6.186 5.122 5.108 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.838 7.800 5.854 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.900 5.605 5.405 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.724 6.950 5.763 1.00 0.00 C ATOM 343 OH TYR A 49 -3.482 7.446 6.019 1.00 0.00 O ATOM 0 H TYR A 49 -10.968 4.997 3.239 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.846 7.165 4.939 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.091 5.015 5.825 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.555 4.540 4.226 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.990 7.946 5.740 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.317 4.089 4.823 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.701 8.839 6.116 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.049 4.942 5.358 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.808 6.879 5.589 1.00 0.00 H new ATOM 344 N GLY A 50 -8.602 7.915 2.790 1.00 0.00 N ATOM 345 CA GLY A 50 -8.160 8.517 1.546 1.00 0.00 C ATOM 346 C GLY A 50 -7.827 9.974 1.821 1.00 0.00 C ATOM 347 O GLY A 50 -7.805 10.408 2.972 1.00 0.00 O ATOM 0 H GLY A 50 -8.289 8.426 3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.286 7.993 1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.939 8.441 0.788 1.00 0.00 H new ATOM 348 N GLY A 51 -7.554 10.713 0.752 1.00 0.00 N ATOM 349 CA GLY A 51 -7.227 12.097 0.693 1.00 0.00 C ATOM 350 C GLY A 51 -6.829 12.386 -0.736 1.00 0.00 C ATOM 351 O GLY A 51 -6.785 11.474 -1.557 1.00 0.00 O ATOM 0 H GLY A 51 -7.562 10.297 -0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.079 12.709 0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.412 12.332 1.377 1.00 0.00 H new ATOM 352 N GLU A 52 -6.503 13.642 -1.007 1.00 0.00 N ATOM 353 CA GLU A 52 -6.102 14.073 -2.340 1.00 0.00 C ATOM 354 C GLU A 52 -4.893 13.254 -2.804 1.00 0.00 C ATOM 355 O GLU A 52 -4.907 12.642 -3.869 1.00 0.00 O ATOM 356 CB GLU A 52 -5.784 15.577 -2.336 1.00 0.00 C ATOM 357 CG GLU A 52 -6.934 16.440 -1.792 1.00 0.00 C ATOM 358 CD GLU A 52 -8.251 16.173 -2.515 1.00 0.00 C ATOM 359 OE1 GLU A 52 -8.346 16.589 -3.690 1.00 0.00 O ATOM 360 OE2 GLU A 52 -9.129 15.549 -1.882 1.00 0.00 O ATOM 0 H GLU A 52 -6.509 14.389 -0.312 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.921 13.905 -3.039 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.892 15.751 -1.734 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.550 15.895 -3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.060 16.244 -0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.674 17.494 -1.893 1.00 0.00 H new ATOM 361 N ARG A 53 -3.857 13.211 -1.964 1.00 0.00 N ATOM 362 CA ARG A 53 -2.627 12.493 -2.236 1.00 0.00 C ATOM 363 C ARG A 53 -2.931 11.009 -2.443 1.00 0.00 C ATOM 364 O ARG A 53 -2.348 10.373 -3.317 1.00 0.00 O ATOM 365 CB ARG A 53 -1.660 12.719 -1.064 1.00 0.00 C ATOM 366 CG ARG A 53 -1.288 14.208 -0.928 1.00 0.00 C ATOM 367 CD ARG A 53 -0.412 14.502 0.296 1.00 0.00 C ATOM 368 NE ARG A 53 -1.068 14.086 1.543 1.00 0.00 N ATOM 369 CZ ARG A 53 -0.726 13.041 2.315 1.00 0.00 C ATOM 370 NH1 ARG A 53 0.366 12.301 2.089 1.00 0.00 N ATOM 371 NH2 ARG A 53 -1.508 12.717 3.347 1.00 0.00 N ATOM 0 H ARG A 53 -3.857 13.686 -1.061 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.159 12.861 -3.149 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.118 12.370 -0.139 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.757 12.128 -1.215 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.763 14.528 -1.828 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.201 14.800 -0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.541 13.983 0.195 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.191 15.569 0.339 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.862 14.646 1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.978 12.522 1.304 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.586 11.516 2.702 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.350 13.260 3.539 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.264 11.927 3.944 1.00 0.00 H new ATOM 372 N LYS A 54 -3.871 10.465 -1.664 1.00 0.00 N ATOM 373 CA LYS A 54 -4.268 9.096 -1.693 1.00 0.00 C ATOM 374 C LYS A 