USER MOD reduce.3.24.130724 H: found=0, std=0, add=309, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 308 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 GLY N :NH3+ 143:sc= 0.0232 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0369) USER MOD Single : A 9 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00873) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.0806 K(o=0.081,f=-3.6!) USER MOD Single : A 19 LYS NZ :NH3+ -120:sc= -0.0084 (180deg=-0.743) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 173:sc= 0 (180deg=-0.0537) USER MOD Single : A 30 ASN : amide:sc= -0.269 K(o=-0.27,f=-1.6) USER MOD Single : A 32 LYS NZ :NH3+ -171:sc= -0.034 (180deg=-0.202) USER MOD Single : A 34 HIS : no HD1:sc= -0.641 X(o=-0.64,f=-0.19) USER MOD Single : A 36 THR OG1 : rot 7:sc= 0.608 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.608 -8.240 5.116 1.00 0.00 N ATOM 2 CA GLY A 1 6.520 -7.249 4.034 1.00 0.00 C ATOM 3 C GLY A 1 5.912 -7.887 2.808 1.00 0.00 C ATOM 4 O GLY A 1 6.356 -8.971 2.463 1.00 0.00 O ATOM 0 H1 GLY A 1 7.485 -8.089 5.655 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.790 -8.136 5.750 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.611 -9.198 4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.914 -6.401 4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.512 -6.862 3.801 1.00 0.00 H new ATOM 10 N VAL A 2 4.922 -7.241 2.144 1.00 0.00 N ATOM 11 CA VAL A 2 4.336 -7.796 0.923 1.00 0.00 C ATOM 12 C VAL A 2 4.440 -6.718 -0.130 1.00 0.00 C ATOM 13 O VAL A 2 3.938 -5.637 0.131 1.00 0.00 O ATOM 14 CB VAL A 2 2.847 -8.182 1.155 1.00 0.00 C ATOM 15 CG1 VAL A 2 2.193 -8.682 -0.163 1.00 0.00 C ATOM 16 CG2 VAL A 2 2.738 -9.265 2.263 1.00 0.00 C ATOM 0 H VAL A 2 4.525 -6.348 2.437 1.00 0.00 H new ATOM 0 HA VAL A 2 4.859 -8.702 0.616 1.00 0.00 H new ATOM 0 HB VAL A 2 2.309 -7.292 1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.152 -8.946 0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.238 -7.893 -0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.730 -9.559 -0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.691 -9.526 2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.293 -10.153 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.154 -8.877 3.193 1.00 0.00 H new ATOM 26 N ILE A 3 5.075 -6.968 -1.301 1.00 0.00 N ATOM 27 CA ILE A 3 5.172 -5.934 -2.328 1.00 0.00 C ATOM 28 C ILE A 3 4.041 -6.221 -3.292 1.00 0.00 C ATOM 29 O ILE A 3 3.775 -7.394 -3.500 1.00 0.00 O ATOM 30 CB ILE A 3 6.550 -5.956 -3.058 1.00 0.00 C ATOM 31 CG1 ILE A 3 7.738 -5.592 -2.112 1.00 0.00 C ATOM 32 CG2 ILE A 3 6.547 -4.969 -4.262 1.00 0.00 C ATOM 33 CD1 ILE A 3 7.982 -6.578 -0.938 1.00 0.00 C ATOM 0 H ILE A 3 5.513 -7.857 -1.543 1.00 0.00 H new ATOM 0 HA ILE A 3 5.096 -4.939 -1.889 1.00 0.00 H new ATOM 0 HB ILE A 3 6.695 -6.979 -3.407 1.00 0.00 H new ATOM 0 HG12 ILE A 3 8.649 -5.531 -2.708 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.560 -4.599 -1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.517 -4.998 -4.759 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.769 -5.259 -4.968 1.00 0.00 H new ATOM 0 HG23 ILE A 3 6.353 -3.958 -3.903 1.00 0.00 H new ATOM 0 HD11 ILE A 3 8.828 -6.233 -0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 3 7.092 -6.624 -0.310 1.00 0.00 H new ATOM 0 HD13 ILE A 3 8.198 -7.570 -1.335 1.00 0.00 H new ATOM 45 N ILE A 4 3.389 -5.196 -3.885 1.00 0.00 N ATOM 46 CA ILE A 4 2.369 -5.427 -4.907 1.00 0.00 C ATOM 47 C ILE A 4 2.765 -4.613 -6.114 1.00 0.00 C ATOM 48 O ILE A 4 3.268 -3.515 -5.921 1.00 0.00 O ATOM 49 CB ILE A 4 0.925 -5.122 -4.409 1.00 0.00 C ATOM 50 CG1 ILE A 4 0.704 -3.607 -4.104 1.00 0.00 C ATOM 51 CG2 ILE A 4 0.622 -5.998 -3.164 1.00 0.00 C ATOM 52 CD1 ILE A 4 -0.750 -3.271 -3.670 1.00 0.00 C ATOM 0 H ILE A 4 3.556 -4.213 -3.669 1.00 0.00 H new ATOM 0 HA ILE A 4 2.330 -6.485 -5.166 1.00 0.00 H new ATOM 0 HB ILE A 4 0.228 -5.370 -5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.391 -3.299 -3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.954 -3.025 -4.991 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.388 -5.790 -2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.703 -7.051 -3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.338 -5.769 -2.375 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.833 -2.202 -3.474 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.441 -3.549 -4.466 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.997 -3.826 -2.765 1.00 0.00 H new ATOM 64 N ASN A 5 2.575 -5.137 -7.351 