USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 498 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 Set 1.1: A 244 TYR OH : rot 130:sc= -2.69! USER MOD Set 1.2: A 251 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 193 THR OG1 : rot -60:sc= -3.37! USER MOD Set 2.2: A 226 CYS SG : rot 27:sc= -1.85! USER MOD Set 3.1: A 183 LYS NZ :NH3+ -158:sc= -0.476 (180deg=-1.39) USER MOD Set 3.2: A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 197 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 201 TYR OH : rot 180:sc= -0.594 USER MOD Single : A 210 SER OG : rot 180:sc= -0.657 USER MOD Single : A 231 LYS NZ :NH3+ -160:sc= 0.301 (180deg=0.0571) USER MOD Single : A 237 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 238 LYS NZ :NH3+ 169:sc= 1.13 (180deg=1.05) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 243 LYS NZ :NH3+ -149:sc= -0.215 (180deg=-1.13!) USER MOD Single : A 245 HIS :FLIP no HD1:sc= -13.8! C(o=-16!,f=-14!) USER MOD Single : A 246 ASN : amide:sc= -2.79! C(o=-2.8!,f=-8.1!) USER MOD Single : A 250 SER OG : rot 75:sc= 0.919 USER MOD Single : A 252 CYS SG : rot -160:sc= -7.09! USER MOD Single : A 255 LYS NZ :NH3+ 149:sc= -0.0883 (180deg=-0.93) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 183 -0.826 8.443 -5.058 1.00 0.00 N ATOM 2 CA LYS A 183 -0.614 7.173 -5.808 1.00 0.00 C ATOM 3 C LYS A 183 -0.911 6.022 -4.860 1.00 0.00 C ATOM 4 O LYS A 183 -0.882 6.188 -3.658 1.00 0.00 O ATOM 5 CB LYS A 183 0.849 7.212 -6.241 1.00 0.00 C ATOM 6 CG LYS A 183 1.449 5.792 -6.343 1.00 0.00 C ATOM 7 CD LYS A 183 1.806 5.536 -7.795 1.00 0.00 C ATOM 8 CE LYS A 183 3.316 5.689 -7.988 1.00 0.00 C ATOM 9 NZ LYS A 183 3.611 7.104 -7.621 1.00 0.00 N ATOM 0 HA LYS A 183 -1.256 7.048 -6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 183 0.930 7.712 -7.206 1.00 0.00 H new ATOM 0 HB3 LYS A 183 1.425 7.801 -5.527 1.00 0.00 H new ATOM 0 HG2 LYS A 183 2.334 5.706 -5.712 1.00 0.00 H new ATOM 0 HG3 LYS A 183 0.733 5.050 -5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 183 1.492 4.534 -8.086 1.00 0.00 H new ATOM 0 HD3 LYS A 183 1.274 6.236 -8.439 1.00 0.00 H new ATOM 0 HE2 LYS A 183 3.867 4.994 -7.355 1.00 0.00 H new ATOM 0 HE3 LYS A 183 3.605 5.480 -9.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 4.505 7.398 -8.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 2.841 7.717 -7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 3.693 7.185 -6.587 1.00 0.00 H new ATOM 23 N ILE A 184 -1.194 4.860 -5.364 1.00 0.00 N ATOM 24 CA ILE A 184 -1.474 3.743 -4.439 1.00 0.00 C ATOM 25 C ILE A 184 -0.688 2.496 -4.843 1.00 0.00 C ATOM 26 O ILE A 184 0.072 2.507 -5.791 1.00 0.00 O ATOM 27 CB ILE A 184 -2.980 3.485 -4.532 1.00 0.00 C ATOM 28 CG1 ILE A 184 -3.370 3.231 -5.990 1.00 0.00 C ATOM 29 CG2 ILE A 184 -3.743 4.700 -4.008 1.00 0.00 C ATOM 30 CD1 ILE A 184 -3.709 1.752 -6.179 1.00 0.00 C ATOM 0 H ILE A 184 -1.243 4.639 -6.359 1.00 0.00 H new ATOM 0 HA ILE A 184 -1.174 3.987 -3.420 1.00 0.00 H new ATOM 0 HB ILE A 184 -3.231 2.611 -3.931 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.226 3.848 -6.261 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -2.551 3.514 -6.651 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -4.815 4.513 -4.075 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -3.471 4.880 -2.968 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -3.489 5.575 -4.606 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -3.987 1.572 -7.218 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -2.840 1.144 -5.925 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -4.542 1.484 -5.529 1.00 0.00 H new ATOM 42 N PHE A 185 -0.865 1.419 -4.126 1.00 0.00 N ATOM 43 CA PHE A 185 -0.125 0.170 -4.467 1.00 0.00 C ATOM 44 C PHE A 185 -1.076 -1.032 -4.426 1.00 0.00 C ATOM 45 O PHE A 185 -2.016 -1.061 -3.665 1.00 0.00 O ATOM 46 CB PHE A 185 0.994 0.088 -3.407 1.00 0.00 C ATOM 47 CG PHE A 185 1.028 -1.264 -2.715 1.00 0.00 C ATOM 48 CD1 PHE A 185 1.129 -2.441 -3.467 1.00 0.00 C ATOM 49 CD2 PHE A 185 0.965 -1.333 -1.317 1.00 0.00 C ATOM 50 CE1 PHE A 185 1.162 -3.683 -2.822 1.00 0.00 C ATOM 51 CE2 PHE A 185 0.998 -2.575 -0.674 1.00 0.00 C ATOM 52 CZ PHE A 185 1.097 -3.751 -1.426 1.00 0.00 C ATOM 0 H PHE A 185 -1.488 1.350 -3.321 1.00 0.00 H new ATOM 0 HA PHE A 185 0.293 0.170 -5.474 1.00 0.00 H new ATOM 0 HB2 PHE A 185 1.957 0.276 -3.882 1.00 0.00 H new ATOM 0 HB3 PHE A 185 0.847 0.872 -2.664 1.00 0.00 H new ATOM 0 HD1 PHE A 185 1.181 -2.391 -4.545 1.00 0.00 H new ATOM 0 HD2 PHE A 185 0.891 -0.426 -0.735 1.00 0.00 H new ATOM 0 HE1 PHE A 185 1.238 -4.590 -3.403 1.00 0.00 H new ATOM 0 HE2 PHE A 185 0.947 -2.626 0.404 1.00 0.00 H new ATOM 0 HZ PHE A 185 1.123 -4.710 -0.930 1.00 0.00 H new ATOM 62 N VAL A 186 -0.841 -2.020 -5.243 1.00 0.00 N ATOM 63 CA VAL A 186 -1.735 -3.211 -5.243 1.00 0.00 C ATOM 64 C VAL A 186 -0.934 -4.473 -4.916 1.00 0.00 C ATOM 65 O VAL A 186 0.043 -4.783 -5.568 1.00 0.00 O ATOM 66 CB VAL A 186 -2.302 -3.295 -6.662 1.00 0.00 C ATOM 67 CG1 VAL A 186 -3.372 -4.391 -6.710 1.00 0.00 C ATOM 68 CG2 VAL A 186 -2.933 -1.949 -7.040 1.00 0.00 C ATOM 0 H VAL A 186 -0.070 -2.055 -5.910 1.00 0.00 H new ATOM 0 HA VAL A 186 -2.524 -3.127 -4.496 1.00 0.00 H new ATOM 0 HB VAL A 186 -1.502 -3.530 -7.365 1.00 0.00 H new ATOM 0 HG11 VAL A 186 -3.781 -4.457 -7.718 1.00 0.00 H new ATOM 0 HG12 VAL A 186 -2.926 -5.347 -6.436 1.00 0.00 H new ATOM 0 HG13 VAL A 186 -4.172 -4.150 -6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 186 -3.337 -2.008 -8.051 1.00 0.00 H new ATOM 0 HG22 VAL A 186 -3.736 -1.714 -6.341 1.00 0.00 H new ATOM 0 HG23 VAL A 186 -2.175 -1.167 -6.997 1.00 0.00 H new ATOM 78 N GLY A 187 -1.339 -5.208 -3.916 1.00 0.00 N ATOM 79 CA GLY A 187 -0.586 -6.451 -3.567 1.00 0.00 C ATOM 80 C GLY A 187 -1.281 -7.650 -4.190 1.00 0.00 C ATOM 81 O GLY A 187 -1.285 -8.745 -3.662 1.00 0.00 O ATOM 0 H GLY A 187 -2.149 -5.007 -3.330 1.00 0.00 H new ATOM 0 HA2 GLY A 187 0.440 -6.382 -3.929 1.00 0.00 H new ATOM 0 HA3 GLY A 187 -0.535 -6.567 -2.484 1.00 0.00 H new ATOM 148 N THR A 193 -0.860 -5.259 -15.604 1.00 0.00 N ATOM 149 CA THR A 193 -1.567 -4.025 -15.128 1.00 0.00 C ATOM 150 C THR A 193 -2.060 -3.206 -16.326 1.00 0.00 C ATOM 151 O THR A 193 -1.314 -2.434 -16.898 1.00 0.00 O ATOM 152 CB THR A 193 -0.514 -3.248 -14.326 1.00 0.00 C ATOM 153 OG1 THR A 193 -0.335 -3.876 -13.064 1.00 0.00 O ATOM 154 CG2 THR A 193 -0.982 -1.810 -14.110 1.00 0.00 C ATOM 0 HA THR A 193 -2.444 -4.254 -14.523 1.00 0.00 H new ATOM 0 HB THR A 193 0.427 -3.241 -14.876 1.00 0.00 H new ATOM 0 HG1 THR A 193 -1.185 -3.877 -12.576 1.00 0.00 H new ATOM 0 HG21 THR A 193 -0.230 -1.264 -13.540 1.00 0.00 H new ATOM 0 HG22 THR A 193 -1.128 -1.326 -15.076 1.00 0.00 H new ATOM 0 HG23 THR A 193 -1.923 -1.812 -13.560 1.00 0.00 H new ATOM 162 N PRO A 194 -3.303 -3.424 -16.688 1.00 0.00 N ATOM 163 CA PRO A 194 -3.904 -2.726 -17.850 1.00 0.00 C ATOM 164 C PRO A 194 -4.191 -1.253 -17.540 1.00 0.00 C ATOM 165 O PRO A 194 -5.317 -0.881 -17.315 1.00 0.00 O ATOM 166 CB PRO A 194 -5.217 -3.494 -18.050 1.00 0.00 C ATOM 167 CG PRO A 194 -5.313 -4.594 -16.975 1.00 0.00 C ATOM 168 CD PRO A 194 -4.180 -4.379 -15.965 1.00 0.00 C ATOM 0 HA PRO A 194 -3.253 -2.716 -18.724 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -6.067 -2.816 -17.974 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -5.249 -3.935 -19.046 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -6.281 -4.553 -16.475 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -5.232 -5.580 -17.432 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -4.544 -3.967 -15.024 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -3.663 -5.309 -15.727 1.00 0.00 H new ATOM 176 N GLU A 195 -3.182 -0.421 -17.530 1.00 0.00 N ATOM 177 CA GLU A 195 -3.399 1.037 -17.234 1.00 0.00 C ATOM 178 C GLU A 195 -4.703 1.498 -17.829 1.00 0.00 C ATOM 179 O GLU A 195 -5.418 2.286 -17.255 1.00 0.00 O ATOM 180 CB GLU A 195 -2.329 1.840 -17.977 1.00 0.00 C ATOM 181 CG GLU A 195 -1.084 0.998 -18.275 1.00 0.00 C ATOM 182 CD GLU A 195 0.018 1.898 -18.835 1.00 0.00 C ATOM 183 OE1 GLU A 195 0.675 2.557 -18.046 1.00 0.00 O ATOM 184 OE2 GLU A 195 0.186 1.914 -20.043 1.00 0.00 O ATOM 0 H GLU A 195 -2.214 -0.684 -17.714 1.00 0.00 H new ATOM 0 HA GLU A 195 -3.376 1.176 -16.153 1.00 0.00 H new ATOM 0 HB2 GLU A 195 -2.743 2.218 -18.912 1.00 0.00 H new ATOM 0 HB3 GLU A 195 -2.046 2.707 -17.380 1.00 0.00 H new ATOM 0 HG2 GLU A 195 -0.739 0.505 -17.366 1.00 0.00 H new ATOM 0 HG3 GLU A 195 -1.326 0.213 -18.991 1.00 0.00 H new ATOM 191 N GLU A 196 -5.004 1.055 -19.004 1.00 0.00 N ATOM 192 CA GLU A 196 -6.248 1.526 -19.617 1.00 0.00 C ATOM 193 C GLU A 196 -7.423 0.998 -18.797 1.00 0.00 C ATOM 194 O GLU A 196 -8.266 1.743 -18.334 1.00 0.00 O ATOM 195 CB GLU A 196 -6.257 0.958 -21.037 1.00 0.00 C ATOM 196 CG GLU A 196 -6.874 1.982 -21.991 1.00 0.00 C ATOM 197 CD GLU A 196 -6.968 1.381 -23.395 1.00 0.00 C ATOM 198 OE1 GLU A 196 -5.928 1.146 -23.987 1.00 0.00 O ATOM 199 OE2 GLU A 196 -8.078 1.166 -23.852 1.00 0.00 O ATOM 0 H GLU A 196 -4.451 0.399 -19.555 1.00 0.00 H new ATOM 0 HA GLU A 196 -6.325 2.613 -19.645 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -5.241 0.718 -21.351 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -6.827 0.029 -21.065 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -7.865 2.270 -21.640 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -6.267 2.887 -22.011 1.00 0.00 H new ATOM 206 N LYS A 197 -7.456 -0.287 -18.584 1.00 0.00 N ATOM 207 CA LYS A 197 -8.542 -0.879 -17.759 1.00 0.00 C ATOM 208 C LYS A 197 -8.328 -0.446 -16.308 1.00 0.00 C ATOM 209 O LYS A 197 -9.257 -0.302 -15.537 1.00 0.00 O ATOM 210 CB LYS A 197 -8.380 -2.393 -17.907 1.00 0.00 C ATOM 211 CG LYS A 197 -9.749 -3.070 -17.818 1.00 0.00 C ATOM 212 CD LYS A 197 -9.563 -4.586 -17.720 1.00 0.00 C ATOM 213 CE LYS A 197 -9.590 -5.197 -19.123 1.00 0.00 C ATOM 214 NZ LYS A 197 -9.878 -6.642 -18.907 1.00 0.00 N ATOM 0 H LYS A 197 -6.775 -0.954 -18.947 1.00 0.00 H new ATOM 0 HA LYS A 197 -9.540 -0.564 -18.063 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -7.910 -2.626 -18.862 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -7.723 -2.776 -17.126 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -10.292 -2.703 -16.948 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -10.347 -2.822 -18.695 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -8.617 -4.816 -17.230 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -10.353 -5.021 -17.107 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -10.356 -4.730 -19.742 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -8.637 -5.056 -19.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -9.912 -7.130 -19.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -9.129 -7.061 -18.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -10.794 -6.745 -18.425 1.00 0.00 H new ATOM 228 N ILE A 198 -7.097 -0.210 -15.945 1.00 0.00 N ATOM 229 CA ILE A 198 -6.805 0.248 -14.566 1.00 0.00 C ATOM 230 C ILE A 198 -7.456 1.614 -14.387 1.00 0.00 C ATOM 231 O ILE A 198 -8.195 1.854 -13.459 1.00 0.00 O ATOM 232 CB ILE A 198 -5.260 0.327 -14.473 1.00 0.00 C ATOM 233 CG1 ILE A 198 -4.816 -0.450 -13.242 1.00 0.00 C ATOM 234 CG2 ILE A 198 -4.790 1.778 -14.313 1.00 0.00 C ATOM 235 CD1 ILE A 198 -5.188 -1.926 -13.404 1.00 0.00 C ATOM 0 H ILE A 198 -6.282 -0.316 -16.549 1.00 0.00 H new ATOM 0 HA ILE A 198 -7.190 -0.412 -13.788 1.00 0.00 H new ATOM 0 HB ILE A 198 -4.833 -0.085 -15.387 1.00 0.00 H new ATOM 0 HG12 ILE A 198 -3.739 -0.349 -13.105 1.00 0.00 H new ATOM 0 HG13 ILE A 198 -5.291 -0.041 -12.350 1.00 0.00 H new ATOM 0 HG21 ILE A 198 -3.702 1.803 -14.250 1.00 0.00 H new ATOM 0 HG22 ILE A 198 -5.118 2.363 -15.172 1.00 0.00 H new ATOM 0 HG23 ILE A 198 -5.216 2.200 -13.403 1.00 0.00 H new ATOM 0 HD11 ILE A 198 -4.869 -2.481 -12.521 1.00 0.00 H new ATOM 0 HD12 ILE A 198 -6.268 -2.018 -13.520 1.00 0.00 H new ATOM 0 HD13 ILE A 198 -4.692 -2.331 -14.286 1.00 0.00 H new ATOM 247 N ARG A 199 -7.191 2.500 -15.299 1.00 0.00 N ATOM 248 CA ARG A 199 -7.793 3.849 -15.224 1.00 0.00 C ATOM 249 C ARG A 199 -9.308 3.701 -15.121 1.00 0.00 C ATOM 250 O ARG A 199 -9.978 4.476 -14.470 1.00 0.00 O ATOM 251 CB ARG A 199 -7.393 4.535 -16.535 1.00 0.00 C ATOM 252 CG ARG A 199 -6.340 5.609 -16.248 1.00 0.00 C ATOM 253 CD ARG A 199 -5.115 5.378 -17.136 1.00 0.00 C ATOM 254 NE ARG A 199 -4.828 6.705 -17.748 1.00 0.00 N ATOM 255 CZ ARG A 199 -4.447 6.781 -18.994 1.00 0.00 C ATOM 256 NH1 ARG A 199 -5.335 6.903 -19.942 1.00 0.00 N ATOM 257 NH2 ARG A 199 -3.176 6.737 -19.291 1.00 0.00 N ATOM 0 H ARG A 199 -6.578 2.344 -16.099 1.00 0.00 H new ATOM 0 HA ARG A 199 -7.459 4.426 -14.362 1.00 0.00 H new ATOM 0 HB2 ARG A 199 -6.997 3.800 -17.236 1.00 0.00 H new ATOM 0 HB3 ARG A 199 -8.268 4.985 -17.004 1.00 0.00 H new ATOM 0 HG2 ARG A 199 -6.756 6.599 -16.435 1.00 0.00 H new ATOM 0 HG3 ARG A 199 -6.051 5.578 -15.197 1.00 0.00 H new ATOM 0 HD2 ARG A 199 -4.266 5.020 -16.553 1.00 0.00 H new ATOM 0 HD3 ARG A 199 -5.317 4.626 -17.899 1.00 0.00 H new ATOM 0 HE ARG A 199 -4.929 7.555 -17.193 1.00 0.00 H new ATOM 0 HH11 ARG A 199 -6.328 6.939 -19.710 1.00 0.00 H new ATOM 0 HH12 ARG A 199 -5.037 6.962 -20.916 1.00 0.00 H new ATOM 0 HH21 ARG A 199 -2.482 6.643 -18.549 1.00 0.00 H new ATOM 0 HH22 ARG A 199 -2.877 6.796 -20.265 1.00 0.00 H new ATOM 271 N GLU A 200 -9.851 2.692 -15.746 1.00 0.00 N ATOM 272 CA GLU A 200 -11.322 2.473 -15.667 1.00 0.00 C ATOM 273 C GLU A 200 -11.721 2.230 -14.234 1.00 0.00 C ATOM 274 O GLU A 200 -12.731 2.722 -13.774 1.00 0.00 O ATOM 275 CB GLU A 200 -11.602 1.244 -16.533 1.00 0.00 C ATOM 276 CG GLU A 200 -12.118 1.687 -17.902 1.00 0.00 C ATOM 277 CD GLU A 200 -13.580 1.264 -18.062 1.00 0.00 C ATOM 278 OE1 GLU A 200 -14.158 0.818 -17.085 1.00 0.00 O ATOM 279 OE2 GLU A 200 -14.096 1.394 -19.160 1.00 0.00 O ATOM 0 H GLU A 200 -9.340 2.011 -16.307 1.00 0.00 H new ATOM 0 HA GLU A 200 -11.891 3.335 -16.016 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -10.693 0.654 -16.649 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -12.337 0.604 -16.046 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -12.029 2.769 -18.003 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -11.512 1.242 -18.691 1.00 0.00 H new ATOM 286 N TYR A 201 -10.952 1.491 -13.507 1.00 0.00 N ATOM 287 CA TYR A 201 -11.345 1.272 -12.108 1.00 0.00 C ATOM 288 C TYR A 201 -10.714 2.343 -11.231 1.00 0.00 C ATOM 289 O TYR A 201 -11.383 3.207 -10.699 1.00 0.00 O ATOM 290 CB TYR A 201 -10.810 -0.103 -11.725 1.00 0.00 C ATOM 291 CG TYR A 201 -11.729 -0.744 -10.713 1.00 0.00 C ATOM 292 CD1 TYR A 201 -12.953 -1.285 -11.122 1.00 0.00 C ATOM 293 CD2 TYR A 201 -11.354 -0.800 -9.367 1.00 0.00 C ATOM 294 CE1 TYR A 201 -13.804 -1.881 -10.182 1.00 0.00 C ATOM 295 CE2 TYR A 201 -12.202 -1.396 -8.427 1.00 0.00 C ATOM 296 CZ TYR A 201 -13.428 -1.937 -8.835 1.00 0.00 C ATOM 297 OH TYR A 201 -14.265 -2.524 -7.908 1.00 0.00 O ATOM 0 H TYR A 201 -10.090 1.040 -13.812 1.00 0.00 H new ATOM 0 HA TYR A 201 -12.426 1.323 -11.978 1.00 0.00 H new ATOM 0 HB2 TYR A 201 -10.733 -0.733 -12.611 1.00 0.00 H new ATOM 0 HB3 TYR A 201 -9.806 -0.011 -11.311 1.00 0.00 H new ATOM 0 HD1 TYR A 201 -13.242 -1.243 -12.162 1.00 0.00 H new ATOM 0 HD2 TYR A 201 -10.409 -0.383 -9.053 1.00 0.00 H new ATOM 0 HE1 TYR A 201 -14.750 -2.297 -10.497 1.00 0.00 H new ATOM 0 HE2 TYR A 201 -11.912 -1.439 -7.388 1.00 0.00 H new ATOM 0 HH TYR A 201 -13.852 -2.480 -7.020 1.00 0.00 H new ATOM 307 N PHE A 202 -9.421 2.295 -11.087 1.00 0.00 N ATOM 308 CA PHE A 202 -8.736 3.308 -10.254 1.00 0.00 C ATOM 309 C PHE A 202 -9.038 4.692 -10.816 1.00 0.00 C ATOM 310 O PHE A 202 -9.512 5.566 -10.117 1.00 0.00 O ATOM 311 CB PHE A 202 -7.235 2.981 -10.346 1.00 0.00 C ATOM 312 CG PHE A 202 -6.978 1.559 -9.897 1.00 0.00 C ATOM 313 CD1 PHE A 202 -6.722 1.279 -8.548 1.00 0.00 C ATOM 314 CD2 PHE A 202 -6.990 0.521 -10.837 1.00 0.00 C ATOM 315 CE1 PHE A 202 -6.481 -0.041 -8.141 1.00 0.00 C ATOM 316 CE2 PHE A 202 -6.751 -0.798 -10.429 1.00 0.00 C ATOM 317 CZ PHE A 202 -6.495 -1.078 -9.082 1.00 0.00 C ATOM 0 H PHE A 202 -8.812 1.596 -11.512 1.00 0.00 H new ATOM 0 HA PHE A 202 -9.065 3.296 -9.215 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -6.889 3.114 -11.371 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -6.666 3.674 -9.726 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -6.710 2.079 -7.823 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -7.184 0.737 -11.877 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -6.285 -0.258 -7.101 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -6.764 -1.598 -11.154 1.00 0.00 H new ATOM 0 HZ PHE A 202 -6.308 -2.094 -8.768 1.00 0.00 H new ATOM 327 N GLY A 203 -8.813 4.891 -12.083 1.00 0.00 N ATOM 328 CA GLY A 203 -9.143 6.208 -12.675 1.00 0.00 C ATOM 329 C GLY A 203 -10.622 6.449 -12.411 1.00 0.00 C ATOM 330 O GLY A 203 -11.085 7.569 -12.324 1.00 0.00 O ATOM 0 H GLY A 203 -8.419 4.204 -12.726 1.00 0.00 H new ATOM 0 HA2 GLY A 203 -8.537 6.996 -12.228 1.00 0.00 H new ATOM 0 HA3 GLY A 203 -8.935 6.214 -13.745 1.00 0.00 H new ATOM 334 N GLY A 204 -11.364 5.383 -12.253 1.00 0.00 N ATOM 335 CA GLY A 204 -12.811 5.518 -11.960 1.00 0.00 C ATOM 336 C GLY A 204 -12.959 6.302 -10.661 1.00 0.00 C ATOM 337 O GLY A 204 -13.758 7.212 -10.562 1.00 0.00 O ATOM 0 H GLY A 204 -11.023 4.424 -12.316 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -13.318 6.033 -12.776 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -13.274 4.536 -11.867 1.00 0.00 H new ATOM 341 N PHE A 205 -12.177 5.972 -9.664 1.00 0.00 N ATOM 342 CA PHE A 205 -12.273 6.731 -8.385 1.00 0.00 C ATOM 343 C PHE A 205 -11.928 8.195 -8.644 1.00 0.00 C ATOM 344 O PHE A 205 -12.543 9.102 -8.117 1.00 0.00 O ATOM 345 CB PHE A 205 -11.231 6.098 -7.470 1.00 0.00 C ATOM 346 CG PHE A 205 -11.709 4.740 -7.033 1.00 0.00 C ATOM 347 CD1 PHE A 205 -12.487 4.616 -5.880 1.00 0.00 C ATOM 348 CD2 PHE A 205 -11.364 3.606 -7.774 1.00 0.00 C ATOM 349 CE1 PHE A 205 -12.923 3.358 -5.462 1.00 0.00 C ATOM 350 CE2 PHE A 205 -11.803 2.342 -7.359 1.00 0.00 C ATOM 351 CZ PHE A 205 -12.581 2.217 -6.201 1.00 0.00 C ATOM 0 H PHE A 205 -11.487 5.221 -9.681 1.00 0.00 H new ATOM 0 HA PHE A 205 -13.271 6.695 -7.947 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -10.278 6.010 -7.992 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -11.061 6.733 -6.601 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -12.752 5.495 -5.311 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -10.760 3.704 -8.664 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -13.524 3.264 -4.569 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -11.542 1.464 -7.932 1.00 0.00 H new ATOM 0 HZ PHE A 205 -12.917 1.243 -5.878 1.00 0.00 H new ATOM 361 N GLY A 206 -10.943 8.421 -9.465 1.00 0.00 N ATOM 362 CA GLY A 206 -10.528 9.810 -9.793 1.00 0.00 C ATOM 363 C GLY A 206 -9.586 9.758 -10.992 1.00 0.00 C ATOM 364 O GLY A 206 -8.760 8.874 -11.097 1.00 0.00 O ATOM 0 H GLY A 206 -10.401 7.692 -9.929 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -11.400 10.423 -10.021 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -10.030 10.269 -8.939 1.00 0.00 H new ATOM 368 N GLU A 207 -9.703 10.683 -11.906 1.00 0.00 N ATOM 369 CA GLU A 207 -8.805 10.655 -13.095 1.00 0.00 C ATOM 370 C GLU A 207 -7.377 10.326 -12.667 1.00 0.00 C ATOM 371 O GLU A 207 -6.918 10.735 -11.619 1.00 0.00 O ATOM 372 CB GLU A 207 -8.869 12.056 -13.695 1.00 0.00 C ATOM 373 CG GLU A 207 -8.554 13.090 -12.613 1.00 0.00 C ATOM 374 CD GLU A 207 -7.189 13.722 -12.891 1.00 0.00 C ATOM 375 OE1 GLU A 207 -6.850 13.864 -14.055 1.00 0.00 O ATOM 376 OE2 GLU A 207 -6.507 14.057 -11.936 1.00 0.00 O ATOM 0 H GLU A 207 -10.375 11.450 -11.882 1.00 0.00 H new ATOM 0 HA GLU A 207 -9.111 9.896 -13.815 1.00 0.00 H new ATOM 0 HB2 GLU A 207 -8.157 12.144 -14.516 1.00 0.00 H new ATOM 0 HB3 GLU A 207 -9.859 12.240 -14.111 1.00 0.00 H new ATOM 0 HG2 GLU A 207 -9.326 13.860 -12.595 1.00 0.00 H new ATOM 0 HG3 GLU A 207 -8.554 12.616 -11.631 1.00 0.00 H new ATOM 383 N VAL A 208 -6.678 9.576 -13.466 1.00 0.00 N ATOM 384 CA VAL A 208 -5.290 9.200 -13.111 1.00 0.00 C ATOM 385 C VAL A 208 -4.292 9.897 -14.026 1.00 0.00 C ATOM 386 O VAL A 208 -4.573 10.178 -15.174 1.00 0.00 O ATOM 387 CB VAL A 208 -5.244 7.691 -13.354 1.00 0.00 C ATOM 388 CG1 VAL A 208 -3.789 7.223 -13.479 1.00 0.00 C ATOM 389 CG2 VAL A 208 -5.922 6.975 -12.189 1.00 0.00 C ATOM 0 H VAL A 208 -7.013 9.206 -14.356 1.00 0.00 H new ATOM 0 HA VAL A 208 -5.033 9.481 -12.090 1.00 0.00 H new ATOM 0 HB VAL A 208 -5.767 7.457 -14.281 1.00 0.00 H new ATOM 0 HG11 VAL A 208 -3.766 6.147 -13.652 1.00 0.00 H new ATOM 0 HG12 VAL A 208 -3.313 7.735 -14.315 1.00 0.00 H new ATOM 0 HG13 VAL A 208 -3.252 7.454 -12.559 1.00 0.00 H new ATOM 0 HG21 VAL A 208 -5.892 5.898 -12.357 1.00 0.00 H new ATOM 0 HG22 VAL A 208 -5.400 7.212 -11.262 1.00 0.00 H new ATOM 0 HG23 VAL A 208 -6.959 7.302 -12.115 1.00 0.00 H new ATOM 399 N GLU A 209 -3.109 10.120 -13.543 1.00 0.00 N ATOM 400 CA GLU A 209 -2.073 10.731 -14.405 1.00 0.00 C ATOM 401 C GLU A 209 -1.381 9.575 -15.112 1.00 0.00 C ATOM 402 O GLU A 209 -1.398 9.467 -16.322 1.00 0.00 O ATOM 403 CB GLU A 209 -1.117 11.455 -13.458 1.00 0.00 C ATOM 404 CG GLU A 209 0.037 12.055 -14.262 1.00 0.00 C ATOM 405 CD GLU A 209 -0.063 13.581 -14.237 1.00 0.00 C ATOM 406 OE1 GLU A 209 0.028 14.143 -13.159 1.00 0.00 O ATOM 407 OE2 GLU A 209 -0.229 14.162 -15.298 1.00 0.00 O ATOM 0 H GLU A 209 -2.815 9.906 -12.590 1.00 0.00 H new ATOM 0 HA GLU A 209 -2.455 11.433 -15.146 1.00 0.00 H new ATOM 0 HB2 GLU A 209 -1.647 12.241 -12.920 1.00 0.00 H new ATOM 0 HB3 GLU A 209 -0.732 10.761 -12.711 1.00 0.00 H new ATOM 0 HG2 GLU A 209 0.991 11.736 -13.843 1.00 0.00 H new ATOM 0 HG3 GLU A 209 0.004 11.695 -15.290 1.00 0.00 H new ATOM 414 N SER A 210 -0.823 8.674 -14.353 1.00 0.00 N ATOM 415 CA SER A 210 -0.190 7.483 -14.958 1.00 0.00 C ATOM 416 C SER A 210 -0.237 6.354 -13.942 1.00 0.00 C ATOM 417 O SER A 210 -0.447 6.587 -12.771 1.00 0.00 O ATOM 418 CB SER A 210 1.248 7.885 -15.274 1.00 0.00 C ATOM 419 OG SER A 210 1.268 9.220 -15.759 1.00 0.00 O ATOM 0 H SER A 210 -0.781 8.717 -13.335 1.00 0.00 H new ATOM 0 HA SER A 210 -0.692 7.144 -15.864 1.00 0.00 H new ATOM 0 HB2 SER A 210 1.866 7.802 -14.380 1.00 