USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 323 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -143:sc= -0.0376 (180deg=-0.246) USER MOD Single : A 24 ASN : amide:sc= 0.17 X(o=0.17,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0457) USER MOD ----------------------------------------------------------------- ATOM 125 N ASP A 9 -12.771 -2.837 -6.151 1.00 0.00 N ATOM 126 CA ASP A 9 -13.846 -2.321 -5.312 1.00 0.00 C ATOM 127 C ASP A 9 -13.527 -0.911 -4.825 1.00 0.00 C ATOM 128 O ASP A 9 -14.428 -0.111 -4.572 1.00 0.00 O ATOM 129 CB ASP A 9 -14.078 -3.247 -4.117 1.00 0.00 C ATOM 130 CG ASP A 9 -15.051 -4.366 -4.431 1.00 0.00 C ATOM 131 OD1 ASP A 9 -14.812 -5.103 -5.411 1.00 0.00 O ATOM 132 OD2 ASP A 9 -16.052 -4.505 -3.698 1.00 0.00 O ATOM 0 HA ASP A 9 -14.755 -2.281 -5.912 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.126 -3.675 -3.803 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.458 -2.664 -3.278 1.00 0.00 H new ATOM 137 N LYS A 10 -12.239 -0.613 -4.696 1.00 0.00 N ATOM 138 CA LYS A 10 -11.799 0.700 -4.239 1.00 0.00 C ATOM 139 C LYS A 10 -11.914 1.731 -5.357 1.00 0.00 C ATOM 140 O LYS A 10 -12.498 2.799 -5.171 1.00 0.00 O ATOM 141 CB LYS A 10 -10.353 0.632 -3.741 1.00 0.00 C ATOM 142 CG LYS A 10 -9.801 1.973 -3.291 1.00 0.00 C ATOM 143 CD LYS A 10 -9.126 1.871 -1.934 1.00 0.00 C ATOM 144 CE LYS A 10 -8.825 3.246 -1.356 1.00 0.00 C ATOM 145 NZ LYS A 10 -7.502 3.759 -1.807 1.00 0.00 N ATOM 0 H LYS A 10 -11.481 -1.263 -4.902 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.446 1.006 -3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.296 -0.072 -2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.722 0.237 -4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.086 2.339 -4.028 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.609 2.702 -3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.768 1.319 -1.248 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.200 1.304 -2.029 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.607 3.945 -1.655 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.843 3.194 -0.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.334 4.698 -1.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.753 3.106 -1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.493 3.833 -2.844 1.00 0.00 H new ATOM 159 N ILE A 11 -11.355 1.404 -6.518 1.00 0.00 N ATOM 160 CA ILE A 11 -11.398 2.301 -7.666 1.00 0.00 C ATOM 161 C ILE A 11 -12.825 2.475 -8.175 1.00 0.00 C ATOM 162 O ILE A 11 -13.222 3.566 -8.585 1.00 0.00 O ATOM 163 CB ILE A 11 -10.513 1.786 -8.816 1.00 0.00 C ATOM 164 CG1 ILE A 11 -10.928 0.368 -9.212 1.00 0.00 C ATOM 165 CG2 ILE A 11 -9.047 1.822 -8.413 1.00 0.00 C ATOM 166 CD1 ILE A 11 -11.989 0.327 -10.290 1.00 0.00 C ATOM 0 H ILE A 11 -10.867 0.524 -6.688 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.016 3.264 -7.328 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.648 2.438 -9.679 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.049 -0.176 -9.558 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -11.298 -0.153 -8.329 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.434 1.455 -9.236 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.760 2.846 -8.176 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.895 1.190 -7.538 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.234 -0.710 -10.520 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.884 0.842 -9.940 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.615 0.819 -11.188 1.00 0.00 H new ATOM 178 N LYS A 12 -13.594 1.391 -8.144 1.00 0.00 N ATOM 179 CA LYS A 12 -14.979 1.422 -8.599 1.00 0.00 C ATOM 180 C LYS A 12 -15.856 2.197 -7.621 1.00 0.00 C ATOM 181 O LYS A 12 -16.880 2.762 -8.004 1.00 0.00 O ATOM 182 CB LYS A 12 -15.515 -0.001 -8.764 1.00 0.00 C ATOM 183 CG LYS A 12 -17.007 -0.061 -9.041 1.00 0.00 C ATOM 184 CD LYS A 12 -17.793 -0.412 -7.788 1.00 0.00 C ATOM 185 CE LYS A 12 -18.815 0.663 -7.452 1.00 0.00 C ATOM 186 NZ LYS A 12 -20.061 0.083 -6.879 1.00 0.00 N ATOM 0 H LYS A 12 -13.281 0.480 -7.808 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.007 1.928 -9.564 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.983 -0.488 -9.581 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -15.299 -0.569 -7.859 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -17.345 0.901 -9.426 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.205 -0.802 -9.815 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -18.300 -1.366 -7.931 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -17.107 -0.538 -6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -18.382 1.367 -6.741 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -19.058 1.228 -8.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -20.732 0.847 -6.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -20.488 -0.569 -7.