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 201 TYR OH : rot 44:sc= 0.409 USER MOD Set 1.2: A 246 ASN : amide:sc= -0.71 K(o=-0.3,f=-3.9!) USER MOD Set 2.1: A 183 LYS NZ :NH3+ -137:sc= -0.127 (180deg=-1.04) USER MOD Set 2.2: A 229 THR OG1 : rot 180:sc= -0.492 USER MOD Single : A 193 THR OG1 : rot 41:sc= 1.05 USER MOD Single : A 197 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 SER OG : rot 9:sc= 0.576 USER MOD Single : A 226 CYS SG : rot 180:sc= -2.22! USER MOD Single : A 231 LYS NZ :NH3+ 155:sc= -0.0246 (180deg=-1.07!) USER MOD Single : A 237 LYS NZ :NH3+ 154:sc= -0.0454 (180deg=-1.24!) USER MOD Single : A 238 LYS NZ :NH3+ 148:sc= -0.154 (180deg=-0.706) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 242 LYS NZ :NH3+ -173:sc= 0.285 (180deg=0.265) USER MOD Single : A 243 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 TYR OH : rot 130:sc= -0.652 USER MOD Single : A 245 HIS :FLIP no HD1:sc= -14.7! C(o=-19!,f=-15!) USER MOD Single : A 250 SER OG : rot 180:sc= 0 USER MOD Single : A 251 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 252 CYS SG : rot 9:sc= -3.1! USER MOD Single : A 255 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 183 -0.619 8.464 -4.969 1.00 0.00 N ATOM 2 CA LYS A 183 -0.421 7.221 -5.764 1.00 0.00 C ATOM 3 C LYS A 183 -0.835 6.037 -4.901 1.00 0.00 C ATOM 4 O LYS A 183 -0.979 6.167 -3.704 1.00 0.00 O ATOM 5 CB LYS A 183 1.073 7.226 -6.083 1.00 0.00 C ATOM 6 CG LYS A 183 1.637 5.795 -6.241 1.00 0.00 C ATOM 7 CD LYS A 183 1.973 5.564 -7.707 1.00 0.00 C ATOM 8 CE LYS A 183 3.490 5.501 -7.890 1.00 0.00 C ATOM 9 NZ LYS A 183 3.965 6.893 -7.651 1.00 0.00 N ATOM 0 HA LYS A 183 -1.009 7.159 -6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 183 1.246 7.787 -7.001 1.00 0.00 H new ATOM 0 HB3 LYS A 183 1.612 7.742 -5.288 1.00 0.00 H new ATOM 0 HG2 LYS A 183 2.527 5.669 -5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 183 0.907 5.061 -5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 183 1.518 4.636 -8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 183 1.558 6.368 -8.315 1.00 0.00 H new ATOM 0 HE2 LYS A 183 3.944 4.803 -7.187 1.00 0.00 H new ATOM 0 HE3 LYS A 183 3.753 5.161 -8.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 4.678 7.144 -8.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 3.162 7.550 -7.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 4.387 6.958 -6.703 1.00 0.00 H new ATOM 23 N ILE A 184 -1.033 4.889 -5.481 1.00 0.00 N ATOM 24 CA ILE A 184 -1.433 3.726 -4.662 1.00 0.00 C ATOM 25 C ILE A 184 -0.691 2.464 -5.125 1.00 0.00 C ATOM 26 O ILE A 184 0.020 2.478 -6.112 1.00 0.00 O ATOM 27 CB ILE A 184 -2.936 3.573 -4.896 1.00 0.00 C ATOM 28 CG1 ILE A 184 -3.659 4.778 -4.310 1.00 0.00 C ATOM 29 CG2 ILE A 184 -3.451 2.302 -4.221 1.00 0.00 C ATOM 30 CD1 ILE A 184 -4.525 5.432 -5.387 1.00 0.00 C ATOM 0 H ILE A 184 -0.935 4.711 -6.480 1.00 0.00 H new ATOM 0 HA ILE A 184 -1.194 3.867 -3.608 1.00 0.00 H new ATOM 0 HB ILE A 184 -3.123 3.507 -5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.279 4.469 -3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -2.936 5.497 -3.925 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -4.523 2.206 -4.396 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -2.936 1.435 -4.636 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -3.262 2.357 -3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -5.041 6.294 -4.965 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -3.894 5.756 -6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -5.258 4.712 -5.751 1.00 0.00 H new ATOM 42 N PHE A 185 -0.860 1.373 -4.429 1.00 0.00 N ATOM 43 CA PHE A 185 -0.177 0.110 -4.832 1.00 0.00 C ATOM 44 C PHE A 185 -1.185 -1.041 -4.884 1.00 0.00 C ATOM 45 O PHE A 185 -2.047 -1.167 -4.038 1.00 0.00 O ATOM 46 CB PHE A 185 0.918 -0.121 -3.769 1.00 0.00 C ATOM 47 CG PHE A 185 0.944 -1.568 -3.295 1.00 0.00 C ATOM 48 CD1 PHE A 185 0.984 -2.614 -4.229 1.00 0.00 C ATOM 49 CD2 PHE A 185 0.929 -1.863 -1.922 1.00 0.00 C ATOM 50 CE1 PHE A 185 1.004 -3.944 -3.791 1.00 0.00 C ATOM 51 CE2 PHE A 185 0.950 -3.194 -1.490 1.00 0.00 C ATOM 52 CZ PHE A 185 0.987 -4.233 -2.424 1.00 0.00 C ATOM 0 H PHE A 185 -1.444 1.301 -3.596 1.00 0.00 H new ATOM 0 HA PHE A 185 0.261 0.169 -5.828 1.00 0.00 H new ATOM 0 HB2 PHE A 185 1.890 0.144 -4.184 1.00 0.00 H new ATOM 0 HB3 PHE A 185 0.745 0.538 -2.918 1.00 0.00 H new ATOM 0 HD1 PHE A 185 0.999 -2.393 -5.286 1.00 0.00 H new ATOM 0 HD2 PHE A 185 0.901 -1.062 -1.199 1.00 0.00 H new ATOM 0 HE1 PHE A 185 1.033 -4.748 -4.511 1.00 0.00 H new ATOM 0 HE2 PHE A 185 0.938 -3.418 -0.434 1.00 0.00 H new ATOM 0 HZ PHE A 185 1.002 -5.260 -2.089 1.00 0.00 H new ATOM 62 N VAL A 186 -1.067 -1.887 -5.869 1.00 0.00 N ATOM 63 CA VAL A 186 -1.999 -3.042 -5.979 1.00 0.00 C ATOM 64 C VAL A 186 -1.231 -4.347 -5.795 1.00 0.00 C ATOM 65 O VAL A 186 -0.206 -4.569 -6.415 1.00 0.00 O ATOM 66 CB VAL A 186 -2.569 -2.979 -7.393 1.00 0.00 C ATOM 67 CG1 VAL A 186 -3.372 -4.256 -7.668 1.00 0.00 C ATOM 68 CG2 VAL A 186 -3.486 -1.760 -7.526 1.00 0.00 C ATOM 0 H VAL A 186 -0.363 -1.827 -6.605 1.00 0.00 H new ATOM 0 HA VAL A 186 -2.782 -3.003 -5.221 1.00 0.00 H new ATOM 0 HB VAL A 186 -1.754 -2.894 -8.112 1.00 0.00 H new ATOM 0 HG11 VAL A 186 -3.782 -4.218 -8.677 1.00 0.00 H new ATOM 0 HG12 VAL A 186 -2.719 -5.124 -7.575 1.00 0.00 H new ATOM 0 HG13 VAL A 186 -4.186 -4.336 -6.948 1.00 0.00 H new ATOM 0 HG21 VAL A 186 -3.891 -1.718 -8.537 1.00 0.00 H new ATOM 0 HG22 VAL