0.00 H new ATOM 0 HB3 SER A 210 1.671 7.210 -16.018 1.00 0.00 H new ATOM 0 HG SER A 210 2.191 9.481 -15.961 1.00 0.00 H new ATOM 425 N ILE A 211 -0.039 5.141 -14.350 1.00 0.00 N ATOM 426 CA ILE A 211 -0.074 4.051 -13.347 1.00 0.00 C ATOM 427 C ILE A 211 1.308 3.458 -13.165 1.00 0.00 C ATOM 428 O ILE A 211 2.295 3.972 -13.651 1.00 0.00 O ATOM 429 CB ILE A 211 -1.029 2.997 -13.872 1.00 0.00 C ATOM 430 CG1 ILE A 211 -0.439 2.332 -15.118 1.00 0.00 C ATOM 431 CG2 ILE A 211 -2.359 3.651 -14.213 1.00 0.00 C ATOM 432 CD1 ILE A 211 0.451 1.160 -14.699 1.00 0.00 C ATOM 0 H ILE A 211 0.142 4.858 -15.313 1.00 0.00 H new ATOM 0 HA ILE A 211 -0.402 4.428 -12.378 1.00 0.00 H new ATOM 0 HB ILE A 211 -1.184 2.235 -13.108 1.00 0.00 H new ATOM 0 HG12 ILE A 211 -1.239 1.980 -15.769 1.00 0.00 H new ATOM 0 HG13 ILE A 211 0.141 3.057 -15.690 1.00 0.00 H new ATOM 0 HG21 ILE A 211 -3.049 2.897 -14.591 1.00 0.00 H new ATOM 0 HG22 ILE A 211 -2.778 4.111 -13.318 1.00 0.00 H new ATOM 0 HG23 ILE A 211 -2.204 4.415 -14.975 1.00 0.00 H new ATOM 0 HD11 ILE A 211 0.871 0.687 -15.586 1.00 0.00 H new ATOM 0 HD12 ILE A 211 1.259 1.525 -14.066 1.00 0.00 H new ATOM 0 HD13 ILE A 211 -0.143 0.432 -14.146 1.00 0.00 H new ATOM 444 N GLU A 212 1.384 2.386 -12.449 1.00 0.00 N ATOM 445 CA GLU A 212 2.707 1.759 -12.210 1.00 0.00 C ATOM 446 C GLU A 212 2.577 0.252 -11.966 1.00 0.00 C ATOM 447 O GLU A 212 1.701 -0.205 -11.267 1.00 0.00 O ATOM 448 CB GLU A 212 3.224 2.467 -10.957 1.00 0.00 C ATOM 449 CG GLU A 212 4.352 1.647 -10.324 1.00 0.00 C ATOM 450 CD GLU A 212 5.136 2.525 -9.347 1.00 0.00 C ATOM 451 OE1 GLU A 212 4.538 3.422 -8.775 1.00 0.00 O ATOM 452 OE2 GLU A 212 6.321 2.284 -9.186 1.00 0.00 O ATOM 0 H GLU A 212 0.591 1.913 -12.017 1.00 0.00 H new ATOM 0 HA GLU A 212 3.375 1.861 -13.065 1.00 0.00 H new ATOM 0 HB2 GLU A 212 3.586 3.462 -11.214 1.00 0.00 H new ATOM 0 HB3 GLU A 212 2.412 2.598 -10.242 1.00 0.00 H new ATOM 0 HG2 GLU A 212 3.939 0.783 -9.802 1.00 0.00 H new ATOM 0 HG3 GLU A 212 5.016 1.264 -11.099 1.00 0.00 H new ATOM 459 N LEU A 213 3.473 -0.516 -12.508 1.00 0.00 N ATOM 460 CA LEU A 213 3.438 -1.986 -12.270 1.00 0.00 C ATOM 461 C LEU A 213 4.458 -2.295 -11.179 1.00 0.00 C ATOM 462 O LEU A 213 5.079 -1.384 -10.668 1.00 0.00 O ATOM 463 CB LEU A 213 3.857 -2.613 -13.590 1.00 0.00 C ATOM 464 CG LEU A 213 2.631 -3.123 -14.332 1.00 0.00 C ATOM 465 CD1 LEU A 213 3.004 -3.437 -15.782 1.00 0.00 C ATOM 466 CD2 LEU A 213 2.102 -4.389 -13.656 1.00 0.00 C ATOM 0 H LEU A 213 4.232 -0.192 -13.108 1.00 0.00 H new ATOM 0 HA LEU A 213 2.464 -2.360 -11.955 1.00 0.00 H new ATOM 0 HB2 LEU A 213 4.383 -1.879 -14.200 1.00 0.00 H new ATOM 0 HB3 LEU A 213 4.551 -3.434 -13.409 1.00 0.00 H new ATOM 0 HG LEU A 213 1.857 -2.356 -14.312 1.00 0.00 H new ATOM 0 HD11 LEU A 213 2.125 -3.802 -16.313 1.00 0.00 H new ATOM 0 HD12 LEU A 213 3.371 -2.533 -16.267 1.00 0.00 H new ATOM 0 HD13 LEU A 213 3.782 -4.200 -15.800 1.00 0.00 H new ATOM 0 HD21 LEU A 213 1.224 -4.748 -14.193 1.00 0.00 H new ATOM 0 HD22 LEU A 213 2.875 -5.158 -13.668 1.00 0.00 H new ATOM 0 HD23 LEU A 213 1.830 -4.164 -12.625 1.00 0.00 H new ATOM 478 N PRO A 214 4.628 -3.545 -10.834 1.00 0.00 N ATOM 479 CA PRO A 214 5.604 -3.862 -9.794 1.00 0.00 C ATOM 480 C PRO A 214 6.995 -3.370 -10.208 1.00 0.00 C ATOM 481 O PRO A 214 7.454 -2.342 -9.759 1.00 0.00 O ATOM 482 CB PRO A 214 5.542 -5.388 -9.704 1.00 0.00 C ATOM 483 CG PRO A 214 4.497 -5.890 -10.714 1.00 0.00 C ATOM 484 CD PRO A 214 3.887 -4.676 -11.431 1.00 0.00 C ATOM 0 HA PRO A 214 5.397 -3.385 -8.836 1.00 0.00 H new ATOM 0 HB2 PRO A 214 6.518 -5.821 -9.921 1.00 0.00 H new ATOM 0 HB3 PRO A 214 5.273 -5.698 -8.694 1.00 0.00 H new ATOM 0 HG2 PRO A 214 4.961 -6.562 -11.436 1.00 0.00 H new ATOM 0 HG3 PRO A 214 3.719 -6.458 -10.203 1.00 0.00 H new ATOM 0 HD2 PRO A 214 4.029 -4.729 -12.510 1.00 0.00 H new ATOM 0 HD3 PRO A 214 2.814 -4.597 -11.254 1.00 0.00 H new ATOM 662 N PHE A 225 3.332 -6.745 -6.994 1.00 0.00 N ATOM 663 CA PHE A 225 2.326 -5.660 -6.789 1.00 0.00 C ATOM 664 C PHE A 225 2.441 -4.613 -7.890 1.00 0.00 C ATOM 665 O PHE A 225 3.412 -4.553 -8.610 1.00 0.00 O ATOM 666 CB PHE A 225 2.652 -5.015 -5.438 1.00 0.00 C ATOM 667 CG PHE A 225 4.144 -4.999 -5.213 1.00 0.00 C ATOM 668 CD1 PHE A 225 4.925 -3.993 -5.791 1.00 0.00 C ATOM 669 CD2 PHE A 225 4.745 -5.987 -4.426 1.00 0.00 C ATOM 670 CE1 PHE A 225 6.309 -3.974 -5.583 1.00 0.00 C ATOM 671 CE2 PHE A 225 6.130 -5.970 -4.217 1.00 0.00 C ATOM 672 CZ PHE A 225 6.911 -4.963 -4.796 1.00 0.00 C ATOM 0 HA PHE A 225 1.313 -6.062 -6.812 1.00 0.00 H new ATOM 0 HB2 PHE A 225 2.262 -3.998 -5.409 1.00 0.00 H new ATOM 0 HB3 PHE A 225 2.162 -5.567 -4.636 1.00 0.00 H new ATOM 0 HD1 PHE A 225 4.460 -3.230 -6.398 1.00 0.00 H new ATOM 0 HD2 PHE A 225 4.141 -6.763 -3.979 1.00 0.00 H new ATOM 0 HE1 PHE A 225 6.912 -3.197 -6.029 1.00 0.00 H new ATOM 0 HE2 PHE A 225 6.595 -6.733 -3.610 1.00 0.00 H new ATOM 0 HZ PHE A 225 7.979 -4.949 -4.635 1.00 0.00 H new ATOM 682 N CYS A 226 1.457 -3.776 -8.007 1.00 0.00 N ATOM 683 CA CYS A 226 1.507 -2.715 -9.043 1.00 0.00 C ATOM 684 C CYS A 226 0.986 -1.404 -8.436 1.00 0.00 C ATOM 685 O CYS A 226 -0.070 -1.368 -7.839 1.00 0.00 O ATOM 686 CB CYS A 226 0.587 -3.219 -10.170 1.00 0.00 C ATOM 687 SG CYS A 226 -1.155 -2.939 -9.756 1.00 0.00 S ATOM 0 H CYS A 226 0.617 -3.780 -7.429 1.00 0.00 H new ATOM 0 HA CYS A 226 2.512 -2.520 -9.417 1.00 0.00 H new ATOM 0 HB2 CYS A 226 0.831 -2.706 -11.101 1.00 0.00 H new ATOM 0 HB3 CYS A 226 0.759 -4.282 -10.337 1.00 0.00 H new ATOM 0 HG CYS A 226 -1.252 -1.920 -8.954 1.00 0.00 H new ATOM 693 N PHE A 227 1.704 -0.329 -8.575 1.00 0.00 N ATOM 694 CA PHE A 227 1.206 0.950 -7.998 1.00 0.00 C ATOM 695 C PHE A 227 0.478 1.739 -9.081 1.00 0.00 C ATOM 696 O PHE A 227 0.317 1.286 -10.191 1.00 0.00 O ATOM 697 CB PHE A 227 2.443 1.732 -7.538 1.00 0.00 C ATOM 698 CG PHE A 227 3.037 1.141 -6.275 1.00 0.00 C ATOM 699 CD1 PHE A 227 3.270 -0.244 -6.152 1.00 0.00 C ATOM 700 CD2 PHE A 227 3.385 2.001 -5.225 1.00 0.00 C ATOM 701 CE1 PHE A 227 3.850 -0.752 -4.981 1.00 0.00 C ATOM 702 CE2 PHE A 227 3.958 1.486 -4.055 1.00 0.00 C ATOM 703 CZ PHE A 227 4.192 0.112 -3.934 1.00 0.00 C ATOM 0 H PHE A 227 2.602 -0.277 -9.056 1.00 0.00 H new ATOM 0 HA PHE A 227 0.518 0.776 -7.171 1.00 0.00 H new ATOM 0 HB2 PHE A 227 3.192 1.728 -8.330 1.00 0.00 H new ATOM 0 HB3 PHE A 227 2.172 2.773 -7.361 1.00 0.00 H new ATOM 0 HD1 PHE A 227 3.002 -0.912 -6.958 1.00 0.00 H new ATOM 0 HD2 PHE A 227 3.211 3.063 -5.318 1.00 0.00 H new ATOM 0 HE1 PHE A 227 4.033 -1.812 -4.887 1.00 0.00 H new ATOM 0 HE2 PHE A 227 4.220 2.151 -3.245 1.00 0.00 H new ATOM 0 HZ PHE A 227 4.637 -0.282 -3.032 1.00 0.00 H new ATOM 713 N ILE A 228 0.058 2.923 -8.763 1.00 0.00 N ATOM 714 CA ILE A 228 -0.640 3.780 -9.760 1.00 0.00 C ATOM 715 C ILE A 228 -0.586 5.222 -9.248 1.00 0.00 C ATOM 716 O ILE A 228 -0.843 5.469 -8.086 1.00 0.00 O ATOM 717 CB ILE A 228 -2.083 3.276 -9.795 1.00 0.00 C ATOM 718 CG1 ILE A 228 -2.129 1.930 -10.540 1.00 0.00 C ATOM 719 CG2 ILE A 228 -2.954 4.316 -10.510 1.00 0.00 C ATOM 720 CD1 ILE A 228 -3.487 1.734 -11.218 1.00 0.00 C ATOM 0 H ILE A 228 0.168 3.344 -7.841 1.00 0.00 H new ATOM 0 HA ILE A 228 -0.195 3.743 -10.754 1.00 0.00 H new ATOM 0 HB ILE A 228 -2.461 3.130 -8.783 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -1.336 1.894 -11.287 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -1.945 1.115 -9.840 