USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 621 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 Single : A 1 MET CE :methyl -172:sc= -34.4! (180deg=-34.5!) USER MOD Single : A 1 MET N :NH3+ 169:sc= 0.814 (180deg=0.147!) USER MOD Single : A 2 MET CE :methyl 154:sc= -33.3! (180deg=-33.5!) USER MOD Single : A 3 LYS NZ :NH3+ -172:sc= -32.5! (180deg=-32.7!) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-2) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.797 USER MOD Single : A 9 THR OG1 : rot 110:sc= -9.06! USER MOD Single : A 11 CYS SG : rot 180:sc= -34.1! USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.198 USER MOD Single : A 15 GLN : amide:sc= -0.0353 K(o=-0.035,f=-0.64!) USER MOD Single : A 16 MET CE :methyl 142:sc= -35! (180deg=-35.2!) USER MOD Single : A 19 LYS NZ :NH3+ 152:sc= -34.6! (180deg=-34.7!) USER MOD Single : A 20 ASN : amide:sc= -0.309! C(o=-0.31!,f=-12!) USER MOD Single : A 26 LYS NZ :NH3+ 157:sc= -5.77! (180deg=-5.93!) USER MOD Single : A 36 LYS NZ :NH3+ -158:sc= -33.7! (180deg=-33.8!) USER MOD Single : A 38 LYS NZ :NH3+ -105:sc= -6.97! (180deg=-7.5!) USER MOD Single : A 40 MET CE :methyl -92:sc= -32.2! (180deg=-32.5!) USER MOD Single : A 42 GLN : amide:sc= -0.0804 X(o=-0.08,f=-0.35) USER MOD Single : A 49 THR OG1 : rot 69:sc= -6.25! USER MOD Single : A 61 LYS NZ :NH3+ -166:sc= -7.95! (180deg=-8.5!) USER MOD Single : A 63 MET CE :methyl 155:sc= -32.9! (180deg=-33.1!) USER MOD Single : A 68 SER OG : rot 35:sc= -33.3! USER MOD Single : A 69 LYS NZ :NH3+ 176:sc= -6.6! (180deg=-6.91!) USER MOD Single : A 73 LYS NZ :NH3+ -164:sc= -7.51! (180deg=-7.58!) USER MOD Single : A 74 LYS NZ :NH3+ -173:sc= -35.8! (180deg=-35.9!) USER MOD Single : A 77 SER OG : rot -169:sc= -5.35! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.329 -10.431 -8.305 1.00 0.60 N ATOM 2 CA MET A 1 4.775 -9.147 -8.388 1.00 0.45 C ATOM 3 C MET A 1 3.671 -8.107 -8.283 1.00 0.45 C ATOM 4 O MET A 1 3.325 -7.462 -9.268 1.00 0.49 O ATOM 5 CB MET A 1 5.471 -9.058 -9.595 1.00 0.63 C ATOM 6 CG MET A 1 6.208 -9.253 -9.875 1.00 1.40 C ATOM 7 SD MET A 1 6.804 -9.862 -10.693 1.00 2.09 S ATOM 8 CE MET A 1 7.395 -9.901 -11.218 1.00 2.66 C ATOM 0 H1 MET A 1 5.096 -11.083 -8.568 1.00 0.60 H new ATOM 0 H2 MET A 1 4.024 -10.630 -7.331 1.00 0.60 H new ATOM 0 H3 MET A 1 3.526 -10.562 -8.953 1.00 0.60 H new ATOM 0 HA MET A 1 5.418 -8.921 -7.537 1.00 0.45 H new ATOM 0 HB2 MET A 1 4.810 -9.579 -10.287 1.00 0.63 H new ATOM 0 HB3 MET A 1 5.403 -7.995 -9.829 1.00 0.63 H new ATOM 0 HG2 MET A 1 6.626 -8.258 -10.030 1.00 1.40 H new ATOM 0 HG3 MET A 1 6.661 -9.651 -8.967 1.00 1.40 H new ATOM 0 HE1 MET A 1 7.302 -10.816 -11.803 1.00 2.66 H new ATOM 0 HE2 MET A 1 7.349 -9.038 -11.883 1.00 2.66 H new ATOM 0 HE3 MET A 1 8.350 -9.903 -10.692 1.00 2.66 H new ATOM 20 N MET A 2 3.117 -7.940 -7.088 1.00 0.43 N ATOM 21 CA MET A 2 2.055 -6.965 -6.894 1.00 0.45 C ATOM 22 C MET A 2 2.627 -5.559 -6.741 1.00 0.43 C ATOM 23 O MET A 2 3.312 -5.260 -5.769 1.00 0.41 O ATOM 24 CB MET A 2 1.212 -7.328 -5.675 1.00 0.47 C ATOM 25 CG MET A 2 -0.114 -7.679 -5.934 1.00 0.72 C ATOM 26 SD MET A 2 -0.981 -8.111 -5.849 1.00 1.57 S ATOM 27 CE MET A 2 -1.916 -8.572 -6.110 1.00 1.73 C ATOM 0 H MET A 2 3.382 -8.459 -6.251 1.00 0.43 H new ATOM 0 HA MET A 2 1.417 -6.981 -7.778 1.00 0.45 H new ATOM 0 HB2 MET A 2 1.693 -8.159 -5.159 1.00 0.47 H new ATOM 0 HB3 MET A 2 1.216 -6.481 -4.989 1.00 0.47 H new ATOM 0 HG2 MET A 2 -0.499 -6.659 -5.937 1.00 0.72 H new ATOM 0 HG3 MET A 2 0.048 -7.962 -6.974 1.00 0.72 H new ATOM 0 HE1 MET A 2 -2.228 -9.241 -5.308 1.00 1.73 H new ATOM 0 HE2 MET A 2 -2.673 -7.802 -6.255 1.00 1.73 H new ATOM 0 HE3 MET A 2 -1.796 -9.141 -7.032 1.00 1.73 H new ATOM 37 N LYS A 3 2.341 -4.697 -7.707 1.00 0.46 N ATOM 38 CA LYS A 3 2.827 -3.324 -7.669 1.00 0.46 C ATOM 39 C LYS A 3 2.110 -2.538 -6.584 1.00 0.45 C ATOM 40 O LYS A 3 0.940 -2.218 -6.706 1.00 0.55 O ATOM 41 CB LYS A 3 2.625 -2.651 -9.022 1.00 0.52 C ATOM 42 CG LYS A 3 3.138 -2.781 -9.862 1.00 1.10 C ATOM 43 CD LYS A 3 3.028 -2.395 -10.931 1.00 1.54 C ATOM 44 CE LYS A 3 3.264 -2.280 -11.961 1.00 1.82 C ATOM 45 NZ LYS A 3 3.086 -1.896 -12.816 1.00 2.22 N ATOM 0 H LYS A 3 1.776 -4.923 -8.525 1.00 0.46 H new ATOM 0 HA LYS A 3 3.893 -3.343 -7.442 1.00 0.46 H new ATOM 0 HB2 LYS A 3 1.590 -2.863 -9.289 1.00 0.52 H new ATOM 0 HB3 LYS A 3 2.689 -1.582 -8.817 1.00 0.52 H new ATOM 0 HG2 LYS A 3 4.149 -2.481 -9.589 1.00 1.10 H new ATOM 0 HG3 LYS A 3 3.149 -3.864 -9.985 1.00 1.10 H new ATOM 0 HD2 LYS A 3 1.991 -2.700 -11.071 1.00 1.54 H new ATOM 0 HD3 LYS A 3 3.017 -1.334 -10.683 1.00 1.54 H new ATOM 0 HE2 LYS A 3 4.307 -1.979 -11.859 1.00 1.82 H new ATOM 0 HE3 LYS A 3 3.263 -3.331 -12.249 1.00 1.82 H new ATOM 0 HZ1 LYS A 3 3.698 -2.340 -13.530 1.00 2.22 H new ATOM 0 HZ2 LYS A 3 2.089 -2.055 -13.067 1.00 2.22 H new ATOM 0 HZ3 LYS A 3 3.276 -0.874 -12.784 1.00 2.22 H new ATOM 59 N ILE A 4 2.819 -2.243 -5.516 1.00 0.37 N ATOM 60 CA ILE A 4 2.252 -1.509 -4.397 1.00 0.36 C ATOM 61 C ILE A 4 2.912 -0.147 -4.230 1.00 0.32 C ATOM 62 O ILE A 4 4.119 -0.046 -4.059 1.00 0.36 O ATOM 63 CB ILE A 4 2.385 -2.316 -3.094 1.00 0.39 C ATOM 64 CG1 ILE A 4 1.546 -3.505 -3.112 1.00 0.64 C ATOM 65 CG2 ILE A 4 2.067 -1.508 -1.947 1.00 0.62 C ATOM 66 CD1 ILE A 4 1.731 -4.643 -2.920 1.00 0.66 C ATOM 0 H ILE A 4 3.798 -2.501 -5.395 1.00 0.37 H new ATOM 0 HA ILE A 4 1.195 -1.352 -4.614 1.00 0.36 H new ATOM 0 HB ILE A 4 3.425 -2.633 -3.021 1.00 0.39 H new ATOM 0 HG12 ILE A 4 0.749 -3.259 -2.410 1.00 0.64 H new ATOM 0 HG13 ILE A 4 1.109 -3.488 -4.110 1.00 0.64 H new ATOM 0 HG21 ILE A 4 2.170 -2.106 -1.041 1.00 0.62 H new ATOM 0 HG22 ILE A 4 2.748 -0.658 -1.900 1.00 0.62 H new ATOM 0 HG23 ILE A 4 1.042 -1.147 -2.029 1.00 0.62 H new ATOM 0 HD11 ILE A 4 0.796 -5.190 -3.045 1.00 0.66 H new ATOM 0 HD12 ILE A 4 2.468 -5.017 -3.631 1.00 0.66 H new ATOM 0 HD13 ILE A 4 2.102 -4.785 -1.905 1.00 0.66 H new ATOM 78 N GLN A 5 2.102 0.895 -4.274 1.00 0.31 N ATOM 79 CA GLN A 5 2.592 2.258 -4.121 1.00 0.31 C ATOM 80 C GLN A 5 2.158 2.836 -2.785 1.00 0.31 C ATOM 81 O GLN A 5 1.015 2.716 -2.408 1.00 0.43 O ATOM 82 CB GLN A 5 2.085 3.139 -5.255 1.00 0.37 C ATOM 83 CG GLN A 5 2.014 2.710 -6.435 1.00 0.74 C ATOM 84 CD GLN A 5 2.007 2.129 -7.331 1.00 0.94 C ATOM 85 OE1 GLN A 5 2.474 2.477 -7.562 1.00 1.82 O ATOM 86 NE2 GLN A 5 1.475 1.237 -7.843 1.00 0.99 N ATOM 0 H GLN A 5 1.094 0.825 -4.415 1.00 0.31 H new ATOM 0 HA GLN A 5 3.681 2.232 -4.155 1.00 0.31 H new ATOM 0 HB2 GLN A 5 1.085 3.470 -4.977 1.00 0.37 H new ATOM 0 HB3 GLN A 5 2.720 4.025 -5.277 1.00 0.37 H new ATOM 0 HG2 GLN A 5 1.019 3.121 -6.605 1.00 0.74 H new ATOM 0 HG3 GLN A 5 2.729 3.436 -6.822 1.00 0.74 H new ATOM 0 HE21 GLN A 5 0.722 0.747 -7.360 1.00 0.99 H new ATOM 0 HE22 GLN A 5 1.759 0.942 -8.777 1.00 0.99 H new ATOM 95 N ILE A 6 3.070 3.464 -2.071 1.00 0.29 N ATOM 96 CA ILE A 6 2.762 4.052 -0.779 1.00 0.32 C ATOM 97 C ILE A 6 2.904 5.564 -0.816 1.00 0.28 C ATOM 98 O ILE A 6 4.003 6.087 -0.904 1.00 0.33 O ATOM 99 CB ILE A 6 3.664 3.490 0.325 1.00 0.43 C ATOM 100 CG1 ILE A 6 4.324 2.636 0.158 1.00 0.96 C ATOM 101 CG2 ILE A 6 3.248 3.152 1.246 1.00 1.10 C ATOM 102 CD1 ILE A 6 4.986 2.077 0.314 1.00 1.44 C ATOM 0 H ILE A 6 4.039 3.582 -2.365 1.00 0.29 H new ATOM 0 HA ILE A 6 1.727 3.793 -0.555 1.00 0.32 H new ATOM 0 HB ILE A 6 4.160 4.460 0.337 1.00 0.43 H new ATOM 0 HG12 ILE A 6 3.539 1.884 0.077 1.00 0.96 H new ATOM 0 HG13 ILE A 6 4.618 2.900 -0.858 1.00 0.96 H new ATOM 0 HG21 ILE A 6 4.046 2.792 1.895 1.00 1.10 H new ATOM 0 HG22 ILE A 6 2.727 3.976 1.734 1.00 1.10 H new ATOM 0 HG23 ILE A 6 2.544 2.342 1.052 1.00 1.10 H new ATOM 0 HD11 ILE A 6 5.017 1.322 -0.471 1.00 1.44 H new ATOM 0 HD12 ILE A 6 5.929 2.624 0.329 1.00 1.44 H new ATOM 0 HD13 ILE A 6 4.833 1.592 1.278 1.00 1.44 H new ATOM 114 N TYR A 7 1.787 6.266 -0.760 1.00 0.27 N ATOM 115 CA TYR A 7 1.797 7.716 -0.801 1.00 0.26 C ATOM 116 C TYR A 7 1.746 8.315 0.594 1.00 0.30 C ATOM 117 O TYR A 7 0.765 8.178 1.307 1.00 0.34 O ATOM 118 CB TYR A 7 0.636 8.221 -1.651 1.00 0.27 C ATOM 119 CG TYR A 7 0.647 7.671 -3.062 1.00 0.26 C ATOM 120 CD1 TYR A 7 0.651 7.257 -3.671 1.00 1.16 C ATOM 121 CD2 TYR A 7 0.662 7.544 -3.777 1.00 1.24 C ATOM 122 CE1 TYR A 7 0.659 6.731 -4.942 1.00 1.16 C ATOM 123 CE2 TYR A 7 0.671 7.016 -5.048 1.00 1.25 C ATOM 124 CZ TYR A 7 0.669 6.612 -5.626 1.00 0.36 C ATOM 125 OH TYR A 7 0.679 6.087 -6.894 1.00 0.44 O ATOM 0 H TYR A 7 