54 -5.473 8.860 -2.616 1.00 0.00 C ATOM 375 O LYS A 54 -6.160 7.849 -2.476 1.00 0.00 O ATOM 376 CB LYS A 54 -4.531 8.732 -0.230 1.00 0.00 C ATOM 377 CG LYS A 54 -3.291 9.030 0.637 1.00 0.00 C ATOM 378 CD LYS A 54 -3.448 10.273 1.533 1.00 0.00 C ATOM 379 CE LYS A 54 -4.094 9.951 2.885 1.00 0.00 C ATOM 380 NZ LYS A 54 -3.171 9.201 3.755 1.00 0.00 N ATOM 0 H LYS A 54 -4.386 11.010 -0.973 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.499 8.451 -2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.386 9.297 0.142 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.789 7.676 -0.154 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.081 8.164 1.265 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.428 9.169 -0.014 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.468 10.721 1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.053 11.016 1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.391 10.877 3.378 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.002 9.369 2.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.597 9.086 4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.988 8.264 3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.275 9.722 3.842 1.00 0.00 H new ATOM 381 N ALA A 55 -5.747 9.758 -3.571 1.00 0.00 N ATOM 382 CA ALA A 55 -6.848 9.552 -4.504 1.00 0.00 C ATOM 383 C ALA A 55 -6.487 8.345 -5.372 1.00 0.00 C ATOM 384 O ALA A 55 -7.254 7.388 -5.490 1.00 0.00 O ATOM 385 CB ALA A 55 -7.068 10.811 -5.347 1.00 0.00 C ATOM 0 H ALA A 55 -5.225 10.623 -3.713 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.782 9.359 -3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.893 10.645 -6.040 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.307 11.650 -4.693 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.161 11.036 -5.909 1.00 0.00 H new ATOM 386 N MET A 56 -5.275 8.396 -5.939 1.00 0.00 N ATOM 387 CA MET A 56 -4.715 7.334 -6.759 1.00 0.00 C ATOM 388 C MET A 56 -4.721 6.045 -5.939 1.00 0.00 C ATOM 389 O MET A 56 -5.172 5.005 -6.409 1.00 0.00 O ATOM 390 CB MET A 56 -3.285 7.703 -7.182 1.00 0.00 C ATOM 391 CG MET A 56 -3.233 8.929 -8.103 1.00 0.00 C ATOM 392 SD MET A 56 -4.107 8.754 -9.680 1.00 0.00 S ATOM 393 CE MET A 56 -3.777 10.379 -10.396 1.00 0.00 C ATOM 0 H MET A 56 -4.650 9.196 -5.834 1.00 0.00 H new ATOM 0 HA MET A 56 -5.308 7.195 -7.663 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.687 7.898 -6.292 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.831 6.853 -7.691 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.651 9.782 -7.568 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.189 9.163 -8.310 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.246 10.446 -11.378 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.185 11.153 -9.745 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.701 10.520 -10.498 1.00 0.00 H new ATOM 394 N MET A 57 -4.239 6.137 -4.697 1.00 0.00 N ATOM 395 CA MET A 57 -4.193 5.025 -3.763 1.00 0.00 C ATOM 396 C MET A 57 -5.556 4.352 -3.667 1.00 0.00 C ATOM 397 O MET A 57 -5.689 3.171 -3.979 1.00 0.00 O ATOM 398 CB MET A 57 -3.766 5.544 -2.382 1.00 0.00 C ATOM 399 CG MET A 57 -2.248 5.612 -2.232 1.00 0.00 C ATOM 400 SD MET A 57 -1.415 4.034 -2.501 1.00 0.00 S ATOM 401 CE MET A 57 -2.420 2.872 -1.552 1.00 0.00 C ATOM 0 H MET A 57 -3.865 7.004 -4.312 1.00 0.00 H new ATOM 0 HA MET A 57 -3.472 4.289 -4.118 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.189 6.536 -2.222 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.176 4.894 -1.609 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.855 6.344 -2.938 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.007 5.973 -1.232 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.175 1.852 -1.849 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.217 2.999 -0.489 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.476 3.062 -1.745 1.00 0.00 H new ATOM 402 N THR A 58 -6.564 5.114 -3.242 1.00 0.00 N ATOM 403 CA THR A 58 -7.919 4.611 -3.090 1.00 0.00 C ATOM 404 C THR A 58 -8.374 3.941 -4.386 1.00 0.00 C ATOM 405 O THR A 58 -8.814 2.792 -4.376 1.00 0.00 O ATOM 406 CB THR A 58 -8.843 5.773 -2.685 1.00 0.00 C ATOM 407 OG1 THR A 58 -8.325 6.430 -1.543 