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -19.834 -0.435 -6.006 1.00 0.00 H new ATOM 200 N SER A 13 -15.446 2.220 -6.357 1.00 0.00 N ATOM 201 CA SER A 13 -16.196 2.924 -5.323 1.00 0.00 C ATOM 202 C SER A 13 -15.711 4.364 -5.186 1.00 0.00 C ATOM 203 O SER A 13 -16.451 5.241 -4.739 1.00 0.00 O ATOM 204 CB SER A 13 -16.061 2.199 -3.982 1.00 0.00 C ATOM 205 OG SER A 13 -16.864 2.812 -2.988 1.00 0.00 O ATOM 0 H SER A 13 -14.599 1.759 -6.024 1.00 0.00 H new ATOM 0 HA SER A 13 -17.246 2.938 -5.616 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.354 1.155 -4.098 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.018 2.204 -3.666 1.00 0.00 H new ATOM 0 HG SER A 13 -16.761 2.330 -2.141 1.00 0.00 H new ATOM 211 N LYS A 14 -14.463 4.602 -5.574 1.00 0.00 N ATOM 212 CA LYS A 14 -13.877 5.934 -5.497 1.00 0.00 C ATOM 213 C LYS A 14 -14.639 6.916 -6.383 1.00 0.00 C ATOM 214 O LYS A 14 -15.304 7.826 -5.887 1.00 0.00 O ATOM 215 CB LYS A 14 -12.405 5.892 -5.913 1.00 0.00 C ATOM 216 CG LYS A 14 -11.547 6.936 -5.220 1.00 0.00 C ATOM 217 CD LYS A 14 -12.126 8.332 -5.384 1.00 0.00 C ATOM 218 CE LYS A 14 -12.181 8.744 -6.847 1.00 0.00 C ATOM 219 NZ LYS A 14 -11.273 9.888 -7.135 1.00 0.00 N ATOM 0 H LYS A 14 -13.837 3.888 -5.946 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.946 6.274 -4.464 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.003 4.902 -5.697 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.337 6.035 -6.991 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.467 6.697 -4.160 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.537 6.909 -5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.129 8.363 -4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.520 9.046 -4.826 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.906 7.896 -7.474 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.203 9.017 -7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.339 10.139 -8.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.550 10.706 -6.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.294 9.620 -6.909 1.00 0.00 H new ATOM 233 N ILE A 15 -14.537 6.724 -7.693 1.00 0.00 N ATOM 234 CA ILE A 15 -15.219 7.590 -8.647 1.00 0.00 C ATOM 235 C ILE A 15 -16.724 7.598 -8.404 1.00 0.00 C ATOM 236 O ILE A 15 -17.371 8.644 -8.480 1.00 0.00 O ATOM 237 CB ILE A 15 -14.946 7.154 -10.099 1.00 0.00 C ATOM 238 CG1 ILE A 15 -13.446 6.945 -10.318 1.00 0.00 C ATOM 239 CG2 ILE A 15 -15.490 8.188 -11.073 1.00 0.00 C ATOM 240 CD1 ILE A 15 -13.079 5.517 -10.658 1.00 0.00 C ATOM 0 H ILE A 15 -13.989 5.977 -8.119 1.00 0.00 H new ATOM 0 HA ILE A 15 -14.825 8.595 -8.499 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.456 6.208 -10.281 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.110 7.600 -11.122 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.910 7.245 -9.417 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.290 7.866 -12.095 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -16.565 8.292 -10.930 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -15.005 9.148 -10.893 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -12.001 5.442 -10.800 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.384 4.859 -9.844 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.587 5.219 -11.575 1.00 0.00 H new ATOM 252 N LEU A 16 -17.276 6.426 -8.111 1.00 0.00 N ATOM 253 CA LEU A 16 -18.707 6.297 -7.855 1.00 0.00 C ATOM 254 C LEU A 16 -19.120 7.129 -6.645 1.00 0.00 C ATOM 255 O LEU A 16 -19.963 8.021 -6.752 1.00 0.00 O ATOM 256 CB LEU A 16 -19.074 4.830 -7.628 1.00 0.00 C ATOM 257 CG LEU A 16 -20.560 4.485 -7.736 1.00 0.00 C ATOM 258 CD1 LEU A 16 -21.325 5.045 -6.547 1.00 0.00 C ATOM 259 CD2 LEU A 16 -21.136 5.014 -9.041 1.00 0.00 C ATOM 0 H LEU A 16 -16.755 5.552 -8.045 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.243 6.668 -8.729 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.527 4.224 -8.350 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -18.725 4.538 -6.638 1.00 0.00 H new ATOM 0 HG LEU A 16 -20.664 3.400 -7.730 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -22.381 4.790 -6.641 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -20.929 4.618 -5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -21.215 6.129 -6.521 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -22.194 4.760 -9.101 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -21.021 6.097 -9.077 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.606 4.565 -9.881 1.00 0.00 H new ATOM 271 N ASP A 17 -18.521 6.833 -5.497 1.00 0.00 N ATOM 272 CA ASP A 17 -18.825 7.556 -4.268 1.00 0.00 C ATOM 273 C ASP A 17 -18.468 9.033 -4.403 1.00 0.00 C ATOM 274 O ASP A 17 -19.172 9.902 -3.889 1.00 0.00 O ATOM 275 CB ASP A 17 -18.068 6.942 -3.089 1.00 0.00 C ATOM 276 CG ASP A 17 -18.665 7.331 -1.751 