0.857 5.853 -0.686 1.00 0.27 H new ATOM 0 HA TYR A 7 2.734 8.036 -1.256 1.00 0.26 H new ATOM 0 HB2 TYR A 7 -0.303 7.950 -1.169 1.00 0.27 H new ATOM 0 HB3 TYR A 7 0.671 9.310 -1.692 1.00 0.27 H new ATOM 0 HD1 TYR A 7 0.649 6.306 -3.158 1.00 1.16 H new ATOM 0 HD2 TYR A 7 0.732 8.579 -4.079 1.00 1.24 H new ATOM 0 HE1 TYR A 7 0.617 5.694 -4.642 1.00 1.16 H new ATOM 0 HE2 TYR A 7 0.718 7.962 -5.567 1.00 1.25 H new ATOM 0 HH TYR A 7 0.711 6.815 -7.549 1.00 0.44 H new ATOM 135 N GLY A 8 2.822 8.978 0.975 1.00 0.37 N ATOM 136 CA GLY A 8 2.896 9.592 2.283 1.00 0.42 C ATOM 137 C GLY A 8 4.260 9.761 2.775 1.00 0.44 C ATOM 138 O GLY A 8 4.808 10.723 2.652 1.00 0.71 O ATOM 0 H GLY A 8 3.653 9.104 0.398 1.00 0.37 H new ATOM 0 HA2 GLY A 8 2.409 10.567 2.245 1.00 0.42 H new ATOM 0 HA3 GLY A 8 2.336 8.983 2.993 1.00 0.42 H new ATOM 142 N THR A 9 4.810 8.822 3.331 1.00 0.64 N ATOM 143 CA THR A 9 6.120 8.865 3.844 1.00 0.89 C ATOM 144 C THR A 9 6.260 9.863 4.879 1.00 1.05 C ATOM 145 O THR A 9 6.443 10.285 5.028 1.00 1.97 O ATOM 146 CB THR A 9 7.107 9.096 2.803 1.00 1.02 C ATOM 147 OG1 THR A 9 6.943 8.927 2.002 1.00 1.35 O ATOM 148 CG2 THR A 9 7.976 8.726 2.715 1.00 1.61 C ATOM 0 H THR A 9 4.354 7.920 3.468 1.00 0.64 H new ATOM 0 HA THR A 9 6.305 7.884 4.281 1.00 0.89 H new ATOM 0 HB THR A 9 7.054 10.090 3.247 1.00 1.02 H new ATOM 0 HG1 THR A 9 6.864 9.765 1.500 1.00 1.35 H new ATOM 0 HG21 THR A 9 8.448 9.116 1.813 1.00 1.61 H new ATOM 0 HG22 THR A 9 8.576 8.996 3.584 1.00 1.61 H new ATOM 0 HG23 THR A 9 7.904 7.641 2.646 1.00 1.61 H new ATOM 156 N GLY A 10 6.174 10.234 5.591 1.00 0.88 N ATOM 157 CA GLY A 10 6.294 11.177 6.602 1.00 1.05 C ATOM 158 C GLY A 10 5.096 11.393 7.395 1.00 0.96 C ATOM 159 O GLY A 10 4.993 11.122 8.275 1.00 1.42 O ATOM 0 HA2 GLY A 10 7.100 10.871 7.268 1.00 1.05 H new ATOM 0 HA3 GLY A 10 6.591 12.127 6.157 1.00 1.05 H new ATOM 163 N CYS A 11 4.188 11.884 7.083 1.00 0.83 N ATOM 164 CA CYS A 11 2.991 12.138 7.772 1.00 0.87 C ATOM 165 C CYS A 11 1.999 11.022 7.597 1.00 0.78 C ATOM 166 O CYS A 11 1.182 10.852 8.268 1.00 1.18 O ATOM 167 CB CYS A 11 2.393 13.397 7.306 1.00 1.11 C ATOM 168 SG CYS A 11 2.440 14.428 7.795 1.00 1.88 S ATOM 0 HA CYS A 11 3.237 12.214 8.831 1.00 0.87 H new ATOM 0 HB2 CYS A 11 2.789 13.543 6.301 1.00 1.11 H new ATOM 0 HB3 CYS A 11 1.329 13.183 7.201 1.00 1.11 H new ATOM 0 HG CYS A 11 1.784 15.283 7.068 1.00 1.88 H new ATOM 174 N ALA A 12 2.076 10.263 6.692 1.00 0.49 N ATOM 175 CA ALA A 12 1.185 9.164 6.431 1.00 0.40 C ATOM 176 C ALA A 12 1.661 7.895 7.116 1.00 0.36 C ATOM 177 O ALA A 12 2.810 7.508 6.999 1.00 0.37 O ATOM 178 CB ALA A 12 1.048 8.952 4.947 1.00 0.45 C ATOM 0 H ALA A 12 2.817 10.335 5.995 1.00 0.49 H new ATOM 0 HA ALA A 12 0.206 9.411 6.842 1.00 0.40 H new ATOM 0 HB1 ALA A 12 0.372 8.118 4.760 1.00 0.45 H new ATOM 0 HB2 ALA A 12 0.647 9.855 4.486 1.00 0.45 H new ATOM 0 HB3 ALA A 12 2.026 8.729 4.519 1.00 0.45 H new ATOM 184 N ASN A 13 0.767 7.251 7.833 1.00 0.41 N ATOM 185 CA ASN A 13 1.086 6.022 8.543 1.00 0.44 C ATOM 186 C ASN A 13 1.167 4.822 7.614 1.00 0.44 C ATOM 187 O ASN A 13 1.099 3.681 8.055 1.00 0.50 O ATOM 188 CB ASN A 13 0.057 5.763 9.616 1.00 0.60 C ATOM 189 CG ASN A 13 0.166 6.370 10.684 1.00 1.04 C ATOM 190 OD1 ASN A 13 0.517 6.713 10.943 1.00 1.60 O ATOM 191 ND2 ASN A 13 -0.135 6.506 11.309 1.00 1.66 N ATOM 0 H ASN A 13 -0.199 7.559 7.943 1.00 0.41 H new ATOM 0 HA ASN A 13 2.069 6.157 8.993 1.00 0.44 H new ATOM 0 HB2 ASN A 13 -0.924 5.994 9.200 1.00 0.60 H new ATOM 0 HB3 ASN A 13 0.067 4.696 9.837 1.00 0.60 H new ATOM 0 HD21 ASN A 13 0.329 7.124 11.975 1.00 1.66 H new ATOM 0 HD22 ASN A 13 -1.033 6.085 11.545 1.00 1.66 H new ATOM 198 N CYS A 14 1.310 5.079 6.333 1.00 0.45 N ATOM 199 CA CYS A 14 1.396 4.007 5.358 1.00 0.55 C ATOM 200 C CYS A 14 2.498 3.019 5.697 1.00 0.51 C ATOM 201 O CYS A 14 2.474 1.869 5.274 1.00 0.57 O ATOM 202 CB CYS A 14 1.625 4.580 3.980 1.00 0.67 C ATOM 203 SG CYS A 14 2.776 5.894 3.900 1.00 0.70 S ATOM 0 H CYS A 14 1.369 6.018 5.939 1.00 0.45 H new ATOM 0 HA CYS A 14 0.450 3.467 5.379 1.00 0.55 H new ATOM 0 HB2 CYS A 14 1.966 3.779 3.323 1.00 0.67 H new ATOM 0 HB3 CYS A 14 0.671 4.930 3.587 1.00 0.67 H new ATOM 0 HG CYS A 14 2.888 6.298 2.670 1.00 0.70 H new ATOM 209 N GLN A 15 3.462 3.478 6.458 1.00 0.46 N ATOM 210 CA GLN A 15 4.577 2.652 6.858 1.00 0.51 C ATOM 211 C GLN A 15 4.115 1.348 7.495 1.00 0.48 C ATOM 212 O GLN A 15 4.756 0.309 7.343 1.00 0.50 O ATOM 213 CB GLN A 15 5.448 3.460 7.806 1.00 0.60 C ATOM 214 CG GLN A 15 5.469 2.960 9.218 1.00 0.67 C ATOM 215 CD GLN A 15 5.758 3.738 10.171 1.00 0.98 C ATOM 216 OE1 GLN A 15 6.399 3.290 10.721 1.00 1.56 O ATOM 217 NE2 GLN A 15 5.285 4.911 10.371 1.00 0.91 N ATOM 0 H GLN A 15 3.496 4.432 6.817 1.00 0.46 H new ATOM 0 HA GLN A 15 5.155 2.368 5.978 1.00 0.51 H new ATOM 0 HB2 GLN A 15 6.468 3.468 7.423 1.00 0.60 H new ATOM 0 HB3 GLN A 15 5.100 4.493 7.806 1.00 0.60 H new ATOM 0 HG2 GLN A 15 4.482 2.548 9.428 1.00 0.67 H new ATOM 0 HG3 GLN A 15 6.175 2.131 9.255 1.00 0.67 H new ATOM 0 HE21 GLN A 15 4.602 5.303 9.723 1.00 0.91 H new ATOM 0 HE22 GLN A 15 5.592 5.454 11.178 1.00 0.91 H new ATOM 226 N MET A 16 3.000 1.409 8.205 1.00 0.48 N ATOM 227 CA MET A 16 2.459 0.233 8.861 1.00 0.51 C ATOM 228 C MET A 16 2.041 -0.812 7.841 1.00 0.47 C ATOM 229 O MET A 16 2.537 -1.931 7.841 1.00 0.50 O ATOM 230 CB MET A 16 1.272 0.619 9.737 1.00 0.57 C ATOM 231 CG MET A 16 1.285 0.381 10.932 1.00 0.92 C ATOM 232 SD MET A 16 0.742 0.547 11.864 1.00 1.58 S ATOM 233 CE MET A 16 0.515 0.303 12.571 1.00 2.28 C ATOM 0 H MET A 16 2.454 2.260 8.341 1.00 0.48 H new ATOM 0 HA MET A 16 3.239 -0.197 9.490 1.00 0.51 H new ATOM 0 HB2 MET A 16 1.124 1.693 9.624 1.00 0.57 H new ATOM 0 HB3 MET A 16 0.391 0.130 9.320 1.00 0.57 H new ATOM 0 HG2 MET A 16 1.345 -0.707 10.922 1.00 0.92 H new ATOM 0 HG3 MET A 16 2.273 0.753 11.203 1.00 0.92 H new ATOM 0 HE1 MET A 16 0.525 1.142 13.266 1.00 2.28 H new ATOM 0 HE2 MET A 16 -0.494 -0.104 12.509 1.00 2.28 H new ATOM 0 HE3 MET A 16 1.197 -0.470 12.925 1.00 2.28 H new ATOM 243 N LEU A 17 1.132 -0.439 6.967 1.00 0.47 N ATOM 244 CA LEU A 17 0.657 -1.345 5.938 1.00 0.51 C ATOM 245 C LEU A 17 1.774 -1.708 4.979 1.00 0.44 C ATOM 246 O LEU A 17 1.755 -2.759 4.353 1.00 0.46 O ATOM 247 CB LEU A 17 -0.495 -0.715 5.178 1.00 0.61 C ATOM 248 CG LEU A 17 -1.257 -1.609 4.287 1.00 0.75 C ATOM 249 CD1 LEU A 17 -1.487 -2.019 3.805 1.00 1.32 C ATOM 250 CD2 LEU A 17 -1.508 -1.945 4.143 1.00 1.75 C ATOM 0 H LEU A 17 0.705 0.487 6.946 1.00 0.47 H new ATOM 0 HA LEU A 17 0.309 -2.258 6.422 1.00 0.51 H new ATOM 0 HB2 LEU A 17 -1.186 -0.283 5.901 1.00 0.61 H new ATOM 0 HB3 LEU A 17 -0.102 0.108 4.582 1.00 0.61 H new ATOM 0 HG LEU A 17 -0.813 -0.746 4.782 1.00 0.75 H new ATOM 0 HD11 LEU A 17 -2.519 -2.293 4.022 1.00 1.32 H new ATOM 0 HD12 LEU A 17 -1.442 -1.510 2.842 1.00 1.32 H new ATOM 0 HD13 LEU A 17 -0.873 -2.919 3.769 1.00 1.32 H new ATOM 0 HD21 LEU A 17 -1.650 -1.858 3.066 1.00 1.75 H new ATOM 0 HD22 LEU A 17 -1.015 -2.890 4.369 1.00 1.75 H new ATOM 0 HD23 LEU A 17 -2.478 -1.914 4.640 1.00 1.75 H new ATOM 262 N GLU A 18 2.747 -0.830 4.869 1.00 0.41 N ATOM 263 CA GLU A 18 3.880 -1.077 3.975 1.00 0.43 C ATOM 264 C GLU A 18 4.577 -2.376 4.341 1.00 0.38 C ATOM 265 O GLU A 18 4.841 -3.213 3.487 1.00 0.38 O ATOM 266 CB GLU A 18 4.895 0.073 3.992 1.00 0.50 C ATOM 267 CG GLU A 18 6.066 -0.160 3.062 1.00 0.56 C ATOM 268 CD GLU A 18 7.128 0.071 3.366 1.00 1.04 C ATOM 269 OE1 GLU A 18 7.506 0.214 3.647 1.00 1.78 O ATOM 270 OE2 GLU A 18 7.583 0.108 3.324 1.00 1.62 O ATOM 0 H GLU A 18 2.786 0.054 5.377 1.00 0.41 H new ATOM 0 HA GLU A 18 3.474 -1.151 2.966 1.00 0.43 H new ATOM 0 HB2 GLU A 18 4.393 0.998 3.710 1.00 0.50 H new ATOM 0 HB3 GLU A 18 5.266 0.208 5.008 1.00 0.50 H new ATOM 0 HG2 GLU A 18 6.041 -1.214 2.784 1.00 0.56 H new ATOM 0 HG3 GLU A 18 5.867 0.413 2.157 1.00 0.56 H new ATOM 277 N LYS A 19 4.872 -2.538 5.616 1.00 0.42 N ATOM 278 CA LYS A 19 5.538 -3.737 6.094 1.00 0.45 C ATOM 279 C LYS A 19 4.626 -4.949 6.003 1.00 0.42 C ATOM 280 O LYS A 19 5.019 -6.003 5.512 1.00 0.43 O ATOM 281 CB LYS A 19 5.998 -3.539 7.531 1.00 0.55 C ATOM 282 CG LYS A 19 7.089 -4.300 7.928 1.00 0.76 C ATOM 283 CD LYS A 19 7.324 -4.551 9.030 1.00 1.12 C ATOM 284 CE LYS A 19 7.837 -4.772 9.666 1.00 1.69 C ATOM 285 NZ LYS A 19 8.074 -4.913 10.515 1.00 2.32 N ATOM 0 H LYS A 19 4.661 -1.854 6.342 1.00 0.42 H new ATOM 0 HA LYS A 19 6.404 -3.918 5.458 