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.255 5.296 -2.340 1.00 0.00 C ATOM 0 H THR A 58 -6.458 6.098 -2.995 1.00 0.00 H new ATOM 0 HA THR A 58 -7.958 3.856 -2.305 1.00 0.00 H new ATOM 0 HB THR A 58 -8.891 6.445 -3.542 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.602 7.034 -1.813 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.870 6.151 -2.060 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.694 4.801 -3.207 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.209 4.595 -1.507 1.00 0.00 H new ATOM 409 N ASN A 59 -8.243 4.652 -5.509 1.00 0.00 N ATOM 410 CA ASN A 59 -8.630 4.127 -6.811 1.00 0.00 C ATOM 411 C ASN A 59 -7.881 2.832 -7.144 1.00 0.00 C ATOM 412 O ASN A 59 -8.446 1.952 -7.790 1.00 0.00 O ATOM 413 CB ASN A 59 -8.354 5.189 -7.882 1.00 0.00 C ATOM 414 CG ASN A 59 -8.656 4.665 -9.283 1.00 0.00 C ATOM 415 OD1 ASN A 59 -7.751 4.431 -10.074 1.00 0.00 O ATOM 416 ND2 ASN A 59 -9.933 4.488 -9.610 1.00 0.00 N ATOM 0 H ASN A 59 -7.868 5.600 -5.537 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.694 3.890 -6.786 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.961 6.072 -7.684 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.311 5.500 -7.826 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.179 4.149 -10.540 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.666 4.691 -8.931 1.00 0.00 H new ATOM 417 N ALA A 60 -6.630 2.700 -6.698 1.00 0.00 N ATOM 418 CA ALA A 60 -5.805 1.547 -6.992 1.00 0.00 C ATOM 419 C ALA A 60 -6.087 0.327 -6.121 1.00 0.00 C ATOM 420 O ALA A 60 -6.465 -0.720 -6.642 1.00 0.00 O ATOM 421 CB ALA A 60 -4.326 1.916 -6.817 1.00 0.00 C ATOM 0 H ALA A 60 -6.166 3.400 -6.119 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.047 1.273 -8.019 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.706 1.048 -7.038 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.070 2.728 -7.498 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.150 2.235 -5.790 1.00 0.00 H new ATOM 422 N VAL A 61 -5.919 0.443 -4.799 1.00 0.00 N ATOM 423 CA VAL A 61 -5.963 -0.746 -3.951 1.00 0.00 C ATOM 424 C VAL A 61 -7.292 -1.489 -4.047 1.00 0.00 C ATOM 425 O VAL A 61 -7.295 -2.705 -3.881 1.00 0.00 O ATOM 426 CB VAL A 61 -5.638 -0.443 -2.480 1.00 0.00 C ATOM 427 CG1 VAL A 61 -4.582 0.631 -2.270 1.00 0.00 C ATOM 428 CG2 VAL A 61 -6.814 -0.199 -1.555 1.00 0.00 C ATOM 0 H VAL A 61 -5.756 1.322 -4.307 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.181 -1.397 -4.341 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.218 -1.403 -2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.419 0.777 -1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.649 0.321 -2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.920 1.566 -2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.449 0.003 -0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.386 0.657 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.454 -1.082 -1.539 1.00 0.00 H new ATOM 429 N LYS A 62 -8.411 -0.801 -4.308 1.00 0.00 N ATOM 430 CA LYS A 62 -9.700 -1.480 -4.408 1.00 0.00 C ATOM 431 C LYS A 62 -9.698 -2.599 -5.465 1.00 0.00 C ATOM 432 O LYS A 62 -10.592 -3.441 -5.451 1.00 0.00 O ATOM 433 CB LYS A 62 -10.819 -0.457 -4.625 1.00 0.00 C ATOM 434 CG LYS A 62 -10.708 0.352 -5.920 1.00 0.00 C ATOM 435 CD LYS A 62 -11.960 1.205 -6.178 1.00 0.00 C ATOM 436 CE LYS A 62 -12.281 2.213 -5.061 1.00 0.00 C ATOM 437 NZ LYS A 62 -13.084 1.630 -3.967 1.00 0.00 N ATOM 0 H LYS A 62 -8.447 0.208 -4.451 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.891 -1.986 -3.461 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.776 -0.980 -4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.829 0.234 -3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.833 1.000 -5.868 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.553 -0.327 -6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.829 1.748 -7.114 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.816 0.543 -6.310 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.349 2.602 -4.652 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.819 3.059 -5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.798 2.319 -3.