1.00 0.00 N ATOM 65 CA ASN A 5 3.096 -4.457 -8.535 1.00 0.00 C ATOM 66 C ASN A 5 1.970 -3.721 -9.217 1.00 0.00 C ATOM 67 O ASN A 5 1.604 -4.097 -10.320 1.00 0.00 O ATOM 68 CB ASN A 5 3.771 -5.529 -9.437 1.00 0.00 C ATOM 69 CG ASN A 5 4.773 -6.303 -8.609 1.00 0.00 C ATOM 70 OD1 ASN A 5 4.536 -7.465 -8.314 1.00 0.00 O ATOM 71 ND2 ASN A 5 5.901 -5.679 -8.206 1.00 0.00 N ATOM 0 H ASN A 5 2.076 -6.007 -7.540 1.00 0.00 H new ATOM 0 HA ASN A 5 3.848 -3.708 -8.286 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.020 -6.204 -9.848 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.268 -5.052 -10.282 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.585 -6.179 -7.638 1.00 0.00 H new ATOM 0 HD22 ASN A 5 6.069 -4.708 -8.470 1.00 0.00 H new ATOM 78 N VAL A 6 1.414 -2.668 -8.569 1.00 0.00 N ATOM 79 CA VAL A 6 0.284 -1.935 -9.148 1.00 0.00 C ATOM 80 C VAL A 6 0.739 -0.548 -9.541 1.00 0.00 C ATOM 81 O VAL A 6 1.543 0.009 -8.811 1.00 0.00 O ATOM 82 CB VAL A 6 -0.880 -1.871 -8.117 1.00 0.00 C ATOM 83 CG1 VAL A 6 -2.095 -1.076 -8.675 1.00 0.00 C ATOM 84 CG2 VAL A 6 -1.314 -3.309 -7.717 1.00 0.00 C ATOM 0 H VAL A 6 1.729 -2.320 -7.663 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.078 -2.448 -10.039 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.519 -1.345 -7.234 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.888 -1.052 -7.928 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.787 -0.057 -8.909 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.463 -1.561 -9.579 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.129 -3.256 -6.995 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.649 -3.848 -8.603 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.469 -3.834 -7.272 1.00 0.00 H new ATOM 94 N LYS A 7 0.246 0.032 -10.666 1.00 0.00 N ATOM 95 CA LYS A 7 0.644 1.392 -11.027 1.00 0.00 C ATOM 96 C LYS A 7 -0.049 2.322 -10.053 1.00 0.00 C ATOM 97 O LYS A 7 -1.107 2.838 -10.375 1.00 0.00 O ATOM 98 CB LYS A 7 0.294 1.754 -12.499 1.00 0.00 C ATOM 99 CG LYS A 7 1.085 0.885 -13.513 1.00 0.00 C ATOM 100 CD LYS A 7 1.050 1.429 -14.971 1.00 0.00 C ATOM 101 CE LYS A 7 -0.370 1.554 -15.595 1.00 0.00 C ATOM 102 NZ LYS A 7 -1.024 2.857 -15.349 1.00 0.00 N ATOM 0 H LYS A 7 -0.406 -0.414 -11.311 1.00 0.00 H new ATOM 0 HA LYS A 7 1.728 1.487 -10.963 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.775 1.619 -12.662 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.513 2.807 -12.676 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.123 0.816 -13.186 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.680 -0.127 -13.503 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.525 2.410 -14.988 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.651 0.773 -15.601 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.298 1.393 -16.671 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.002 0.761 -15.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.883 2.929 -15.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.279 2.933 -14.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.371 3.626 -15.600 1.00 0.00 H new ATOM 116 N CYS A 8 0.541 2.535 -8.856 1.00 0.00 N ATOM 117 CA CYS A 8 -0.076 3.402 -7.858 1.00 0.00 C ATOM 118 C CYS A 8 0.332 4.833 -8.082 1.00 0.00 C ATOM 119 O CYS A 8 1.355 5.058 -8.710 1.00 0.00 O ATOM 120 CB CYS A 8 0.351 3.023 -6.418 1.00 0.00 C ATOM 121 SG CYS A 8 2.138 3.266 -6.099 1.00 0.00 S ATOM 0 H CYS A 8 1.429 2.121 -8.571 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.154 3.278 -7.965 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.221 3.621 -5.709 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.096 1.979 -6.234 1.00 0.00 H new ATOM 126 N LYS A 9 -0.464 5.790 -7.545 1.00 0.00 N ATOM 127 CA LYS A 9 -0.123 7.210 -7.621 1.00 0.00 C ATOM 128 C LYS A 9 -0.031 7.822 -6.244 1.00 0.00 C ATOM 129 O LYS A 9 0.937 8.534 -6.000 1.00 0.00 O ATOM 130 CB LYS A 9 -1.197 7.919 -8.490 1.00 0.00 C ATOM 131 CG LYS A 9 -0.858 9.416 -8.726 1.00 0.00 C ATOM 132 CD LYS A 9 -1.936 10.112 -9.601 1.00 0.00 C ATOM 133 CE LYS A 9 -1.643 11.624 -9.807 1.00 0.00 C ATOM 134 NZ LYS A 9 -1.730 12.406 -8.556 1.00 0.00 N ATOM 0 H LYS A 9 -1.339 5.594 -7.060 1.00 0.00 H new ATOM 0 HA LYS A 9 0.858 7.334 -8.080 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.280 7.410 -9.450 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.168 7.840 -8.002 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.780 9.928 -7.767 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.115 9.498 -9.211 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.987 9.619 -10.572 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.913 9.994 -9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.646 11.740 -10.233 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.349 12.029 -10.