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.986 3.967 -10.541 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -2.907 5.262 -9.971 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.589 4.459 -11.527 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -3.499 0.777 -11.739 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -4.275 1.747 -10.465 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -3.656 2.539 -11.934 1.00 0.00 H new ATOM 732 N THR A 229 -0.246 6.184 -10.064 1.00 0.00 N ATOM 733 CA THR A 229 -0.182 7.574 -9.534 1.00 0.00 C ATOM 734 C THR A 229 -1.305 8.412 -10.117 1.00 0.00 C ATOM 735 O THR A 229 -1.687 8.267 -11.262 1.00 0.00 O ATOM 736 CB THR A 229 1.185 8.116 -9.956 1.00 0.00 C ATOM 737 OG1 THR A 229 1.458 9.308 -9.235 1.00 0.00 O ATOM 738 CG2 THR A 229 1.188 8.419 -11.454 1.00 0.00 C ATOM 0 H THR A 229 -0.015 6.072 -11.051 1.00 0.00 H new ATOM 0 HA THR A 229 -0.300 7.603 -8.451 1.00 0.00 H new ATOM 0 HB THR A 229 1.949 7.369 -9.741 1.00 0.00 H new ATOM 0 HG1 THR A 229 2.334 9.658 -9.501 1.00 0.00 H new ATOM 0 HG21 THR A 229 2.165 8.804 -11.745 1.00 0.00 H new ATOM 0 HG22 THR A 229 0.978 7.506 -12.010 1.00 0.00 H new ATOM 0 HG23 THR A 229 0.423 9.163 -11.676 1.00 0.00 H new ATOM 746 N PHE A 230 -1.837 9.286 -9.327 1.00 0.00 N ATOM 747 CA PHE A 230 -2.960 10.147 -9.829 1.00 0.00 C ATOM 748 C PHE A 230 -2.485 11.585 -10.125 1.00 0.00 C ATOM 749 O PHE A 230 -1.557 11.785 -10.883 1.00 0.00 O ATOM 750 CB PHE A 230 -4.028 10.115 -8.733 1.00 0.00 C ATOM 751 CG PHE A 230 -4.734 8.782 -8.769 1.00 0.00 C ATOM 752 CD1 PHE A 230 -4.179 7.676 -8.113 1.00 0.00 C ATOM 753 CD2 PHE A 230 -5.946 8.651 -9.459 1.00 0.00 C ATOM 754 CE1 PHE A 230 -4.834 6.440 -8.147 1.00 0.00 C ATOM 755 CE2 PHE A 230 -6.601 7.413 -9.492 1.00 0.00 C ATOM 756 CZ PHE A 230 -6.046 6.309 -8.836 1.00 0.00 C ATOM 0 H PHE A 230 -1.556 9.451 -8.361 1.00 0.00 H new ATOM 0 HA PHE A 230 -3.354 9.775 -10.775 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -3.569 10.271 -7.757 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -4.744 10.924 -8.882 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -3.245 7.777 -7.581 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -6.375 9.503 -9.965 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -4.405 5.587 -7.642 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -7.535 7.311 -10.024 1.00 0.00 H new ATOM 0 HZ PHE A 230 -6.552 5.355 -8.861 1.00 0.00 H new ATOM 766 N LYS A 231 -3.125 12.590 -9.569 1.00 0.00 N ATOM 767 CA LYS A 231 -2.709 13.993 -9.869 1.00 0.00 C ATOM 768 C LYS A 231 -2.759 14.869 -8.607 1.00 0.00 C ATOM 769 O LYS A 231 -1.776 15.474 -8.225 1.00 0.00 O ATOM 770 CB LYS A 231 -3.730 14.476 -10.895 1.00 0.00 C ATOM 771 CG LYS A 231 -3.587 15.986 -11.093 1.00 0.00 C ATOM 772 CD LYS A 231 -4.804 16.697 -10.500 1.00 0.00 C ATOM 773 CE LYS A 231 -4.337 17.814 -9.563 1.00 0.00 C ATOM 774 NZ LYS A 231 -5.450 18.805 -9.555 1.00 0.00 N ATOM 0 H LYS A 231 -3.911 12.497 -8.926 1.00 0.00 H new ATOM 0 HA LYS A 231 -1.684 14.048 -10.235 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -3.580 13.959 -11.843 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -4.739 14.238 -10.558 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -2.675 16.342 -10.613 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -3.499 16.217 -12.155 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -5.421 17.111 -11.298 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -5.424 15.986 -9.954 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -4.142 17.432 -8.561 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -3.410 18.265 -9.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -5.092 19.726 -9.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -5.835 18.902 -10.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -6.200 18.479 -8.913 1.00 0.00 H new ATOM 788 N GLU A 232 -3.887 14.940 -7.956 1.00 0.00 N ATOM 789 CA GLU A 232 -3.978 15.776 -6.722 1.00 0.00 C ATOM 790 C GLU A 232 -3.690 14.922 -5.484 1.00 0.00 C ATOM 791 O GLU A 232 -2.669 15.068 -4.845 1.00 0.00 O ATOM 792 CB GLU A 232 -5.414 16.300 -6.697 1.00 0.00 C ATOM 793 CG GLU A 232 -5.522 17.448 -5.690 1.00 0.00 C ATOM 794 CD GLU A 232 -6.211 18.643 -6.349 1.00 0.00 C ATOM 795 OE1 GLU A 232 -7.147 18.422 -7.098 1.00 0.00 O ATOM 796 OE2 GLU A 232 -5.791 19.759 -6.092 1.00 0.00 O ATOM 0 H GLU A 232 -4.746 14.459 -8.222 1.00 0.00 H new ATOM 0 HA GLU A 232 -3.253 16.590 -6.720 1.00 0.00 H new ATOM 0 HB2 GLU A 232 -5.704 16.645 -7.690 1.00 0.00 H new ATOM 0 HB3 GLU A 232 -6.100 15.498 -6.425 1.00 0.00 H new ATOM 0 HG2 GLU A 232 -6.087 17.126 -4.815 1.00 0.00 H new ATOM 0 HG3 GLU A 232 -4.530 17.734 -5.341 1.00 0.00 H new ATOM 803 N GLU A 233 -4.585 14.027 -5.151 1.00 0.00 N ATOM 804 CA GLU A 233 -4.389 13.140 -3.959 1.00 0.00 C ATOM 805 C GLU A 233 -5.730 12.460 -3.616 1.00 0.00 C ATOM 806 O GLU A 233 -5.787 11.348 -3.114 1.00 0.00 O ATOM 807 CB GLU A 233 -3.974 14.067 -2.809 1.00 0.00 C ATOM 808 CG GLU A 233 -4.897 15.290 -2.757 1.00 0.00 C ATOM 809 CD GLU A 233 -4.090 16.519 -2.334 1.00 0.00 C ATOM 810 OE1 GLU A 233 -3.449 17.105 -3.191 1.00 0.00 O ATOM 811 OE2 GLU A 233 -4.128 16.853 -1.162 1.00 0.00 O ATOM 0 H GLU A 233 -5.455 13.870 -5.660 1.00 0.00 H new ATOM 0 HA GLU A 233 -3.642 12.367 -4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -4.019 13.528 -1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -2.941 14.387 -2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -5.351 15.458 -3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -5.711 15.116 -2.053 1.00 0.00 H new ATOM 818 N GLU A 234 -6.808 13.152 -3.886 1.00 0.00 N ATOM 819 CA GLU A 234 -8.176 12.620 -3.597 1.00 0.00 C ATOM 820 C GLU A 234 -8.382 11.183 -4.112 1.00 0.00 C ATOM 821 O GLU A 234 -8.876 10.343 -3.381 1.00 0.00 O ATOM 822 CB GLU A 234 -9.121 13.581 -4.321 1.00 0.00 C ATOM 823 CG GLU A 234 -9.813 14.489 -3.300 1.00 0.00 C ATOM 824 CD GLU A 234 -8.765 15.146 -2.402 1.00 0.00 C ATOM 825 OE1 GLU A 234 -7.828 15.717 -2.938 1.00 0.00 O ATOM 826 OE2 GLU A 234 -8.916 15.070 -1.194 1.00 0.00 O ATOM 0 H GLU A 234 -6.797 14.083 -4.303 1.00 0.00 H new ATOM 0 HA GLU A 234 -8.351 12.565 -2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -8.564 14.183 -5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -9.865 13.019 -4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -10.396 15.253 -3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -10.511 13.908 -2.697 1.00 0.00 H new ATOM 833 N PRO A 235 -8.031 10.926 -5.353 1.00 0.00 N ATOM 834 CA PRO A 235 -8.231 9.570 -5.913 1.00 0.00 C ATOM 835 C PRO A 235 -7.636 8.514 -4.984 1.00 0.00 C ATOM 836 O PRO A 235 -8.189 7.446 -4.814 1.00 0.00 O ATOM 837 CB PRO A 235 -7.506 9.646 -7.257 1.00 0.00 C ATOM 838 CG PRO A 235 -6.941 11.069 -7.428 1.00 0.00 C ATOM 839 CD PRO A 235 -7.414 11.933 -6.250 1.00 0.00 C ATOM 0 HA PRO A 235 -9.277 9.283 -6.026 1.00 0.00 H new ATOM 0 HB2 PRO A 235 -6.701 8.912 -7.295 1.00 0.00 H new ATOM 0 HB3 PRO A 235 -8.192 9.410 -8.071 1.00 0.00 H new ATOM 0 HG2 PRO A 235 -5.852 11.041 -7.462 1.00 0.00 H new ATOM 0 HG3 PRO A 235 -7.279 11.499 -8.371 1.00 0.00 H new ATOM 0 HD2 PRO A 235 -6.586 12.454 -5.769 1.00 0.00 H new ATOM 0 HD3 PRO A 235 -8.130 12.693 -6.564 1.00 0.00 H new ATOM 847 N VAL A 236 -6.534 8.807 -4.352 1.00 0.00 N ATOM 848 CA VAL A 236 -5.952 7.814 -3.411 1.00 0.00 C ATOM 849 C VAL A 236 -6.888 7.676 -2.223 1.00 0.00 C ATOM 850 O VAL