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.559 0.769 -4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.462 1.391 -3.169 1.00 0.00 H new ATOM 438 N LYS A 63 -8.719 -2.631 -6.382 1.00 0.00 N ATOM 439 CA LYS A 63 -8.620 -3.709 -7.360 1.00 0.00 C ATOM 440 C LYS A 63 -8.327 -5.047 -6.659 1.00 0.00 C ATOM 441 O LYS A 63 -8.593 -6.110 -7.216 1.00 0.00 O ATOM 442 CB LYS A 63 -7.517 -3.381 -8.382 1.00 0.00 C ATOM 443 CG LYS A 63 -6.097 -3.554 -7.814 1.00 0.00 C ATOM 444 CD LYS A 63 -5.036 -2.879 -8.692 1.00 0.00 C ATOM 445 CE LYS A 63 -4.888 -3.583 -10.045 1.00 0.00 C ATOM 446 NZ LYS A 63 -3.771 -3.014 -10.818 1.00 0.00 N ATOM 0 H LYS A 63 -7.990 -1.922 -6.461 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.571 -3.802 -7.884 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.634 -4.025 -9.253 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.642 -2.354 -8.725 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.056 -3.134 -6.809 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.870 -4.616 -7.725 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.307 -1.835 -8.853 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.078 -2.883 -8.173 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.720 -4.649 -9.888 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.814 -3.486 -10.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.692 -3.508 -11.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.945 -2.003 -10.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.886 -3.129 -10.285 1.00 0.00 H new ATOM 447 N TYR A 64 -7.733 -4.994 -5.462 1.00 0.00 N ATOM 448 CA TYR A 64 -7.360 -6.103 -4.636 1.00 0.00 C ATOM 449 C TYR A 64 -8.449 -6.297 -3.585 1.00 0.00 C ATOM 450 O TYR A 64 -9.048 -5.354 -3.073 1.00 0.00 O ATOM 451 CB TYR A 64 -6.039 -5.774 -3.933 1.00 0.00 C ATOM 452 CG TYR A 64 -4.874 -5.359 -4.812 1.00 0.00 C ATOM 453 CD1 TYR A 64 -4.360 -6.220 -5.801 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.248 -4.123 -4.576 1.00 0.00 C ATOM 455 CE1 TYR A 64 -3.250 -5.822 -6.573 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.170 -3.712 -5.374 1.00 0.00 C ATOM 457 CZ TYR A 64 -2.655 -4.567 -6.358 1.00 0.00 C ATOM 458 OH TYR A 64 -1.633 -4.133 -7.150 1.00 0.00 O ATOM 0 H TYR A 64 -7.491 -4.102 -5.031 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.243 -7.006 -5.234 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.226 -4.972 -3.219 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.735 -6.649 -3.358 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.816 -7.185 -5.968 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.598 -3.487 -3.777 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.856 -6.483 -7.331 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.736 -2.734 -5.230 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.809 -4.606 -6.910 1.00 0.00 H new ATOM 459 N SER A 65 -8.666 -7.560 -3.275 1.00 0.00 N ATOM 460 CA SER A 65 -9.599 -8.080 -2.289 1.00 0.00 C ATOM 461 C SER A 65 -8.872 -8.202 -0.947 1.00 0.00 C ATOM 462 O SER A 65 -7.650 -8.101 -0.908 1.00 0.00 O ATOM 463 CB SER A 65 -10.088 -9.444 -2.781 1.00 0.00 C ATOM 464 OG SER A 65 -8.974 -10.287 -3.016 1.00 0.00 O ATOM 0 H SER A 65 -8.155 -8.310 -3.742 1.00 0.00 H new ATOM 0 HA SER A 65 -10.456 -7.420 -2.156 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.749 -9.894 -2.040 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.668 -9.326 -3.696 1.00 0.00 H new ATOM 0 HG SER A 65 -9.286 -11.162 -3.330 1.00 0.00 H new ATOM 465 N ASP A 66 -9.588 -8.457 0.153 1.00 0.00 N ATOM 466 CA ASP A 66 -8.975 -8.574 1.476 1.00 0.00 C ATOM 467 C ASP A 66 -7.764 -9.513 1.488 1.00 0.00 C ATOM 468 O ASP A 66 -6.750 -9.175 2.088 1.00 0.00 O ATOM 469 CB ASP A 66 -10.018 -9.028 2.499 1.00 0.00 C ATOM 470 CG ASP A 66 -10.899 -7.855 2.899 1.00 0.00 C ATOM 471 OD1 ASP A 66 -11.916 -7.640 2.206 1.00 0.00 O ATOM 472 OD2 ASP A 66 -10.512 -7.166 3.867 1.00 0.00 O ATOM 0 H ASP A 66 -10.600 -8.587 0.150 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.605 -7.585 1.748 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.630 -9.826 2.077 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.522 -9.438 3.379 1.00 0.00 H new ATOM 473 N GLU A 67 -7.852 -10.678 0.839 1.00 0.00 N ATOM 474 CA