A 186 -4.304 -1.840 -6.810 1.00 0.00 H new ATOM 0 HG23 VAL A 186 -2.916 -0.853 -7.326 1.00 0.00 H new ATOM 78 N GLY A 187 -1.723 -5.218 -4.961 1.00 0.00 N ATOM 79 CA GLY A 187 -1.024 -6.516 -4.754 1.00 0.00 C ATOM 80 C GLY A 187 -1.803 -7.609 -5.473 1.00 0.00 C ATOM 81 O GLY A 187 -2.012 -8.694 -4.967 1.00 0.00 O ATOM 0 H GLY A 187 -2.575 -5.089 -4.416 1.00 0.00 H new ATOM 0 HA2 GLY A 187 -0.005 -6.462 -5.138 1.00 0.00 H new ATOM 0 HA3 GLY A 187 -0.952 -6.741 -3.690 1.00 0.00 H new ATOM 148 N THR A 193 -0.469 -6.372 -16.360 1.00 0.00 N ATOM 149 CA THR A 193 -0.866 -5.049 -15.781 1.00 0.00 C ATOM 150 C THR A 193 -2.023 -4.448 -16.598 1.00 0.00 C ATOM 151 O THR A 193 -1.805 -3.889 -17.655 1.00 0.00 O ATOM 152 CB THR A 193 0.394 -4.184 -15.894 1.00 0.00 C ATOM 153 OG1 THR A 193 0.792 -4.104 -17.256 1.00 0.00 O ATOM 154 CG2 THR A 193 1.519 -4.814 -15.068 1.00 0.00 C ATOM 0 HA THR A 193 -1.214 -5.124 -14.751 1.00 0.00 H new ATOM 0 HB THR A 193 0.184 -3.183 -15.518 1.00 0.00 H new ATOM 0 HG1 THR A 193 -0.001 -4.004 -17.823 1.00 0.00 H new ATOM 0 HG21 THR A 193 2.416 -4.200 -15.147 1.00 0.00 H new ATOM 0 HG22 THR A 193 1.213 -4.876 -14.024 1.00 0.00 H new ATOM 0 HG23 THR A 193 1.730 -5.815 -15.444 1.00 0.00 H new ATOM 162 N PRO A 194 -3.227 -4.612 -16.095 1.00 0.00 N ATOM 163 CA PRO A 194 -4.439 -4.110 -16.801 1.00 0.00 C ATOM 164 C PRO A 194 -4.528 -2.574 -16.818 1.00 0.00 C ATOM 165 O PRO A 194 -5.570 -2.024 -16.567 1.00 0.00 O ATOM 166 CB PRO A 194 -5.577 -4.696 -15.954 1.00 0.00 C ATOM 167 CG PRO A 194 -4.968 -5.500 -14.789 1.00 0.00 C ATOM 168 CD PRO A 194 -3.447 -5.309 -14.805 1.00 0.00 C ATOM 0 HA PRO A 194 -4.454 -4.399 -17.852 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -6.211 -3.897 -15.570 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -6.210 -5.339 -16.566 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -5.382 -5.162 -13.839 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -5.218 -6.556 -14.887 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -3.103 -4.715 -13.958 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -2.918 -6.261 -14.762 1.00 0.00 H new ATOM 176 N GLU A 195 -3.458 -1.887 -17.112 1.00 0.00 N ATOM 177 CA GLU A 195 -3.492 -0.384 -17.139 1.00 0.00 C ATOM 178 C GLU A 195 -4.805 0.135 -17.677 1.00 0.00 C ATOM 179 O GLU A 195 -5.573 0.744 -16.975 1.00 0.00 O ATOM 180 CB GLU A 195 -2.420 0.105 -18.127 1.00 0.00 C ATOM 181 CG GLU A 195 -1.830 -1.052 -18.945 1.00 0.00 C ATOM 182 CD GLU A 195 -1.115 -0.496 -20.178 1.00 0.00 C ATOM 183 OE1 GLU A 195 -1.773 -0.315 -21.189 1.00 0.00 O ATOM 184 OE2 GLU A 195 0.079 -0.262 -20.090 1.00 0.00 O ATOM 0 H GLU A 195 -2.552 -2.299 -17.337 1.00 0.00 H new ATOM 0 HA GLU A 195 -3.337 -0.032 -16.119 1.00 0.00 H new ATOM 0 HB2 GLU A 195 -2.856 0.842 -18.801 1.00 0.00 H new ATOM 0 HB3 GLU A 195 -1.622 0.607 -17.579 1.00 0.00 H new ATOM 0 HG2 GLU A 195 -1.131 -1.624 -18.334 1.00 0.00 H new ATOM 0 HG3 GLU A 195 -2.622 -1.737 -19.249 1.00 0.00 H new ATOM 191 N GLU A 196 -5.049 -0.048 -18.935 1.00 0.00 N ATOM 192 CA GLU A 196 -6.291 0.505 -19.499 1.00 0.00 C ATOM 193 C GLU A 196 -7.458 0.136 -18.589 1.00 0.00 C ATOM 194 O GLU A 196 -8.334 0.934 -18.319 1.00 0.00 O ATOM 195 CB GLU A 196 -6.443 -0.125 -20.884 1.00 0.00 C ATOM 196 CG GLU A 196 -6.783 0.963 -21.904 1.00 0.00 C ATOM 197 CD GLU A 196 -6.723 0.377 -23.315 1.00 0.00 C ATOM 198 OE1 GLU A 196 -5.976 -0.566 -23.513 1.00 0.00 O ATOM 199 OE2 GLU A 196 -7.426 0.884 -24.176 1.00 0.00 O ATOM 0 H GLU A 196 -4.448 -0.551 -19.588 1.00 0.00 H new ATOM 0 HA GLU A 196 -6.269 1.592 -19.577 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -5.520 -0.630 -21.169 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -7.228 -0.881 -20.867 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -7.778 1.363 -21.707 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -6.082 1.793 -21.813 1.00 0.00 H new ATOM 206 N LYS A 197 -7.445 -1.062 -18.085 1.00 0.00 N ATOM 207 CA LYS A 197 -8.526 -1.486 -17.152 1.00 0.00 C ATOM 208 C LYS A 197 -8.263 -0.830 -15.798 1.00 0.00 C ATOM 209 O LYS A 197 -9.162 -0.568 -15.024 1.00 0.00 O ATOM 210 CB LYS A 197 -8.406 -3.007 -17.057 1.00 0.00 C ATOM 211 CG LYS A 197 -8.916 -3.642 -18.352 1.00 0.00 C ATOM 212 CD LYS A 197 -10.444 -3.577 -18.384 1.00 0.00 C ATOM 213 CE LYS A 197 -11.020 -4.740 -17.572 1.00 0.00 C ATOM 214 NZ LYS A 197 -12.495 -4.651 -17.765 1.00 0.00 N ATOM 0 H LYS A 197 -6.734 -1.768 -18.277 1.00 0.00 H new ATOM 0 HA LYS A 197 -9.524 -1.199 -17.482 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -7.368 -3.290 -16.885 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -8.982 -3.375 -16.208 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -8.501 -3.120 -19.214 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -8.584 -4.678 -18.417 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -10.787 -2.627 -17.973 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -10.800 -3.626 -19.413 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -10.633 -5.697 -17.923 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -10.754 -4.656 -16.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -12.961 -5.417 -17.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -12.836 -3.733 -17.