A 236 -7.146 6.596 -1.743 1.00 0.00 O ATOM 851 CB VAL A 236 -4.617 8.402 -2.962 1.00 0.00 C ATOM 852 CG1 VAL A 236 -4.207 7.800 -1.613 1.00 0.00 C ATOM 853 CG2 VAL A 236 -3.558 8.072 -3.998 1.00 0.00 C ATOM 0 H VAL A 236 -6.017 9.681 -4.445 1.00 0.00 H new ATOM 0 HA VAL A 236 -5.816 6.832 -3.864 1.00 0.00 H new ATOM 0 HB VAL A 236 -4.715 9.482 -2.857 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -3.253 8.225 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -4.968 8.027 -0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -4.108 6.719 -1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -2.601 8.489 -3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -3.469 6.990 -4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -3.843 8.500 -4.959 1.00 0.00 H new ATOM 863 N LYS A 237 -7.401 8.773 -1.751 1.00 0.00 N ATOM 864 CA LYS A 237 -8.333 8.705 -0.594 1.00 0.00 C ATOM 865 C LYS A 237 -9.313 7.576 -0.825 1.00 0.00 C ATOM 866 O LYS A 237 -9.589 6.767 0.042 1.00 0.00 O ATOM 867 CB LYS A 237 -9.098 10.021 -0.603 1.00 0.00 C ATOM 868 CG LYS A 237 -9.047 10.656 0.786 1.00 0.00 C ATOM 869 CD LYS A 237 -10.457 10.701 1.378 1.00 0.00 C ATOM 870 CE LYS A 237 -10.882 12.158 1.576 1.00 0.00 C ATOM 871 NZ LYS A 237 -12.106 12.091 2.419 1.00 0.00 N ATOM 0 H LYS A 237 -7.218 9.709 -2.112 1.00 0.00 H new ATOM 0 HA LYS A 237 -7.807 8.540 0.346 1.00 0.00 H new ATOM 0 HB2 LYS A 237 -8.666 10.699 -1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 237 -10.133 9.849 -0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 237 -8.386 10.082 1.436 1.00 0.00 H new ATOM 0 HG3 LYS A 237 -8.635 11.663 0.722 1.00 0.00 H new ATOM 0 HD2 LYS A 237 -11.158 10.194 0.715 1.00 0.00 H new ATOM 0 HD3 LYS A 237 -10.480 10.172 2.331 1.00 0.00 H new ATOM 0 HE2 LYS A 237 -10.097 12.735 2.065 1.00 0.00 H new ATOM 0 HE3 LYS A 237 -11.086 12.643 0.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 237 -12.457 13.053 2.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 237 -12.838 11.542 1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 237 -11.880 11.631 3.324 1.00 0.00 H new ATOM 885 N LYS A 238 -9.843 7.521 -2.008 1.00 0.00 N ATOM 886 CA LYS A 238 -10.819 6.455 -2.316 1.00 0.00 C ATOM 887 C LYS A 238 -10.108 5.119 -2.425 1.00 0.00 C ATOM 888 O LYS A 238 -10.347 4.202 -1.664 1.00 0.00 O ATOM 889 CB LYS A 238 -11.420 6.814 -3.669 1.00 0.00 C ATOM 890 CG LYS A 238 -12.898 7.165 -3.495 1.00 0.00 C ATOM 891 CD LYS A 238 -13.220 8.431 -4.292 1.00 0.00 C ATOM 892 CE LYS A 238 -14.582 8.273 -4.971 1.00 0.00 C ATOM 893 NZ LYS A 238 -14.468 9.046 -6.238 1.00 0.00 N ATOM 0 H LYS A 238 -9.642 8.167 -2.772 1.00 0.00 H new ATOM 0 HA LYS A 238 -11.579 6.376 -1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 238 -10.884 7.657 -4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 238 -11.313 5.978 -4.360 1.00 0.00 H new ATOM 0 HG2 LYS A 238 -13.521 6.339 -3.837 1.00 0.00 H new ATOM 0 HG3 LYS A 238 -13.124 7.319 -2.440 1.00 0.00 H new ATOM 0 HD2 LYS A 238 -13.230 9.297 -3.631 1.00 0.00 H new ATOM 0 HD3 LYS A 238 -12.447 8.609 -5.040 1.00 0.00 H new ATOM 0 HE2 LYS A 238 -14.807 7.225 -5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 238 -15.384 8.660 -4.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 238 -15.285 8.838 -6.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 238 -14.446 10.063 -6.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 238 -13.592 8.777 -6.731 1.00 0.00 H new ATOM 907 N ILE A 239 -9.237 5.008 -3.382 1.00 0.00 N ATOM 908 CA ILE A 239 -8.505 3.731 -3.567 1.00 0.00 C ATOM 909 C ILE A 239 -8.039 3.212 -2.208 1.00 0.00 C ATOM 910 O ILE A 239 -8.473 2.174 -1.748 1.00 0.00 O ATOM 911 CB ILE A 239 -7.316 4.072 -4.463 1.00 0.00 C ATOM 912 CG1 ILE A 239 -7.828 4.557 -5.822 1.00 0.00 C ATOM 913 CG2 ILE A 239 -6.457 2.823 -4.660 1.00 0.00 C ATOM 914 CD1 ILE A 239 -8.806 3.529 -6.395 1.00 0.00 C ATOM 0 H ILE A 239 -9.000 5.746 -4.045 1.00 0.00 H new ATOM 0 HA ILE A 239 -9.122 2.952 -4.015 1.00 0.00 H new ATOM 0 HB ILE A 239 -6.719 4.856 -3.997 1.00 0.00 H new ATOM 0 HG12 ILE A 239 -8.321 5.523 -5.713 1.00 0.00 H new ATOM 0 HG13 ILE A 239 -6.993 4.701 -6.507 1.00 0.00 H new ATOM 0 HG21 ILE A 239 -5.607 3.063 -5.299 1.00 0.00 H new ATOM 0 HG22 ILE A 239 -6.096 2.473 -3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 239 -7.054 2.041 -5.129 1.00 0.00 H new ATOM 0 HD11 ILE A 239 -9.171 3.874 -7.363 1.00 0.00 H new ATOM 0 HD12 ILE A 239 -8.298 2.573 -6.519 1.00 0.00 H new ATOM 0 HD13 ILE A 239 -9.647 3.407 -5.713 1.00 0.00 H new ATOM 926 N MET A 240 -7.173 3.932 -1.550 1.00 0.00 N ATOM 927 CA MET A 240 -6.704 3.483 -0.209 1.00 0.00 C ATOM 928 C MET A 240 -7.908 3.047 0.634 1.00 0.00 C ATOM 929 O MET A 240 -7.823 2.133 1.428 1.00 0.00 O ATOM 930 CB MET A 240 -6.028 4.709 0.410 1.00 0.00 C ATOM 931 CG MET A 240 -5.252 4.289 1.661 1.00 0.00 C ATOM 932 SD MET A 240 -6.182 4.771 3.139 1.00 0.00 S ATOM 933 CE MET A 240 -4.948 5.904 3.826 1.00 0.00 C ATOM 0 H MET A 240 -6.771 4.809 -1.881 1.00 0.00 H new ATOM 0 HA MET A 240 -6.021 2.635 -0.265 1.00 0.00 H new ATOM 0 HB2 MET A 240 -5.353 5.168 -0.312 1.00 0.00 H new ATOM 0 HB3 MET A 240 -6.776 5.458 0.668 1.00 0.00 H new ATOM 0 HG2 MET A 240 -5.089 3.211 1.656 1.00 0.00 H new ATOM 0 HG3 MET A 240 -4.269 4.760 1.667 1.00 0.00 H new ATOM 0 HE1 MET A 240 -5.321 6.325 4.760 1.00 0.00 H new ATOM 0 HE2 MET A 240 -4.022 5.361 4.017 1.00 0.00 H new ATOM 0 HE3 MET A 240 -4.757 6.708 3.116 1.00 0.00 H new ATOM 943 N GLU A 241 -9.034 3.696 0.460 1.00 0.00 N ATOM 944 CA GLU A 241 -10.247 3.316 1.245 1.00 0.00 C ATOM 945 C GLU A 241 -10.925 2.085 0.626 1.00 0.00 C ATOM 946 O GLU A 241 -12.018 1.712 1.001 1.00 0.00 O ATOM 947 CB GLU A 241 -11.167 4.533 1.157 1.00 0.00 C ATOM 948 CG GLU A 241 -12.456 4.255 1.930 1.00 0.00 C ATOM 949 CD GLU A 241 -13.022 5.569 2.472 1.00 0.00 C ATOM 950 OE1 GLU A 241 -12.235 6.441 2.799 1.00 0.00 O ATOM 951 OE2 GLU A 241 -14.234 5.679 2.551 1.00 0.00 O ATOM 0 H GLU A 241 -9.164 4.471 -0.191 1.00 0.00 H new ATOM 0 HA GLU A 241 -10.005 3.056 2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 241 -10.667 5.411 1.567 1.00 0.00 H new ATOM 0 HB3 GLU A 241 -11.396 4.754 0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 241 -13.186 3.774 1.279 1.00 0.00 H new ATOM 0 HG3 GLU A 241 -12.258 3.566 2.751 1.00 0.00 H new ATOM 958 N LYS A 242 -10.276 1.449 -0.310 1.00 0.00 N ATOM 959 CA LYS A 242 -10.862 0.236 -0.952 1.00 0.00 C ATOM 960 C LYS A 242 -9.813 -0.875 -0.966 1.00 0.00 C ATOM 961 O LYS A 242 -9.552 -1.491 -1.979 1.00 0.00 O ATOM 962 CB LYS A 242 -11.220 0.665 -2.376 1.00 0.00 C ATOM 963 CG LYS A 242 -12.599 1.328 -2.378 1.00 0.00 C ATOM 964 CD LYS A 242 -13.685 0.251 -2.342 1.00 0.00 C ATOM 965 CE LYS A 242 -14.648 0.535 -1.186 1.00 0.00 C ATOM 966 NZ LYS A 242 -15.547 -0.653 -1.131 1.00 0.00 N ATOM 0 H LYS A 242 -9.357 1.719 -0.661 1.00 0.00 H new ATOM 0 HA LYS A 242 -11.737 -0.143 -0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -10.471 1.359 -2.757 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -11.220 -0.200 -3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -12.698 1.988 -1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -12.715 1.947 -3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -14.229 0.236 -3.287 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -13.232 -0.733 -2.219 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -14.110 0.666 -0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -15.214 1.450 -1.