1.00 0.45 H new ATOM 0 HB2 LYS A 19 6.243 -2.486 7.672 1.00 0.55 H new ATOM 0 HB3 LYS A 19 5.162 -3.763 8.194 1.00 0.55 H new ATOM 0 HG2 LYS A 19 7.003 -5.254 7.408 1.00 0.76 H new ATOM 0 HG3 LYS A 19 7.973 -3.799 7.532 1.00 0.76 H new ATOM 0 HD2 LYS A 19 6.919 -3.643 9.477 1.00 1.12 H new ATOM 0 HD3 LYS A 19 6.577 -5.334 9.165 1.00 1.12 H new ATOM 0 HE2 LYS A 19 8.094 -5.763 9.291 1.00 1.69 H new ATOM 0 HE3 LYS A 19 8.662 -4.109 9.407 1.00 1.69 H new ATOM 0 HZ1 LYS A 19 8.803 -5.654 10.554 1.00 2.32 H new ATOM 0 HZ2 LYS A 19 8.453 -4.033 10.920 1.00 2.32 H new ATOM 0 HZ3 LYS A 19 7.243 -5.216 11.062 1.00 2.32 H new ATOM 299 N ASN A 20 3.406 -4.794 6.480 1.00 0.45 N ATOM 300 CA ASN A 20 2.441 -5.883 6.453 1.00 0.50 C ATOM 301 C ASN A 20 2.187 -6.356 5.032 1.00 0.44 C ATOM 302 O ASN A 20 2.129 -7.550 4.765 1.00 0.50 O ATOM 303 CB ASN A 20 1.131 -5.457 7.099 1.00 0.60 C ATOM 304 CG ASN A 20 1.072 -4.575 7.894 1.00 1.02 C ATOM 305 OD1 ASN A 20 1.693 -4.407 7.969 1.00 1.92 O ATOM 306 ND2 ASN A 20 0.318 -4.010 8.496 1.00 1.02 N ATOM 0 H ASN A 20 3.057 -3.928 6.891 1.00 0.45 H new ATOM 0 HA ASN A 20 2.863 -6.711 7.022 1.00 0.50 H new ATOM 0 HB2 ASN A 20 0.453 -5.192 6.287 1.00 0.60 H new ATOM 0 HB3 ASN A 20 0.718 -6.342 7.583 1.00 0.60 H new ATOM 0 HD21 ASN A 20 0.621 -3.268 9.127 1.00 1.02 H new ATOM 0 HD22 ASN A 20 -0.673 -4.236 8.414 1.00 1.02 H new ATOM 313 N ALA A 21 2.032 -5.412 4.125 1.00 0.36 N ATOM 314 CA ALA A 21 1.781 -5.727 2.731 1.00 0.35 C ATOM 315 C ALA A 21 2.899 -6.570 2.134 1.00 0.32 C ATOM 316 O ALA A 21 2.648 -7.517 1.399 1.00 0.35 O ATOM 317 CB ALA A 21 1.602 -4.451 1.937 1.00 0.36 C ATOM 0 H ALA A 21 2.076 -4.414 4.330 1.00 0.36 H new ATOM 0 HA ALA A 21 0.865 -6.315 2.680 1.00 0.35 H new ATOM 0 HB1 ALA A 21 1.414 -4.696 0.892 1.00 0.36 H new ATOM 0 HB2 ALA A 21 0.757 -3.890 2.336 1.00 0.36 H new ATOM 0 HB3 ALA A 21 2.506 -3.847 2.011 1.00 0.36 H new ATOM 323 N ARG A 22 4.134 -6.219 2.444 1.00 0.32 N ATOM 324 CA ARG A 22 5.283 -6.946 1.926 1.00 0.35 C ATOM 325 C ARG A 22 5.227 -8.417 2.304 1.00 0.36 C ATOM 326 O ARG A 22 5.466 -9.290 1.473 1.00 0.36 O ATOM 327 CB ARG A 22 6.576 -6.322 2.446 1.00 0.41 C ATOM 328 CG ARG A 22 7.361 -5.612 1.420 1.00 0.60 C ATOM 329 CD ARG A 22 8.617 -5.543 1.706 1.00 1.04 C ATOM 330 NE ARG A 22 9.451 -5.449 1.711 1.00 1.36 N ATOM 331 CZ ARG A 22 10.255 -5.200 1.669 1.00 1.93 C ATOM 332 NH1 ARG A 22 10.337 -5.019 1.619 1.00 2.35 N ATOM 333 NH2 ARG A 22 10.979 -5.132 1.677 1.00 2.70 N ATOM 0 H ARG A 22 4.369 -5.435 3.052 1.00 0.32 H new ATOM 0 HA ARG A 22 5.260 -6.877 0.838 1.00 0.35 H new ATOM 0 HB2 ARG A 22 6.333 -5.625 3.248 1.00 0.41 H new ATOM 0 HB3 ARG A 22 7.195 -7.106 2.882 1.00 0.41 H new ATOM 0 HG2 ARG A 22 7.239 -6.118 0.462 1.00 0.60 H new ATOM 0 HG3 ARG A 22 6.965 -4.604 1.300 1.00 0.60 H new ATOM 0 HD2 ARG A 22 8.463 -4.869 2.549 1.00 1.04 H new ATOM 0 HD3 ARG A 22 8.655 -6.555 2.110 1.00 1.04 H new ATOM 0 HE ARG A 22 9.657 -6.405 2.002 1.00 1.36 H new ATOM 0 HH11 ARG A 22 9.732 -4.238 1.366 1.00 2.35 H new ATOM 0 HH12 ARG A 22 11.350 -4.899 1.623 1.00 2.35 H new ATOM 0 HH21 ARG A 22 11.563 -5.928 1.933 1.00 2.70 H new ATOM 0 HH22 ARG A 22 11.410 -4.241 1.432 1.00 2.70 H new ATOM 347 N GLU A 23 4.917 -8.690 3.560 1.00 0.39 N ATOM 348 CA GLU A 23 4.842 -10.062 4.035 1.00 0.44 C ATOM 349 C GLU A 23 3.615 -10.772 3.482 1.00 0.43 C ATOM 350 O GLU A 23 3.715 -11.880 2.966 1.00 0.45 O ATOM 351 CB GLU A 23 4.829 -10.097 5.563 1.00 0.51 C ATOM 352 CG GLU A 23 4.116 -10.216 6.181 1.00 1.29 C ATOM 353 CD GLU A 23 4.080 -10.481 7.252 1.00 1.66 C ATOM 354 OE1 GLU A 23 4.158 -10.521 7.647 1.00 2.17 O ATOM 355 OE2 GLU A 23 3.974 -10.649 7.697 1.00 2.18 O ATOM 0 H GLU A 23 4.714 -7.983 4.267 1.00 0.39 H new ATOM 0 HA GLU A 23 5.727 -10.588 3.676 1.00 0.44 H new ATOM 0 HB2 GLU A 23 5.539 -10.883 5.819 1.00 0.51 H new ATOM 0 HB3 GLU A 23 5.282 -9.150 5.856 1.00 0.51 H new ATOM 0 HG2 GLU A 23 3.572 -9.273 6.131 1.00 1.29 H new ATOM 0 HG3 GLU A 23 3.489 -10.971 5.708 1.00 1.29 H new ATOM 362 N ALA A 24 2.459 -10.135 3.597 1.00 0.42 N ATOM 363 CA ALA A 24 1.216 -10.720 3.114 1.00 0.45 C ATOM 364 C ALA A 24 1.242 -10.944 1.611 1.00 0.44 C ATOM 365 O ALA A 24 0.930 -12.032 1.136 1.00 0.48 O ATOM 366 CB ALA A 24 0.038 -9.843 3.499 1.00 0.47 C ATOM 0 H ALA A 24 2.355 -9.213 4.021 1.00 0.42 H new ATOM 0 HA ALA A 24 1.105 -11.696 3.587 1.00 0.45 H new ATOM 0 HB1 ALA A 24 -0.885 -10.292 3.132 1.00 0.47 H new ATOM 0 HB2 ALA A 24 -0.009 -9.753 4.584 1.00 0.47 H new ATOM 0 HB3 ALA A 24 0.161 -8.854 3.058 1.00 0.47 H new ATOM 372 N VAL A 25 1.608 -9.916 0.861 1.00 0.40 N ATOM 373 CA VAL A 25 1.659 -10.024 -0.589 1.00 0.42 C ATOM 374 C VAL A 25 2.522 -11.215 -1.014 1.00 0.42 C ATOM 375 O VAL A 25 2.065 -12.090 -1.743 1.00 0.47 O ATOM 376 CB VAL A 25 2.174 -8.709 -1.239 1.00 0.42 C ATOM 377 CG1 VAL A 25 3.670 -8.546 -1.082 1.00 0.38 C ATOM 378 CG2 VAL A 25 1.784 -8.657 -2.697 1.00 0.52 C ATOM 0 H VAL A 25 1.873 -9.002 1.229 1.00 0.40 H new ATOM 0 HA VAL A 25 0.642 -10.192 -0.945 1.00 0.42 H new ATOM 0 HB VAL A 25 1.702 -7.878 -0.715 1.00 0.42 H new ATOM 0 HG11 VAL A 25 3.986 -7.614 -1.551 1.00 0.38 H new ATOM 0 HG12 VAL A 25 3.924 -8.523 -0.022 1.00 0.38 H new ATOM 0 HG13 VAL A 25 4.179 -9.383 -1.560 1.00 0.38 H new ATOM 0 HG21 VAL A 25 2.151 -7.731 -3.139 1.00 0.52 H new ATOM 0 HG22 VAL A 25 2.221 -9.507 -3.221 1.00 0.52 H new ATOM 0 HG23 VAL A 25 0.698 -8.695 -2.785 1.00 0.52 H new ATOM 388 N LYS A 26 3.756 -11.252 -0.540 1.00 0.38 N ATOM 389 CA LYS A 26 4.667 -12.344 -0.856 1.00 0.40 C ATOM 390 C LYS A 26 4.197 -13.649 -0.221 1.00 0.45 C ATOM 391 O LYS A 26 4.161 -14.688 -0.875 1.00 0.49 O ATOM 392 CB LYS A 26 6.076 -12.012 -0.370 1.00 0.40 C ATOM 393 CG LYS A 26 6.918 -11.480 -1.285 1.00 0.73 C ATOM 394 CD LYS A 26 8.091 -11.469 -0.805 1.00 1.29 C ATOM 395 CE LYS A 26 8.861 -11.433 -0.728 1.00 1.68 C ATOM 396 NZ LYS A 26 9.588 -11.534 -0.694 1.00 2.35 N ATOM 0 H LYS A 26 4.153 -10.536 0.068 1.00 0.38 H new ATOM 0 HA LYS A 26 4.679 -12.471 -1.939 1.00 0.40 H new ATOM 0 HB2 LYS A 26 5.994 -11.316 0.465 1.00 0.40 H new ATOM 0 HB3 LYS A 26 6.527 -12.925 0.019 1.00 0.40 H new ATOM 0 HG2 LYS A 26 6.893 -12.064 -2.205 1.00 0.73 H new ATOM 0 HG3 LYS A 26 6.606 -10.468 -1.541 1.00 0.73 H new ATOM 0 HD2 LYS A 26 7.887 -10.685 -0.076 1.00 1.29 H new ATOM 0 HD3 LYS A 26 7.989 -12.422 -0.286 1.00 1.29 H new ATOM 0 HE2 LYS A 26 8.949 -10.570 -1.388 1.00 1.68 H new ATOM 0 HE3 LYS A 26 8.804 -11.051 0.291 1.00 1.68 H new ATOM 0 HZ1 LYS A 26 10.071 -10.618 -0.789 1.00 2.35 H new ATOM 0 HZ2 LYS A 26 9.837 -11.963 0.220 1.00 2.35 H new ATOM 0 HZ3 LYS A 26 9.887 -12.165 -1.465 1.00 2.35 H new ATOM 410 N GLU A 27 3.843 -13.591 1.060 1.00 0.47 N ATOM 411 CA GLU A 27 3.382 -14.772 1.782 1.00 0.54 C ATOM 412 C GLU A 27 2.179 -15.402 1.101 1.00 0.58 C ATOM 413 O GLU A 27 2.108 -16.618 0.948 1.00 0.63 O ATOM 414 CB GLU A 27 3.031 -14.416 3.224 1.00 0.57 C ATOM 415 CG GLU A 27 2.595 -15.606 4.050 1.00 0.67 C ATOM 416 CD GLU A 27 2.387 -15.658 4.967 1.00 1.15 C ATOM 417 OE1 GLU A 27 2.302 -15.478 5.410 1.00 1.79 O ATOM 418 OE2 GLU A 27 2.311 -15.877 5.242 1.00 1.95 O ATOM 0 H GLU A 27 3.867 -12.738 1.619 1.00 0.47 H new ATOM 0 HA GLU A 27 4.196 -15.497 1.780 1.00 0.54 H new ATOM 0 HB2 GLU A 27 3.897 -13.953 3.697 1.00 0.57 H new ATOM 0 HB3 GLU A 27 2.234 -13.673 3.223 1.00 0.57 H new ATOM 0 HG2 GLU A 27 1.706 -15.982 3.544 1.00 0.67 H new ATOM 0 HG3 GLU A 27 3.382 -16.346 3.903 1.00 0.67 H new ATOM 425 N LEU A 28 1.236 -14.569 0.683 1.00 0.57 N ATOM 426 CA LEU A 28 0.041 -15.052 0.008 1.00 0.64 C ATOM 427 C LEU A 28 0.406 -15.955 -1.164 1.00 0.63 C ATOM 428 O LEU A 28 -0.404 -16.756 -1.621 1.00 0.70 O ATOM 429 CB LEU A 28 -0.801 -13.878 -0.478 1.00 0.66 C ATOM 430 CG LEU A 28 -1.984 -13.781 -0.213 1.00 1.14 C ATOM 431 CD1 LEU A 28 -2.711 -14.308 -0.335 1.00 1.69 C ATOM 432 CD2 LEU A 28 -2.285 -13.614 0.382 1.00 2.00 C ATOM 0 H LEU A 28 1.276 -13.556 0.800 1.00 0.57 H new ATOM 0 HA LEU A 28 -0.541 -15.635 0.722 1.00 0.64 H new ATOM 0 HB2 LEU A 28 -0.321 -12.972 -0.108 1.00 0.66 H new ATOM 0 HB3 LEU A 28 -0.720 -13.861 -1.565 1.00 0.66 H new ATOM 0 HG LEU A 28 -1.576 -13.142 -0.996 1.00 1.14 H new ATOM 0 HD11 LEU A 28 -3.593 -13.811 0.069 1.00 1.69 H new ATOM 0 HD12 LEU A 28 -2.853 -14.491 -1.400 1.00 1.69 H new ATOM 0 HD13 LEU A 28 -2.563 -15.258 0.179 1.00 1.69 H new ATOM 0 HD21 LEU A 28 -3.368 -13.624 0.257 1.00 2.00 H