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.575 13.413 -8.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.672 12.281 -8.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.004 12.075 -7.889 1.00 0.00 H new ATOM 148 N ILE A 10 -1.022 7.583 -5.334 1.00 0.00 N ATOM 149 CA ILE A 10 -1.028 8.203 -4.008 1.00 0.00 C ATOM 150 C ILE A 10 -0.987 7.192 -2.854 1.00 0.00 C ATOM 151 O ILE A 10 -1.539 6.094 -2.888 1.00 0.00 O ATOM 152 CB ILE A 10 -2.192 9.247 -3.855 1.00 0.00 C ATOM 153 CG1 ILE A 10 -3.547 8.679 -4.374 1.00 0.00 C ATOM 154 CG2 ILE A 10 -1.850 10.602 -4.563 1.00 0.00 C ATOM 155 CD1 ILE A 10 -4.808 9.406 -3.827 1.00 0.00 C ATOM 0 H ILE A 10 -1.815 6.966 -5.510 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.091 8.754 -3.933 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.300 9.445 -2.789 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.556 8.735 -5.463 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.609 7.624 -4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.679 11.298 -4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.948 11.026 -4.121 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.685 10.426 -5.626 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.703 8.943 -4.242 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.830 9.329 -2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.776 10.457 -4.115 1.00 0.00 H new ATOM 167 N SER A 11 -0.288 7.595 -1.769 1.00 0.00 N ATOM 168 CA SER A 11 -0.084 6.705 -0.629 1.00 0.00 C ATOM 169 C SER A 11 -1.425 6.304 -0.079 1.00 0.00 C ATOM 170 O SER A 11 -1.589 5.143 0.262 1.00 0.00 O ATOM 171 CB SER A 11 0.735 7.400 0.495 1.00 0.00 C ATOM 172 OG SER A 11 1.882 8.076 -0.045 1.00 0.00 O ATOM 0 H SER A 11 0.134 8.518 -1.669 1.00 0.00 H new ATOM 0 HA SER A 11 0.474 5.832 -0.969 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.102 8.114 1.022 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.057 6.659 1.227 1.00 0.00 H new ATOM 0 HG SER A 11 2.380 8.507 0.681 1.00 0.00 H new ATOM 178 N ARG A 12 -2.404 7.231 0.014 1.00 0.00 N ATOM 179 CA ARG A 12 -3.704 6.868 0.579 1.00 0.00 C ATOM 180 C ARG A 12 -4.446 5.867 -0.285 1.00 0.00 C ATOM 181 O ARG A 12 -5.126 5.023 0.278 1.00 0.00 O ATOM 182 CB ARG A 12 -4.546 8.155 0.821 1.00 0.00 C ATOM 183 CG ARG A 12 -5.934 7.873 1.478 1.00 0.00 C ATOM 184 CD ARG A 12 -7.106 8.070 0.474 1.00 0.00 C ATOM 185 NE ARG A 12 -8.379 7.625 1.047 1.00 0.00 N ATOM 186 CZ ARG A 12 -9.552 7.919 0.541 1.00 0.00 C ATOM 187 NH1 ARG A 12 -9.741 8.613 -0.555 1.00 0.00 N ATOM 188 NH2 ARG A 12 -10.580 7.462 1.208 1.00 0.00 N ATOM 0 H ARG A 12 -2.317 8.202 -0.286 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.535 6.373 1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.982 8.835 1.459 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.699 8.664 -0.130 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.953 6.853 1.861 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.073 8.537 2.331 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.177 9.122 0.197 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.902 7.513 -0.440 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.351 7.052 1.890 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.941 8.967 -1.079 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.688 8.799 -0.884 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.435 6.918 2.059 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.527 7.649 0.877 1.00 0.00 H new ATOM 202 N GLN A 13 -4.353 5.891 -1.634 1.00 0.00 N ATOM 203 CA GLN A 13 -5.121 4.918 -2.417 1.00 0.00 C ATOM 204 C GLN A 13 -4.561 3.526 -2.247 1.00 0.00 C ATOM 205 O GLN A 13 -5.348 2.608 -2.413 1.00 0.00 O ATOM 206 CB GLN A 13 -5.308 5.188 -3.939 1.00 0.00 C ATOM 207 CG GLN A 13 -4.100 4.725 -4.804 1.00 0.00 C ATOM 208 CD GLN A 13 -4.272 5.133 -6.246 1.00 0.00 C ATOM 209 OE1 GLN A 13 -3.550 6.015 -6.687 1.00 0.00 O ATOM 210 NE2 GLN A 13 -5.205 4.517 -6.999 1.00 0.00 N ATOM 0 H GLN A 13 -3.782 6.541 -2.174 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.118 5.027 -1.991 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.208 4.678 -4.283 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.468 6.255 -4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.180 