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -16.236 -0.532 -0.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -16.051 -0.749 -2.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -14.982 -1.508 -0.958 1.00 0.00 H new ATOM 980 N LYS A 243 -9.205 -1.103 0.165 1.00 0.00 N ATOM 981 CA LYS A 243 -8.139 -2.148 0.294 1.00 0.00 C ATOM 982 C LYS A 243 -8.290 -3.282 -0.731 1.00 0.00 C ATOM 983 O LYS A 243 -7.313 -3.775 -1.257 1.00 0.00 O ATOM 984 CB LYS A 243 -8.313 -2.697 1.709 1.00 0.00 C ATOM 985 CG LYS A 243 -6.974 -3.228 2.224 1.00 0.00 C ATOM 986 CD LYS A 243 -7.029 -4.755 2.306 1.00 0.00 C ATOM 987 CE LYS A 243 -7.826 -5.171 3.544 1.00 0.00 C ATOM 988 NZ LYS A 243 -6.964 -4.797 4.699 1.00 0.00 N ATOM 0 H LYS A 243 -9.405 -0.598 1.029 1.00 0.00 H new ATOM 0 HA LYS A 243 -7.153 -1.721 0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 243 -8.683 -1.914 2.370 1.00 0.00 H new ATOM 0 HB3 LYS A 243 -9.057 -3.494 1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 243 -6.168 -2.918 1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 243 -6.757 -2.808 3.206 1.00 0.00 H new ATOM 0 HD2 LYS A 243 -7.494 -5.162 1.408 1.00 0.00 H new ATOM 0 HD3 LYS A 243 -6.020 -5.164 2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 243 -8.787 -4.658 3.586 1.00 0.00 H new ATOM 0 HE3 LYS A 243 -8.036 -6.241 3.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 243 -7.129 -5.459 5.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 243 -5.965 -4.840 4.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 243 -7.195 -3.831 5.006 1.00 0.00 H new ATOM 1002 N TYR A 244 -9.489 -3.718 -1.013 1.00 0.00 N ATOM 1003 CA TYR A 244 -9.644 -4.836 -1.992 1.00 0.00 C ATOM 1004 C TYR A 244 -10.569 -4.396 -3.134 1.00 0.00 C ATOM 1005 O TYR A 244 -11.771 -4.309 -2.971 1.00 0.00 O ATOM 1006 CB TYR A 244 -10.282 -5.964 -1.179 1.00 0.00 C ATOM 1007 CG TYR A 244 -9.743 -7.306 -1.627 1.00 0.00 C ATOM 1008 CD1 TYR A 244 -8.380 -7.582 -1.471 1.00 0.00 C ATOM 1009 CD2 TYR A 244 -10.596 -8.289 -2.150 1.00 0.00 C ATOM 1010 CE1 TYR A 244 -7.868 -8.830 -1.844 1.00 0.00 C ATOM 1011 CE2 TYR A 244 -10.087 -9.533 -2.510 1.00 0.00 C ATOM 1012 CZ TYR A 244 -8.722 -9.806 -2.362 1.00 0.00 C ATOM 1013 OH TYR A 244 -8.222 -11.042 -2.720 1.00 0.00 O ATOM 0 H TYR A 244 -10.356 -3.356 -0.616 1.00 0.00 H new ATOM 0 HA TYR A 244 -8.702 -5.142 -2.447 1.00 0.00 H new ATOM 0 HB2 TYR A 244 -10.077 -5.818 -0.119 1.00 0.00 H new ATOM 0 HB3 TYR A 244 -11.365 -5.941 -1.300 1.00 0.00 H new ATOM 0 HD1 TYR A 244 -7.722 -6.830 -1.062 1.00 0.00 H new ATOM 0 HD2 TYR A 244 -11.648 -8.080 -2.273 1.00 0.00 H new ATOM 0 HE1 TYR A 244 -6.814 -9.038 -1.731 1.00 0.00 H new ATOM 0 HE2 TYR A 244 -10.747 -10.291 -2.905 1.00 0.00 H new ATOM 0 HH TYR A 244 -8.770 -11.746 -2.315 1.00 0.00 H new ATOM 1023 N HIS A 245 -10.019 -4.105 -4.284 1.00 0.00 N ATOM 1024 CA HIS A 245 -10.871 -3.658 -5.428 1.00 0.00 C ATOM 1025 C HIS A 245 -11.340 -4.858 -6.253 1.00 0.00 C ATOM 1026 O HIS A 245 -11.096 -5.998 -5.911 1.00 0.00 O ATOM 1027 CB HIS A 245 -9.963 -2.771 -6.283 1.00 0.00 C ATOM 1028 CG HIS A 245 -9.642 -1.497 -5.551 1.00 0.00 C ATOM 1029 ND1 HIS A 245 -8.886 -1.242 -4.434 1.00 0.00 N flip ATOM 1030 CD2 HIS A 245 -10.115 -0.265 -5.975 1.00 0.00 C flip ATOM 1031 CE1 HIS A 245 -8.885 0.122 -4.169 1.00 0.00 C flip ATOM 1032 NE2 HIS A 245 -9.639 0.666 -5.127 1.00 0.00 N flip ATOM 0 H HIS A 245 -9.020 -4.157 -4.481 1.00 0.00 H new ATOM 0 HA HIS A 245 -11.762 -3.134 -5.082 1.00 0.00 H new ATOM 0 HB2 HIS A 245 -9.042 -3.304 -6.522 1.00 0.00 H new ATOM 0 HB3 HIS A 245 -10.453 -2.542 -7.229 1.00 0.00 H new ATOM 0 HD2 HIS A 245 -10.750 -0.085 -6.830 1.00 0.00 H new ATOM 0 HE1 HIS A 245 -8.382 0.633 -3.361 1.00 0.00 H new ATOM 0 HE2 HIS A 245 -9.831 1.665 -5.207 1.00 0.00 H new ATOM 1040 N ASN A 246 -12.004 -4.601 -7.347 1.00 0.00 N ATOM 1041 CA ASN A 246 -12.486 -5.712 -8.215 1.00 0.00 C ATOM 1042 C ASN A 246 -12.160 -5.396 -9.678 1.00 0.00 C ATOM 1043 O ASN A 246 -12.608 -4.407 -10.223 1.00 0.00 O ATOM 1044 CB ASN A 246 -14.000 -5.762 -8.000 1.00 0.00 C ATOM 1045 CG ASN A 246 -14.298 -6.110 -6.541 1.00 0.00 C ATOM 1046 OD1 ASN A 246 -13.810 -5.461 -5.636 1.00 0.00 O ATOM 1047 ND2 ASN A 246 -15.086 -7.115 -6.272 1.00 0.00 N ATOM 0 H ASN A 246 -12.234 -3.664 -7.678 1.00 0.00 H new ATOM 0 HA ASN A 246 -12.016 -6.666 -7.974 1.00 0.00 H new ATOM 0 HB2 ASN A 246 -14.446 -4.800 -8.254 1.00 0.00 H new ATOM 0 HB3 ASN A 246 -14.447 -6.505 -8.661 1.00 0.00 H new ATOM 0 HD21 ASN A 246 -15.292 -7.356 -5.303 1.00 0.00 H new ATOM 0 HD22 ASN A 246 -15.495 -7.659 -7.031 1.00 0.00 H new ATOM 1054 N VAL A 247 -11.376 -6.220 -10.319 1.00 0.00 N ATOM 1055 CA VAL A 247 -11.023 -5.949 -11.742 1.00 0.00 C ATOM 1056 C VAL A 247 -10.883 -7.259 -12.520 1.00 0.00 C ATOM 1057 O VAL A 247 -10.217 -8.178 -12.093 1.00 0.00 O ATOM 1058 CB VAL A 247 -9.681 -5.218 -11.683 1.00 0.00 C ATOM 1059 CG1 VAL A 247 -9.097 -5.107 -13.091 1.00 0.00 C ATOM 1060 CG2 VAL A 247 -9.885 -3.815 -11.104 1.00 0.00 C ATOM 0 H VAL A 247 -10.966 -7.065 -9.921 1.00 0.00 H new ATOM 0 HA VAL A 247 -11.789 -5.363 -12.249 1.00 0.00 H new ATOM 0 HB VAL A 247 -8.994 -5.776 -11.047 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -8.141 -4.586 -13.048 1.00 0.00 H new ATOM 0 HG12 VAL A 247 -8.948 -6.105 -13.503 1.00 0.00 H new ATOM 0 HG13 VAL A 247 -9.785 -4.551 -13.727 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -8.928 -3.296 -11.063 1.00 0.00 H new ATOM 0 HG22 VAL A 247 -10.574 -3.256 -11.738 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -10.299 -3.893 -10.099 1.00 0.00 H new ATOM 1070 N GLY A 248 -11.501 -7.349 -13.665 1.00 0.00 N ATOM 1071 CA GLY A 248 -11.395 -8.597 -14.471 1.00 0.00 C ATOM 1072 C GLY A 248 -11.605 -9.819 -13.574 1.00 0.00 C ATOM 1073 O GLY A 248 -10.713 -10.621 -13.380 1.00 0.00 O ATOM 0 H GLY A 248 -12.074 -6.613 -14.077 1.00 0.00 H new ATOM 0 HA2 GLY A 248 -12.138 -8.589 -15.268 1.00 0.00 H new ATOM 0 HA3 GLY A 248 -10.416 -8.650 -14.948 1.00 0.00 H new ATOM 1077 N LEU A 249 -12.782 -9.972 -13.032 1.00 0.00 N ATOM 1078 CA LEU A 249 -13.058 -11.147 -12.155 1.00 0.00 C ATOM 1079 C LEU A 249 -11.948 -11.326 -11.114 1.00 0.00 C ATOM 1080 O LEU A 249 -11.692 -12.420 -10.652 1.00 0.00 O ATOM 1081 CB LEU A 249 -13.099 -12.347 -13.103 1.00 0.00 C ATOM 1082 CG LEU A 249 -14.427 -12.350 -13.863 1.00 0.00 C ATOM 1083 CD1 LEU A 249 -14.349 -11.366 -15.033 1.00 0.00 C ATOM 1084 CD2 LEU A 249 -14.703 -13.756 -14.399 1.00 0.00 C ATOM 0 H LEU A 249 -13.567 -9.333 -13.159 1.00 0.00 H new ATOM 0 HA LEU A 249 -13.988 -11.027 -11.599 1.00 0.00 H new ATOM 0 HB2 LEU A 249 -12.266 -12.299 -13.805 1.00 0.00 H new ATOM 0 HB3 LEU A 249 -12.988 -13.273 -12.540 1.00 0.00 H new ATOM 0 HG LEU A 249 -15.231 -12.051 -13.190 1.00 0.00 H new ATOM 0 HD11 LEU A 249 -15.295 -11.368 -15.574 1.00 0.00 H new ATOM 0 HD12 LEU A 249 -14.151 -10.364 -14.653 1.00 0.00 H new ATOM 0 HD13 LEU A 249 -13.545 -11.664 -15.706 1.00 0.00 H new ATOM 0 HD21 LEU A 249 -15.649 -13.760 -14.941 1.00 0.00 H new ATOM 0 HD22 LEU A 249 -13.898 -14.053 -15.072 1.00 0.00 H new ATOM 0 HD23 LEU A 249 -14.759 -14.458 -13.567 1.00 0.00 H new ATOM 1096 N SER A 250 -11.293 -10.263 -10.731 1.00 0.00 N ATOM 1097 CA SER A 250 -10.211 -10.385 -9.710 1.00 0.00 C ATOM 1098 C SER A 250 -10.333 -9.252 -8.689 1.00 0.00 C ATOM 1099 O SER A 250 -11.112 -8.334 -8.859 1.00 