new ATOM 0 HD22 LEU A 28 -2.001 -14.335 1.148 1.00 2.00 H new ATOM 0 HD23 LEU A 28 -1.964 -12.617 0.685 1.00 2.00 H new ATOM 444 N GLY A 29 1.632 -15.819 -1.644 1.00 0.57 N ATOM 445 CA GLY A 29 2.087 -16.628 -2.754 1.00 0.59 C ATOM 446 C GLY A 29 2.354 -15.810 -3.992 1.00 0.57 C ATOM 447 O GLY A 29 2.108 -16.258 -5.100 1.00 0.65 O ATOM 0 H GLY A 29 2.322 -15.160 -1.283 1.00 0.57 H new ATOM 0 HA2 GLY A 29 2.997 -17.155 -2.467 1.00 0.59 H new ATOM 0 HA3 GLY A 29 1.337 -17.387 -2.978 1.00 0.59 H new ATOM 451 N ILE A 30 2.864 -14.610 -3.805 1.00 0.50 N ATOM 452 CA ILE A 30 3.169 -13.727 -4.917 1.00 0.51 C ATOM 453 C ILE A 30 3.958 -12.510 -4.460 1.00 0.45 C ATOM 454 O ILE A 30 3.473 -11.696 -3.681 1.00 0.43 O ATOM 455 CB ILE A 30 1.898 -13.254 -5.634 1.00 0.59 C ATOM 456 CG1 ILE A 30 1.200 -12.921 -5.327 1.00 1.31 C ATOM 457 CG2 ILE A 30 1.349 -13.655 -6.154 1.00 1.23 C ATOM 458 CD1 ILE A 30 0.257 -12.528 -5.835 1.00 1.76 C ATOM 0 H ILE A 30 3.078 -14.220 -2.887 1.00 0.50 H new ATOM 0 HA ILE A 30 3.773 -14.309 -5.613 1.00 0.51 H new ATOM 0 HB ILE A 30 2.801 -12.732 -5.951 1.00 0.59 H new ATOM 0 HG12 ILE A 30 0.831 -13.675 -4.631 1.00 1.31 H new ATOM 0 HG13 ILE A 30 1.549 -12.079 -4.729 1.00 1.31 H new ATOM 0 HG21 ILE A 30 0.564 -12.963 -6.458 1.00 1.23 H new ATOM 0 HG22 ILE A 30 1.879 -14.013 -7.037 1.00 1.23 H new ATOM 0 HG23 ILE A 30 0.904 -14.501 -5.630 1.00 1.23 H new ATOM 0 HD11 ILE A 30 -0.440 -12.168 -5.079 1.00 1.76 H new ATOM 0 HD12 ILE A 30 0.519 -11.710 -6.506 1.00 1.76 H new ATOM 0 HD13 ILE A 30 -0.210 -13.330 -6.406 1.00 1.76 H new ATOM 470 N ASP A 31 5.173 -12.387 -4.963 1.00 0.43 N ATOM 471 CA ASP A 31 6.033 -11.269 -4.626 1.00 0.39 C ATOM 472 C ASP A 31 5.404 -9.966 -5.085 1.00 0.39 C ATOM 473 O ASP A 31 4.487 -9.971 -5.893 1.00 0.44 O ATOM 474 CB ASP A 31 7.407 -11.444 -5.267 1.00 0.42 C ATOM 475 CG ASP A 31 8.392 -11.296 -4.548 1.00 0.84 C ATOM 476 OD1 ASP A 31 8.679 -11.341 -4.194 1.00 1.62 O ATOM 477 OD2 ASP A 31 8.876 -11.135 -4.338 1.00 1.52 O ATOM 0 H ASP A 31 5.589 -13.055 -5.612 1.00 0.43 H new ATOM 0 HA ASP A 31 6.155 -11.238 -3.543 1.00 0.39 H new ATOM 0 HB2 ASP A 31 7.452 -12.444 -5.697 1.00 0.42 H new ATOM 0 HB3 ASP A 31 7.485 -10.738 -6.093 1.00 0.42 H new ATOM 482 N ALA A 32 5.893 -8.857 -4.564 1.00 0.35 N ATOM 483 CA ALA A 32 5.381 -7.557 -4.922 1.00 0.37 C ATOM 484 C ALA A 32 6.485 -6.536 -4.828 1.00 0.39 C ATOM 485 O ALA A 32 7.494 -6.776 -4.249 1.00 0.60 O ATOM 486 CB ALA A 32 4.222 -7.181 -4.024 1.00 0.36 C ATOM 0 H ALA A 32 6.653 -8.836 -3.884 1.00 0.35 H new ATOM 0 HA ALA A 32 5.015 -7.585 -5.948 1.00 0.37 H new ATOM 0 HB1 ALA A 32 3.847 -6.197 -4.307 1.00 0.36 H new ATOM 0 HB2 ALA A 32 3.426 -7.918 -4.130 1.00 0.36 H new ATOM 0 HB3 ALA A 32 4.558 -7.157 -2.987 1.00 0.36 H new ATOM 492 N GLU A 33 6.300 -5.399 -5.388 1.00 0.35 N ATOM 493 CA GLU A 33 7.299 -4.356 -5.349 1.00 0.36 C ATOM 494 C GLU A 33 6.724 -3.105 -4.715 1.00 0.34 C ATOM 495 O GLU A 33 5.822 -2.480 -5.262 1.00 0.37 O ATOM 496 CB GLU A 33 7.818 -4.046 -6.746 1.00 0.44 C ATOM 497 CG GLU A 33 7.664 -4.847 -7.636 1.00 0.98 C ATOM 498 CD GLU A 33 7.953 -5.046 -8.517 1.00 1.50 C ATOM 499 OE1 GLU A 33 8.053 -4.902 -8.791 1.00 2.18 O ATOM 500 OE2 GLU A 33 8.078 -5.346 -8.931 1.00 2.04 O ATOM 0 H GLU A 33 5.451 -5.147 -5.894 1.00 0.35 H new ATOM 0 HA GLU A 33 8.136 -4.708 -4.745 1.00 0.36 H new ATOM 0 HB2 GLU A 33 7.354 -3.113 -7.065 1.00 0.44 H new ATOM 0 HB3 GLU A 33 8.888 -3.857 -6.660 1.00 0.44 H new ATOM 0 HG2 GLU A 33 7.890 -5.781 -7.122 1.00 0.98 H new ATOM 0 HG3 GLU A 33 6.583 -4.810 -7.770 1.00 0.98 H new ATOM 507 N PHE A 34 7.234 -2.754 -3.551 1.00 0.34 N ATOM 508 CA PHE A 34 6.749 -1.589 -2.839 1.00 0.35 C ATOM 509 C PHE A 34 7.644 -0.386 -3.052 1.00 0.38 C ATOM 510 O PHE A 34 8.761 -0.323 -2.548 1.00 0.42 O ATOM 511 CB PHE A 34 6.619 -1.903 -1.358 1.00 0.38 C ATOM 512 CG PHE A 34 5.728 -3.074 -1.089 1.00 0.37 C ATOM 513 CD1 PHE A 34 5.488 -3.793 -1.050 1.00 1.13 C ATOM 514 CD2 PHE A 34 5.124 -3.454 -0.891 1.00 1.26 C ATOM 515 CE1 PHE A 34 4.665 -4.866 -0.818 1.00 1.13 C ATOM 516 CE2 PHE A 34 4.300 -4.527 -0.657 1.00 1.28 C ATOM 517 CZ PHE A 34 4.069 -5.233 -0.621 1.00 0.45 C ATOM 0 H PHE A 34 7.984 -3.259 -3.079 1.00 0.34 H new ATOM 0 HA PHE A 34 5.767 -1.336 -3.239 1.00 0.35 H new ATOM 0 HB2 PHE A 34 7.608 -2.103 -0.946 1.00 0.38 H new ATOM 0 HB3 PHE A 34 6.228 -1.028 -0.839 1.00 0.38 H new ATOM 0 HD1 PHE A 34 6.366 -4.305 -1.415 1.00 1.13 H new ATOM 0 HD2 PHE A 34 4.473 -2.643 -0.598 1.00 1.26 H new ATOM 0 HE1 PHE A 34 5.310 -5.679 -1.117 1.00 1.13 H new ATOM 0 HE2 PHE A 34 3.422 -4.018 -0.287 1.00 1.28 H new ATOM 0 HZ PHE A 34 3.416 -6.073 -0.436 1.00 0.45 H new ATOM 527 N GLU A 35 7.127 0.574 -3.799 1.00 0.38 N ATOM 528 CA GLU A 35 7.850 1.799 -4.087 1.00 0.42 C ATOM 529 C GLU A 35 7.132 2.989 -3.478 1.00 0.36 C ATOM 530 O GLU A 35 5.966 3.230 -3.755 1.00 0.38 O ATOM 531 CB GLU A 35 7.992 1.992 -5.589 1.00 0.49 C ATOM 532 CG GLU A 35 8.779 2.003 -6.149 1.00 1.21 C ATOM 533 CD GLU A 35 9.268 2.001 -6.893 1.00 1.68 C ATOM 534 OE1 GLU A 35 9.327 1.989 -7.362 1.00 2.23 O ATOM 535 OE2 GLU A 35 9.593 2.010 -7.006 1.00 2.30 O ATOM 0 H GLU A 35 6.199 0.527 -4.221 1.00 0.38 H new ATOM 0 HA GLU A 35 8.845 1.723 -3.648 1.00 0.42 H new ATOM 0 HB2 GLU A 35 7.361 1.216 -6.023 1.00 0.49 H new ATOM 0 HB3 GLU A 35 7.505 2.947 -5.787 1.00 0.49 H new ATOM 0 HG2 GLU A 35 9.219 2.903 -5.719 1.00 1.21 H new ATOM 0 HG3 GLU A 35 9.272 1.151 -5.680 1.00 1.21 H new ATOM 542 N LYS A 36 7.827 3.726 -2.641 1.00 0.36 N ATOM 543 CA LYS A 36 7.242 4.884 -1.994 1.00 0.35 C ATOM 544 C LYS A 36 7.335 6.089 -2.887 1.00 0.37 C ATOM 545 O LYS A 36 8.292 6.240 -3.614 1.00 0.51 O ATOM 546 CB LYS A 36 7.919 5.159 -0.672 1.00 0.50 C ATOM 547 CG LYS A 36 8.068 4.299 0.137 1.00 0.90 C ATOM 548 CD LYS A 36 9.235 4.381 0.775 1.00 1.35 C ATOM 549 CE LYS A 36 9.785 4.059 1.307 1.00 1.82 C ATOM 550 NZ LYS A 36 10.485 4.039 1.941 1.00 2.26 N ATOM 0 H LYS A 36 8.799 3.546 -2.391 1.00 0.36 H new ATOM 0 HA LYS A 36 6.190 4.671 -1.804 1.00 0.35 H new ATOM 0 HB2 LYS A 36 8.908 5.557 -0.898 1.00 0.50 H new ATOM 0 HB3 LYS A 36 7.357 5.957 -0.187 1.00 0.50 H new ATOM 0 HG2 LYS A 36 7.258 4.348 0.865 1.00 0.90 H new ATOM 0 HG3 LYS A 36 7.996 3.329 -0.355 1.00 0.90 H new ATOM 0 HD2 LYS A 36 9.890 4.514 -0.086 1.00 1.35 H new ATOM 0 HD3 LYS A 36 9.109 5.361 1.234 1.00 1.35 H new ATOM 0 HE2 LYS A 36 9.065 3.499 1.903 1.00 1.82 H new ATOM 0 HE3 LYS A 36 10.235 3.355 0.606 1.00 1.82 H new ATOM 0 HZ1 LYS A 36 10.923 3.096 1.944 1.00 2.26 H new ATOM 0 HZ2 LYS A 36 11.200 4.752 1.692 1.00 2.26 H new ATOM 0 HZ3 LYS A 36 10.104 4.247 2.886 1.00 2.26 H new ATOM 564 N ILE A 37 6.329 6.939 -2.829 1.00 0.36 N ATOM 565 CA ILE A 37 6.283 8.129 -3.635 1.00 0.52 C ATOM 566 C ILE A 37 6.342 9.359 -2.755 1.00 0.64 C ATOM 567 O ILE A 37 5.831 9.461 -1.919 1.00 1.24 O ATOM 568 CB ILE A 37 5.013 8.172 -4.488 1.00 0.61 C ATOM 569 CG1 ILE A 37 4.060 8.019 -3.871 1.00 1.32 C ATOM 570 CG2 ILE A 37 4.841 7.407 -5.453 1.00 0.70 C ATOM 571 CD1 ILE A 37 4.021 7.070 -3.454 1.00 1.81 C ATOM 0 H ILE A 37 5.521 6.818 -2.218 1.00 0.36 H new ATOM 0 HA ILE A 37 7.146 8.114 -4.300 1.00 0.52 H new ATOM 0 HB ILE A 37 5.193 9.166 -4.897 1.00 0.61 H new ATOM 0 HG12 ILE A 37 4.015 8.767 -3.079 1.00 1.32 H new ATOM 0 HG13 ILE A 37 3.187 8.174 -4.505 1.00 1.32 H new ATOM 0 HG21 ILE A 37 3.874 7.612 -5.912 1.00 0.70 H new ATOM 0 HG22 ILE A 37 5.632 7.563 -6.187 1.00 0.70 H new ATOM 0 HG23 ILE A 37 4.866 6.374 -5.107 1.00 0.70 H new ATOM 0 HD11 ILE A 37 3.103 6.964 -2.877 1.00 1.81 H new ATOM 0 HD12 ILE A 37 4.039 6.323 -4.247 1.00 1.81 H new ATOM 0 HD13 ILE A 37 4.880 6.925 -2.799 1.00 1.81 H new ATOM 583 N LYS A 38 6.961 10.288 -2.940 1.00 0.49 N ATOM 584 CA LYS A 38 7.073 11.501 -2.151 1.00 0.51 C ATOM 585 C LYS A 38 6.754 12.724 -2.989 1.00 0.55 C ATOM 586 O LYS A 38 7.644 13.472 -3.382 1.00 0.62 O ATOM 587 CB LYS A 38 8.469 11.622 -1.554 1.00 0.56 C ATOM 588 CG LYS A 38 9.364 11.883 -2.205 1.00 1.05 C ATOM 589 CD LYS A 38 10.332 11.851 -1.877 1.00 1.61 C ATOM 590 CE LYS A 38 11.044 11.948 -2.148 1.00 2.33 C ATOM 591 NZ LYS A 38 11.467 11.944 -2.166 1.00 3.21 N ATOM 0 H LYS A 38 7.552 10.345 -3.769 1.00 0.49 H new ATOM 0 HA LYS A 38 6.348 11.443 -1.339 1.00 0.51 H new ATOM 0 HB2 LYS A 38 8.416 12.375 -0.768 1.00 0.56 H new ATOM 0 HB3 LYS A 38 8.693 10.671 -1.070 1.00 0.56 H new ATOM 0 HG2 LYS A 38 9.313 11.226 -3.073 1.00 