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -12.719 -4.741 -18.777 1.00 0.00 H new ATOM 228 N ILE A 198 -7.016 -0.549 -15.535 1.00 0.00 N ATOM 229 CA ILE A 198 -6.627 0.112 -14.268 1.00 0.00 C ATOM 230 C ILE A 198 -7.192 1.534 -14.273 1.00 0.00 C ATOM 231 O ILE A 198 -7.911 1.934 -13.384 1.00 0.00 O ATOM 232 CB ILE A 198 -5.075 0.085 -14.280 1.00 0.00 C ATOM 233 CG1 ILE A 198 -4.584 -0.474 -12.950 1.00 0.00 C ATOM 234 CG2 ILE A 198 -4.489 1.495 -14.449 1.00 0.00 C ATOM 235 CD1 ILE A 198 -5.042 -1.927 -12.790 1.00 0.00 C ATOM 0 H ILE A 198 -6.238 -0.756 -16.162 1.00 0.00 H new ATOM 0 HA ILE A 198 -7.009 -0.371 -13.369 1.00 0.00 H new ATOM 0 HB ILE A 198 -4.753 -0.533 -15.118 1.00 0.00 H new ATOM 0 HG12 ILE A 198 -3.496 -0.420 -12.903 1.00 0.00 H new ATOM 0 HG13 ILE A 198 -4.969 0.130 -12.128 1.00 0.00 H new ATOM 0 HG21 ILE A 198 -3.400 1.439 -14.453 1.00 0.00 H new ATOM 0 HG22 ILE A 198 -4.834 1.922 -15.391 1.00 0.00 H new ATOM 0 HG23 ILE A 198 -4.816 2.127 -13.623 1.00 0.00 H new ATOM 0 HD11 ILE A 198 -4.686 -2.318 -11.837 1.00 0.00 H new ATOM 0 HD12 ILE A 198 -6.131 -1.970 -12.816 1.00 0.00 H new ATOM 0 HD13 ILE A 198 -4.635 -2.528 -13.603 1.00 0.00 H new ATOM 247 N ARG A 199 -6.887 2.282 -15.292 1.00 0.00 N ATOM 248 CA ARG A 199 -7.417 3.665 -15.391 1.00 0.00 C ATOM 249 C ARG A 199 -8.940 3.611 -15.271 1.00 0.00 C ATOM 250 O ARG A 199 -9.559 4.454 -14.654 1.00 0.00 O ATOM 251 CB ARG A 199 -6.985 4.148 -16.784 1.00 0.00 C ATOM 252 CG ARG A 199 -7.929 5.253 -17.268 1.00 0.00 C ATOM 253 CD ARG A 199 -7.176 6.202 -18.201 1.00 0.00 C ATOM 254 NE ARG A 199 -7.342 5.618 -19.560 1.00 0.00 N ATOM 255 CZ ARG A 199 -8.176 6.163 -20.406 1.00 0.00 C ATOM 256 NH1 ARG A 199 -9.424 5.781 -20.428 1.00 0.00 N ATOM 257 NH2 ARG A 199 -7.759 7.086 -21.229 1.00 0.00 N ATOM 0 H ARG A 199 -6.289 1.992 -16.066 1.00 0.00 H new ATOM 0 HA ARG A 199 -7.051 4.333 -14.612 1.00 0.00 H new ATOM 0 HB2 ARG A 199 -5.962 4.522 -16.748 1.00 0.00 H new ATOM 0 HB3 ARG A 199 -6.995 3.315 -17.487 1.00 0.00 H new ATOM 0 HG2 ARG A 199 -8.780 4.815 -17.789 1.00 0.00 H new ATOM 0 HG3 ARG A 199 -8.326 5.804 -16.416 1.00 0.00 H new ATOM 0 HD2 ARG A 199 -7.586 7.211 -18.152 1.00 0.00 H new ATOM 0 HD3 ARG A 199 -6.123 6.272 -17.927 1.00 0.00 H new ATOM 0 HE ARG A 199 -6.806 4.794 -19.831 1.00 0.00 H new ATOM 0 HH11 ARG A 199 -9.747 5.058 -19.785 1.00 0.00 H new ATOM 0 HH12 ARG A 199 -10.076 6.206 -21.088 1.00 0.00 H new ATOM 0 HH21 ARG A 199 -6.783 7.382 -21.212 1.00 0.00 H new ATOM 0 HH22 ARG A 199 -8.409 7.512 -21.890 1.00 0.00 H new ATOM 271 N GLU A 200 -9.544 2.611 -15.851 1.00 0.00 N ATOM 272 CA GLU A 200 -11.026 2.480 -15.766 1.00 0.00 C ATOM 273 C GLU A 200 -11.457 2.378 -14.324 1.00 0.00 C ATOM 274 O GLU A 200 -12.450 2.956 -13.929 1.00 0.00 O ATOM 275 CB GLU A 200 -11.366 1.201 -16.531 1.00 0.00 C ATOM 276 CG GLU A 200 -11.246 1.458 -18.033 1.00 0.00 C ATOM 277 CD GLU A 200 -12.487 2.205 -18.525 1.00 0.00 C ATOM 278 OE1 GLU A 200 -13.383 2.417 -17.724 1.00 0.00 O ATOM 279 OE2 GLU A 200 -12.521 2.552 -19.694 1.00 0.00 O ATOM 0 H GLU A 200 -9.074 1.877 -16.381 1.00 0.00 H new ATOM 0 HA GLU A 200 -11.540 3.344 -16.187 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -10.693 0.397 -16.234 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -12.377 0.876 -16.286 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -10.350 2.043 -18.242 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -11.142 0.513 -18.567 1.00 0.00 H new ATOM 286 N TYR A 201 -10.743 1.664 -13.522 1.00 0.00 N ATOM 287 CA TYR A 201 -11.178 1.581 -12.123 1.00 0.00 C ATOM 288 C TYR A 201 -10.511 2.689 -11.321 1.00 0.00 C ATOM 289 O TYR A 201 -11.137 3.653 -10.933 1.00 0.00 O ATOM 290 CB TYR A 201 -10.737 0.212 -11.616 1.00 0.00 C ATOM 291 CG TYR A 201 -11.727 -0.298 -10.599 1.00 0.00 C ATOM 292 CD1 TYR A 201 -13.081 -0.413 -10.937 1.00 0.00 C ATOM 293 CD2 TYR A 201 -11.291 -0.657 -9.319 1.00 0.00 C ATOM 294 CE1 TYR A 201 -13.999 -0.888 -9.992 1.00 0.00 C ATOM 295 CE2 TYR A 201 -12.209 -1.132 -8.376 1.00 0.00 C ATOM 296 CZ TYR A 201 -13.563 -1.248 -8.712 1.00 0.00 C ATOM 297 OH TYR A 201 -14.469 -1.717 -7.781 1.00 0.00 O ATOM 0 H TYR A 201 -9.898 1.147 -13.767 1.00 0.00 H new ATOM 0 HA TYR A 201 -12.257 1.700 -12.024 1.00 0.00 H new ATOM 0 HB2 TYR A 201 -10.663 -0.488 -12.448 1.00 0.00 H new ATOM 0 HB3 TYR A 201 -9.745 0.281 -11.169 1.00 0.00 H new ATOM 0 HD1 TYR A 201 -13.417 -0.136 -11.925 1.00 0.00 H new ATOM 0 HD2 TYR A 201 -10.247 -0.568 -9.059 1.00 0.00 H new ATOM 0 HE1 TYR A 201 -15.044 -0.976 -10.251 1.00 0.00 H new ATOM 0 HE2 TYR A 201 -11.873 -1.409 -7.388 1.00 0.00 H new ATOM 0 HH TYR A 201 -15.069 -2.364 -8.206 1.00 0.00 H new ATOM 307 N PHE A 202 -9.234 2.565 -11.082 1.00 0.00 N ATOM 308 CA PHE A 202 -8.529 3.617 -10.317 1.00 0.00 C ATOM 309 C PHE A 202 -8.768 4.964 -10.990 1.00 0.00 C ATOM 310 O PHE A 202 -9.250 5.902 -10.380 1.00 0.00 O ATOM 311 CB PHE A 202 -7.044 3.235 -10.365 1.00 0.00 C ATOM 312 CG PHE A 202 -6.851 1.847 -9.813 1.00 0.00 C ATOM 313 CD1 PHE A 202 -6.872 1.626 -8.431 1.00 0.00 C ATOM 314 CD2 PHE A 202 -6.638 0.780 -10.689 1.00 0.00 C ATOM 315 CE1 PHE A 202 -6.680 0.332 -7.927 1.00 0.00 C ATOM 316 CE2 PHE A 202 -6.446 -0.511 -10.187 1.00 0.00 C ATOM 317 CZ PHE A 202 -6.468 -0.735 -8.806 1.00 0.00 C ATOM 0 H PHE A 202 -8.655 1.782 -11.385 1.00 0.00 H new ATOM 0 HA PHE A 202 -8.877 3.697 -9.287 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -6.681 3.281 -11.392 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -6.457 3.950 -9.788 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -7.036 2.451 -7.754 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -6.622 0.952 -11.755 