1.00 0.00 C ATOM 277 OD1 ASP A 17 -18.883 8.540 -1.528 1.00 0.00 O ATOM 278 OD2 ASP A 17 -18.915 6.426 -0.927 1.00 0.00 O ATOM 0 H ASP A 17 -17.822 6.097 -5.392 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.896 7.475 -4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.073 5.856 -3.184 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.026 7.260 -3.125 1.00 0.00 H new ATOM 283 N ASP A 18 -17.369 9.309 -5.097 1.00 0.00 N ATOM 284 CA ASP A 18 -16.918 10.681 -5.300 1.00 0.00 C ATOM 285 C ASP A 18 -17.926 11.467 -6.132 1.00 0.00 C ATOM 286 O ASP A 18 -18.441 12.495 -5.693 1.00 0.00 O ATOM 287 CB ASP A 18 -15.551 10.694 -5.986 1.00 0.00 C ATOM 288 CG ASP A 18 -15.021 12.100 -6.194 1.00 0.00 C ATOM 289 OD1 ASP A 18 -14.965 12.865 -5.209 1.00 0.00 O ATOM 290 OD2 ASP A 18 -14.663 12.434 -7.343 1.00 0.00 O ATOM 0 H ASP A 18 -16.774 8.601 -5.528 1.00 0.00 H new ATOM 0 HA ASP A 18 -16.831 11.157 -4.323 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.841 10.126 -5.385 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.627 10.191 -6.950 1.00 0.00 H new ATOM 295 N ALA A 19 -18.202 10.977 -7.336 1.00 0.00 N ATOM 296 CA ALA A 19 -19.149 11.633 -8.229 1.00 0.00 C ATOM 297 C ALA A 19 -20.523 11.754 -7.579 1.00 0.00 C ATOM 298 O ALA A 19 -21.219 12.754 -7.755 1.00 0.00 O ATOM 299 CB ALA A 19 -19.249 10.872 -9.543 1.00 0.00 C ATOM 0 H ALA A 19 -17.783 10.128 -7.715 1.00 0.00 H new ATOM 0 HA ALA A 19 -18.783 12.639 -8.432 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -19.960 11.373 -10.200 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -18.270 10.843 -10.022 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -19.589 9.855 -9.349 1.00 0.00 H new ATOM 305 N LYS A 20 -20.909 10.728 -6.828 1.00 0.00 N ATOM 306 CA LYS A 20 -22.201 10.719 -6.151 1.00 0.00 C ATOM 307 C LYS A 20 -22.285 11.843 -5.124 1.00 0.00 C ATOM 308 O LYS A 20 -23.268 12.581 -5.077 1.00 0.00 O ATOM 309 CB LYS A 20 -22.430 9.370 -5.466 1.00 0.00 C ATOM 310 CG LYS A 20 -22.899 8.279 -6.412 1.00 0.00 C ATOM 311 CD LYS A 20 -24.282 8.578 -6.967 1.00 0.00 C ATOM 312 CE LYS A 20 -25.315 8.692 -5.856 1.00 0.00 C ATOM 313 NZ LYS A 20 -25.325 7.487 -4.982 1.00 0.00 N ATOM 0 H LYS A 20 -20.346 9.892 -6.673 1.00 0.00 H new ATOM 0 HA LYS A 20 -22.977 10.877 -6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -21.503 9.052 -4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -23.169 9.495 -4.674 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -22.190 8.179 -7.234 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -22.915 7.324 -5.887 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -24.254 9.507 -7.536 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -24.576 7.789 -7.659 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -25.104 9.576 -5.254 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -26.304 8.832 -6.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -26.302 7.273 -4.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -24.931 6.677 -5.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -24.749 7.667 -4.135 1.00 0.00 H new ATOM 327 N ALA A 21 -21.246 11.969 -4.304 1.00 0.00 N ATOM 328 CA ALA A 21 -21.202 13.005 -3.280 1.00 0.00 C ATOM 329 C ALA A 21 -21.268 14.396 -3.904 1.00 0.00 C ATOM 330 O ALA A 21 -21.935 15.288 -3.382 1.00 0.00 O ATOM 331 CB ALA A 21 -19.942 12.862 -2.438 1.00 0.00 C ATOM 0 H ALA A 21 -20.424 11.366 -4.329 1.00 0.00 H new ATOM 0 HA ALA A 21 -22.072 12.882 -2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -19.922 13.642 -1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.936 11.885 -1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -19.064 12.957 -3.077 1.00 0.00 H new ATOM 337 N GLU A 22 -20.573 14.571 -5.023 1.00 0.00 N ATOM 338 CA GLU A 22 -20.553 15.854 -5.716 1.00 0.00 C ATOM 339 C GLU A 22 -21.941 16.211 -6.240 1.00 0.00 C ATOM 340 O GLU A 22 -22.344 17.373 -6.219 1.00 0.00 O ATOM 341 CB GLU A 22 -19.552 15.818 -6.873 1.00 0.00 C ATOM 342 CG GLU A 22 -18.644 17.036 -6.930 1.00 0.00 C ATOM 343 CD GLU A 22 -17.278 16.718 -7.505 1.00 0.00 C ATOM 344 OE1 GLU A 22 -17.162 16.635 -8.746 1.00 0.00 O ATOM 345 OE2 GLU A 22 -16.325 16.551 -6.716 1.00 0.00 O ATOM 0 H GLU A 22 -20.017 13.841 -5.469 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.245 16.619 -5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.938 14.922 -6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.098 15.738 -7.813 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -19.117 17.810 -7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.526 17.444 -5.926 1.00 0.00 H new ATOM 352 N ALA A 23 -22.666 15.202 -6.711 1.00 0.00 N ATOM 353 CA ALA A 23 -24.009 15.408 -7.240 1.00 0.00 C ATOM 354 C ALA A 23 -25.035 15.487 -6.115 1.00 0.00 C ATOM 355 O ALA A 23 -26.136 16.005 -6.302 1.00 0.00 O ATOM 356 CB ALA A 23 -24.371 14.293 -8.210 1.00 0.00 C ATOM 0 H ALA A 23 -22.346 14.234 -6.737 1.00 0.00 H new ATOM 0 HA ALA A 23 -24.021 16.358 -7.775 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -25.376 14.460 -8.597 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.661 14.285 -9.037 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -24.336 13.335 -7.692 1.00 0.00 H new ATOM 362 N ASN A 24 -24.668 14.970 -4.947 1.00 0.00 N ATOM 363 CA ASN A 24 -25.559 14.981 -3.792 1.00 0.00 C ATOM 364 C ASN A 24 -25.357 16.245 -2.962 1.00 0.00 C ATOM 365 O ASN A 24 -26.249 16.667 -2.225 1.00 0.00 O ATOM 366 CB ASN A 24 -25.318 13.744 -2.925 1.00 0.00 C ATOM 367 CG ASN A 24 -26.261 12.606 -3.266 1.00 0.00 C ATOM 368 OD1 ASN A 24 -27.089 12.206 -2.448 1.00 0.00 O ATOM 369 ND2 ASN A 24 -26.139 12.080 -4.479 1.00 0.00 N ATOM 0 H ASN A 24 -23.760 14.538 -4.775 1.00 0.00 H new ATOM 0 HA ASN A 24 -26.586 14.967 -4.156 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -24.288 13.410 -3.052 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.439 14.010 -1.875 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -26.746 11.312 -4.765 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -25.438 12.444 -5.125 1.00 0.00 H new ATOM 376 N LYS A 25 -24.179 16.847 -3.087 1.00 0.00 N ATOM 377 CA LYS A 25 -23.859 18.064 -2.351 1.00 0.00 C ATOM 378 C LYS A 25 -24.208 19.303 -3.169 1.00 0.00 C ATOM 379 O LYS A 25 -24.656 20.312 -2.624 1.00 0.00 O ATOM 380 CB LYS A 25 -22.374 18.086 -1.982 1.00 0.00 C ATOM 381 CG LYS A 25 -21.786 19.484 -1.907 1.00 0.00 C ATOM 382 CD LYS A 25 -21.228 19.927 -3.249 1.00 0.00 C ATOM 383 CE LYS A 25 -19.756 20.298 -3.145 1.00 0.00 C ATOM 384 NZ LYS A 25 -18.899 19.105 -2.901 1.00 0.00 N ATOM 0 H LYS A 25 -23.429 16.511 -3.692 1.00 0.00 H new ATOM 0 HA LYS A 25 -24.455 18.073 -1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -22.240 17.593 -1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -21.817 17.506 -2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -22.554 20.186 -1.582 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.995 19.507 -1.157 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -21.352 19.126 -3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.795 20.783 -3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -19.440 20.790 -4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -19.619 21.015 -2.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -17.904 19.400 -2.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -19.184 18.649 -2.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -19.010 18.431 -3.685 1.00 0.00 H new ATOM 398 N ILE A 26 -24.002 19.218 -4.479 1.00 0.00 N ATOM 399 CA ILE A 26 -24.298 20.332 -5.372 1.00 0.00 C ATOM 400 C ILE A 26 -25.801 20.572 -5.471 1.00 0.00 C ATOM 401 O ILE A 26 -26.242 21.654 -5.859 1.00 0.00 O ATOM 402 CB ILE A 26 -23.735 20.086 -6.784 1.00 0.00 C ATOM 403 CG1 ILE A 26 -23.520 21.416 -7.509 1.00 0.00 C ATOM 404 CG2 ILE A 26 -24.672 19.189 -7.579 1.00 0.00 C ATOM 405 CD1 ILE A 26 -22.438 22.273 -6.890 1.00 0.00 C ATOM 0 H ILE A 26 -23.632 18.390 -4.945 1.00 0.00 H new ATOM 0 HA ILE A 26 -23.818 21.214 -4.947 1.00 0.00 H new ATOM 0 HB ILE A 26 -22.772 19.583 -6.693 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -23.263 21.216 -8.549 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -24.456 21.974 -7.513 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.260 19.024 -8.575 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -24.780 18.232 -7.068 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -25.648 19.667 -7.664 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -22.340 23.200 -7.455 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -22.702 22.503 -5.858 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -21.491 21.734 -6.910 1.00 0.00 H new ATOM 417 N ILE A 27 -26.582 19.557 -5.116 1.00 0.00 N ATOM 418 CA ILE A 27 -28.035 19.660 -5.162 1.00 0.00 C ATOM 419 C ILE A 27 -28.593 20.167 -3.836 1.00 0.00 C ATOM 420 O ILE A 27 -29.602 20.870 -3.804 1.00 0.00 O ATOM 421 CB ILE A 27 -28.685 18.304 -5.494 1.00 0.00 C ATOM 422 CG1 ILE A 27 -28.283 17.253 -4.456 1.00 0.00 C ATOM 423 CG2 ILE A 27 -28.287 17.854 -6.892 1.00 0.00 C ATOM 424 CD1 ILE A 27 -29.402 16.881 -3.509 1.00 0.00 C ATOM 0 H ILE A 27 -26.233 18.655 -4.794 1.00 0.00 H new ATOM 0 HA ILE A 27 -28.276 20.372 -5.951 1.00 0.00 H new ATOM 0 HB ILE A 27 -29.768 18.420 -5.465 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -27.942 16.356 -4.972 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -27.439 17.629 -3.878 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -28.754 16.894 -7.112 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -28.618 18.594 -7.620 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -27.203 17.751 -6.946 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -29.046 