1.05 H new ATOM 0 HG3 LYS A 38 9.196 12.898 -2.564 1.00 1.05 H new ATOM 0 HD2 LYS A 38 10.311 12.555 -1.045 1.00 1.61 H new ATOM 0 HD3 LYS A 38 10.390 10.851 -1.446 1.00 1.61 H new ATOM 0 HE2 LYS A 38 10.887 11.398 -3.076 1.00 2.33 H new ATOM 0 HE3 LYS A 38 10.932 13.007 -2.382 1.00 2.33 H new ATOM 0 HZ1 LYS A 38 11.829 12.911 -2.039 1.00 3.21 H new ATOM 0 HZ2 LYS A 38 11.841 11.332 -1.412 1.00 3.21 H new ATOM 0 HZ3 LYS A 38 11.772 11.579 -3.091 1.00 3.21 H new ATOM 605 N GLU A 39 5.470 12.914 -3.248 1.00 0.54 N ATOM 606 CA GLU A 39 4.988 14.043 -4.037 1.00 0.62 C ATOM 607 C GLU A 39 3.568 13.798 -4.512 1.00 0.53 C ATOM 608 O GLU A 39 3.282 12.765 -5.093 1.00 0.48 O ATOM 609 CB GLU A 39 5.883 14.291 -5.235 1.00 0.76 C ATOM 610 CG GLU A 39 6.643 15.088 -5.307 1.00 1.22 C ATOM 611 CD GLU A 39 6.943 15.736 -5.962 1.00 1.69 C ATOM 612 OE1 GLU A 39 6.962 15.769 -6.243 1.00 2.44 O ATOM 613 OE2 GLU A 39 7.158 16.210 -6.193 1.00 2.11 O ATOM 0 H GLU A 39 4.731 12.292 -2.919 1.00 0.54 H new ATOM 0 HA GLU A 39 5.005 14.924 -3.395 1.00 0.62 H new ATOM 0 HB2 GLU A 39 6.414 13.355 -5.409 1.00 0.76 H new ATOM 0 HB3 GLU A 39 5.213 14.440 -6.082 1.00 0.76 H new ATOM 0 HG2 GLU A 39 6.405 15.716 -4.449 1.00 1.22 H new ATOM 0 HG3 GLU A 39 7.563 14.556 -5.066 1.00 1.22 H new ATOM 620 N MET A 40 2.680 14.748 -4.267 1.00 0.59 N ATOM 621 CA MET A 40 1.295 14.611 -4.677 1.00 0.56 C ATOM 622 C MET A 40 1.191 14.358 -6.163 1.00 0.55 C ATOM 623 O MET A 40 0.245 13.735 -6.623 1.00 0.51 O ATOM 624 CB MET A 40 0.501 15.850 -4.302 1.00 0.68 C ATOM 625 CG MET A 40 0.323 16.424 -4.183 1.00 1.59 C ATOM 626 SD MET A 40 -0.059 17.541 -3.713 1.00 2.16 S ATOM 627 CE MET A 40 -0.359 18.277 -3.635 1.00 2.59 C ATOM 0 H MET A 40 2.895 15.622 -3.786 1.00 0.59 H new ATOM 0 HA MET A 40 0.876 13.753 -4.152 1.00 0.56 H new ATOM 0 HB2 MET A 40 -0.304 15.655 -5.011 1.00 0.68 H new ATOM 0 HB3 MET A 40 0.179 15.458 -3.338 1.00 0.68 H new ATOM 0 HG2 MET A 40 1.194 16.860 -4.673 1.00 1.59 H new ATOM 0 HG3 MET A 40 -0.477 16.393 -4.923 1.00 1.59 H new ATOM 0 HE1 MET A 40 0.438 19.010 -3.758 1.00 2.59 H new ATOM 0 HE2 MET A 40 -1.123 18.441 -4.395 1.00 2.59 H new ATOM 0 HE3 MET A 40 -0.803 18.386 -2.645 1.00 2.59 H new ATOM 637 N ASP A 41 2.176 14.816 -6.914 1.00 0.63 N ATOM 638 CA ASP A 41 2.176 14.595 -8.344 1.00 0.67 C ATOM 639 C ASP A 41 1.963 13.122 -8.612 1.00 0.61 C ATOM 640 O ASP A 41 1.243 12.741 -9.525 1.00 0.62 O ATOM 641 CB ASP A 41 3.485 15.061 -8.955 1.00 0.79 C ATOM 642 CG ASP A 41 3.339 16.212 -9.794 1.00 1.04 C ATOM 643 OD1 ASP A 41 3.241 16.658 -10.240 1.00 1.42 O ATOM 644 OD2 ASP A 41 3.322 16.667 -10.004 1.00 1.70 O ATOM 0 H ASP A 41 2.978 15.338 -6.560 1.00 0.63 H new ATOM 0 HA ASP A 41 1.370 15.170 -8.800 1.00 0.67 H new ATOM 0 HB2 ASP A 41 4.190 15.289 -8.156 1.00 0.79 H new ATOM 0 HB3 ASP A 41 3.916 14.247 -9.538 1.00 0.79 H new ATOM 649 N GLN A 42 2.580 12.304 -7.774 1.00 0.57 N ATOM 650 CA GLN A 42 2.453 10.870 -7.867 1.00 0.56 C ATOM 651 C GLN A 42 1.237 10.397 -7.089 1.00 0.47 C ATOM 652 O GLN A 42 0.574 9.447 -7.479 1.00 0.49 O ATOM 653 CB GLN A 42 3.707 10.187 -7.337 1.00 0.61 C ATOM 654 CG GLN A 42 4.817 10.267 -8.166 1.00 0.96 C ATOM 655 CD GLN A 42 5.406 10.004 -8.741 1.00 1.29 C ATOM 656 OE1 GLN A 42 5.680 9.800 -8.633 1.00 1.88 O ATOM 657 NE2 GLN A 42 5.605 10.008 -9.358 1.00 1.98 N ATOM 0 H GLN A 42 3.181 12.621 -7.013 1.00 0.57 H new ATOM 0 HA GLN A 42 2.327 10.604 -8.917 1.00 0.56 H new ATOM 0 HB2 GLN A 42 3.961 10.627 -6.372 1.00 0.61 H new ATOM 0 HB3 GLN A 42 3.481 9.136 -7.159 1.00 0.61 H new ATOM 0 HG2 GLN A 42 4.507 11.162 -8.705 1.00 0.96 H new ATOM 0 HG3 GLN A 42 5.523 10.585 -7.399 1.00 0.96 H new ATOM 0 HE21 GLN A 42 5.070 10.515 -10.063 1.00 1.98 H new ATOM 0 HE22 GLN A 42 6.453 9.508 -9.624 1.00 1.98 H new ATOM 666 N ILE A 43 0.956 11.066 -5.979 1.00 0.41 N ATOM 667 CA ILE A 43 -0.173 10.707 -5.143 1.00 0.36 C ATOM 668 C ILE A 43 -1.484 10.866 -5.887 1.00 0.39 C ATOM 669 O ILE A 43 -2.285 9.951 -5.953 1.00 0.45 O ATOM 670 CB ILE A 43 -0.223 11.526 -3.847 1.00 0.39 C ATOM 671 CG1 ILE A 43 0.767 11.786 -3.300 1.00 0.85 C ATOM 672 CG2 ILE A 43 -0.833 11.117 -2.952 1.00 0.76 C ATOM 673 CD1 ILE A 43 0.688 12.570 -2.182 1.00 1.11 C ATOM 0 H ILE A 43 1.497 11.861 -5.639 1.00 0.41 H new ATOM 0 HA ILE A 43 -0.032 9.659 -4.880 1.00 0.36 H new ATOM 0 HB ILE A 43 -0.681 12.373 -4.357 1.00 0.39 H new ATOM 0 HG12 ILE A 43 1.251 10.850 -3.020 1.00 0.85 H new ATOM 0 HG13 ILE A 43 1.424 12.284 -4.013 1.00 0.85 H new ATOM 0 HG21 ILE A 43 -0.765 11.814 -2.117 1.00 0.76 H new ATOM 0 HG22 ILE A 43 -1.877 11.002 -3.245 1.00 0.76 H new ATOM 0 HG23 ILE A 43 -0.432 10.149 -2.650 1.00 0.76 H new ATOM 0 HD11 ILE A 43 1.688 12.730 -1.778 1.00 1.11 H new ATOM 0 HD12 ILE A 43 0.244 13.531 -2.442 1.00 1.11 H new ATOM 0 HD13 ILE A 43 0.069 12.075 -1.434 1.00 1.11 H new ATOM 685 N LEU A 44 -1.687 12.032 -6.449 1.00 0.42 N ATOM 686 CA LEU A 44 -2.898 12.326 -7.197 1.00 0.49 C ATOM 687 C LEU A 44 -3.008 11.435 -8.418 1.00 0.54 C ATOM 688 O LEU A 44 -4.090 10.999 -8.779 1.00 0.62 O ATOM 689 CB LEU A 44 -2.942 13.802 -7.587 1.00 0.56 C ATOM 690 CG LEU A 44 -2.608 14.141 -9.032 1.00 0.64 C ATOM 691 CD1 LEU A 44 -3.165 15.496 -9.408 1.00 0.70 C ATOM 692 CD2 LEU A 44 -1.119 14.103 -9.247 1.00 0.68 C ATOM 0 H LEU A 44 -1.024 12.806 -6.405 1.00 0.42 H new ATOM 0 HA LEU A 44 -3.756 12.119 -6.557 1.00 0.49 H new ATOM 0 HB2 LEU A 44 -3.941 14.180 -7.372 1.00 0.56 H new ATOM 0 HB3 LEU A 44 -2.250 14.344 -6.942 1.00 0.56 H new ATOM 0 HG LEU A 44 -3.071 13.394 -9.676 1.00 0.64 H new ATOM 0 HD11 LEU A 44 -2.914 15.717 -10.445 1.00 0.70 H new ATOM 0 HD12 LEU A 44 -4.249 15.489 -9.290 1.00 0.70 H new ATOM 0 HD13 LEU A 44 -2.734 16.259 -8.760 1.00 0.70 H new ATOM 0 HD21 LEU A 44 -0.895 14.348 -10.285 1.00 0.68 H new ATOM 0 HD22 LEU A 44 -0.638 14.829 -8.591 1.00 0.68 H new ATOM 0 HD23 LEU A 44 -0.744 13.105 -9.020 1.00 0.68 H new ATOM 704 N GLU A 45 -1.880 11.155 -9.042 1.00 0.55 N ATOM 705 CA GLU A 45 -1.858 10.302 -10.211 1.00 0.64 C ATOM 706 C GLU A 45 -2.463 8.958 -9.886 1.00 0.68 C ATOM 707 O GLU A 45 -2.980 8.281 -10.757 1.00 0.81 O ATOM 708 CB GLU A 45 -0.438 10.125 -10.706 1.00 0.71 C ATOM 709 CG GLU A 45 -0.323 9.887 -12.149 1.00 0.85 C ATOM 710 CD GLU A 45 0.239 9.727 -12.754 1.00 1.26 C ATOM 711 OE1 GLU A 45 0.455 9.739 -12.735 1.00 2.01 O ATOM 712 OE2 GLU A 45 0.463 9.589 -13.246 1.00 1.93 O ATOM 0 H GLU A 45 -0.966 11.507 -8.757 1.00 0.55 H new ATOM 0 HA GLU A 45 -2.447 10.774 -10.997 1.00 0.64 H new ATOM 0 HB2 GLU A 45 0.136 11.015 -10.450 1.00 0.71 H new ATOM 0 HB3 GLU A 45 0.017 9.289 -10.175 1.00 0.71 H new ATOM 0 HG2 GLU A 45 -1.015 9.055 -12.280 1.00 0.85 H new ATOM 0 HG3 GLU A 45 -0.813 10.775 -12.548 1.00 0.85 H new ATOM 719 N ALA A 46 -2.407 8.590 -8.618 1.00 0.60 N ATOM 720 CA ALA A 46 -2.959 7.343 -8.160 1.00 0.66 C ATOM 721 C ALA A 46 -4.452 7.437 -8.115 1.00 0.72 C ATOM 722 O ALA A 46 -5.146 6.503 -8.440 1.00 0.89 O ATOM 723 CB ALA A 46 -2.414 6.983 -6.798 1.00 0.58 C ATOM 0 H ALA A 46 -1.977 9.152 -7.884 1.00 0.60 H new ATOM 0 HA ALA A 46 -2.671 6.557 -8.858 1.00 0.66 H new ATOM 0 HB1 ALA A 46 -2.845 6.037 -6.472 1.00 0.58 H new ATOM 0 HB2 ALA A 46 -1.330 6.888 -6.854 1.00 0.58 H new ATOM 0 HB3 ALA A 46 -2.673 7.765 -6.084 1.00 0.58 H new ATOM 729 N GLY A 47 -4.937 8.583 -7.716 1.00 0.65 N ATOM 730 CA GLY A 47 -6.343 8.792 -7.640 1.00 0.78 C ATOM 731 C GLY A 47 -6.881 8.932 -6.260 1.00 0.69 C ATOM 732 O GLY A 47 -8.040 9.172 -6.093 1.00 0.78 O ATOM 0 H GLY A 47 -4.369 9.384 -7.439 1.00 0.65 H new ATOM 0 HA2 GLY A 47 -6.593 9.690 -8.205 1.00 0.78 H new ATOM 0 HA3 GLY A 47 -6.847 7.958 -8.128 1.00 0.78 H new ATOM 736 N LEU A 48 -6.046 8.783 -5.265 1.00 0.59 N ATOM 737 CA LEU A 48 -6.474 8.901 -3.903 1.00 0.60 C ATOM 738 C LEU A 48 -6.722 10.277 -3.528 1.00 0.70 C ATOM 739 O LEU A 48 -6.376 10.961 -3.992 1.00 1.17 O ATOM 740 CB LEU A 48 -5.533 8.303 -2.923 1.00 0.63 C ATOM 741 CG LEU A 48 -4.091 8.473 -2.940 1.00 0.46 C ATOM 742 CD1 LEU A 48 -3.483 7.335 -3.424 1.00 0.56 C ATOM 743 CD2 LEU A 48 -3.748 9.586 -3.713 1.00 0.70 C ATOM 0 H LEU A 48 -5.054 8.577 -5.379 1.00 0.59 H new ATOM 0 HA LEU A 48 -7.403 8.333 -3.865 1.00 0.60 H new ATOM 0 HB2 LEU A 48 -5.863 8.647 -1.943 1.00 0.63 H new ATOM 0 HB3 LEU A 48 -5.708 7.228 -2.958 1.00 0.63 H new ATOM 0 HG LEU A 48 -3.741 8.640 -1.921 1.00 0.46 H new ATOM 0 HD11 LEU A 48 -2.402 7.475 -3.432 1.00 0.56 H new ATOM 