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -6.696 0.159 -6.861 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -6.281 -1.335 -10.865 1.00 0.00 H new ATOM 0 HZ PHE A 202 -6.321 -1.732 -8.419 1.00 0.00 H new ATOM 327 N GLY A 203 -8.477 5.060 -12.256 1.00 0.00 N ATOM 328 CA GLY A 203 -8.736 6.335 -12.964 1.00 0.00 C ATOM 329 C GLY A 203 -10.208 6.674 -12.756 1.00 0.00 C ATOM 330 O GLY A 203 -10.621 7.814 -12.847 1.00 0.00 O ATOM 0 H GLY A 203 -8.074 4.315 -12.825 1.00 0.00 H new ATOM 0 HA2 GLY A 203 -8.099 7.129 -12.573 1.00 0.00 H new ATOM 0 HA3 GLY A 203 -8.510 6.239 -14.026 1.00 0.00 H new ATOM 334 N GLY A 204 -10.998 5.675 -12.453 1.00 0.00 N ATOM 335 CA GLY A 204 -12.444 5.903 -12.208 1.00 0.00 C ATOM 336 C GLY A 204 -12.607 6.683 -10.907 1.00 0.00 C ATOM 337 O GLY A 204 -13.329 7.658 -10.848 1.00 0.00 O ATOM 0 H GLY A 204 -10.695 4.705 -12.365 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -12.884 6.457 -13.037 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -12.971 4.951 -12.145 1.00 0.00 H new ATOM 341 N PHE A 205 -11.930 6.279 -9.860 1.00 0.00 N ATOM 342 CA PHE A 205 -12.059 7.036 -8.581 1.00 0.00 C ATOM 343 C PHE A 205 -11.697 8.496 -8.838 1.00 0.00 C ATOM 344 O PHE A 205 -12.215 9.404 -8.218 1.00 0.00 O ATOM 345 CB PHE A 205 -11.054 6.393 -7.627 1.00 0.00 C ATOM 346 CG PHE A 205 -11.534 5.013 -7.255 1.00 0.00 C ATOM 347 CD1 PHE A 205 -11.215 3.920 -8.067 1.00 0.00 C ATOM 348 CD2 PHE A 205 -12.295 4.827 -6.098 1.00 0.00 C ATOM 349 CE1 PHE A 205 -11.660 2.637 -7.720 1.00 0.00 C ATOM 350 CE2 PHE A 205 -12.740 3.549 -5.749 1.00 0.00 C ATOM 351 CZ PHE A 205 -12.422 2.452 -6.560 1.00 0.00 C ATOM 0 H PHE A 205 -11.305 5.473 -9.836 1.00 0.00 H new ATOM 0 HA PHE A 205 -13.068 7.007 -8.169 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -10.073 6.335 -8.099 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -10.941 7.005 -6.732 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -10.626 4.064 -8.961 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -12.540 5.672 -5.472 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -11.415 1.792 -8.347 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -13.329 3.407 -4.855 1.00 0.00 H new ATOM 0 HZ PHE A 205 -12.764 1.464 -6.291 1.00 0.00 H new ATOM 361 N GLY A 206 -10.811 8.716 -9.765 1.00 0.00 N ATOM 362 CA GLY A 206 -10.391 10.100 -10.106 1.00 0.00 C ATOM 363 C GLY A 206 -9.402 10.015 -11.263 1.00 0.00 C ATOM 364 O GLY A 206 -8.560 9.141 -11.294 1.00 0.00 O ATOM 0 H GLY A 206 -10.353 7.984 -10.309 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -11.255 10.703 -10.385 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -9.930 10.583 -9.244 1.00 0.00 H new ATOM 368 N GLU A 207 -9.495 10.894 -12.224 1.00 0.00 N ATOM 369 CA GLU A 207 -8.545 10.819 -13.369 1.00 0.00 C ATOM 370 C GLU A 207 -7.137 10.556 -12.848 1.00 0.00 C ATOM 371 O GLU A 207 -6.749 11.037 -11.802 1.00 0.00 O ATOM 372 CB GLU A 207 -8.616 12.175 -14.065 1.00 0.00 C ATOM 373 CG GLU A 207 -8.520 13.294 -13.026 1.00 0.00 C ATOM 374 CD GLU A 207 -9.712 14.239 -13.182 1.00 0.00 C ATOM 375 OE1 GLU A 207 -9.791 14.896 -14.208 1.00 0.00 O ATOM 376 OE2 GLU A 207 -10.526 14.289 -12.276 1.00 0.00 O ATOM 0 H GLU A 207 -10.178 11.651 -12.266 1.00 0.00 H new ATOM 0 HA GLU A 207 -8.797 10.012 -14.058 1.00 0.00 H new ATOM 0 HB2 GLU A 207 -7.805 12.266 -14.788 1.00 0.00 H new ATOM 0 HB3 GLU A 207 -9.550 12.261 -14.621 1.00 0.00 H new ATOM 0 HG2 GLU A 207 -8.506 12.872 -12.021 1.00 0.00 H new ATOM 0 HG3 GLU A 207 -7.587 13.844 -13.153 1.00 0.00 H new ATOM 383 N VAL A 208 -6.378 9.779 -13.558 1.00 0.00 N ATOM 384 CA VAL A 208 -5.005 9.460 -13.103 1.00 0.00 C ATOM 385 C VAL A 208 -3.978 10.298 -13.856 1.00 0.00 C ATOM 386 O VAL A 208 -4.175 10.670 -14.996 1.00 0.00 O ATOM 387 CB VAL A 208 -4.830 7.979 -13.453 1.00 0.00 C ATOM 388 CG1 VAL A 208 -3.341 7.625 -13.500 1.00 0.00 C ATOM 389 CG2 VAL A 208 -5.531 7.120 -12.401 1.00 0.00 C ATOM 0 H VAL A 208 -6.652 9.348 -14.441 1.00 0.00 H new ATOM 0 HA VAL A 208 -4.862 9.668 -12.043 1.00 0.00 H new ATOM 0 HB VAL A 208 -5.271 7.787 -14.431 1.00 0.00 H new ATOM 0 HG11 VAL A 208 -3.225 6.570 -13.749 1.00 0.00 H new ATOM 0 HG12 VAL A 208 -2.846 8.233 -14.257 1.00 0.00 H new ATOM 0 HG13 VAL A 208 -2.890 7.819 -12.527 1.00 0.00 H new ATOM 0 HG21 VAL A 208 -5.407 6.066 -12.650 1.00 0.00 H new ATOM 0 HG22 VAL A 208 -5.094 7.316 -11.422 1.00 0.00 H new ATOM 0 HG23 VAL A 208 -6.593 7.365 -12.380 1.00 0.00 H new ATOM 399 N GLU A 209 -2.859 10.544 -13.246 1.00 0.00 N ATOM 400 CA GLU A 209 -1.791 11.295 -13.945 1.00 0.00 C ATOM 401 C GLU A 209 -0.973 10.254 -14.691 1.00 0.00 C ATOM 402 O GLU A 209 -0.839 10.287 -15.898 1.00 0.00 O ATOM 403 CB GLU A 209 -0.965 11.956 -12.842 1.00 0.00 C ATOM 404 CG GLU A 209 0.370 12.434 -13.417 1.00 0.00 C ATOM 405 CD GLU A 209 0.703 13.815 -12.851 1.00 0.00 C ATOM 406 OE1 GLU A 209 0.754 13.939 -11.638 1.00 0.00 O ATOM 407 OE2 GLU A 209 0.901 14.725 -13.639 1.00 0.00 O ATOM 0 H GLU A 209 -2.638 10.257 -12.292 1.00 0.00 H new ATOM 0 HA GLU A 209 -2.147 12.051 -14.645 1.00 0.00 H new ATOM 0 HB2 GLU A 209 -1.513 12.798 -12.419 1.00 0.00 H new ATOM 0 HB3 GLU A 209 -0.791 11.249 -12.031 1.00 0.00 H new ATOM 0 HG2 GLU A 209 1.160 11.726 -13.167 1.00 0.00 H new ATOM 0 HG3 GLU A 209 0.315 12.479 -14.505 1.00 0.00 H new ATOM 414 N SER A 210 -0.475 9.291 -13.969 1.00 0.00 N ATOM 415 CA SER A 210 0.277 8.191 -14.606 1.00 0.00 C ATOM 416 C SER A 210 0.150 6.969 -13.713 1.00 0.00 C