GLU A 67 -6.739 -11.624 0.791 1.00 0.00 C ATOM 475 C GLU A 67 -5.529 -10.968 0.118 1.00 0.00 C ATOM 476 O GLU A 67 -4.430 -10.952 0.667 1.00 0.00 O ATOM 477 CB GLU A 67 -7.187 -12.896 0.050 1.00 0.00 C ATOM 478 CG GLU A 67 -6.091 -13.975 -0.039 1.00 0.00 C ATOM 479 CD GLU A 67 -5.104 -13.763 -1.188 1.00 0.00 C ATOM 480 OE1 GLU A 67 -5.577 -13.600 -2.333 1.00 0.00 O ATOM 481 OE2 GLU A 67 -3.880 -13.797 -0.929 1.00 0.00 O ATOM 0 H GLU A 67 -8.686 -10.987 0.339 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.440 -11.907 1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.057 -13.314 0.556 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.503 -12.627 -0.958 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.540 -13.997 0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.564 -14.950 -0.154 1.00 0.00 H new ATOM 482 N GLU A 68 -5.742 -10.432 -1.084 1.00 0.00 N ATOM 483 CA GLU A 68 -4.715 -9.769 -1.872 1.00 0.00 C ATOM 484 C GLU A 68 -4.079 -8.635 -1.052 1.00 0.00 C ATOM 485 O GLU A 68 -2.858 -8.528 -0.969 1.00 0.00 O ATOM 486 CB GLU A 68 -5.370 -9.242 -3.154 1.00 0.00 C ATOM 487 CG GLU A 68 -5.940 -10.330 -4.076 1.00 0.00 C ATOM 488 CD GLU A 68 -4.882 -10.922 -4.994 1.00 0.00 C ATOM 489 OE1 GLU A 68 -4.151 -11.818 -4.521 1.00 0.00 O ATOM 490 OE2 GLU A 68 -4.820 -10.466 -6.155 1.00 0.00 O ATOM 0 H GLU A 68 -6.653 -10.449 -1.542 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.917 -10.463 -2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.174 -8.558 -2.881 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.634 -8.662 -3.710 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.377 -11.124 -3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.745 -9.908 -4.678 1.00 0.00 H new ATOM 491 N LEU A 69 -4.911 -7.794 -0.435 1.00 0.00 N ATOM 492 CA LEU A 69 -4.484 -6.678 0.397 1.00 0.00 C ATOM 493 C LEU A 69 -3.667 -7.177 1.587 1.00 0.00 C ATOM 494 O LEU A 69 -2.620 -6.615 1.906 1.00 0.00 O ATOM 495 CB LEU A 69 -5.712 -5.912 0.900 1.00 0.00 C ATOM 496 CG LEU A 69 -6.450 -5.127 -0.190 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.647 -4.423 0.448 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.549 -4.090 -0.861 1.00 0.00 C ATOM 0 H LEU A 69 -5.925 -7.876 -0.505 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.859 -6.015 -0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.405 -6.618 1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.400 -5.220 1.683 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.771 -5.827 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.185 -3.858 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.313 -5.165 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.297 -3.743 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.114 -3.558 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.192 -3.381 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.698 -4.591 -1.321 1.00 0.00 H new ATOM 499 N LYS A 70 -4.143 -8.221 2.266 1.00 0.00 N ATOM 500 CA LYS A 70 -3.424 -8.771 3.398 1.00 0.00 C ATOM 501 C LYS A 70 -2.069 -9.283 2.911 1.00 0.00 C ATOM 502 O LYS A 70 -1.061 -9.016 3.555 1.00 0.00 O ATOM 503 CB LYS A 70 -4.246 -9.879 4.074 1.00 0.00 C ATOM 504 CG LYS A 70 -3.674 -10.268 5.447 1.00 0.00 C ATOM 505 CD LYS A 70 -4.047 -9.236 6.523 1.00 0.00 C ATOM 506 CE LYS A 70 -3.415 -9.572 7.879 1.00 0.00 C ATOM 507 NZ LYS A 70 -1.970 -9.278 7.897 1.00 0.00 N ATOM 0 H LYS A 70 -5.019 -8.695 2.048 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.259 -7.999 4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.276 -9.544 4.193 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.269 -10.758 3.429 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.051 -11.249 5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.589 -10.351 5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.720 -8.246 6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.131 -9.196 6.627 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.912 -9.001 8.663 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.574 -10.627 8.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.578 -9.518 8.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.492 -9.842 7.