0 HD12 LEU A 48 -3.735 6.488 -2.785 1.00 0.56 H new ATOM 0 HD13 LEU A 48 -3.831 7.140 -4.438 1.00 0.56 H new ATOM 0 HD21 LEU A 48 -2.665 9.705 -3.719 1.00 0.70 H new ATOM 0 HD22 LEU A 48 -4.103 9.444 -4.734 1.00 0.70 H new ATOM 0 HD23 LEU A 48 -4.208 10.479 -3.290 1.00 0.70 H new ATOM 755 N THR A 49 -7.325 10.678 -2.685 1.00 0.64 N ATOM 756 CA THR A 49 -7.619 11.975 -2.241 1.00 0.85 C ATOM 757 C THR A 49 -7.053 12.258 -0.874 1.00 0.80 C ATOM 758 O THR A 49 -6.915 13.292 -0.463 1.00 1.13 O ATOM 759 CB THR A 49 -9.062 12.213 -2.195 1.00 1.10 C ATOM 760 OG1 THR A 49 -9.563 11.900 -2.238 1.00 1.81 O ATOM 761 CG2 THR A 49 -9.590 12.543 -2.514 1.00 1.82 C ATOM 0 H THR A 49 -7.786 10.008 -2.069 1.00 0.64 H new ATOM 0 HA THR A 49 -7.153 12.643 -2.965 1.00 0.85 H new ATOM 0 HB THR A 49 -8.283 12.491 -1.485 1.00 1.10 H new ATOM 0 HG1 THR A 49 -9.656 11.322 -1.452 1.00 1.81 H new ATOM 0 HG21 THR A 49 -10.521 12.336 -1.986 1.00 1.82 H new ATOM 0 HG22 THR A 49 -9.403 13.617 -2.511 1.00 1.82 H new ATOM 0 HG23 THR A 49 -9.671 12.191 -3.543 1.00 1.82 H new ATOM 769 N ALA A 50 -6.718 11.328 -0.179 1.00 0.56 N ATOM 770 CA ALA A 50 -6.155 11.463 1.139 1.00 0.53 C ATOM 771 C ALA A 50 -4.640 11.389 1.076 1.00 0.49 C ATOM 772 O ALA A 50 -4.058 11.375 0.004 1.00 0.55 O ATOM 773 CB ALA A 50 -6.702 10.399 2.049 1.00 0.56 C ATOM 0 H ALA A 50 -6.810 10.357 -0.478 1.00 0.56 H new ATOM 0 HA ALA A 50 -6.433 12.437 1.542 1.00 0.53 H new ATOM 0 HB1 ALA A 50 -6.268 10.512 3.043 1.00 0.56 H new ATOM 0 HB2 ALA A 50 -7.786 10.497 2.113 1.00 0.56 H new ATOM 0 HB3 ALA A 50 -6.449 9.416 1.652 1.00 0.56 H new ATOM 779 N LEU A 51 -4.000 11.350 2.219 1.00 0.47 N ATOM 780 CA LEU A 51 -2.553 11.288 2.256 1.00 0.49 C ATOM 781 C LEU A 51 -2.041 9.859 2.232 1.00 0.44 C ATOM 782 O LEU A 51 -1.363 9.462 1.294 1.00 0.44 O ATOM 783 CB LEU A 51 -2.013 12.026 3.469 1.00 0.59 C ATOM 784 CG LEU A 51 -1.463 13.298 3.257 1.00 0.84 C ATOM 785 CD1 LEU A 51 -1.881 14.070 3.328 1.00 1.47 C ATOM 786 CD2 LEU A 51 -0.776 13.745 3.684 1.00 1.29 C ATOM 0 H LEU A 51 -4.452 11.360 3.133 1.00 0.47 H new ATOM 0 HA LEU A 51 -2.188 11.780 1.354 1.00 0.49 H new ATOM 0 HB2 LEU A 51 -2.823 12.125 4.191 1.00 0.59 H new ATOM 0 HB3 LEU A 51 -1.249 11.401 3.931 1.00 0.59 H new ATOM 0 HG LEU A 51 -1.302 12.709 2.354 1.00 0.84 H new ATOM 0 HD11 LEU A 51 -1.188 14.881 3.102 1.00 1.47 H new ATOM 0 HD12 LEU A 51 -2.714 14.098 2.626 1.00 1.47 H new ATOM 0 HD13 LEU A 51 -2.258 14.187 4.344 1.00 1.47 H new ATOM 0 HD21 LEU A 51 -0.641 14.725 3.227 1.00 1.29 H new ATOM 0 HD22 LEU A 51 -1.022 13.867 4.739 1.00 1.29 H new ATOM 0 HD23 LEU A 51 0.146 13.171 3.590 1.00 1.29 H new ATOM 798 N PRO A 52 -2.347 9.061 3.257 1.00 0.45 N ATOM 799 CA PRO A 52 -1.898 7.675 3.325 1.00 0.49 C ATOM 800 C PRO A 52 -2.546 6.793 2.271 1.00 0.47 C ATOM 801 O PRO A 52 -3.209 5.821 2.589 1.00 0.54 O ATOM 802 CB PRO A 52 -2.322 7.232 4.719 1.00 0.59 C ATOM 803 CG PRO A 52 -2.903 8.351 5.358 1.00 0.59 C ATOM 804 CD PRO A 52 -3.142 9.435 4.426 1.00 0.51 C ATOM 0 HA PRO A 52 -0.827 7.592 3.140 1.00 0.49 H new ATOM 0 HB2 PRO A 52 -3.035 6.410 4.660 1.00 0.59 H new ATOM 0 HB3 PRO A 52 -1.464 6.870 5.285 1.00 0.59 H new ATOM 0 HG2 PRO A 52 -3.844 8.057 5.823 1.00 0.59 H new ATOM 0 HG3 PRO A 52 -2.246 8.696 6.157 1.00 0.59 H new ATOM 0 HD2 PRO A 52 -4.200 9.527 4.179 1.00 0.51 H new ATOM 0 HD3 PRO A 52 -2.826 10.394 4.836 1.00 0.51 H new ATOM 812 N GLY A 53 -2.348 7.129 1.015 1.00 0.43 N ATOM 813 CA GLY A 53 -2.919 6.348 -0.053 1.00 0.44 C ATOM 814 C GLY A 53 -2.045 5.198 -0.467 1.00 0.40 C ATOM 815 O GLY A 53 -0.839 5.300 -0.463 1.00 0.46 O ATOM 0 H GLY A 53 -1.799 7.933 0.712 1.00 0.43 H new ATOM 0 HA2 GLY A 53 -3.890 5.965 0.262 1.00 0.44 H new ATOM 0 HA3 GLY A 53 -3.095 6.993 -0.914 1.00 0.44 H new ATOM 819 N LEU A 54 -2.656 4.100 -0.826 1.00 0.41 N ATOM 820 CA LEU A 54 -1.930 2.923 -1.248 1.00 0.43 C ATOM 821 C LEU A 54 -2.578 2.303 -2.470 1.00 0.40 C ATOM 822 O LEU A 54 -3.661 1.737 -2.385 1.00 0.44 O ATOM 823 CB LEU A 54 -1.868 1.912 -0.123 1.00 0.57 C ATOM 824 CG LEU A 54 -1.108 0.952 -0.084 1.00 0.92 C ATOM 825 CD1 LEU A 54 -0.625 0.471 0.015 1.00 1.59 C ATOM 826 CD2 LEU A 54 -0.925 0.591 0.010 1.00 1.72 C ATOM 0 H LEU A 54 -3.670 3.992 -0.835 1.00 0.41 H new ATOM 0 HA LEU A 54 -0.915 3.223 -1.509 1.00 0.43 H new ATOM 0 HB2 LEU A 54 -1.675 2.484 0.784 1.00 0.57 H new ATOM 0 HB3 LEU A 54 -2.874 1.502 -0.033 1.00 0.57 H new ATOM 0 HG LEU A 54 -1.676 1.806 -0.453 1.00 0.92 H new ATOM 0 HD11 LEU A 54 -0.825 -0.384 -0.631 1.00 1.59 H new ATOM 0 HD12 LEU A 54 0.355 0.885 -0.223 1.00 1.59 H new ATOM 0 HD13 LEU A 54 -0.640 0.149 1.056 1.00 1.59 H new ATOM 0 HD21 LEU A 54 -0.030 0.467 -0.600 1.00 1.72 H new ATOM 0 HD22 LEU A 54 -0.649 0.587 1.064 1.00 1.72 H new ATOM 0 HD23 LEU A 54 -1.615 -0.229 -0.188 1.00 1.72 H new ATOM 838 N ALA A 55 -1.918 2.415 -3.609 1.00 0.38 N ATOM 839 CA ALA A 55 -2.452 1.863 -4.840 1.00 0.39 C ATOM 840 C ALA A 55 -1.789 0.541 -5.184 1.00 0.39 C ATOM 841 O ALA A 55 -0.568 0.453 -5.276 1.00 0.40 O ATOM 842 CB ALA A 55 -2.286 2.848 -5.976 1.00 0.42 C ATOM 0 H ALA A 55 -1.016 2.881 -3.707 1.00 0.38 H new ATOM 0 HA ALA A 55 -3.515 1.676 -4.690 1.00 0.39 H new ATOM 0 HB1 ALA A 55 -2.692 2.419 -6.892 1.00 0.42 H new ATOM 0 HB2 ALA A 55 -2.819 3.769 -5.740 1.00 0.42 H new ATOM 0 HB3 ALA A 55 -1.227 3.067 -6.116 1.00 0.42 H new ATOM 848 N VAL A 56 -2.602 -0.486 -5.371 1.00 0.41 N ATOM 849 CA VAL A 56 -2.097 -1.806 -5.703 1.00 0.44 C ATOM 850 C VAL A 56 -2.573 -2.249 -7.068 1.00 0.48 C ATOM 851 O VAL A 56 -3.722 -2.030 -7.440 1.00 0.50 O ATOM 852 CB VAL A 56 -2.508 -2.854 -4.664 1.00 0.48 C ATOM 853 CG1 VAL A 56 -1.432 -2.976 -3.611 1.00 0.48 C ATOM 854 CG2 VAL A 56 -3.849 -2.510 -4.039 1.00 0.51 C ATOM 0 H VAL A 56 -3.618 -0.429 -5.298 1.00 0.41 H new ATOM 0 HA VAL A 56 -1.010 -1.727 -5.708 1.00 0.44 H new ATOM 0 HB VAL A 56 -2.621 -3.816 -5.163 1.00 0.48 H new ATOM 0 HG11 VAL A 56 -1.728 -3.722 -2.874 1.00 0.48 H new ATOM 0 HG12 VAL A 56 -0.496 -3.280 -4.080 1.00 0.48 H new ATOM 0 HG13 VAL A 56 -1.294 -2.014 -3.118 1.00 0.48 H new ATOM 0 HG21 VAL A 56 -4.115 -3.271 -3.306 1.00 0.51 H new ATOM 0 HG22 VAL A 56 -3.783 -1.540 -3.547 1.00 0.51 H new ATOM 0 HG23 VAL A 56 -4.613 -2.472 -4.815 1.00 0.51 H new ATOM 864 N ASP A 57 -1.674 -2.870 -7.813 1.00 0.50 N ATOM 865 CA ASP A 57 -1.988 -3.345 -9.154 1.00 0.56 C ATOM 866 C ASP A 57 -2.703 -2.264 -9.955 1.00 0.57 C ATOM 867 O ASP A 57 -3.475 -2.558 -10.861 1.00 0.64 O ATOM 868 CB ASP A 57 -2.853 -4.599 -9.085 1.00 0.63 C ATOM 869 CG ASP A 57 -2.304 -5.690 -9.487 1.00 0.97 C ATOM 870 OD1 ASP A 57 -2.126 -6.055 -9.770 1.00 1.59 O ATOM 871 OD2 ASP A 57 -2.053 -6.179 -9.519 1.00 1.55 O ATOM 0 H ASP A 57 -0.718 -3.058 -7.513 1.00 0.50 H new ATOM 0 HA ASP A 57 -1.051 -3.588 -9.656 1.00 0.56 H new ATOM 0 HB2 ASP A 57 -3.174 -4.737 -8.053 1.00 0.63 H new ATOM 0 HB3 ASP A 57 -3.751 -4.429 -9.678 1.00 0.63 H new ATOM 876 N GLY A 58 -2.443 -1.011 -9.606 1.00 0.53 N ATOM 877 CA GLY A 58 -3.072 0.096 -10.292 1.00 0.56 C ATOM 878 C GLY A 58 -4.502 0.312 -9.853 1.00 0.56 C ATOM 879 O GLY A 58 -5.345 0.722 -10.642 1.00 0.62 O ATOM 0 H GLY A 58 -1.805 -0.743 -8.857 1.00 0.53 H new ATOM 0 HA2 GLY A 58 -2.498 1.005 -10.110 1.00 0.56 H new ATOM 0 HA3 GLY A 58 -3.049 -0.086 -11.366 1.00 0.56 H new ATOM 883 N GLU A 59 -4.778 0.031 -8.590 1.00 0.52 N ATOM 884 CA GLU A 59 -6.116 0.194 -8.047 1.00 0.53 C ATOM 885 C GLU A 59 -6.065 0.633 -6.592 1.00 0.49 C ATOM 886 O GLU A 59 -5.823 -0.172 -5.701 1.00 0.51 O ATOM 887 CB GLU A 59 -6.898 -1.110 -8.172 1.00 0.59 C ATOM 888 CG GLU A 59 -7.756 -1.245 -8.970 1.00 1.04 C ATOM 889 CD GLU A 59 -8.432 -1.778 -9.310 1.00 1.50 C ATOM 890 OE1 GLU A 59 -8.752 -1.971 -9.365 1.00 2.05 O ATOM 891 OE2 GLU A 59 -8.640 -2.003 -9.521 1.00 2.21 O ATOM 0 H GLU A 59 -4.090 -0.312 -7.920 1.00 0.52 H new ATOM 0 HA GLU A 59 -6.622 0.971 -8.621 1.00 0.53 H new ATOM 0 HB2 GLU A 59 -6.169 -1.899 -8.356 1.00 0.59 H new ATOM 0 HB3 GLU A 59 -7.341 -1.307 -7.196 1.00 0.59 H new ATOM 0 HG2 GLU A 59 -8.323 -0.334 -8.780 1.00 1.04 H new ATOM 0 HG3 GLU A 59 -7.182 -1.079 -9.882 1.00 1.04 H new ATOM 898 N LEU A 60 -6.299 1.917 -6.362 1.00 0.48 N ATOM 899 CA LEU A 60 -6.286 2.471 -5.014 1.00 0.46 C ATOM 900 C LEU A 60 -7.284 1.802 -4.147 1.00 0.52 C ATOM 901 O LEU A 60 -8.409 1.641 -4.539 1.00 0.66 O ATOM 902 CB LEU A 60 -6.554 3.935 -5.039 1.00 0.62 C ATOM 903 CG LEU A 60 -5.942 4.801 -5.561 