ATOM 417 O SER A 210 -0.148 7.090 -12.544 1.00 0.00 O ATOM 418 CB SER A 210 1.726 8.665 -14.687 1.00 0.00 C ATOM 419 OG SER A 210 1.841 9.653 -15.702 1.00 0.00 O ATOM 0 H SER A 210 -0.561 9.224 -12.955 1.00 0.00 H new ATOM 0 HA SER A 210 -0.089 7.933 -15.600 1.00 0.00 H new ATOM 0 HB2 SER A 210 2.041 9.075 -13.727 1.00 0.00 H new ATOM 0 HB3 SER A 210 2.384 7.824 -14.906 1.00 0.00 H new ATOM 0 HG SER A 210 0.948 9.904 -16.017 1.00 0.00 H new ATOM 425 N ILE A 211 0.382 5.800 -14.215 1.00 0.00 N ATOM 426 CA ILE A 211 0.281 4.625 -13.318 1.00 0.00 C ATOM 427 C ILE A 211 1.659 4.044 -13.086 1.00 0.00 C ATOM 428 O ILE A 211 2.666 4.624 -13.440 1.00 0.00 O ATOM 429 CB ILE A 211 -0.597 3.598 -14.009 1.00 0.00 C ATOM 430 CG1 ILE A 211 0.078 3.118 -15.297 1.00 0.00 C ATOM 431 CG2 ILE A 211 -1.951 4.216 -14.330 1.00 0.00 C ATOM 432 CD1 ILE A 211 -0.712 1.946 -15.883 1.00 0.00 C ATOM 0 H ILE A 211 0.632 5.605 -15.185 1.00 0.00 H new ATOM 0 HA ILE A 211 -0.144 4.909 -12.355 1.00 0.00 H new ATOM 0 HB ILE A 211 -0.741 2.744 -13.347 1.00 0.00 H new ATOM 0 HG12 ILE A 211 0.128 3.933 -16.019 1.00 0.00 H new ATOM 0 HG13 ILE A 211 1.103 2.812 -15.090 1.00 0.00 H new ATOM 0 HG21 ILE A 211 -2.580 3.477 -14.826 1.00 0.00 H new ATOM 0 HG22 ILE A 211 -2.431 4.540 -13.407 1.00 0.00 H new ATOM 0 HG23 ILE A 211 -1.813 5.074 -14.987 1.00 0.00 H new ATOM 0 HD11 ILE A 211 -0.231 1.605 -16.800 1.00 0.00 H new ATOM 0 HD12 ILE A 211 -0.739 1.129 -15.162 1.00 0.00 H new ATOM 0 HD13 ILE A 211 -1.729 2.268 -16.105 1.00 0.00 H new ATOM 444 N GLU A 212 1.708 2.902 -12.493 1.00 0.00 N ATOM 445 CA GLU A 212 3.019 2.268 -12.229 1.00 0.00 C ATOM 446 C GLU A 212 2.866 0.749 -12.187 1.00 0.00 C ATOM 447 O GLU A 212 2.026 0.221 -11.498 1.00 0.00 O ATOM 448 CB GLU A 212 3.437 2.816 -10.867 1.00 0.00 C ATOM 449 CG GLU A 212 4.561 1.953 -10.290 1.00 0.00 C ATOM 450 CD GLU A 212 5.782 2.023 -11.207 1.00 0.00 C ATOM 451 OE1 GLU A 212 5.691 1.532 -12.321 1.00 0.00 O ATOM 452 OE2 GLU A 212 6.787 2.567 -10.783 1.00 0.00 O ATOM 0 H GLU A 212 0.896 2.373 -12.176 1.00 0.00 H new ATOM 0 HA GLU A 212 3.759 2.483 -13.000 1.00 0.00 H new ATOM 0 HB2 GLU A 212 3.772 3.849 -10.966 1.00 0.00 H new ATOM 0 HB3 GLU A 212 2.584 2.821 -10.188 1.00 0.00 H new ATOM 0 HG2 GLU A 212 4.824 2.300 -9.291 1.00 0.00 H new ATOM 0 HG3 GLU A 212 4.226 0.920 -10.191 1.00 0.00 H new ATOM 459 N LEU A 213 3.671 0.038 -12.909 1.00 0.00 N ATOM 460 CA LEU A 213 3.554 -1.442 -12.875 1.00 0.00 C ATOM 461 C LEU A 213 4.658 -1.997 -11.997 1.00 0.00 C ATOM 462 O LEU A 213 5.444 -1.240 -11.463 1.00 0.00 O ATOM 463 CB LEU A 213 3.697 -1.885 -14.321 1.00 0.00 C ATOM 464 CG LEU A 213 2.542 -1.303 -15.147 1.00 0.00 C ATOM 465 CD1 LEU A 213 1.243 -1.355 -14.331 1.00 0.00 C ATOM 466 CD2 LEU A 213 2.854 0.153 -15.505 1.00 0.00 C ATOM 0 H LEU A 213 4.400 0.409 -13.518 1.00 0.00 H new ATOM 0 HA LEU A 213 2.610 -1.797 -12.461 1.00 0.00 H new ATOM 0 HB2 LEU A 213 4.653 -1.549 -14.723 1.00 0.00 H new ATOM 0 HB3 LEU A 213 3.691 -2.973 -14.382 1.00 0.00 H new ATOM 0 HG LEU A 213 2.422 -1.889 -16.058 1.00 0.00 H new ATOM 0 HD11 LEU A 213 0.426 -0.941 -14.921 1.00 0.00 H new ATOM 0 HD12 LEU A 213 1.016 -2.390 -14.073 1.00 0.00 H new ATOM 0 HD13 LEU A 213 1.363 -0.772 -13.418 1.00 0.00 H new ATOM 0 HD21 LEU A 213 2.034 0.567 -16.092 1.00 0.00 H new ATOM 0 HD22 LEU A 213 2.976 0.734 -14.591 1.00 0.00 H new ATOM 0 HD23 LEU A 213 3.774 0.195 -16.087 1.00 0.00 H new ATOM 478 N PRO A 214 4.685 -3.289 -11.825 1.00 0.00 N ATOM 479 CA PRO A 214 5.702 -3.860 -10.954 1.00 0.00 C ATOM 480 C PRO A 214 7.103 -3.651 -11.541 1.00 0.00 C ATOM 481 O PRO A 214 7.295 -2.853 -12.437 1.00 0.00 O ATOM 482 CB PRO A 214 5.312 -5.339 -10.884 1.00 0.00 C ATOM 483 CG PRO A 214 4.043 -5.543 -11.732 1.00 0.00 C ATOM 484 CD PRO A 214 3.737 -4.229 -12.462 1.00 0.00 C ATOM 0 HA PRO A 214 5.744 -3.399 -9.967 1.00 0.00 H new ATOM 0 HB2 PRO A 214 6.123 -5.964 -11.257 1.00 0.00 H new ATOM 0 HB3 PRO A 214 5.131 -5.636 -9.851 1.00 0.00 H new ATOM 0 HG2 PRO A 214 4.191 -6.350 -12.449 1.00 0.00 H new ATOM 0 HG3 PRO A 214 3.204 -5.830 -11.098 1.00 0.00 H new ATOM 0 HD2 PRO A 214 3.905 -4.311 -13.536 1.00 0.00 H new ATOM 0 HD3 PRO A 214 2.701 -3.918 -12.324 1.00 0.00 H new ATOM 662 N PHE A 225 4.286 -6.184 -7.446 1.00 0.00 N ATOM 663 CA PHE A 225 2.960 -5.473 -7.421 1.00 0.00 C ATOM 664 C PHE A 225 2.932 -4.349 -8.455 1.00 0.00 C ATOM 665 O PHE A 225 3.896 -4.095 -9.137 1.00 0.00 O ATOM 666 CB PHE A 225 2.800 -4.892 -6.006 1.00 0.00 C ATOM 667 CG PHE A 225 4.134 -4.432 -5.459 1.00 0.00 C ATOM 668 CD1 PHE A 225 4.988 -3.656 -6.252 1.00 0.00 C ATOM 669 CD2 PHE A 225 4.517 -4.788 -4.159 1.00 0.00 C ATOM 670 CE1 PHE A 225 6.223 -3.234 -5.747 1.00 0.00 C ATOM 671 CE2 PHE A 225 5.754 -4.366 -3.655 1.00 0.00 C ATOM 672 CZ PHE A 225 6.606 -3.589 -4.448 1.00 0.00 C ATOM 0 HA PHE A 225 2.148 -6.159 -7.663 1.00 0.00 H new ATOM 0 HB2 PHE A 225 2.103 -4.054 -6.029 1.00 0.00 H new ATOM 0 HB3 PHE A 225 2.371 -5.645 -5.345 1.00 0.00 H new ATOM 0 HD1 PHE A 225 4.693 -3.383 -7.254 1.00 0.00 H new ATOM 0 HD2 PHE A 225 3.859 -5.387 -3.546 1.00 0.00 H new ATOM 0 HE1 PHE A 225 6.881 -2.635 -6.359 1.00 0.00 H new ATOM 0 HE2 PHE A 225 6.050 -4.641 -2.653 1.00 0.00 H new ATOM 0 HZ PHE A 225 7.559 -3.263 -4.058 1.00 0.00 H new ATOM 682 N CYS A 226 1.824 -3.677 -8.575 1.00 0.00 N ATOM 683 CA CYS A 226 1.724 -2.565 -9.570 1.00 0.00 C ATOM 684 C CYS A 226 1.154 -1.309 -8.885 1.00 0.00 C ATOM 685 O CYS A 226 0.054 -1.333 -8.370 