16.132 -2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -29.728 17.768 -2.965 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -30.239 16.475 -4.077 1.00 0.00 H new ATOM 436 N SER A 28 -27.927 19.806 -2.744 1.00 0.00 N ATOM 437 CA SER A 28 -28.356 20.223 -1.414 1.00 0.00 C ATOM 438 C SER A 28 -27.818 21.611 -1.079 1.00 0.00 C ATOM 439 O SER A 28 -28.567 22.497 -0.670 1.00 0.00 O ATOM 440 CB SER A 28 -27.887 19.215 -0.364 1.00 0.00 C ATOM 441 OG SER A 28 -28.968 18.779 0.443 1.00 0.00 O ATOM 0 H SER A 28 -27.088 19.226 -2.754 1.00 0.00 H new ATOM 0 HA SER A 28 -29.445 20.263 -1.407 1.00 0.00 H new ATOM 0 HB2 SER A 28 -27.429 18.358 -0.857 1.00 0.00 H new ATOM 0 HB3 SER A 28 -27.120 19.669 0.264 1.00 0.00 H new ATOM 0 HG SER A 28 -28.643 18.134 1.105 1.00 0.00 H new ATOM 447 N GLU A 29 -26.512 21.791 -1.256 1.00 0.00 N ATOM 448 CA GLU A 29 -25.873 23.070 -0.972 1.00 0.00 C ATOM 449 C GLU A 29 -26.443 24.172 -1.861 1.00 0.00 C ATOM 450 O GLU A 29 -26.361 25.355 -1.530 1.00 0.00 O ATOM 451 CB GLU A 29 -24.360 22.966 -1.178 1.00 0.00 C ATOM 452 CG GLU A 29 -23.656 22.147 -0.109 1.00 0.00 C ATOM 453 CD GLU A 29 -23.555 22.880 1.215 1.00 0.00 C ATOM 454 OE1 GLU A 29 -24.598 23.048 1.880 1.00 0.00 O ATOM 455 OE2 GLU A 29 -22.433 23.285 1.586 1.00 0.00 O ATOM 0 H GLU A 29 -25.877 21.068 -1.594 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.075 23.325 0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -24.164 22.520 -2.153 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -23.934 23.969 -1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -24.193 21.210 0.039 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -22.655 21.889 -0.455 1.00 0.00 H new ATOM 462 N ALA A 30 -27.019 23.775 -2.990 1.00 0.00 N ATOM 463 CA ALA A 30 -27.604 24.728 -3.926 1.00 0.00 C ATOM 464 C ALA A 30 -29.016 25.118 -3.501 1.00 0.00 C ATOM 465 O ALA A 30 -29.265 26.261 -3.121 1.00 0.00 O ATOM 466 CB ALA A 30 -27.615 24.148 -5.332 1.00 0.00 C ATOM 0 H ALA A 30 -27.093 22.800 -3.279 1.00 0.00 H new ATOM 0 HA ALA A 30 -26.990 25.628 -3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -28.054 24.870 -6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -26.594 23.926 -5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -28.205 23.231 -5.343 1.00 0.00 H new ATOM 472 N GLU A 31 -29.935 24.160 -3.569 1.00 0.00 N ATOM 473 CA GLU A 31 -31.322 24.405 -3.193 1.00 0.00 C ATOM 474 C GLU A 31 -31.407 25.034 -1.805 1.00 0.00 C ATOM 475 O GLU A 31 -32.336 25.783 -1.507 1.00 0.00 O ATOM 476 CB GLU A 31 -32.121 23.100 -3.224 1.00 0.00 C ATOM 477 CG GLU A 31 -31.836 22.185 -2.045 1.00 0.00 C ATOM 478 CD GLU A 31 -32.731 22.472 -0.854 1.00 0.00 C ATOM 479 OE1 GLU A 31 -33.951 22.647 -1.057 1.00 0.00 O ATOM 480 OE2 GLU A 31 -32.211 22.521 0.280 1.00 0.00 O ATOM 0 H GLU A 31 -29.744 23.208 -3.881 1.00 0.00 H new ATOM 0 HA GLU A 31 -31.749 25.101 -3.915 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -33.185 23.335 -3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -31.897 22.568 -4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -31.970 21.148 -2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -30.794 22.297 -1.747 1.00 0.00 H new ATOM 487 N ALA A 32 -30.429 24.722 -0.960 1.00 0.00 N ATOM 488 CA ALA A 32 -30.391 25.256 0.395 1.00 0.00 C ATOM 489 C ALA A 32 -30.196 26.768 0.384 1.00 0.00 C ATOM 490 O ALA A 32 -31.106 27.523 0.724 1.00 0.00 O ATOM 491 CB ALA A 32 -29.285 24.585 1.196 1.00 0.00 C ATOM 0 H ALA A 32 -29.653 24.102 -1.191 1.00 0.00 H new ATOM 0 HA ALA A 32 -31.349 25.043 0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -29.268 24.994 2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -29.469 23.512 1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -28.324 24.768 0.714 1.00 0.00 H new ATOM 497 N GLU A 33 -29.003 27.203 -0.009 1.00 0.00 N ATOM 498 CA GLU A 33 -28.689 28.626 -0.063 1.00 0.00 C ATOM 499 C GLU A 33 -29.611 29.350 -1.040 1.00 0.00 C ATOM 500 O GLU A 33 -29.861 30.549 -0.904 1.00 0.00 O ATOM 501 CB GLU A 33 -27.230 28.835 -0.472 1.00 0.00 C ATOM 502 CG GLU A 33 -26.954 28.506 -1.930 1.00 0.00 C ATOM 503 CD GLU A 33 -25.476 28.552 -2.269 1.00 0.00 C ATOM 504 OE1 GLU A 33 -24.702 27.795 -1.647 1.00 0.00 O ATOM 505 OE2 GLU A 33 -25.095 29.345 -3.155 1.00 0.00 O ATOM 0 H GLU A 33 -28.239 26.591 -0.294 1.00 0.00 H new ATOM 0 HA GLU A 33 -28.843 29.043 0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -26.954 29.872 -0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -26.592 28.216 0.159 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -27.344 27.513 -2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -27.491 29.210 -2.565 1.00 0.00 H new ATOM 512 N LYS A 34 -30.114 28.615 -2.025 1.00 0.00 N ATOM 513 CA LYS A 34 -31.009 29.184 -3.026 1.00 0.00 C ATOM 514 C LYS A 34 -32.389 29.452 -2.432 1.00 0.00 