0.00 O ATOM 1100 CB SER A 250 -8.899 -10.271 -10.488 1.00 0.00 C ATOM 1101 OG SER A 250 -8.805 -11.348 -11.413 1.00 0.00 O ATOM 0 H SER A 250 -11.459 -9.319 -11.079 1.00 0.00 H new ATOM 0 HA SER A 250 -10.267 -11.324 -9.160 1.00 0.00 H new ATOM 0 HB2 SER A 250 -8.858 -9.318 -11.016 1.00 0.00 H new ATOM 0 HB3 SER A 250 -8.053 -10.292 -9.801 1.00 0.00 H new ATOM 0 HG SER A 250 -9.411 -11.186 -12.166 1.00 0.00 H new ATOM 1107 N LYS A 251 -9.570 -9.303 -7.633 1.00 0.00 N ATOM 1108 CA LYS A 251 -9.653 -8.220 -6.611 1.00 0.00 C ATOM 1109 C LYS A 251 -8.311 -8.023 -5.898 1.00 0.00 C ATOM 1110 O LYS A 251 -8.239 -8.026 -4.684 1.00 0.00 O ATOM 1111 CB LYS A 251 -10.745 -8.639 -5.613 1.00 0.00 C ATOM 1112 CG LYS A 251 -10.866 -10.166 -5.526 1.00 0.00 C ATOM 1113 CD LYS A 251 -9.592 -10.764 -4.927 1.00 0.00 C ATOM 1114 CE LYS A 251 -8.943 -11.724 -5.928 1.00 0.00 C ATOM 1115 NZ LYS A 251 -9.044 -13.065 -5.287 1.00 0.00 N ATOM 0 H LYS A 251 -8.896 -10.042 -7.433 1.00 0.00 H new ATOM 0 HA LYS A 251 -9.895 -7.267 -7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 251 -10.515 -8.234 -4.628 1.00 0.00 H new ATOM 0 HB3 LYS A 251 -11.701 -8.213 -5.917 1.00 0.00 H new ATOM 0 HG2 LYS A 251 -11.726 -10.436 -4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 251 -11.040 -10.581 -6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 251 -8.893 -9.968 -4.669 1.00 0.00 H new ATOM 0 HD3 LYS A 251 -9.828 -11.293 -4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 251 -9.460 -11.704 -6.888 1.00 0.00 H new ATOM 0 HE3 LYS A 251 -7.904 -11.454 -6.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 251 -8.620 -13.781 -5.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 251 -8.538 -13.055 -4.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 251 -10.044 -13.297 -5.123 1.00 0.00 H new ATOM 1129 N CYS A 252 -7.255 -7.818 -6.645 1.00 0.00 N ATOM 1130 CA CYS A 252 -5.917 -7.578 -6.023 1.00 0.00 C ATOM 1131 C CYS A 252 -6.084 -6.699 -4.780 1.00 0.00 C ATOM 1132 O CYS A 252 -7.081 -6.022 -4.630 1.00 0.00 O ATOM 1133 CB CYS A 252 -5.141 -6.829 -7.102 1.00 0.00 C ATOM 1134 SG CYS A 252 -6.055 -5.338 -7.571 1.00 0.00 S ATOM 0 H CYS A 252 -7.263 -7.807 -7.665 1.00 0.00 H new ATOM 0 HA CYS A 252 -5.416 -8.493 -5.708 1.00 0.00 H new ATOM 0 HB2 CYS A 252 -4.150 -6.561 -6.734 1.00 0.00 H new ATOM 0 HB3 CYS A 252 -4.996 -7.469 -7.972 1.00 0.00 H new ATOM 0 HG CYS A 252 -5.650 -4.930 -8.737 1.00 0.00 H new ATOM 1140 N GLU A 253 -5.122 -6.665 -3.897 1.00 0.00 N ATOM 1141 CA GLU A 253 -5.291 -5.775 -2.707 1.00 0.00 C ATOM 1142 C GLU A 253 -4.802 -4.396 -3.082 1.00 0.00 C ATOM 1143 O GLU A 253 -4.220 -4.203 -4.130 1.00 0.00 O ATOM 1144 CB GLU A 253 -4.470 -6.337 -1.540 1.00 0.00 C ATOM 1145 CG GLU A 253 -3.259 -7.117 -2.046 1.00 0.00 C ATOM 1146 CD GLU A 253 -2.237 -7.271 -0.918 1.00 0.00 C ATOM 1147 OE1 GLU A 253 -1.998 -6.297 -0.224 1.00 0.00 O ATOM 1148 OE2 GLU A 253 -1.710 -8.361 -0.769 1.00 0.00 O ATOM 0 H GLU A 253 -4.252 -7.196 -3.941 1.00 0.00 H new ATOM 0 HA GLU A 253 -6.336 -5.723 -2.403 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -4.139 -5.521 -0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -5.097 -6.988 -0.930 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -3.570 -8.098 -2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -2.807 -6.598 -2.891 1.00 0.00 H new ATOM 1155 N ILE A 254 -5.067 -3.423 -2.273 1.00 0.00 N ATOM 1156 CA ILE A 254 -4.644 -2.054 -2.668 1.00 0.00 C ATOM 1157 C ILE A 254 -4.325 -1.146 -1.479 1.00 0.00 C ATOM 1158 O ILE A 254 -5.199 -0.675 -0.781 1.00 0.00 O ATOM 1159 CB ILE A 254 -5.845 -1.508 -3.443 1.00 0.00 C ATOM 1160 CG1 ILE A 254 -5.885 -2.150 -4.832 1.00 0.00 C ATOM 1161 CG2 ILE A 254 -5.731 0.011 -3.589 1.00 0.00 C ATOM 1162 CD1 ILE A 254 -6.774 -3.394 -4.792 1.00 0.00 C ATOM 0 H ILE A 254 -5.546 -3.505 -1.376 1.00 0.00 H new ATOM 0 HA ILE A 254 -3.719 -2.086 -3.244 1.00 0.00 H new ATOM 0 HB ILE A 254 -6.759 -1.745 -2.899 1.00 0.00 H new ATOM 0 HG12 ILE A 254 -6.269 -1.438 -5.563 1.00 0.00 H new ATOM 0 HG13 ILE A 254 -4.878 -2.420 -5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 254 -6.591 0.389 -4.142 1.00 0.00 H new ATOM 0 HG22 ILE A 254 -5.705 0.471 -2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 254 -4.816 0.257 -4.128 1.00 0.00 H new ATOM 0 HD11 ILE A 254 -6.803 -3.852 -5.781 1.00 0.00 H new ATOM 0 HD12 ILE A 254 -6.370 -4.107 -4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 254 -7.783 -3.111 -4.493 1.00 0.00 H new ATOM 1174 N LYS A 255 -3.072 -0.843 -1.305 1.00 0.00 N ATOM 1175 CA LYS A 255 -2.664 0.100 -0.236 1.00 0.00 C ATOM 1176 C LYS A 255 -2.459 1.460 -0.905 1.00 0.00 C ATOM 1177 O LYS A 255 -3.015 1.725 -1.954 1.00 0.00 O ATOM 1178 CB LYS A 255 -1.338 -0.436 0.300 1.00 0.00 C ATOM 1179 CG LYS A 255 -1.421 -0.600 1.817 1.00 0.00 C ATOM 1180 CD LYS A 255 -0.944 -2.000 2.212 1.00 0.00 C ATOM 1181 CE LYS A 255 -1.130 -2.196 3.716 1.00 0.00 C ATOM 1182 NZ LYS A 255 -2.604 -2.265 3.914 1.00 0.00 N ATOM 0 H LYS A 255 -2.305 -1.214 -1.866 1.00 0.00 H new ATOM 0 HA LYS A 255 -3.390 0.198 0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -1.107 -1.394 -0.166 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -0.528 0.247 0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -0.808 0.156 2.308 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -2.446 -0.446 2.153 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -1.507 -2.756 1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 255 0.105 -2.127 1.945 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -0.642 -3.109 4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -0.694 -1.371 4.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -2.817 -2.883 4.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -2.974 -1.311 4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -3.052 -2.649 3.058 1.00 0.00 H new ATOM 1196 N VAL A 256 -1.654 2.319 -0.354 1.00 0.00 N ATOM 1197 CA VAL A 256 -1.441 3.625 -1.033 1.00 0.00 C ATOM 1198 C VAL A 256 0.045 3.837 -1.330 1.00 0.00 C ATOM 1199 O VAL A 256 0.891 3.103 -0.859 1.00 0.00 O ATOM 1200 CB VAL A 256 -1.972 4.681 -0.079 1.00 0.00 C ATOM 1201 CG1 VAL A 256 -1.280 4.554 1.279 1.00 0.00 C ATOM 1202 CG2 VAL A 256 -1.716 6.071 -0.663 1.00 0.00 C ATOM 0 H VAL A 256 -1.143 2.180 0.518 1.00 0.00 H new ATOM 0 HA VAL A 256 -1.956 3.673 -1.992 1.00 0.00 H new ATOM 0 HB VAL A 256 -3.044 4.537 0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 256 -1.667 5.315 1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 256 -1.474 3.565 1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 256 -0.206 4.691 1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 256 -2.097 6.829 0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 256 -0.645 6.215 -0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 256 -2.224 6.161 -1.623 1.00 0.00 H new ATOM 1212 N ALA A 257 0.367 4.820 -2.123 1.00 0.00 N ATOM 1213 CA ALA A 257 1.796 5.058 -2.465 1.00 0.00 C ATOM 1214 C ALA A 257 2.049 6.545 -2.722 1.00 0.00 C ATOM 1215 O ALA A 257 1.155 7.285 -3.085 1.00 0.00 O ATOM 1216 CB ALA A 257 2.016 4.254 -3.742 1.00 0.00 C ATOM 0 H ALA A 257 -0.296 5.468 -2.548 1.00 0.00 H new ATOM 0 HA ALA A 257 2.470 4.763 -1.661 1.00 0.00 H new ATOM 0 HB1 ALA A 257 3.049 4.370 -4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 257 1.813 3.201 -3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 257 1.344 4.616 -4.520 1.00 0.00 H new