1.00 0.00 O ATOM 686 CB CYS A 226 0.734 -3.056 -10.644 1.00 0.00 C ATOM 687 SG CYS A 226 -0.561 -4.095 -9.912 1.00 0.00 S ATOM 0 H CYS A 226 0.980 -3.846 -8.028 1.00 0.00 H new ATOM 0 HA CYS A 226 2.695 -2.312 -9.994 1.00 0.00 H new ATOM 0 HB2 CYS A 226 0.279 -2.200 -11.143 1.00 0.00 H new ATOM 0 HB3 CYS A 226 1.270 -3.621 -11.406 1.00 0.00 H new ATOM 0 HG CYS A 226 -1.378 -4.490 -10.843 1.00 0.00 H new ATOM 693 N PHE A 227 1.867 -0.210 -8.877 1.00 0.00 N ATOM 694 CA PHE A 227 1.313 1.022 -8.228 1.00 0.00 C ATOM 695 C PHE A 227 0.638 1.909 -9.279 1.00 0.00 C ATOM 696 O PHE A 227 0.516 1.553 -10.429 1.00 0.00 O ATOM 697 CB PHE A 227 2.509 1.782 -7.631 1.00 0.00 C ATOM 698 CG PHE A 227 3.040 1.116 -6.377 1.00 0.00 C ATOM 699 CD1 PHE A 227 3.249 -0.273 -6.324 1.00 0.00 C ATOM 700 CD2 PHE A 227 3.357 1.910 -5.265 1.00 0.00 C ATOM 701 CE1 PHE A 227 3.774 -0.856 -5.162 1.00 0.00 C ATOM 702 CE2 PHE A 227 3.876 1.322 -4.104 1.00 0.00 C ATOM 703 CZ PHE A 227 4.088 -0.060 -4.053 1.00 0.00 C ATOM 0 H PHE A 227 2.796 -0.111 -9.285 1.00 0.00 H new ATOM 0 HA PHE A 227 0.577 0.761 -7.467 1.00 0.00 H new ATOM 0 HB2 PHE A 227 3.305 1.844 -8.373 1.00 0.00 H new ATOM 0 HB3 PHE A 227 2.209 2.804 -7.399 1.00 0.00 H new ATOM 0 HD1 PHE A 227 3.006 -0.890 -7.177 1.00 0.00 H new ATOM 0 HD2 PHE A 227 3.201 2.978 -5.304 1.00 0.00 H new ATOM 0 HE1 PHE A 227 3.937 -1.923 -5.122 1.00 0.00 H new ATOM 0 HE2 PHE A 227 4.113 1.936 -3.248 1.00 0.00 H new ATOM 0 HZ PHE A 227 4.493 -0.512 -3.160 1.00 0.00 H new ATOM 713 N ILE A 228 0.220 3.074 -8.879 1.00 0.00 N ATOM 714 CA ILE A 228 -0.428 4.035 -9.823 1.00 0.00 C ATOM 715 C ILE A 228 -0.370 5.428 -9.181 1.00 0.00 C ATOM 716 O ILE A 228 -0.661 5.571 -8.015 1.00 0.00 O ATOM 717 CB ILE A 228 -1.876 3.563 -9.948 1.00 0.00 C ATOM 718 CG1 ILE A 228 -1.907 2.275 -10.784 1.00 0.00 C ATOM 719 CG2 ILE A 228 -2.719 4.658 -10.621 1.00 0.00 C ATOM 720 CD1 ILE A 228 -3.253 2.130 -11.494 1.00 0.00 C ATOM 0 H ILE A 228 0.300 3.411 -7.920 1.00 0.00 H new ATOM 0 HA ILE A 228 0.053 4.080 -10.800 1.00 0.00 H new ATOM 0 HB ILE A 228 -2.292 3.363 -8.960 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -1.102 2.292 -11.518 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -1.734 1.412 -10.140 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.751 4.320 -10.709 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -2.685 5.565 -10.018 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.319 4.866 -11.613 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -3.257 1.212 -12.082 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -4.052 2.091 -10.754 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -3.410 2.984 -12.153 1.00 0.00 H new ATOM 732 N THR A 229 0.005 6.461 -9.890 1.00 0.00 N ATOM 733 CA THR A 229 0.059 7.793 -9.220 1.00 0.00 C ATOM 734 C THR A 229 -1.079 8.669 -9.704 1.00 0.00 C ATOM 735 O THR A 229 -1.408 8.695 -10.874 1.00 0.00 O ATOM 736 CB THR A 229 1.427 8.390 -9.576 1.00 0.00 C ATOM 737 OG1 THR A 229 1.767 9.379 -8.614 1.00 0.00 O ATOM 738 CG2 THR A 229 1.388 9.028 -10.966 1.00 0.00 C ATOM 0 H THR A 229 0.269 6.444 -10.875 1.00 0.00 H new ATOM 0 HA THR A 229 -0.054 7.713 -8.139 1.00 0.00 H new ATOM 0 HB THR A 229 2.172 7.594 -9.577 1.00 0.00 H new ATOM 0 HG1 THR A 229 2.641 9.763 -8.835 1.00 0.00 H new ATOM 0 HG21 THR A 229 2.367 9.446 -11.202 1.00 0.00 H new ATOM 0 HG22 THR A 229 1.129 8.271 -11.706 1.00 0.00 H new ATOM 0 HG23 THR A 229 0.641 9.822 -10.981 1.00 0.00 H new ATOM 746 N PHE A 230 -1.694 9.383 -8.810 1.00 0.00 N ATOM 747 CA PHE A 230 -2.835 10.250 -9.254 1.00 0.00 C ATOM 748 C PHE A 230 -2.406 11.716 -9.434 1.00 0.00 C ATOM 749 O PHE A 230 -1.660 12.039 -10.335 1.00 0.00 O ATOM 750 CB PHE A 230 -3.917 10.115 -8.187 1.00 0.00 C ATOM 751 CG PHE A 230 -4.715 8.855 -8.441 1.00 0.00 C ATOM 752 CD1 PHE A 230 -4.303 7.633 -7.891 1.00 0.00 C ATOM 753 CD2 PHE A 230 -5.868 8.910 -9.234 1.00 0.00 C ATOM 754 CE1 PHE A 230 -5.046 6.471 -8.135 1.00 0.00 C ATOM 755 CE2 PHE A 230 -6.609 7.747 -9.476 1.00 0.00 C ATOM 756 CZ PHE A 230 -6.198 6.529 -8.926 1.00 0.00 C ATOM 0 H PHE A 230 -1.471 9.411 -7.815 1.00 0.00 H new ATOM 0 HA PHE A 230 -3.202 9.931 -10.230 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -3.464 10.079 -7.196 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -4.573 10.985 -8.206 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -3.414 7.588 -7.280 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -6.186 9.850 -9.659 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -4.729 5.529 -7.712 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -7.498 7.791 -10.088 1.00 0.00 H new ATOM 0 HZ PHE A 230 -6.771 5.632 -9.112 1.00 0.00 H new ATOM 766 N LYS A 231 -2.892 12.616 -8.614 1.00 0.00 N ATOM 767 CA LYS A 231 -2.526 14.052 -8.790 1.00 0.00 C ATOM 768 C LYS A 231 -3.305 14.915 -7.791 1.00 0.00 C ATOM 769 O LYS A 231 -2.737 15.684 -7.041 1.00 0.00 O ATOM 770 CB LYS A 231 -2.952 14.364 -10.224 1.00 0.00 C ATOM 771 CG LYS A 231 -3.107 15.876 -10.409 1.00 0.00 C ATOM 772 CD LYS A 231 -3.176 16.202 -11.902 1.00 0.00 C ATOM 773 CE LYS A 231 -3.930 17.519 -12.103 1.00 0.00 C ATOM 774 NZ LYS A 231 -3.316 18.466 -11.132 1.00 0.00 N ATOM 0 H LYS A 231 -3.522 12.418 -7.836 1.00 0.00 H new ATOM 0 HA LYS A 231 -1.469 14.252 -8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -2.211 13.978 -10.924 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -3.894 13.864 -10.449 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -4.010 16.224 -9.908 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -2.267 16.397 -9.950 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -2.170 16.280 -12.315 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -3.679 15.397 -12.438 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -3.827 17.881 -13.126 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -4.996 17.396 -11.