5.156 -4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.998 3.642 -4.740 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.787 3.785 -6.592 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.329 4.783 -7.976 1.00 0.00 H new ATOM 219 N CYS A 14 -3.253 3.334 -1.939 1.00 0.00 N ATOM 220 CA CYS A 14 -2.813 1.983 -1.542 1.00 0.00 C ATOM 221 C CYS A 14 -3.030 1.689 -0.068 1.00 0.00 C ATOM 222 O CYS A 14 -2.989 0.530 0.319 1.00 0.00 O ATOM 223 CB CYS A 14 -1.322 1.720 -1.816 1.00 0.00 C ATOM 224 SG CYS A 14 -0.991 1.769 -3.588 1.00 0.00 S ATOM 0 H CYS A 14 -2.528 4.051 -1.956 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.435 1.334 -2.158 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.714 2.467 -1.305 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.037 0.748 -1.413 1.00 0.00 H new ATOM 229 N LEU A 15 -3.254 2.709 0.788 1.00 0.00 N ATOM 230 CA LEU A 15 -3.576 2.454 2.183 1.00 0.00 C ATOM 231 C LEU A 15 -4.922 1.765 2.210 1.00 0.00 C ATOM 232 O LEU A 15 -5.071 0.885 3.043 1.00 0.00 O ATOM 233 CB LEU A 15 -3.554 3.785 2.984 1.00 0.00 C ATOM 234 CG LEU A 15 -4.001 3.688 4.464 1.00 0.00 C ATOM 235 CD1 LEU A 15 -3.230 2.602 5.265 1.00 0.00 C ATOM 236 CD2 LEU A 15 -3.842 5.072 5.153 1.00 0.00 C ATOM 0 H LEU A 15 -3.216 3.695 0.531 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.841 1.807 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.542 4.188 2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.197 4.504 2.476 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.049 3.388 4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.590 2.585 6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.394 1.627 4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.165 2.832 5.257 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.158 4.999 6.194 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.798 5.381 5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.459 5.808 4.638 1.00 0.00 H new ATOM 248 N GLU A 16 -5.915 2.085 1.346 1.00 0.00 N ATOM 249 CA GLU A 16 -7.187 1.346 1.411 1.00 0.00 C ATOM 250 C GLU A 16 -7.034 -0.167 1.253 1.00 0.00 C ATOM 251 O GLU A 16 -7.444 -0.860 2.169 1.00 0.00 O ATOM 252 CB GLU A 16 -8.308 1.907 0.487 1.00 0.00 C ATOM 253 CG GLU A 16 -8.929 3.234 1.023 1.00 0.00 C ATOM 254 CD GLU A 16 -7.907 4.293 1.356 1.00 0.00 C ATOM 255 OE1 GLU A 16 -7.274 4.203 2.444 1.00 0.00 O ATOM 256 OE2 GLU A 16 -7.735 5.234 0.541 1.00 0.00 O ATOM 0 H GLU A 16 -5.863 2.812 0.633 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.524 1.522 2.433 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.899 2.079 -0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.095 1.159 0.383 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.618 3.629 0.277 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.516 3.015 1.915 1.00 0.00 H new ATOM 263 N PRO A 17 -6.494 -0.799 0.185 1.00 0.00 N ATOM 264 CA PRO A 17 -6.422 -2.259 0.164 1.00 0.00 C ATOM 265 C PRO A 17 -5.472 -2.803 1.212 1.00 0.00 C ATOM 266 O PRO A 17 -5.719 -3.903 1.683 1.00 0.00 O ATOM 267 CB PRO A 17 -5.930 -2.502 -1.286 1.00 0.00 C ATOM 268 CG PRO A 17 -5.163 -1.209 -1.650 1.00 0.00 C ATOM 269 CD PRO A 17 -6.007 -0.094 -0.985 1.00 0.00 C ATOM 0 HA PRO A 17 -7.358 -2.764 0.404 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.284 -3.378 -1.346 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.764 -2.674 -1.966 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.143 -1.225 -1.266 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.095 -1.072 -2.729 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.409 0.780 -0.725 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.816 0.253 -1.627 1.00 0.00 H new ATOM 277 N CYS A 18 -4.396 -2.082 1.610 1.00 0.00 N ATOM 278 CA CYS A 18 -3.489 -2.640 2.614 1.00 0.00 C ATOM 279 C CYS A 18 -4.240 -2.807 3.927 1.00 0.00 C ATOM 280 O CYS A 18 -4.233 -3.878 4.522 1.00 0.00 O ATOM 281 CB CYS A 18 -2.222 -1.757 2.820 1.00 0.00 C ATOM 282 SG CYS A 18 -1.162 -1.508 1.349 1.00 0.00 S ATOM 0 H CYS A 18 -4.150 -1.155 1.264 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.142 -3.610 2.257 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.541 -0.779 3.182 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.616 -2.206 3.607 1.00 0.00 H new ATOM 287 N LYS A 19 -4.904 -1.746 4.440 1.00 0.00 N ATOM 288 CA LYS A 19 -5.641 -1.860 5.698 1.00 0.00 C ATOM 289 C LYS A 19 -6.753 -2.876 5.551 1.00 0.00 C ATOM 290 O LYS A 19 -7.032 -3.579 6.509 1.00 0.00 O ATOM 291 CB LYS A 19 -6.203 -0.507 6.233 1.00 0.00 C ATOM 292 CG LYS A 19 -7.414 0.029 5.426 1.00 0.00 C ATOM 293 CD LYS A 19 -7.791 1.511 5.710 1.00 0.00 C ATOM 294 CE LYS A 19 -8.222 1.811 7.173 1.00 0.00 C ATOM 295 NZ LYS A 19 -7.094 1.952 8.116 1.00 0.00 N ATOM 0 H LYS A 19 -4.939 -0.824 4.006 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.921 -2.194 6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.499 -0.633 7.274 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.408 0.238 6.216 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.198 -0.078 4.363 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.280 -0.598 5.640 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.937 2.141 5.462 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.603 1.798 5.042 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.810 2.729 7.186 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.874 1.010 7.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.176 1.235 8.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.197 1.820 7.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.114 2.901 8.542 1.00 0.00 H new ATOM 309 N LYS A 20 -7.404 -2.964 4.365 1.00 0.00 N ATOM 310 CA LYS A 20 -8.546 -3.865 4.221 1.00 0.00 C ATOM 311 C LYS A 20 -8.117 -5.288 4.495 1.00 0.00 C ATOM 312 O LYS A 20 -8.786 -5.968 5.257 1.00 0.00 O ATOM 313 CB LYS A 20 -9.191 -3.772 2.808 1.00 0.00 C ATOM 314 CG LYS A 20 -10.568 -4.492 2.738 1.00 0.00 C ATOM 315 CD LYS A 20 -11.246 -4.378 1.340 1.00 0.00 C ATOM 316 CE LYS A 20 -10.650 -5.311 0.249 1.00 0.00 C ATOM 317 NZ LYS A 20 -11.075 -6.714 0.442 1.00 0.00 N ATOM 0 H LYS A 20 -7.160 -2.436 3.527 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.298 -3.558 4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.318 -2.724 2.537 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.516 -4.212 2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.434 -5.545 2.985 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.231 -4.069 3.493 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.308 -4.600 1.447 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.169 -3.346 0.997 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.965 -4.967 -0.736 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.562 -5.253 0.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.659 -7.308 -0.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.753 -7.049 1.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.112 -6.772 0.393 1.00 0.00 H new ATOM 331 N ALA A 21 -7.005 -5.759 3.883 1.00 0.00 N ATOM 332 CA ALA A 21 -6.577 -7.138 4.114 1.00 0.00 C ATOM 333 C ALA A 21 -6.263 -7.320 5.585 1.00 0.00 C ATOM 334 O ALA A 21 -6.869 -8.165 6.224 1.00 0.00 O ATOM 335 CB ALA A 21 -5.356 -7.522 3.235 1.00 0.00 C ATOM 0 H ALA A 21 -6.414 -5.220 3.250 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.390 -7.806 3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.071 -8.554 3.439 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.619 -7.419 2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.519 -6.863 3.466 1.00 0.00 H new ATOM 341 N GLY A 22 -5.320 -6.518 6.131 1.00 0.00 N ATOM 342 CA GLY A 22 -5.010 -6.582 7.564 1.00 0.00 C ATOM 343 C GLY A 22 -3.632 -6.039 7.886 1.00 0.00 C ATOM 344 O GLY A 22 -2.848 -6.710 8.543 1.00 0.00 O ATOM 0 H GLY A 22 -4.774 -5.834 5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.758 -6.017 8.120 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.077 -7.617 7.901 1.00 0.00 H new ATOM 348 N MET A 23 -3.326 -4.811 7.403 1.00 0.00 N ATOM 349 CA MET A 23 -1.981 -4.255 7.513 1.00 0.00 C ATOM 350 C MET A 23 -1.904 -3.132 8.513 1.00 0.00 C ATOM 351 O MET A 23 -2.920 -2.517 8.795 1.00 0.00 O ATOM 352 CB MET A 23 -1.528 -3.693 6.140 1.00 0.00 C ATOM 353 CG MET A 23 -1.274 -4.788 5.061 1.00 0.00 C ATOM 354 SD MET A 23 -2.052 -6.412 5.332 1.00 0.00 S ATOM 355 CE MET A 23 -1.422 -7.303 3.875 1.00 0.00 C ATOM 0 H MET A 23 -3.997 -4.199 6.938 1.00 0.00 H new ATOM 0 HA MET A 23 -1.335 -5.068 7.844 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.288 -3.004 5.772 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.614 -3.115 6.279 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.618 -4.404 4.101 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.198 -4.938 4.977 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.803 -8.324 3.880 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.753 -6.797 2.968 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.333 -7.322 3.903 1.00 0.00 H new ATOM 365 N