C ATOM 515 O LYS A 34 -32.871 30.584 -2.445 1.00 0.00 O ATOM 516 CB LYS A 34 -31.133 28.241 -4.225 1.00 0.00 C ATOM 517 CG LYS A 34 -31.916 28.831 -5.384 1.00 0.00 C ATOM 518 CD LYS A 34 -31.160 28.696 -6.695 1.00 0.00 C ATOM 519 CE LYS A 34 -31.374 27.328 -7.324 1.00 0.00 C ATOM 520 NZ LYS A 34 -30.728 27.225 -8.662 1.00 0.00 N ATOM 0 H LYS A 34 -29.917 27.622 -2.152 1.00 0.00 H new ATOM 0 HA LYS A 34 -30.585 30.131 -3.359 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -30.135 27.973 -4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -31.617 27.319 -3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -32.880 28.329 -5.466 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -32.120 29.884 -5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -31.489 29.471 -7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -30.096 28.855 -6.521 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -30.970 26.559 -6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -32.443 27.136 -7.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -30.897 26.278 -9.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -31.131 27.942 -9.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -29.704 27.383 -8.566 1.00 0.00 H new ATOM 534 N ALA A 35 -33.018 28.403 -1.912 1.00 0.00 N ATOM 535 CA ALA A 35 -34.340 28.526 -1.310 1.00 0.00 C ATOM 536 C ALA A 35 -34.321 29.501 -0.137 1.00 0.00 C ATOM 537 O ALA A 35 -35.363 30.001 0.285 1.00 0.00 O ATOM 538 CB ALA A 35 -34.843 27.164 -0.859 1.00 0.00 C ATOM 0 H ALA A 35 -32.633 27.458 -1.896 1.00 0.00 H new ATOM 0 HA ALA A 35 -35.020 28.920 -2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -35.831 27.271 -0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -34.904 26.496 -1.718 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -34.155 26.747 -0.124 1.00 0.00 H new ATOM 544 N LYS A 36 -33.129 29.766 0.386 1.00 0.00 N ATOM 545 CA LYS A 36 -32.972 30.681 1.510 1.00 0.00 C ATOM 546 C LYS A 36 -32.931 32.129 1.032 1.00 0.00 C ATOM 547 O LYS A 36 -33.632 32.989 1.567 1.00 0.00 O ATOM 548 CB LYS A 36 -31.695 30.353 2.288 1.00 0.00 C ATOM 549 CG LYS A 36 -31.955 29.745 3.655 1.00 0.00 C ATOM 550 CD LYS A 36 -31.161 30.453 4.740 1.00 0.00 C ATOM 551 CE LYS A 36 -31.683 31.861 4.984 1.00 0.00 C ATOM 552 NZ LYS A 36 -30.654 32.731 5.617 1.00 0.00 N ATOM 0 H LYS A 36 -32.256 29.359 0.049 1.00 0.00 H new ATOM 0 HA LYS A 36 -33.832 30.558 2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -31.090 29.662 1.701 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -31.110 31.264 2.410 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -33.019 29.804 3.884 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -31.690 28.688 3.640 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -31.214 29.879 5.665 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -30.110 30.498 4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -31.998 32.301 4.038 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -32.564 31.816 5.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -31.048 33.682 5.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -30.371 32.325 6.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -29.823 32.795 4.995 1.00 0.00 H new ATOM 566 N ILE A 37 -32.109 32.390 0.022 1.00 0.00 N ATOM 567 CA ILE A 37 -31.980 33.733 -0.529 1.00 0.00 C ATOM 568 C ILE A 37 -33.190 34.097 -1.382 1.00 0.00 C ATOM 569 O ILE A 37 -33.573 35.264 -1.471 1.00 0.00 O ATOM 570 CB ILE A 37 -30.705 33.872 -1.382 1.00 0.00 C ATOM 571 CG1 ILE A 37 -30.808 33.002 -2.637 1.00 0.00 C ATOM 572 CG2 ILE A 37 -29.478 33.491 -0.567 1.00 0.00 C ATOM 573 CD1 ILE A 37 -29.590 33.083 -3.530 1.00 0.00 C ATOM 0 H ILE A 37 -31.522 31.690 -0.431 1.00 0.00 H new ATOM 0 HA ILE A 37 -31.917 34.416 0.318 1.00 0.00 H new ATOM 0 HB ILE A 37 -30.604 34.913 -1.690 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -30.961 31.965 -2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -31.687 33.303 -3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -28.585 33.594 -1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -29.399 34.147 0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -29.570 32.458 -0.232 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -29.733 32.441 -4.399 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -29.447 34.113 -3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -28.711 32.753 -2.977 1.00 0.00 H new ATOM 585 N LEU A 38 -33.791 33.089 -2.006 1.00 0.00 N ATOM 586 CA LEU A 38 -34.961 33.301 -2.851 1.00 0.00 C ATOM 587 C LEU A 38 -36.152 33.775 -2.023 1.00 0.00 C ATOM 588 O LEU A 38 -36.942 34.604 -2.474 1.00 0.00 O ATOM 589 CB LEU A 38 -35.321 32.012 -3.591 1.00 0.00 C ATOM 590 CG LEU A 38 -34.709 31.843 -4.982 1.00 0.00 C ATOM 591 CD1 LEU A 38 -33.296 32.405 -5.015 1.00 0.00 C ATOM 592 CD2 LEU A 38 -34.712 30.378 -5.392 1.00 0.00 C ATOM 0 H LEU A 38 -33.487 32.117 -1.942 1.00 0.00 H new ATOM 0 HA LEU A 38 -34.717 34.074 -3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -35.014 31.166 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -36.406 31.961 -3.685 1.00 0.00 H new ATOM 0 HG LEU A 38 -35.316 32.400 -5.695 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -32.876 32.276 -6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -33.320 33.466 -4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -32.677 31.876 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -34.273 30.277 -6.384 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -34.129 29.799 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -35.737 30.007 -5.409 1.00 0.00 H new ATOM 604 N GLU A 39 -36.271 33.245 -0.810 1.00 0.00 N ATOM 605 CA GLU A 39 -37.365 33.615 0.080 1.00 0.00 C ATOM 606 C GLU A 39 -36.976 34.803 0.956 1.00 0.00 C ATOM 607 O GLU A 39 -37.823 35.608 1.343 1.00 0.00 O ATOM 608 CB GLU A 39 -37.761 32.427 0.960 1.00 0.00 C ATOM 609 CG GLU A 39 -38.987 31.682 0.461 1.00 0.00 C ATOM 610 CD GLU A 39 -39.095 30.284 1.037 1.00 0.00 C ATOM 611 OE1 GLU A 39 -38.264 29.933 1.901 1.00 0.00 O ATOM 612 OE2 GLU A 39 -40.010 29.540 0.624 1.00 0.00 O ATOM 0 H GLU A 39 -35.624 32.559 -0.421 1.00 0.00 H new ATOM 0 HA GLU A 39 -38.218 33.903 -0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -36.923 31.733 1.017 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -37.950 32.783 1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -39.882 32.248 0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -38.953 31.621 -0.627 1.00 0.00 H new ATOM 619 N LYS A 40 -35.687 34.905 1.265 1.00 0.00 N ATOM 620 CA LYS A 40 -35.183 35.993 2.094 1.00 0.00 C ATOM 621 C LYS A 40 -35.103 37.292 1.298 1.00 0.00 C ATOM 622 O LYS A 40 -35.550 38.342 1.758 1.00 0.00 O ATOM 623 CB LYS A 40 -33.803 35.639 2.652 1.00 0.00 C ATOM 624 CG LYS A 40 -33.215 36.715 3.549 1.00 0.00 C ATOM 625 CD LYS A 40 -32.587 36.118 4.797 1.00 0.00 C ATOM 626 CE LYS A 40 -31.198 36.685 5.048 1.00 0.00 C ATOM 627 NZ LYS A 40 -31.027 37.131 6.458 1.00 0.00 N ATOM 0 H LYS A 40 -34.973 34.247 0.953 1.00 0.00 H new ATOM 0 HA LYS A 40 -35.877 36.137 2.922 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -33.876 34.708 3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -33.120 35.457 1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -32.464 37.280 2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -33.997 37.419 3.835 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -33.224 36.319 5.658 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -32.525 35.035 4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -30.449 35.929 4.813 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -31.023 37.526 4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -30.068 37.511 6.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -31.725 37.871 6.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -31.169 36.323 7.097 1.00 0.00 H new ATOM 641 N ALA A 41 -34.533 37.212 0.100 1.00 0.00 N ATOM 642 CA ALA A 41 -34.398 38.380 -0.762 1.00 0.00 C ATOM 643 C ALA A 41 -35.758 38.848 -1.269 1.00 0.00 C ATOM 644 O ALA A 41 -36.120 40.015 -1.119 1.00 0.00 O ATOM 645 CB ALA A 41 -33.475 38.070 -1.931 1.00 0.00 C ATOM 0 H ALA A 41 -34.157 36.350 -0.296 1.00 0.00 H new ATOM 0 HA ALA A 41 -33.961 39.187 -0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -33.384 38.951 -2.566 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -32.491 37.791 -1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -33.888 37.245 -2.512 1.00 0.00 H new ATOM 651 N LYS A 42 -36.507 37.930 -1.870 1.00 0.00 N ATOM 652 CA LYS A 42 -37.828 38.248 -2.400 1.00 0.00 C ATOM 653 C LYS A 42 -38.702 38.895 -1.330 1.00 0.00 C ATOM 654 O LYS A 42 -39.560 39.723 -1.635 1.00 0.00 O ATOM 655 CB LYS A 42 -38.506 36.982 -2.929 1.00 0.00 C ATOM 656 CG LYS A 42 -39.913 37.217 -3.450 1.00 0.00 C ATOM 657 CD LYS A 42 -40.942 36.438 -2.648 1.00 0.00 C ATOM 658 CE LYS A 42 -40.905 34.955 -2.985 1.00 0.00 C ATOM 659 NZ LYS A 42 -42.237 34.453 -3.422 1.00 0.00 N ATOM 0 H LYS A 42 -36.222 36.960 -2.002 1.00 0.00 H new ATOM 0 HA LYS A 42 -37.702 38.956 -3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -37.897 36.561 -3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -38.542 36.239 -2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -40.145 38.281 -3.406 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -39.968 36.922 -4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -40.755 36.575 -1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -41.938 36.833 -2.850 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -40.174 34.780 -3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -40.573 34.392 -2.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -42.171 33.439 -3.