1.00 0.93 C ATOM 904 CD1 LEU A 60 -5.383 4.778 -5.342 1.00 1.82 C ATOM 905 CD2 LEU A 60 -5.645 4.911 -6.398 1.00 1.59 C ATOM 0 H LEU A 60 -6.501 2.598 -7.094 1.00 0.48 H new ATOM 0 HA LEU A 60 -5.292 2.296 -4.603 1.00 0.46 H new ATOM 0 HB2 LEU A 60 -7.562 4.025 -5.444 1.00 0.62 H new ATOM 0 HB3 LEU A 60 -6.605 4.225 -3.990 1.00 0.62 H new ATOM 0 HG LEU A 60 -6.757 5.511 -5.420 1.00 0.93 H new ATOM 0 HD11 LEU A 60 -4.781 5.563 -5.799 1.00 1.82 H new ATOM 0 HD12 LEU A 60 -5.409 4.922 -4.262 1.00 1.82 H new ATOM 0 HD13 LEU A 60 -4.944 3.806 -5.568 1.00 1.82 H new ATOM 0 HD21 LEU A 60 -5.115 5.861 -6.474 1.00 1.59 H new ATOM 0 HD22 LEU A 60 -4.968 4.096 -6.654 1.00 1.59 H new ATOM 0 HD23 LEU A 60 -6.490 4.911 -7.087 1.00 1.59 H new ATOM 917 N LYS A 61 -6.865 1.408 -2.970 1.00 0.58 N ATOM 918 CA LYS A 61 -7.726 0.750 -2.056 1.00 0.79 C ATOM 919 C LYS A 61 -7.697 1.303 -0.655 1.00 0.65 C ATOM 920 O LYS A 61 -8.499 0.930 0.182 1.00 0.72 O ATOM 921 CB LYS A 61 -7.398 -0.655 -2.012 1.00 1.09 C ATOM 922 CG LYS A 61 -8.075 -1.438 -2.562 1.00 1.55 C ATOM 923 CD LYS A 61 -8.584 -2.344 -2.601 1.00 1.66 C ATOM 924 CE LYS A 61 -9.397 -2.807 -2.831 1.00 1.95 C ATOM 925 NZ LYS A 61 -9.898 -3.274 -2.976 1.00 2.47 N ATOM 0 H LYS A 61 -5.912 1.541 -2.631 1.00 0.58 H new ATOM 0 HA LYS A 61 -8.736 0.918 -2.430 1.00 0.79 H new ATOM 0 HB2 LYS A 61 -6.390 -0.764 -2.411 1.00 1.09 H new ATOM 0 HB3 LYS A 61 -7.358 -0.944 -0.962 1.00 1.09 H new ATOM 0 HG2 LYS A 61 -8.907 -0.779 -2.811 1.00 1.55 H new ATOM 0 HG3 LYS A 61 -7.478 -1.554 -3.467 1.00 1.55 H new ATOM 0 HD2 LYS A 61 -7.870 -2.930 -3.179 1.00 1.66 H new ATOM 0 HD3 LYS A 61 -8.484 -2.655 -1.561 1.00 1.66 H new ATOM 0 HE2 LYS A 61 -9.991 -2.293 -2.075 1.00 1.95 H new ATOM 0 HE3 LYS A 61 -9.530 -2.263 -3.766 1.00 1.95 H new ATOM 0 HZ1 LYS A 61 -10.700 -2.793 -3.432 1.00 2.47 H new ATOM 0 HZ2 LYS A 61 -9.520 -4.001 -3.617 1.00 2.47 H new ATOM 0 HZ3 LYS A 61 -10.220 -3.723 -2.095 1.00 2.47 H new ATOM 939 N ILE A 62 -6.778 2.187 -0.393 1.00 0.54 N ATOM 940 CA ILE A 62 -6.680 2.763 0.922 1.00 0.54 C ATOM 941 C ILE A 62 -6.322 4.222 0.867 1.00 0.56 C ATOM 942 O ILE A 62 -5.407 4.586 0.194 1.00 0.70 O ATOM 943 CB ILE A 62 -5.667 2.038 1.758 1.00 0.70 C ATOM 944 CG1 ILE A 62 -5.365 1.118 1.604 1.00 1.24 C ATOM 945 CG2 ILE A 62 -5.756 1.900 2.707 1.00 1.21 C ATOM 946 CD1 ILE A 62 -5.179 0.751 1.876 1.00 2.17 C ATOM 0 H ILE A 62 -6.089 2.525 -1.065 1.00 0.54 H new ATOM 0 HA ILE A 62 -7.664 2.662 1.380 1.00 0.54 H new ATOM 0 HB ILE A 62 -5.042 2.852 1.389 1.00 0.70 H new ATOM 0 HG12 ILE A 62 -6.236 0.655 1.141 1.00 1.24 H new ATOM 0 HG13 ILE A 62 -4.615 1.240 0.822 1.00 1.24 H new ATOM 0 HG21 ILE A 62 -4.891 1.349 3.077 1.00 1.21 H new ATOM 0 HG22 ILE A 62 -5.814 2.865 3.211 1.00 1.21 H new ATOM 0 HG23 ILE A 62 -6.663 1.330 2.908 1.00 1.21 H new ATOM 0 HD11 ILE A 62 -4.992 -0.114 1.240 1.00 2.17 H new ATOM 0 HD12 ILE A 62 -4.244 1.075 2.333 1.00 2.17 H new ATOM 0 HD13 ILE A 62 -5.890 0.480 2.657 1.00 2.17 H new ATOM 958 N MET A 63 -7.056 5.051 1.581 1.00 0.53 N ATOM 959 CA MET A 63 -6.819 6.472 1.615 1.00 0.61 C ATOM 960 C MET A 63 -7.144 7.087 2.958 1.00 0.53 C ATOM 961 O MET A 63 -8.211 6.858 3.504 1.00 0.57 O ATOM 962 CB MET A 63 -7.618 7.133 0.562 1.00 0.85 C ATOM 963 CG MET A 63 -7.664 7.551 -0.248 1.00 0.99 C ATOM 964 SD MET A 63 -8.758 7.455 -0.614 1.00 1.98 S ATOM 965 CE MET A 63 -9.691 7.349 -0.890 1.00 2.28 C ATOM 0 H MET A 63 -7.841 4.750 2.158 1.00 0.53 H new ATOM 0 HA MET A 63 -5.754 6.625 1.439 1.00 0.61 H new ATOM 0 HB2 MET A 63 -8.352 6.346 0.388 1.00 0.85 H new ATOM 0 HB3 MET A 63 -8.105 7.893 1.172 1.00 0.85 H new ATOM 0 HG2 MET A 63 -7.377 8.599 -0.159 1.00 0.99 H new ATOM 0 HG3 MET A 63 -6.977 7.092 -0.959 1.00 0.99 H new ATOM 0 HE1 MET A 63 -9.989 8.202 -1.499 1.00 2.28 H new ATOM 0 HE2 MET A 63 -9.797 6.433 -1.472 1.00 2.28 H new ATOM 0 HE3 MET A 63 -10.328 7.293 -0.007 1.00 2.28 H new ATOM 975 N GLY A 64 -6.225 7.880 3.485 1.00 0.50 N ATOM 976 CA GLY A 64 -6.458 8.519 4.757 1.00 0.51 C ATOM 977 C GLY A 64 -6.279 7.617 5.917 1.00 0.51 C ATOM 978 O GLY A 64 -6.394 8.051 7.021 1.00 0.65 O ATOM 0 H GLY A 64 -5.325 8.091 3.054 1.00 0.50 H new ATOM 0 HA2 GLY A 64 -5.779 9.366 4.858 1.00 0.51 H new ATOM 0 HA3 GLY A 64 -7.472 8.920 4.772 1.00 0.51 H new ATOM 982 N ARG A 65 -5.997 6.362 5.669 1.00 0.50 N ATOM 983 CA ARG A 65 -5.803 5.394 6.701 1.00 0.62 C ATOM 984 C ARG A 65 -5.426 4.046 6.166 1.00 0.54 C ATOM 985 O ARG A 65 -6.250 3.315 5.691 1.00 0.54 O ATOM 986 CB ARG A 65 -7.013 5.262 7.505 1.00 0.81 C ATOM 987 CG ARG A 65 -7.099 5.018 8.503 1.00 1.32 C ATOM 988 CD ARG A 65 -7.731 4.948 9.183 1.00 1.80 C ATOM 989 NE ARG A 65 -8.224 4.705 9.725 1.00 2.16 N ATOM 990 CZ ARG A 65 -8.566 4.640 10.186 1.00 2.76 C ATOM 991 NH1 ARG A 65 -8.470 4.799 10.173 1.00 3.16 N ATOM 992 NH2 ARG A 65 -9.006 4.415 10.662 1.00 3.53 N ATOM 0 H ARG A 65 -5.896 5.986 4.726 1.00 0.50 H new ATOM 0 HA ARG A 65 -4.977 5.756 7.313 1.00 0.62 H new ATOM 0 HB2 ARG A 65 -7.523 6.220 7.405 1.00 0.81 H new ATOM 0 HB3 ARG A 65 -7.619 4.522 6.982 1.00 0.81 H new ATOM 0 HG2 ARG A 65 -6.656 4.022 8.519 1.00 1.32 H new ATOM 0 HG3 ARG A 65 -6.375 5.697 8.953 1.00 1.32 H new ATOM 0 HD2 ARG A 65 -7.198 5.620 9.856 1.00 1.80 H new ATOM 0 HD3 ARG A 65 -8.477 5.546 8.660 1.00 1.80 H new ATOM 0 HE ARG A 65 -8.432 3.803 9.297 1.00 2.16 H new ATOM 0 HH11 ARG A 65 -7.853 4.959 9.377 1.00 3.16 H new ATOM 0 HH12 ARG A 65 -8.561 5.510 10.898 1.00 3.16 H new ATOM 0 HH21 ARG A 65 -9.443 3.499 10.560 1.00 3.53 H new ATOM 0 HH22 ARG A 65 -9.223 4.997 11.471 1.00 3.53 H new ATOM 1006 N VAL A 66 -4.178 3.723 6.241 1.00 0.65 N ATOM 1007 CA VAL A 66 -3.703 2.464 5.755 1.00 0.71 C ATOM 1008 C VAL A 66 -4.404 1.308 6.434 1.00 0.68 C ATOM 1009 O VAL A 66 -4.786 1.409 7.569 1.00 0.77 O ATOM 1010 CB VAL A 66 -2.212 2.328 5.942 1.00 0.91 C ATOM 1011 CG1 VAL A 66 -1.646 1.876 6.481 1.00 1.26 C ATOM 1012 CG2 VAL A 66 -1.562 2.104 5.434 1.00 1.28 C ATOM 0 H VAL A 66 -3.456 4.322 6.640 1.00 0.65 H new ATOM 0 HA VAL A 66 -3.928 2.434 4.689 1.00 0.71 H new ATOM 0 HB VAL A 66 -2.762 3.254 6.109 1.00 0.91 H new ATOM 0 HG11 VAL A 66 -0.617 2.120 6.215 1.00 1.26 H new ATOM 0 HG12 VAL A 66 -1.829 2.157 7.518 1.00 1.26 H new ATOM 0 HG13 VAL A 66 -1.807 0.805 6.361 1.00 1.26 H new ATOM 0 HG21 VAL A 66 -0.630 2.144 5.997 1.00 1.28 H new ATOM 0 HG22 VAL A 66 -1.721 1.090 5.066 1.00 1.28 H new ATOM 0 HG23 VAL A 66 -1.506 2.792 4.590 1.00 1.28 H new ATOM 1022 N ALA A 67 -4.573 0.214 5.733 1.00 0.66 N ATOM 1023 CA ALA A 67 -5.231 -0.955 6.269 1.00 0.68 C ATOM 1024 C ALA A 67 -4.338 -1.703 7.220 1.00 0.64 C ATOM 1025 O ALA A 67 -3.176 -1.455 7.288 1.00 0.72 O ATOM 1026 CB ALA A 67 -5.673 -1.860 5.163 1.00 0.73 C ATOM 0 H ALA A 67 -4.257 0.108 4.769 1.00 0.66 H new ATOM 0 HA ALA A 67 -6.106 -0.615 6.824 1.00 0.68 H new ATOM 0 HB1 ALA A 67 -6.167 -2.736 5.585 1.00 0.73 H new ATOM 0 HB2 ALA A 67 -6.369 -1.328 4.514 1.00 0.73 H new ATOM 0 HB3 ALA A 67 -4.806 -2.176 4.583 1.00 0.73 H new ATOM 1032 N SER A 68 -4.891 -2.619 7.953 1.00 0.68 N ATOM 1033 CA SER A 68 -4.146 -3.404 8.901 1.00 0.73 C ATOM 1034 C SER A 68 -3.750 -4.738 8.317 1.00 0.62 C ATOM 1035 O SER A 68 -4.195 -5.106 7.252 1.00 0.55 O ATOM 1036 CB SER A 68 -4.961 -3.623 10.151 1.00 0.89 C ATOM 1037 OG SER A 68 -4.947 -3.377 10.779 1.00 1.61 O ATOM 0 H SER A 68 -5.884 -2.849 7.913 1.00 0.68 H new ATOM 0 HA SER A 68 -3.239 -2.853 9.148 1.00 0.73 H new ATOM 0 HB2 SER A 68 -5.979 -3.410 9.824 1.00 0.89 H new ATOM 0 HB3 SER A 68 -4.894 -4.700 10.305 1.00 0.89 H new ATOM 0 HG SER A 68 -4.672 -2.437 10.756 1.00 1.61 H new ATOM 1043 N LYS A 69 -2.910 -5.457 9.022 1.00 0.68 N ATOM 1044 CA LYS A 69 -2.452 -6.750 8.573 1.00 0.67 C ATOM 1045 C LYS A 69 -3.616 -7.690 8.338 1.00 0.62 C ATOM 1046 O LYS A 69 -3.678 -8.360 7.326 1.00 0.59 O ATOM 1047 CB LYS A 69 -1.503 -7.354 9.585 1.00 0.80 C ATOM 1048 CG LYS A 69 -1.325 -7.866 10.084 1.00 1.44 C ATOM 1049 CD LYS A 69 -0.824 -8.521 10.916 1.00 1.74 C ATOM 1050 CE LYS A 69 -0.575 -9.121 11.463 1.00 2.39 C ATOM 1051 NZ LYS A 69 -0.239 -9.499 12.061 1.00 2.80 N ATOM 0 H LYS A 69 -2.526 -5.164 9.920 1.00 0.68 H new ATOM 0 HA LYS A 69 -1.927 -6.608 7.629 1.00 0.67 H new ATOM 0 HB2 LYS A 69 -0.627 -7.449 8.943 1.00 0.80 H new ATOM 0 HB3 LYS A 69 -1.350 -6.470 10.204 1.00 0.80 H new ATOM 0 HG2 LYS A 69 -2.279 -7.797 10.607 1.00 1.44 H new ATOM 0 HG3 LYS A 69 -1.408 -8.692 9.378 1.00 1.44 H