ARG A 24 -0.678 -2.867 9.025 1.00 0.00 N ATOM 366 CA ARG A 24 -0.458 -1.746 9.932 1.00 0.00 C ATOM 367 C ARG A 24 0.077 -0.550 9.169 1.00 0.00 C ATOM 368 O ARG A 24 -0.118 0.545 9.675 1.00 0.00 O ATOM 369 CB ARG A 24 0.457 -2.242 11.083 1.00 0.00 C ATOM 370 CG ARG A 24 0.710 -1.184 12.191 1.00 0.00 C ATOM 371 CD ARG A 24 1.358 -1.840 13.444 1.00 0.00 C ATOM 372 NE ARG A 24 1.855 -0.844 14.398 1.00 0.00 N ATOM 373 CZ ARG A 24 1.097 -0.160 15.224 1.00 0.00 C ATOM 374 NH1 ARG A 24 -0.206 -0.264 15.322 1.00 0.00 N ATOM 375 NH2 ARG A 24 1.738 0.681 15.993 1.00 0.00 N ATOM 0 H ARG A 24 0.157 -3.416 8.820 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.387 -1.395 10.382 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.007 -3.126 11.535 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.415 -2.550 10.664 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.362 -0.399 11.808 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.231 -0.710 12.469 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.625 -2.479 13.937 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.181 -2.482 13.131 1.00 0.00 H new ATOM 0 HE ARG A 24 2.860 -0.670 14.422 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.712 -0.919 14.725 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.714 0.310 15.995 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.752 0.766 15.922 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.224 1.252 16.664 1.00 0.00 H new ATOM 389 N PHE A 25 0.711 -0.687 7.970 1.00 0.00 N ATOM 390 CA PHE A 25 1.045 0.521 7.194 1.00 0.00 C ATOM 391 C PHE A 25 1.054 0.262 5.704 1.00 0.00 C ATOM 392 O PHE A 25 1.050 -0.897 5.322 1.00 0.00 O ATOM 393 CB PHE A 25 2.441 1.095 7.555 1.00 0.00 C ATOM 394 CG PHE A 25 2.540 1.528 9.021 1.00 0.00 C ATOM 395 CD1 PHE A 25 1.988 2.747 9.429 1.00 0.00 C ATOM 396 CD2 PHE A 25 3.200 0.723 9.956 1.00 0.00 C ATOM 397 CE1 PHE A 25 2.145 3.186 10.747 1.00 0.00 C ATOM 398 CE2 PHE A 25 3.390 1.178 11.262 1.00 0.00 C ATOM 399 CZ PHE A 25 2.855 2.406 11.663 1.00 0.00 C ATOM 0 H PHE A 25 0.984 -1.574 7.546 1.00 0.00 H new ATOM 0 HA PHE A 25 0.264 1.235 7.454 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.203 0.343 7.350 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.656 1.949 6.913 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.438 3.352 8.723 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.563 -0.252 9.667 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.717 4.128 11.057 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.952 0.580 11.964 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.990 2.750 12.678 1.00 0.00 H new ATOM 409 N GLY A 26 1.102 1.316 4.847 1.00 0.00 N ATOM 410 CA GLY A 26 1.311 1.084 3.418 1.00 0.00 C ATOM 411 C GLY A 26 1.767 2.319 2.671 1.00 0.00 C ATOM 412 O GLY A 26 1.416 3.406 3.104 1.00 0.00 O ATOM 0 H GLY A 26 1.002 2.294 5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.053 0.296 3.290 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.382 0.723 2.976 1.00 0.00 H new ATOM 416 N LYS A 27 2.543 2.168 1.563 1.00 0.00 N ATOM 417 CA LYS A 27 3.149 3.325 0.888 1.00 0.00 C ATOM 418 C LYS A 27 3.010 3.205 -0.621 1.00 0.00 C ATOM 419 O LYS A 27 2.824 2.090 -1.080 1.00 0.00 O ATOM 420 CB LYS A 27 4.655 3.329 1.305 1.00 0.00 C ATOM 421 CG LYS A 27 5.392 4.694 1.166 1.00 0.00 C ATOM 422 CD LYS A 27 4.984 5.782 2.206 1.00 0.00 C ATOM 423 CE LYS A 27 5.401 5.438 3.663 1.00 0.00 C ATOM 424 NZ LYS A 27 5.202 6.609 4.541 1.00 0.00 N ATOM 0 H LYS A 27 2.755 1.268 1.132 1.00 0.00 H new ATOM 0 HA LYS A 27 2.654 4.253 1.175 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.726 3.003 2.343 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.182 2.590 0.702 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.465 4.519 1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.210 5.086 0.165 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.437 6.732 1.922 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.903 5.921 2.169 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.812 4.596 4.028 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.446 5.130 3.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.484 6.367 5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.782 7.402 4.