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -42.929 34.597 -2.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -42.543 34.972 -4.270 1.00 0.00 H new ATOM 673 N GLU A 43 -38.476 38.513 -0.077 1.00 0.00 N ATOM 674 CA GLU A 43 -39.243 39.058 1.037 1.00 0.00 C ATOM 675 C GLU A 43 -38.651 40.383 1.509 1.00 0.00 C ATOM 676 O GLU A 43 -39.294 41.428 1.419 1.00 0.00 O ATOM 677 CB GLU A 43 -39.279 38.061 2.197 1.00 0.00 C ATOM 678 CG GLU A 43 -40.292 36.944 2.009 1.00 0.00 C ATOM 679 CD GLU A 43 -40.228 35.906 3.113 1.00 0.00 C ATOM 680 OE1 GLU A 43 -39.690 36.224 4.194 1.00 0.00 O ATOM 681 OE2 GLU A 43 -40.714 34.777 2.895 1.00 0.00 O ATOM 0 H GLU A 43 -37.769 37.829 0.192 1.00 0.00 H new ATOM 0 HA GLU A 43 -40.261 39.238 0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -38.288 37.624 2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -39.508 38.597 3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -41.295 37.370 1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -40.118 36.459 1.049 1.00 0.00 H new ATOM 688 N GLU A 44 -37.422 40.329 2.012 1.00 0.00 N ATOM 689 CA GLU A 44 -36.744 41.525 2.499 1.00 0.00 C ATOM 690 C GLU A 44 -36.819 42.650 1.471 1.00 0.00 C ATOM 691 O GLU A 44 -36.919 43.824 1.826 1.00 0.00 O ATOM 692 CB GLU A 44 -35.282 41.212 2.824 1.00 0.00 C ATOM 693 CG GLU A 44 -34.402 41.071 1.594 1.00 0.00 C ATOM 694 CD GLU A 44 -33.124 40.305 1.875 1.00 0.00 C ATOM 695 OE1 GLU A 44 -33.032 39.682 2.954 1.00 0.00 O ATOM 696 OE2 GLU A 44 -32.216 40.328 1.018 1.00 0.00 O ATOM 0 H GLU A 44 -36.876 39.471 2.093 1.00 0.00 H new ATOM 0 HA GLU A 44 -37.249 41.853 3.408 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -34.882 42.003 3.458 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -35.237 40.288 3.401 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -34.961 40.562 0.809 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -34.151 42.062 1.216 1.00 0.00 H new ATOM 703 N ALA A 45 -36.768 42.281 0.195 1.00 0.00 N ATOM 704 CA ALA A 45 -36.831 43.258 -0.885 1.00 0.00 C ATOM 705 C ALA A 45 -38.261 43.740 -1.107 1.00 0.00 C ATOM 706 O ALA A 45 -38.495 44.922 -1.355 1.00 0.00 O ATOM 707 CB ALA A 45 -36.267 42.664 -2.167 1.00 0.00 C ATOM 0 H ALA A 45 -36.683 41.313 -0.116 1.00 0.00 H new ATOM 0 HA ALA A 45 -36.226 44.118 -0.599 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -36.320 43.404 -2.965 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -35.228 42.376 -2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -36.848 41.786 -2.448 1.00 0.00 H new ATOM 713 N GLU A 46 -39.213 42.816 -1.017 1.00 0.00 N ATOM 714 CA GLU A 46 -40.619 43.148 -1.209 1.00 0.00 C ATOM 715 C GLU A 46 -41.068 44.215 -0.215 1.00 0.00 C ATOM 716 O GLU A 46 -41.684 45.212 -0.592 1.00 0.00 O ATOM 717 CB GLU A 46 -41.487 41.897 -1.057 1.00 0.00 C ATOM 718 CG GLU A 46 -41.893 41.273 -2.382 1.00 0.00 C ATOM 719 CD GLU A 46 -42.519 39.902 -2.214 1.00 0.00 C ATOM 720 OE1 GLU A 46 -42.708 39.474 -1.056 1.00 0.00 O ATOM 721 OE2 GLU A 46 -42.819 39.258 -3.240 1.00 0.00 O ATOM 0 H GLU A 46 -39.036 41.833 -0.812 1.00 0.00 H new ATOM 0 HA GLU A 46 -40.737 43.544 -2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -40.944 41.158 -0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -42.385 42.154 -0.496 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -42.599 41.931 -2.888 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -41.016 41.192 -3.025 1.00 0.00 H new ATOM 728 N LYS A 47 -40.754 43.999 1.058 1.00 0.00 N ATOM 729 CA LYS A 47 -41.122 44.941 2.108 1.00 0.00 C ATOM 730 C LYS A 47 -40.096 46.063 2.217 1.00 0.00 C ATOM 731 O LYS A 47 -40.436 47.241 2.102 1.00 0.00 O ATOM 732 CB LYS A 47 -41.246 44.216 3.451 1.00 0.00 C ATOM 733 CG LYS A 47 -42.639 43.676 3.725 1.00 0.00 C ATOM 734 CD LYS A 47 -42.652 42.157 3.755 1.00 0.00 C ATOM 735 CE LYS A 47 -43.096 41.576 2.422 1.00 0.00 C ATOM 736 NZ LYS A 47 -44.561 41.734 2.209 1.00 0.00 N ATOM 0 H LYS A 47 -40.245 43.179 1.387 1.00 0.00 H new ATOM 0 HA LYS A 47 -42.086 45.379 1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -40.534 43.391 3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -40.967 44.901 4.251 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -42.999 44.063 4.678 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -43.326 44.032 2.957 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -41.656 41.789 4.000 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -43.321 41.814 4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -42.556 42.069 1.613 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -42.835 40.518 2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -44.855 41.168 1.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -45.072 41.409 3.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -44.781 42.736 2.036 1.00 0.00 H new