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.819 -8.266 7.708 1.00 0.00 H new ATOM 508 N ALA A 71 -2.024 -9.964 1.761 1.00 0.00 N ATOM 509 CA ALA A 71 -0.779 -10.485 1.225 1.00 0.00 C ATOM 510 C ALA A 71 0.162 -9.322 0.929 1.00 0.00 C ATOM 511 O ALA A 71 1.340 -9.376 1.281 1.00 0.00 O ATOM 512 CB ALA A 71 -1.051 -11.321 -0.025 1.00 0.00 C ATOM 0 H ALA A 71 -2.843 -10.164 1.187 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.303 -11.138 1.956 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.110 -11.706 -0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.706 -12.154 0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.532 -10.700 -0.781 1.00 0.00 H new ATOM 513 N LEU A 72 -0.351 -8.265 0.287 1.00 0.00 N ATOM 514 CA LEU A 72 0.438 -7.083 -0.001 1.00 0.00 C ATOM 515 C LEU A 72 1.046 -6.548 1.286 1.00 0.00 C ATOM 516 O LEU A 72 2.251 -6.332 1.349 1.00 0.00 O ATOM 517 CB LEU A 72 -0.483 -5.994 -0.553 1.00 0.00 C ATOM 518 CG LEU A 72 -0.579 -6.016 -2.064 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.399 -4.812 -2.482 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.811 -5.807 -2.630 1.00 0.00 C ATOM 0 H LEU A 72 -1.316 -8.214 -0.040 1.00 0.00 H new ATOM 0 HA LEU A 72 1.218 -7.343 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.479 -6.118 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.118 -5.019 -0.231 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.014 -6.954 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.491 -4.793 -3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.391 -4.875 -2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.906 -3.901 -2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.766 -5.819 -3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.200 -4.846 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.468 -6.605 -2.285 1.00 0.00 H new ATOM 521 N ALA A 73 0.204 -6.294 2.293 1.00 0.00 N ATOM 522 CA ALA A 73 0.660 -5.746 3.558 1.00 0.00 C ATOM 523 C ALA A 73 1.695 -6.665 4.196 1.00 0.00 C ATOM 524 O ALA A 73 2.712 -6.187 4.685 1.00 0.00 O ATOM 525 CB ALA A 73 -0.516 -5.594 4.526 1.00 0.00 C ATOM 0 H ALA A 73 -0.801 -6.463 2.248 1.00 0.00 H new ATOM 0 HA ALA A 73 1.106 -4.771 3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.159 -5.182 5.470 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.258 -4.922 4.094 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.969 -6.569 4.704 1.00 0.00 H new ATOM 526 N ASP A 74 1.430 -7.974 4.222 1.00 0.00 N ATOM 527 CA ASP A 74 2.343 -8.957 4.787 1.00 0.00 C ATOM 528 C ASP A 74 3.696 -8.790 4.105 1.00 0.00 C ATOM 529 O ASP A 74 4.714 -8.684 4.786 1.00 0.00 O ATOM 530 CB ASP A 74 1.814 -10.388 4.600 1.00 0.00 C ATOM 531 CG ASP A 74 0.545 -10.692 5.393 1.00 0.00 C ATOM 532 OD1 ASP A 74 0.344 -10.048 6.446 1.00 0.00 O ATOM 533 OD2 ASP A 74 -0.202 -11.587 4.940 1.00 0.00 O ATOM 0 H ASP A 74 0.571 -8.378 3.849 1.00 0.00 H new ATOM 0 HA ASP A 74 2.437 -8.793 5.861 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.617 -10.556 3.541 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.591 -11.093 4.895 1.00 0.00 H new ATOM 534 N TYR A 75 3.703 -8.736 2.766 1.00 0.00 N ATOM 535 CA TYR A 75 4.939 -8.538 2.031 1.00 0.00 C ATOM 536 C TYR A 75 5.562 -7.208 2.452 1.00 0.00 C ATOM 537 O TYR A 75 6.671 -7.209 2.974 1.00 0.00 O ATOM 538 CB TYR A 75 4.705 -8.586 0.513 1.00 0.00 C ATOM 539 CG TYR A 75 5.892 -8.055 -0.273 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.190 -8.504 0.047 1.00 0.00 C ATOM 541 CD2 TYR A 75 5.737 -6.914 -1.083 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.314 -7.761 -0.351 1.00 0.00 C ATOM 543 CE2 TYR A 75 6.869 -6.232 -1.562 1.00 0.00 C ATOM 544 CZ TYR A 75 8.153 -6.615 -1.144 1.00 0.00 C ATOM 545 OH TYR A 75 9.227 -5.858 -1.497 1.00 0.00 O ATOM 0 H TYR A 75 2.871 -8.827 2.183 1.00 0.00 H new ATOM 0 HA TYR A 75 5.627 -9.349 2.269 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.504 -9.614 0.211 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.819 -8.002 0.266 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.320 -9.422 0.600 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.748 -6.562 -1.337 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.302 -8.072 -0.046 