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.199 6.884 4.530 1.00 0.00 H new ATOM 438 N CYS A 28 3.108 4.316 -1.397 1.00 0.00 N ATOM 439 CA CYS A 28 3.218 4.254 -2.861 1.00 0.00 C ATOM 440 C CYS A 28 4.558 4.872 -3.201 1.00 0.00 C ATOM 441 O CYS A 28 4.681 6.074 -3.024 1.00 0.00 O ATOM 442 CB CYS A 28 2.056 5.014 -3.562 1.00 0.00 C ATOM 443 SG CYS A 28 2.276 5.166 -5.376 1.00 0.00 S ATOM 0 H CYS A 28 3.112 5.265 -1.022 1.00 0.00 H new ATOM 0 HA CYS A 28 3.149 3.225 -3.213 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.118 4.496 -3.359 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.970 6.011 -3.129 1.00 0.00 H new ATOM 448 N MET A 29 5.561 4.082 -3.663 1.00 0.00 N ATOM 449 CA MET A 29 6.902 4.613 -3.922 1.00 0.00 C ATOM 450 C MET A 29 7.225 4.378 -5.377 1.00 0.00 C ATOM 451 O MET A 29 6.725 3.392 -5.894 1.00 0.00 O ATOM 452 CB MET A 29 7.938 3.855 -3.052 1.00 0.00 C ATOM 453 CG MET A 29 7.574 3.946 -1.548 1.00 0.00 C ATOM 454 SD MET A 29 8.683 2.918 -0.528 1.00 0.00 S ATOM 455 CE MET A 29 10.275 3.788 -0.682 1.00 0.00 C ATOM 0 H MET A 29 5.457 3.086 -3.859 1.00 0.00 H new ATOM 0 HA MET A 29 6.937 5.676 -3.683 1.00 0.00 H new ATOM 0 HB2 MET A 29 7.979 2.809 -3.357 1.00 0.00 H new ATOM 0 HB3 MET A 29 8.931 4.274 -3.215 1.00 0.00 H new ATOM 0 HG2 MET A 29 7.634 4.984 -1.220 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.543 3.625 -1.402 1.00 0.00 H new ATOM 0 HE1 MET A 29 11.004 3.335 -0.009 1.00 0.00 H new ATOM 0 HE2 MET A 29 10.633 3.713 -1.709 1.00 0.00 H new ATOM 0 HE3 MET A 29 10.143 4.838 -0.420 1.00 0.00 H new ATOM 465 N ASN A 30 8.027 5.232 -6.056 1.00 0.00 N ATOM 466 CA ASN A 30 8.268 5.038 -7.487 1.00 0.00 C ATOM 467 C ASN A 30 6.921 4.829 -8.152 1.00 0.00 C ATOM 468 O ASN A 30 6.165 5.788 -8.158 1.00 0.00 O ATOM 469 CB ASN A 30 9.342 3.931 -7.686 1.00 0.00 C ATOM 470 CG ASN A 30 9.641 3.662 -9.144 1.00 0.00 C ATOM 471 OD1 ASN A 30 9.397 4.527 -9.971 1.00 0.00 O ATOM 472 ND2 ASN A 30 10.171 2.469 -9.497 1.00 0.00 N ATOM 0 H ASN A 30 8.501 6.035 -5.643 1.00 0.00 H new ATOM 0 HA ASN A 30 8.705 5.904 -7.983 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.261 4.227 -7.180 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.000 3.010 -7.214 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.378 2.272 -10.476 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.364 1.766 -8.784 1.00 0.00 H new ATOM 479 N GLY A 31 6.574 3.629 -8.678 1.00 0.00 N ATOM 480 CA GLY A 31 5.218 3.384 -9.167 1.00 0.00 C ATOM 481 C GLY A 31 4.642 2.084 -8.648 1.00 0.00 C ATOM 482 O GLY A 31 3.659 1.645 -9.225 1.00 0.00 O ATOM 0 H GLY A 31 7.210 2.836 -8.769 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.572 4.209 -8.867 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.226 3.365 -10.257 1.00 0.00 H new ATOM 486 N LYS A 32 5.183 1.471 -7.569 1.00 0.00 N ATOM 487 CA LYS A 32 4.654 0.213 -7.039 1.00 0.00 C ATOM 488 C LYS A 32 4.209 0.498 -5.626 1.00 0.00 C ATOM 489 O LYS A 32 4.572 1.554 -5.130 1.00 0.00 O ATOM 490 CB LYS A 32 5.795 -0.842 -7.060 1.00 0.00 C ATOM 491 CG LYS A 32 6.323 -1.081 -8.510 1.00 0.00 C ATOM 492 CD LYS A 32 7.871 -1.228 -8.628 1.00 0.00 C ATOM 493 CE LYS A 32 8.449 -2.599 -8.185 1.00 0.00 C ATOM 494 NZ LYS A 32 8.185 -2.943 -6.775 1.00 0.00 N ATOM 0 H LYS A 32 5.985 1.835 -7.055 1.00 0.00 H new ATOM 0 HA LYS A 32 3.819 -0.172 -7.624 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.614 -0.507 -6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.432 -1.782 -6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.856 -1.982 -8.908 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.002 -0.251 -9.140 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.157 -1.051 -9.665 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.339 -0.446 -8.030 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.031 -3.379 -8.821 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.526 -2.596 -8.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.728 -3.792 -6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.471 -2.151 -6.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.170 -3.129 -6.647 1.00 0.00 H new ATOM 508 N CYS A 33 3.442 -0.406 -4.971 1.00 0.00 N ATOM 509 CA CYS A 33 3.019 -0.154 -3.594 1.00 0.00 C ATOM 510 C CYS A 33 3.584 -1.202 -2.671 1.00 0.00 C ATOM 511 O CYS A 33 3.960 -2.269 -3.131 1.00 0.00 O ATOM 512 CB CYS A 33 1.474 -0.036 -3.453 1.00 0.00 C ATOM 513 SG CYS A 33 1.033 1.720 -3.612 1.00 0.00 S ATOM 0 H CYS A 33 3.117 -1.287 -5.368 1.00 0.00 H new ATOM 0 HA CYS A 33 3.421 0.816 -3.302 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.974 -0.626 -4.221 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.148 -0.426 -2.489 1.00 0.00 H new ATOM 518 N HIS A 34 3.651 -0.871 -1.360 1.00 0.00 N ATOM 519 CA HIS A 34 4.222 -1.768 -0.363 1.00 0.00 C ATOM 520 C HIS A 34 3.167 -1.893 0.711 1.00 0.00 C ATOM 521 O HIS A 34 2.865 -0.877 1.313 1.00 0.00 O ATOM 522 CB HIS A 34 5.530 -1.121 0.167 1.00 0.00 C ATOM 523 CG HIS A 34 6.582 -1.157 -0.916 1.00 0.00 C ATOM 524 ND1 HIS A 34 7.607 -1.979 -0.893 1.00 0.00 N ATOM 525 CD2 HIS A 34 6.630 -0.391 -2.025 1.00 0.00 C ATOM 526 CE1 HIS A 34 8.334 -1.799 -1.950 1.00 0.00 C ATOM 527 NE2 HIS A 34 7.826 -0.890 -2.650 1.00 0.00 N ATOM 0 H HIS A 34 3.313 0.014 -0.982 1.00 0.00 H new ATOM 0 HA HIS A 34 4.480 -2.755 -0.746 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.342 -0.092 0.472 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.882 -1.656 1.049 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.955 0.385 -2.354 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.234 -2.345 -2.191 1.00 0.00 H new ATOM 0 HE2 HIS A 34 8.206 -0.553 -3.535 1.00 0.00 H new ATOM 535 N CYS A 35 2.595 -3.097 0.950 1.00 0.00 N ATOM 536 CA CYS A 35 1.630 -3.285 2.029 1.00 0.00 C ATOM 537 C CYS A 35 2.398 -3.984 3.131 1.00 0.00 C ATOM 538 O CYS A 35 2.930 -5.045 2.849 1.00 0.00 O ATOM 539 CB CYS A 35 0.427 -4.156 1.589 1.00 0.00 C ATOM 540 SG CYS A 35 -0.848 -3.354 0.547 1.00 0.00 S ATOM 0 H CYS A 35 2.791 -3.939 0.408 1.00 0.00 H new ATOM 0 HA CYS A 35 1.212 -2.329 2.344 1.00 0.00 H new ATOM 0 HB2 CYS A 35 0.814 -5.018 1.046 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.060 -4.537 2.486 1.00 0.00 H new ATOM 545 N THR A 36 2.478 -3.413 4.361 1.00 0.00 N ATOM 546 CA THR A 36 3.314 -3.982 5.415 1.00 0.00 C ATOM 547 C THR A 36 2.359 -4.601 6.412 1.00 0.00 C ATOM 548 O THR A 36 1.590 -3.825 6.970 1.00 0.00 O ATOM 549 CB THR A 36 4.221 -2.897 6.067 1.00 0.00 C ATOM 550 OG1 THR A 36 3.497 -2.044 6.967 1.00 0.00 O ATOM 551 CG2 THR A 36 4.876 -1.997 4.986 1.00 0.00 C ATOM 0 H THR A 36 1.974 -2.568 4.631 1.00 0.00 H new ATOM 0 HA THR A 36 4.001 -4.731 5.021 1.00 0.00 H new ATOM 0 HB THR A 36 4.981 -3.443 6.626 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.586 -2.386 7.080 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.504 -1.248 5.468 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.486 -2.610 4.323 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.098 -1.500 4.406 1.00 0.00 H new ATOM 559 N PRO A 37 2.349 -5.944 6.644 1.00 0.00 N ATOM 560 CA PRO A 37 1.253 -6.557 7.373 1.00 0.00 C ATOM 561 C PRO A 37 1.307 -6.230 8.841 1.00 0.00 C ATOM 562 O PRO A 37 2.331 -5.741 9.290 1.00 0.00 O ATOM 563 CB PRO A 37 1.519 -8.059 7.107 1.00 0.00 C ATOM 564 CG PRO A 37 3.055 -8.119 6.965 1.00 0.00 C ATOM 565 CD PRO A 37 3.388 -6.841 6.157 1.00 0.00 C ATOM 0 HA PRO A 37 0.265 -6.218 7.063 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.165 -8.683 7.927 1.00 0.00 H new ATOM 0 HB3 PRO A 37 1.016 -8.404 6.204 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.549 -8.121 7.937 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.376 -9.020 6.443 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.390 -6.467 6.366 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.326 -7.002 5.081 1.00 0.00 H new ATOM 573 N LYS A 38 0.221 -6.506 9.601 1.00 0.00 N ATOM 574 CA LYS A 38 0.294 -6.314 11.048 1.00 0.00 C ATOM 575 C LYS A 38 1.076 -7.459 11.636 1.00 0.00 C ATOM 576 O LYS A 38 1.421 -8.408 10.950 1.00 0.00 O ATOM 577 CB LYS A 38 -1.118 -6.235 11.690 1.00 0.00 C ATOM 578 CG LYS A 38 -1.044 -6.065 13.233 1.00 0.00 C ATOM 579 CD LYS A 38 -2.459 -5.988 13.867 1.00 0.00 C ATOM 580 CE LYS A 38 -2.383 -5.912 15.415 1.00 0.00 C ATOM 581 NZ LYS A 38 -3.741 -5.889 15.996 1.00 0.00 N ATOM 582 OXT LYS A 38 1.397 -7.436 12.927 1.00 0.00 O ATOM 0 H LYS A 38 -0.673 -6.847 9.247 1.00 0.00 H new ATOM 0 HA LYS A 38 0.790 -5.366 11.258 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.667 -5.398 11.258 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.677 -7.140 11.451 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.495 -6.901 13.666 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.487 -5.160 13.474 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.984 -5.113 13.484 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.039 -6.862 13.572 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.830 -6.768 15.801 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.837 -5.018 15.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.674 -5.838 17.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.256 -5.058 15.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.250 -6.754 15.724 1.00 0.00 H new TER 596 LYS A 38