new ATOM 0 HD2 LYS A 69 0.185 -8.348 10.541 1.00 1.74 H new ATOM 0 HD3 LYS A 69 -1.003 -7.785 11.699 1.00 1.74 H new ATOM 0 HE2 LYS A 69 -1.584 -9.464 11.691 1.00 2.39 H new ATOM 0 HE3 LYS A 69 -0.178 -9.787 10.697 1.00 2.39 H new ATOM 0 HZ1 LYS A 69 -0.550 -10.491 12.063 1.00 2.80 H new ATOM 0 HZ2 LYS A 69 0.795 -9.461 11.959 1.00 2.80 H new ATOM 0 HZ3 LYS A 69 -0.515 -9.047 12.956 1.00 2.80 H new ATOM 1065 N GLU A 70 -4.536 -7.737 9.277 1.00 0.69 N ATOM 1066 CA GLU A 70 -5.696 -8.596 9.168 1.00 0.71 C ATOM 1067 C GLU A 70 -6.576 -8.179 8.013 1.00 0.64 C ATOM 1068 O GLU A 70 -7.180 -9.009 7.355 1.00 0.67 O ATOM 1069 CB GLU A 70 -6.494 -8.574 10.454 1.00 0.85 C ATOM 1070 CG GLU A 70 -6.807 -9.359 10.958 1.00 1.41 C ATOM 1071 CD GLU A 70 -7.409 -9.495 11.812 1.00 1.82 C ATOM 1072 OE1 GLU A 70 -7.708 -9.473 12.128 1.00 2.42 O ATOM 1073 OE2 GLU A 70 -7.583 -9.624 12.166 1.00 2.20 O ATOM 0 H GLU A 70 -4.502 -7.184 10.133 1.00 0.69 H new ATOM 0 HA GLU A 70 -5.342 -9.610 8.984 1.00 0.71 H new ATOM 0 HB2 GLU A 70 -5.899 -7.992 11.158 1.00 0.85 H new ATOM 0 HB3 GLU A 70 -7.388 -7.991 10.234 1.00 0.85 H new ATOM 0 HG2 GLU A 70 -7.307 -9.961 10.200 1.00 1.41 H new ATOM 0 HG3 GLU A 70 -5.883 -9.876 11.217 1.00 1.41 H new ATOM 1080 N GLU A 71 -6.645 -6.887 7.772 1.00 0.61 N ATOM 1081 CA GLU A 71 -7.453 -6.358 6.698 1.00 0.62 C ATOM 1082 C GLU A 71 -6.909 -6.780 5.357 1.00 0.63 C ATOM 1083 O GLU A 71 -7.654 -7.192 4.482 1.00 0.69 O ATOM 1084 CB GLU A 71 -7.506 -4.851 6.780 1.00 0.69 C ATOM 1085 CG GLU A 71 -8.675 -4.283 6.985 1.00 0.93 C ATOM 1086 CD GLU A 71 -9.481 -4.102 7.480 1.00 1.29 C ATOM 1087 OE1 GLU A 71 -9.822 -4.060 7.720 1.00 1.95 O ATOM 1088 OE2 GLU A 71 -9.772 -4.003 7.628 1.00 1.94 O ATOM 0 H GLU A 71 -6.146 -6.180 8.312 1.00 0.61 H new ATOM 0 HA GLU A 71 -8.461 -6.759 6.802 1.00 0.62 H new ATOM 0 HB2 GLU A 71 -6.837 -4.537 7.581 1.00 0.69 H new ATOM 0 HB3 GLU A 71 -7.099 -4.452 5.851 1.00 0.69 H new ATOM 0 HG2 GLU A 71 -8.355 -3.249 6.853 1.00 0.93 H new ATOM 0 HG3 GLU A 71 -9.148 -4.592 6.053 1.00 0.93 H new ATOM 1095 N ILE A 72 -5.608 -6.673 5.201 1.00 0.64 N ATOM 1096 CA ILE A 72 -4.969 -7.043 3.965 1.00 0.74 C ATOM 1097 C ILE A 72 -5.165 -8.505 3.671 1.00 0.79 C ATOM 1098 O ILE A 72 -5.576 -8.868 2.587 1.00 0.91 O ATOM 1099 CB ILE A 72 -3.474 -6.724 3.995 1.00 0.80 C ATOM 1100 CG1 ILE A 72 -3.077 -5.828 3.651 1.00 1.13 C ATOM 1101 CG2 ILE A 72 -2.747 -7.300 3.535 1.00 1.07 C ATOM 1102 CD1 ILE A 72 -2.742 -5.425 3.220 1.00 1.64 C ATOM 0 H ILE A 72 -4.972 -6.330 5.921 1.00 0.64 H new ATOM 0 HA ILE A 72 -5.437 -6.456 3.174 1.00 0.74 H new ATOM 0 HB ILE A 72 -3.618 -6.856 5.067 1.00 0.80 H new ATOM 0 HG12 ILE A 72 -3.997 -5.245 3.696 1.00 1.13 H new ATOM 0 HG13 ILE A 72 -2.501 -5.583 4.543 1.00 1.13 H new ATOM 0 HG21 ILE A 72 -1.767 -6.855 3.708 1.00 1.07 H new ATOM 0 HG22 ILE A 72 -2.766 -8.308 3.949 1.00 1.07 H new ATOM 0 HG23 ILE A 72 -2.942 -7.344 2.463 1.00 1.07 H new ATOM 0 HD11 ILE A 72 -2.732 -4.406 3.608 1.00 1.64 H new ATOM 0 HD12 ILE A 72 -1.718 -5.782 3.110 1.00 1.64 H new ATOM 0 HD13 ILE A 72 -3.238 -5.439 2.249 1.00 1.64 H new ATOM 1114 N LYS A 73 -4.870 -9.339 4.643 1.00 0.78 N ATOM 1115 CA LYS A 73 -5.016 -10.761 4.486 1.00 0.90 C ATOM 1116 C LYS A 73 -6.448 -11.122 4.160 1.00 0.96 C ATOM 1117 O LYS A 73 -6.703 -12.044 3.411 1.00 1.09 O ATOM 1118 CB LYS A 73 -4.573 -11.475 5.746 1.00 0.93 C ATOM 1119 CG LYS A 73 -4.057 -12.788 5.542 1.00 1.13 C ATOM 1120 CD LYS A 73 -3.608 -13.506 6.276 1.00 1.21 C ATOM 1121 CE LYS A 73 -3.350 -14.315 6.418 1.00 1.68 C ATOM 1122 NZ LYS A 73 -3.319 -14.902 6.946 1.00 2.32 N ATOM 0 H LYS A 73 -4.524 -9.049 5.558 1.00 0.78 H new ATOM 0 HA LYS A 73 -4.384 -11.079 3.657 1.00 0.90 H new ATOM 0 HB2 LYS A 73 -3.809 -10.873 6.238 1.00 0.93 H new ATOM 0 HB3 LYS A 73 -5.420 -11.535 6.429 1.00 0.93 H new ATOM 0 HG2 LYS A 73 -4.880 -13.339 5.088 1.00 1.13 H new ATOM 0 HG3 LYS A 73 -3.293 -12.666 4.774 1.00 1.13 H new ATOM 0 HD2 LYS A 73 -2.695 -12.969 6.531 1.00 1.21 H new ATOM 0 HD3 LYS A 73 -4.297 -13.378 7.111 1.00 1.21 H new ATOM 0 HE2 LYS A 73 -3.842 -14.824 5.590 1.00 1.68 H new ATOM 0 HE3 LYS A 73 -2.295 -14.231 6.158 1.00 1.68 H new ATOM 0 HZ1 LYS A 73 -2.626 -15.612 6.635 1.00 2.32 H new ATOM 0 HZ2 LYS A 73 -3.034 -14.522 7.871 1.00 2.32 H new ATOM 0 HZ3 LYS A 73 -4.256 -15.345 7.028 1.00 2.32 H new ATOM 1136 N LYS A 74 -7.380 -10.388 4.727 1.00 0.89 N ATOM 1137 CA LYS A 74 -8.787 -10.630 4.497 1.00 0.97 C ATOM 1138 C LYS A 74 -9.188 -10.219 3.106 1.00 1.03 C ATOM 1139 O LYS A 74 -10.051 -10.826 2.503 1.00 1.16 O ATOM 1140 CB LYS A 74 -9.624 -9.893 5.510 1.00 0.93 C ATOM 1141 CG LYS A 74 -10.410 -10.405 6.174 1.00 1.21 C ATOM 1142 CD LYS A 74 -11.158 -10.253 6.635 1.00 1.71 C ATOM 1143 CE LYS A 74 -11.994 -10.604 7.142 1.00 2.08 C ATOM 1144 NZ LYS A 74 -12.614 -10.641 7.452 1.00 2.62 N ATOM 0 H LYS A 74 -7.185 -9.610 5.358 1.00 0.89 H new ATOM 0 HA LYS A 74 -8.961 -11.701 4.604 1.00 0.97 H new ATOM 0 HB2 LYS A 74 -8.925 -9.400 6.186 1.00 0.93 H new ATOM 0 HB3 LYS A 74 -10.147 -9.108 4.964 1.00 0.93 H new ATOM 0 HG2 LYS A 74 -10.729 -11.221 5.525 1.00 1.21 H new ATOM 0 HG3 LYS A 74 -9.776 -10.841 6.946 1.00 1.21 H new ATOM 0 HD2 LYS A 74 -10.743 -9.619 7.419 1.00 1.71 H new ATOM 0 HD3 LYS A 74 -11.659 -9.595 5.925 1.00 1.71 H new ATOM 0 HE2 LYS A 74 -12.171 -11.443 6.469 1.00 2.08 H new ATOM 0 HE3 LYS A 74 -11.436 -10.992 7.994 1.00 2.08 H new ATOM 0 HZ1 LYS A 74 -12.717 -11.568 7.913 1.00 2.62 H new ATOM 0 HZ2 LYS A 74 -12.691 -9.889 8.166 1.00 2.62 H new ATOM 0 HZ3 LYS A 74 -13.365 -10.522 6.742 1.00 2.62 H new ATOM 1158 N ILE A 75 -8.552 -9.189 2.601 1.00 0.99 N ATOM 1159 CA ILE A 75 -8.838 -8.704 1.282 1.00 1.11 C ATOM 1160 C ILE A 75 -8.224 -9.602 0.250 1.00 1.21 C ATOM 1161 O ILE A 75 -8.774 -9.789 -0.810 1.00 1.36 O ATOM 1162 CB ILE A 75 -8.325 -7.280 1.093 1.00 1.11 C ATOM 1163 CG1 ILE A 75 -9.283 -6.332 1.312 1.00 1.26 C ATOM 1164 CG2 ILE A 75 -7.803 -7.046 -0.128 1.00 1.37 C ATOM 1165 CD1 ILE A 75 -9.631 -5.655 1.567 1.00 1.54 C ATOM 0 H ILE A 75 -7.826 -8.669 3.094 1.00 0.99 H new ATOM 0 HA ILE A 75 -9.921 -8.700 1.159 1.00 1.11 H new ATOM 0 HB ILE A 75 -7.539 -7.201 1.844 1.00 1.11 H new ATOM 0 HG12 ILE A 75 -9.567 -6.217 0.266 1.00 1.26 H new ATOM 0 HG13 ILE A 75 -10.007 -7.008 1.766 1.00 1.26 H new ATOM 0 HG21 ILE A 75 -7.460 -6.013 -0.185 1.00 1.37 H new ATOM 0 HG22 ILE A 75 -6.962 -7.718 -0.299 1.00 1.37 H new ATOM 0 HG23 ILE A 75 -8.565 -7.218 -0.888 1.00 1.37 H new ATOM 0 HD11 ILE A 75 -10.678 -5.648 1.264 1.00 1.54 H new ATOM 0 HD12 ILE A 75 -9.568 -5.600 2.654 1.00 1.54 H new ATOM 0 HD13 ILE A 75 -9.121 -4.797 1.130 1.00 1.54 H new ATOM 1177 N LEU A 76 -7.077 -10.153 0.571 1.00 1.16 N ATOM 1178 CA LEU A 76 -6.383 -11.030 -0.324 1.00 1.28 C ATOM 1179 C LEU A 76 -6.966 -12.402 -0.313 1.00 1.37 C ATOM 1180 O LEU A 76 -7.012 -13.042 -1.282 1.00 1.56 O ATOM 1181 CB LEU A 76 -4.933 -11.089 0.027 1.00 1.25 C ATOM 1182 CG LEU A 76 -4.129 -10.610 -0.699 1.00 1.74 C ATOM 1183 CD1 LEU A 76 -3.739 -10.611 -0.876 1.00 2.61 C ATOM 1184 CD2 LEU A 76 -3.818 -10.376 -1.208 1.00 2.28 C ATOM 0 H LEU A 76 -6.604 -10.002 1.462 1.00 1.16 H new ATOM 0 HA LEU A 76 -6.494 -10.627 -1.331 1.00 1.28 H new ATOM 0 HB2 LEU A 76 -4.815 -10.613 1.001 1.00 1.25 H new ATOM 0 HB3 LEU A 76 -4.672 -12.140 0.152 1.00 1.25 H new ATOM 0 HG LEU A 76 -4.967 -10.561 -0.004 1.00 1.74 H new ATOM 0 HD11 LEU A 76 -3.645 -9.763 -1.555 1.00 2.61 H new ATOM 0 HD12 LEU A 76 -2.984 -10.534 -0.093 1.00 2.61 H new ATOM 0 HD13 LEU A 76 -3.594 -11.538 -1.431 1.00 2.61 H new ATOM 0 HD21 LEU A 76 -2.826 -10.041 -0.906 1.00 2.28 H new ATOM 0 HD22 LEU A 76 -3.723 -11.154 -1.966 1.00 2.28 H new ATOM 0 HD23 LEU A 76 -4.375 -9.535 -1.620 1.00 2.28 H new ATOM 1196 N SER A 77 -7.409 -12.848 0.790 1.00 1.36 N ATOM 1197 CA SER A 77 -7.989 -14.144 0.927 1.00 1.50 C ATOM 1198 C SER A 77 -8.299 -14.551 0.969 1.00 2.10 C ATOM 1199 O SER A 77 -8.329 -14.602 1.037 1.00 2.71 O ATOM 1200 CB SER A 77 -8.149 -14.673 1.088 1.00 2.02 C ATOM 1201 OG SER A 77 -8.603 -14.915 1.255 1.00 2.57 O ATOM 1202 OXT SER A 77 -8.508 -14.814 0.935 1.00 2.77 O ATOM 0 H SER A 77 -7.384 -12.315 1.659 1.00 1.36 H new ATOM 0 HA SER A 77 -7.455 -13.242 0.629 1.00 1.50 H new ATOM 0 HB2 SER A 77 -7.857 -15.281 0.232 1.00 2.02 H new ATOM 0 HB3 SER A 77 -7.449 -14.898 1.893 1.00 2.02 H new ATOM 0 HG SER A 77 -8.391 -15.810 1.593 1.00 2.57 H new TER 1208 SER A 77