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -3.447 19.441 -11.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -3.771 18.355 -10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -2.300 18.264 -11.045 1.00 0.00 H new ATOM 788 N GLU A 232 -4.601 14.782 -7.765 1.00 0.00 N ATOM 789 CA GLU A 232 -5.415 15.580 -6.799 1.00 0.00 C ATOM 790 C GLU A 232 -5.256 14.974 -5.409 1.00 0.00 C ATOM 791 O GLU A 232 -5.465 15.630 -4.408 1.00 0.00 O ATOM 792 CB GLU A 232 -6.866 15.448 -7.271 1.00 0.00 C ATOM 793 CG GLU A 232 -6.918 15.446 -8.799 1.00 0.00 C ATOM 794 CD GLU A 232 -8.194 16.142 -9.271 1.00 0.00 C ATOM 795 OE1 GLU A 232 -8.292 17.344 -9.088 1.00 0.00 O ATOM 796 OE2 GLU A 232 -9.053 15.463 -9.808 1.00 0.00 O ATOM 0 H GLU A 232 -5.134 14.157 -8.369 1.00 0.00 H new ATOM 0 HA GLU A 232 -5.109 16.625 -6.755 1.00 0.00 H new ATOM 0 HB2 GLU A 232 -7.302 14.527 -6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 232 -7.461 16.273 -6.879 1.00 0.00 H new ATOM 0 HG2 GLU A 232 -6.043 15.956 -9.203 1.00 0.00 H new ATOM 0 HG3 GLU A 232 -6.891 14.422 -9.172 1.00 0.00 H new ATOM 803 N GLU A 233 -4.894 13.710 -5.370 1.00 0.00 N ATOM 804 CA GLU A 233 -4.694 12.955 -4.085 1.00 0.00 C ATOM 805 C GLU A 233 -6.051 12.349 -3.647 1.00 0.00 C ATOM 806 O GLU A 233 -6.127 11.406 -2.874 1.00 0.00 O ATOM 807 CB GLU A 233 -4.171 13.984 -3.053 1.00 0.00 C ATOM 808 CG GLU A 233 -5.300 14.480 -2.139 1.00 0.00 C ATOM 809 CD GLU A 233 -4.905 15.822 -1.522 1.00 0.00 C ATOM 810 OE1 GLU A 233 -3.870 16.344 -1.903 1.00 0.00 O ATOM 811 OE2 GLU A 233 -5.643 16.306 -0.680 1.00 0.00 O ATOM 0 H GLU A 233 -4.723 13.151 -6.206 1.00 0.00 H new ATOM 0 HA GLU A 233 -3.984 12.134 -4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -3.385 13.530 -2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -3.724 14.830 -3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -6.223 14.587 -2.709 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -5.494 13.750 -1.353 1.00 0.00 H new ATOM 818 N GLU A 234 -7.122 12.918 -4.148 1.00 0.00 N ATOM 819 CA GLU A 234 -8.496 12.450 -3.800 1.00 0.00 C ATOM 820 C GLU A 234 -8.751 10.992 -4.210 1.00 0.00 C ATOM 821 O GLU A 234 -9.303 10.237 -3.434 1.00 0.00 O ATOM 822 CB GLU A 234 -9.427 13.380 -4.579 1.00 0.00 C ATOM 823 CG GLU A 234 -10.253 14.212 -3.596 1.00 0.00 C ATOM 824 CD GLU A 234 -10.853 15.416 -4.324 1.00 0.00 C ATOM 825 OE1 GLU A 234 -11.909 15.261 -4.915 1.00 0.00 O ATOM 826 OE2 GLU A 234 -10.248 16.475 -4.278 1.00 0.00 O ATOM 0 H GLU A 234 -7.097 13.704 -4.797 1.00 0.00 H new ATOM 0 HA GLU A 234 -8.652 12.479 -2.722 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -8.845 14.035 -5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -10.086 12.797 -5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -11.047 13.602 -3.164 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -9.625 14.548 -2.771 1.00 0.00 H new ATOM 833 N PRO A 235 -8.371 10.624 -5.413 1.00 0.00 N ATOM 834 CA PRO A 235 -8.613 9.239 -5.870 1.00 0.00 C ATOM 835 C PRO A 235 -8.023 8.255 -4.863 1.00 0.00 C ATOM 836 O PRO A 235 -8.480 7.138 -4.730 1.00 0.00 O ATOM 837 CB PRO A 235 -7.910 9.198 -7.227 1.00 0.00 C ATOM 838 CG PRO A 235 -7.313 10.590 -7.511 1.00 0.00 C ATOM 839 CD PRO A 235 -7.680 11.533 -6.357 1.00 0.00 C ATOM 0 HA PRO A 235 -9.664 8.963 -5.954 1.00 0.00 H new ATOM 0 HB2 PRO A 235 -7.124 8.442 -7.224 1.00 0.00 H new ATOM 0 HB3 PRO A 235 -8.615 8.921 -8.011 1.00 0.00 H new ATOM 0 HG2 PRO A 235 -6.230 10.522 -7.612 1.00 0.00 H new ATOM 0 HG3 PRO A 235 -7.698 10.980 -8.453 1.00 0.00 H new ATOM 0 HD2 PRO A 235 -6.798 11.990 -5.909 1.00 0.00 H new ATOM 0 HD3 PRO A 235 -8.327 12.346 -6.686 1.00 0.00 H new ATOM 847 N VAL A 236 -7.037 8.677 -4.125 1.00 0.00 N ATOM 848 CA VAL A 236 -6.450 7.782 -3.095 1.00 0.00 C ATOM 849 C VAL A 236 -7.384 7.740 -1.895 1.00 0.00 C ATOM 850 O VAL A 236 -7.707 6.693 -1.382 1.00 0.00 O ATOM 851 CB VAL A 236 -5.122 8.437 -2.713 1.00 0.00 C ATOM 852 CG1 VAL A 236 -4.771 8.133 -1.254 1.00 0.00 C ATOM 853 CG2 VAL A 236 -4.027 7.880 -3.600 1.00 0.00 C ATOM 0 H VAL A 236 -6.613 9.602 -4.191 1.00 0.00 H new ATOM 0 HA VAL A 236 -6.307 6.760 -3.447 1.00 0.00 H new ATOM 0 HB VAL A 236 -5.213 9.516 -2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -3.823 8.608 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -5.555 8.520 -0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -4.685 7.055 -1.118 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -3.075 8.341 -3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -3.959 6.801 -3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -4.258 8.097 -4.643 1.00 0.00 H new ATOM 863 N LYS A 237 -7.819 8.882 -1.449 1.00 0.00 N ATOM 864 CA LYS A 237 -8.741 8.909 -0.280 1.00 0.00 C ATOM 865 C LYS A 237 -9.793 7.834 -0.460 1.00 0.00 C ATOM 866 O LYS A 237 -10.101 7.069 0.435 1.00 0.00 O ATOM 867 CB LYS A 237 -9.426 10.268 -0.324 1.00 0.00 C ATOM 868 CG LYS A 237 -9.376 10.917 1.060 1.00 0.00 C ATOM 869 CD LYS A 237 -10.788 10.978 1.645 1.00 0.00 C ATOM 870 CE LYS A 237 -10.710 10.945 3.174 1.00 0.00 C ATOM 871 NZ LYS A 237 -9.659 11.937 3.530 1.00 0.00 N ATOM 0 H LYS A 237 -7.579 9.793 -1.839 1.00 0.00 H new ATOM 0 HA LYS A 237 -8.212 8.743 0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 237 -8.934 10.910 -1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 237 -10.461 10.154 -0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 237 -8.722 10.345 1.718 1.00 0.00 H new ATOM 0 HG3 LYS A 237 -8.957 11.921 0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 237 -11.290 11.887 1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 237 -11.380 10.138 1.282 1.00 0.00 H new ATOM 0 HE2 LYS A 237 -11.668 11.207 3.623 1.00 0.00 H new ATOM 0 HE3 LYS A 237 -10.451 9.949 3.