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.750 -5.411 -2.254 1.00 0.00 H new ATOM 0 HH TYR A 75 9.954 -6.003 -0.856 1.00 0.00 H new ATOM 546 N MET A 76 4.871 -6.081 2.248 1.00 0.00 N ATOM 547 CA MET A 76 5.405 -4.780 2.619 1.00 0.00 C ATOM 548 C MET A 76 5.951 -4.714 4.051 1.00 0.00 C ATOM 549 O MET A 76 6.928 -4.016 4.309 1.00 0.00 O ATOM 550 CB MET A 76 4.308 -3.732 2.476 1.00 0.00 C ATOM 551 CG MET A 76 4.112 -3.279 1.036 1.00 0.00 C ATOM 552 SD MET A 76 2.902 -1.948 0.938 1.00 0.00 S ATOM 553 CE MET A 76 1.377 -2.891 1.088 1.00 0.00 C ATOM 0 H MET A 76 3.942 -6.051 1.828 1.00 0.00 H new ATOM 0 HA MET A 76 6.244 -4.592 1.948 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.371 -4.139 2.855 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.554 -2.868 3.094 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.063 -2.942 0.624 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.782 -4.121 0.428 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.759 -2.726 0.206 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.612 -3.952 1.173 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.835 -2.567 1.977 1.00 0.00 H new ATOM 554 N SER A 77 5.324 -5.410 4.998 1.00 0.00 N ATOM 555 CA SER A 77 5.774 -5.416 6.387 1.00 0.00 C ATOM 556 C SER A 77 7.235 -5.881 6.470 1.00 0.00 C ATOM 557 O SER A 77 7.941 -5.509 7.405 1.00 0.00 O ATOM 558 CB SER A 77 4.839 -6.279 7.235 1.00 0.00 C ATOM 559 OG SER A 77 4.918 -5.920 8.606 1.00 0.00 O ATOM 0 H SER A 77 4.497 -5.981 4.825 1.00 0.00 H new ATOM 0 HA SER A 77 5.737 -4.404 6.789 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.814 -6.163 6.884 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.100 -7.330 7.115 1.00 0.00 H new ATOM 0 HG SER A 77 5.836 -5.653 8.822 1.00 0.00 H new ATOM 560 N LYS A 78 7.669 -6.708 5.512 1.00 0.00 N ATOM 561 CA LYS A 78 9.032 -7.186 5.345 1.00 0.00 C ATOM 562 C LYS A 78 9.433 -6.771 3.919 1.00 0.00 C ATOM 563 O LYS A 78 9.845 -7.600 3.110 1.00 0.00 O ATOM 564 CB LYS A 78 9.071 -8.702 5.609 1.00 0.00 C ATOM 565 CG LYS A 78 10.457 -9.361 5.494 1.00 0.00 C ATOM 566 CD LYS A 78 11.528 -8.656 6.338 1.00 0.00 C ATOM 567 CE LYS A 78 12.855 -9.424 6.316 1.00 0.00 C ATOM 568 NZ LYS A 78 13.434 -9.476 4.961 1.00 0.00 N ATOM 0 H LYS A 78 7.040 -7.077 4.799 1.00 0.00 H new ATOM 0 HA LYS A 78 9.748 -6.761 6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.682 -8.889 6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.396 -9.192 4.908 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.385 -10.403 5.805 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.768 -9.361 4.449 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.685 -7.646 5.960 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.178 -8.561 7.366 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.562 -8.948 6.996 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.694 -10.438 6.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.384 -9.898 5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.827 -10.054 4.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.501 -8.513 4.575 1.00 0.00 H new ATOM 569 N LEU A 79 9.239 -5.476 3.635 1.00 0.00 N ATOM 570 CA LEU A 79 9.493 -4.808 2.365 1.00 0.00 C ATOM 571 C LEU A 79 10.824 -5.260 1.745 1.00 0.00 C ATOM 572 O LEU A 79 10.786 -5.745 0.591 1.00 0.00 O ATOM 573 CB LEU A 79 9.501 -3.280 2.606 1.00 0.00 C ATOM 574 CG LEU A 79 8.966 -2.361 1.488 1.00 0.00 C ATOM 575 CD1 LEU A 79 8.917 -3.001 0.112 1.00 0.00 C ATOM 576 CD2 LEU A 79 7.561 -1.830 1.752 1.00 0.00 C ATOM 577 OXT LEU A 79 11.862 -5.077 2.421 1.00 0.00 O ATOM 0 H LEU A 79 8.877 -4.831 4.337 1.00 0.00 H new ATOM 0 HA LEU A 79 8.705 -5.074 1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.919 -3.082 3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.528 -2.982 2.819 1.00 0.00 H new ATOM 0 HG LEU A 79 9.698 -1.554 1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.529 -2.283 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.921 -3.306 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.266 -3.875 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.252 -1.192 0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.868 -2.666 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.558 -1.252 2.676 1.00 0.00 H new TER 578 LEU A 79 HETATM 579 FE HEM A 80 0.911 3.971 -2.244 1.00 6.41 FE HETATM 580 CHA HEM A 80 0.661 5.110 0.948 1.00 5.52 C HETATM 581 CHB HEM A 80 0.180 0.816 -1.120 1.00 7.91 C HETATM 582 CHC HEM A 80 0.754 2.838 -5.460 1.00 6.02 C HETATM 583 CHD HEM A 80 1.292 7.201 -3.368 1.00 10.53 C HETATM 584 NA HEM A 80 0.661 3.117 -0.461 1.00 6.22 N HETATM 585 C1A HEM A 80 0.590 3.750 0.756 1.00 6.23 C HETATM 586 C2A HEM A 80 0.468 2.807 1.827 1.00 8.27 C HETATM 587 C3A HEM A 80 0.469 1.585 1.259 1.00 7.07 C HETATM 588 C4A HEM A 80 0.450 1.788 -0.172 1.00 9.92 C HETATM 589 CMA HEM A 80 0.514 0.275 1.967 1.00 7.00 C HETATM 590 CAA HEM A 80 0.419 3.185 3.282 1.00 7.29 C HETATM 591 CBA HEM A 80 -0.867 3.925 3.666 1.00 11.15 C HETATM 592 CGA HEM A 80 -0.676 5.031 4.689 1.00 22.27 C HETATM 593 O1A HEM A 80 0.394 5.121 5.280 1.00 18.65 O HETATM 594 O2A HEM A 80 -1.613 5.806 4.857 1.00 17.21 O HETATM 595 NB HEM A 80 0.426 2.228 -3.112 1.00 4.54 N HETATM 596 C1B HEM A 80 0.060 1.054 -2.488 1.00 10.91 C HETATM 597 C2B HEM A 80 -0.468 0.129 -3.468 1.00 5.88 C HETATM 598 C3B HEM A 80 -0.053 0.587 -4.678 1.00 -0.05 C HETATM 599 C4B HEM A 80 0.412 1.940 -4.461 1.00 4.49 C HETATM 600 CMB HEM A 80 -1.260 -1.118 -3.171 1.00 4.31 C HETATM 601 CAB HEM A 80 -0.045 -0.147 -6.001 1.00 6.35 C HETATM 602 CBB HEM A 80 -1.397 -0.583 -6.566 1.00 6.48 C HETATM 603 NC HEM A 80 1.124 4.822 -4.032 1.00 3.58 N HETATM 604 C1C HEM A 80 1.044 4.183 -5.259 1.00 4.45 C HETATM 605 C2C HEM A 80 1.339 5.100 -6.322 1.00 5.77 C HETATM 606 C3C HEM A 80 1.660 6.286 -5.741 1.00 8.44 C HETATM 607 C4C HEM A 80 1.359 6.159 -4.314 1.00 11.13 C HETATM 608 CMC HEM A 80 1.358 4.719 -7.782 1.00 8.62 C HETATM 609 CAC HEM A 80 2.238 7.492 -6.435 1.00 3.39 C HETATM 610 CBC HEM A 80 1.166 8.328 -7.147 1.00 10.94 C HETATM 611 ND HEM A 80 0.921 5.801 -1.387 1.00 4.28 N HETATM 612 C1D HEM A 80 1.053 7.037 -1.990 1.00 5.02 C HETATM 613 C2D HEM A 80 0.967 8.085 -0.956 1.00 3.97 C HETATM 614 C3D HEM A 80 0.959 7.448 0.257 1.00 5.11 C HETATM 615 C4D HEM A 80 0.834 6.056 -0.035 1.00 9.05 C HETATM 616 CMD HEM A 80 0.920 9.573 -1.209 1.00 5.28 C HETATM 617 CAD HEM A 80 1.115 7.971 1.686 1.00 9.04 C HETATM 618 CBD HEM A 80 -0.104 8.627 2.329 1.00 6.36 C HETATM 619 CGD HEM A 80 0.279 9.336 3.624 1.00 6.46 C HETATM 620 O1D HEM A 80 1.306 8.994 4.206 1.00 8.25 O HETATM 621 O2D HEM A 80 -0.429 10.267 3.997 1.00 15.15 O HETATM 0 HMA1 HEM A 80 0.017 -0.483 1.362 1.00 7.00 H new HETATM 0 HMA2 HEM A 80 0.006 0.363 2.927 1.00 7.00 H new HETATM 0 HMA3 HEM A 80 1.552 -0.015 2.131 1.00 7.00 H new HETATM 0 HMB1 HEM A 80 -1.949 -1.316 -3.992 1.00 4.31 H new HETATM 0 HMB2 HEM A 80 -1.825 -0.979 -2.249 1.00 4.31 H new HETATM 0 HMB3 HEM A 80 -0.580 -1.962 -3.056 1.00 4.31 H new HETATM 0 HMC1 HEM A 80 1.077 5.581 -8.387 1.00 8.62 H new HETATM 0 HMC2 HEM A 80 0.651 3.908 -7.956 1.00 8.62 H new HETATM 0 HMC3 HEM A 80 2.360 4.392 -8.060 1.00 8.62 H new HETATM 0 HMD1 HEM A 80 0.352 10.059 -0.416 1.00 5.28 H new HETATM 0 HMD2 HEM A 80 0.440 9.764 -2.169 1.00 5.28 H new HETATM 0 HMD3 HEM A 80 1.934 9.972 -1.225 1.00 5.28 H new HETATM 0 HBB1 HEM A 80 -1.445 -1.115 -7.516 1.00 6.48 H new HETATM 0 HBB2 HEM A 80 -2.313 -0.362 -6.019 1.00 6.48 H new HETATM 0 HBC1 HEM A 80 1.449 9.230 -7.689 1.00 10.94 H new HETATM 0 HBC2 HEM A 80 0.121 8.020 -7.110 1.00 10.94 H new HETATM 0 HBA1 HEM A 80 -1.583 3.203 4.059 1.00 11.15 H new HETATM 0 HBA2 HEM A 80 -1.308 4.353 2.765 1.00 11.15 H new HETATM 0 HAA1 HEM A 80 1.278 3.814 3.517 1.00 7.29 H new HETATM 0 HAA2 HEM A 80 0.508 2.284 3.889 1.00 7.29 H new HETATM 0 HBD1 HEM A 80 -0.863 7.872 2.534 1.00 6.36 H new HETATM 0 HBD2 HEM A 80 -0.545 9.342 1.635 1.00 6.36 H new HETATM 0 HAD1 HEM A 80 1.930 8.694 1.693 1.00 9.04 H new HETATM 0 HAD2 HEM A 80 1.422 7.138 2.318 1.00 9.04 H new HETATM 0 HHA HEM A 80 0.573 5.468 1.963 1.00 5.52 H new HETATM 0 HHB HEM A 80 0.053 -0.199 -0.775 1.00 7.91 H new HETATM 0 HHC HEM A 80 0.799 2.464 -6.472 1.00 6.02 H new HETATM 0 HHD HEM A 80 1.436 8.208 -3.730 1.00 10.53 H new HETATM 0 HAB HEM A 80 0.885 -0.356 -6.529 1.00 6.35 H new HETATM 0 HAC HEM A 80 3.299 7.743 -6.432 1.00 3.39 H new