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 237 -9.834 12.299 4.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 237 -8.725 11.480 3.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 237 -9.683 12.726 2.853 1.00 0.00 H new ATOM 885 N LYS A 238 -10.346 7.778 -1.631 1.00 0.00 N ATOM 886 CA LYS A 238 -11.390 6.768 -1.898 1.00 0.00 C ATOM 887 C LYS A 238 -10.761 5.388 -1.976 1.00 0.00 C ATOM 888 O LYS A 238 -11.060 4.502 -1.201 1.00 0.00 O ATOM 889 CB LYS A 238 -11.984 7.130 -3.252 1.00 0.00 C ATOM 890 CG LYS A 238 -13.496 7.318 -3.113 1.00 0.00 C ATOM 891 CD LYS A 238 -13.932 8.561 -3.891 1.00 0.00 C ATOM 892 CE LYS A 238 -13.957 9.767 -2.950 1.00 0.00 C ATOM 893 NZ LYS A 238 -12.606 10.379 -3.080 1.00 0.00 N ATOM 0 H LYS A 238 -10.119 8.390 -2.415 1.00 0.00 H new ATOM 0 HA LYS A 238 -12.145 6.755 -1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 238 -11.526 8.045 -3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 238 -11.770 6.344 -3.977 1.00 0.00 H new ATOM 0 HG2 LYS A 238 -14.018 6.439 -3.490 1.00 0.00 H new ATOM 0 HG3 LYS A 238 -13.765 7.422 -2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 238 -13.246 8.745 -4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 238 -14.919 8.404 -4.325 1.00 0.00 H new ATOM 0 HE2 LYS A 238 -14.739 10.472 -3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 238 -14.156 9.463 -1.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 238 -12.677 11.408 -2.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 238 -11.974 9.982 -2.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 238 -12.222 10.175 -4.025 1.00 0.00 H new ATOM 907 N ILE A 239 -9.888 5.207 -2.923 1.00 0.00 N ATOM 908 CA ILE A 239 -9.224 3.890 -3.079 1.00 0.00 C ATOM 909 C ILE A 239 -8.822 3.361 -1.702 1.00 0.00 C ATOM 910 O ILE A 239 -9.337 2.368 -1.227 1.00 0.00 O ATOM 911 CB ILE A 239 -7.992 4.164 -3.943 1.00 0.00 C ATOM 912 CG1 ILE A 239 -8.428 4.445 -5.384 1.00 0.00 C ATOM 913 CG2 ILE A 239 -7.071 2.944 -3.922 1.00 0.00 C ATOM 914 CD1 ILE A 239 -9.096 3.199 -5.969 1.00 0.00 C ATOM 0 H ILE A 239 -9.606 5.918 -3.598 1.00 0.00 H new ATOM 0 HA ILE A 239 -9.869 3.140 -3.537 1.00 0.00 H new ATOM 0 HB ILE A 239 -7.460 5.030 -3.548 1.00 0.00 H new ATOM 0 HG12 ILE A 239 -9.120 5.287 -5.408 1.00 0.00 H new ATOM 0 HG13 ILE A 239 -7.565 4.725 -5.988 1.00 0.00 H new ATOM 0 HG21 ILE A 239 -6.193 3.140 -4.538 1.00 0.00 H new ATOM 0 HG22 ILE A 239 -6.758 2.742 -2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 239 -7.604 2.079 -4.315 1.00 0.00 H new ATOM 0 HD11 ILE A 239 -9.406 3.400 -6.995 1.00 0.00 H new ATOM 0 HD12 ILE A 239 -8.390 2.369 -5.959 1.00 0.00 H new ATOM 0 HD13 ILE A 239 -9.969 2.939 -5.370 1.00 0.00 H new ATOM 926 N MET A 240 -7.918 4.032 -1.045 1.00 0.00 N ATOM 927 CA MET A 240 -7.501 3.581 0.312 1.00 0.00 C ATOM 928 C MET A 240 -8.739 3.254 1.158 1.00 0.00 C ATOM 929 O MET A 240 -8.720 2.361 1.981 1.00 0.00 O ATOM 930 CB MET A 240 -6.746 4.772 0.902 1.00 0.00 C ATOM 931 CG MET A 240 -5.852 4.296 2.046 1.00 0.00 C ATOM 932 SD MET A 240 -6.861 4.013 3.523 1.00 0.00 S ATOM 933 CE MET A 240 -5.945 5.104 4.638 1.00 0.00 C ATOM 0 H MET A 240 -7.451 4.871 -1.388 1.00 0.00 H new ATOM 0 HA MET A 240 -6.887 2.681 0.285 1.00 0.00 H new ATOM 0 HB2 MET A 240 -6.143 5.251 0.131 1.00 0.00 H new ATOM 0 HB3 MET A 240 -7.452 5.519 1.265 1.00 0.00 H new ATOM 0 HG2 MET A 240 -5.338 3.378 1.762 1.00 0.00 H new ATOM 0 HG3 MET A 240 -5.083 5.040 2.255 1.00 0.00 H new ATOM 0 HE1 MET A 240 -6.404 5.083 5.626 1.00 0.00 H new ATOM 0 HE2 MET A 240 -4.911 4.765 4.711 1.00 0.00 H new ATOM 0 HE3 MET A 240 -5.967 6.122 4.250 1.00 0.00 H new ATOM 943 N GLU A 241 -9.816 3.975 0.964 1.00 0.00 N ATOM 944 CA GLU A 241 -11.053 3.706 1.758 1.00 0.00 C ATOM 945 C GLU A 241 -11.563 2.281 1.501 1.00 0.00 C ATOM 946 O GLU A 241 -12.424 1.786 2.198 1.00 0.00 O ATOM 947 CB GLU A 241 -12.071 4.733 1.261 1.00 0.00 C ATOM 948 CG GLU A 241 -12.678 5.471 2.457 1.00 0.00 C ATOM 949 CD GLU A 241 -13.933 6.226 2.011 1.00 0.00 C ATOM 950 OE1 GLU A 241 -14.548 5.795 1.050 1.00 0.00 O ATOM 951 OE2 GLU A 241 -14.256 7.221 2.639 1.00 0.00 O ATOM 0 H GLU A 241 -9.891 4.737 0.291 1.00 0.00 H new ATOM 0 HA GLU A 241 -10.875 3.786 2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 241 -11.589 5.443 0.589 1.00 0.00 H new ATOM 0 HB3 GLU A 241 -12.856 4.236 0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 241 -12.929 4.762 3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 241 -11.951 6.168 2.874 1.00 0.00 H new ATOM 958 N LYS A 242 -11.033 1.620 0.509 1.00 0.00 N ATOM 959 CA LYS A 242 -11.481 0.227 0.207 1.00 0.00 C ATOM 960 C LYS A 242 -10.265 -0.621 -0.169 1.00 0.00 C ATOM 961 O LYS A 242 -10.224 -1.248 -1.207 1.00 0.00 O ATOM 962 CB LYS A 242 -12.442 0.357 -0.976 1.00 0.00 C ATOM 963 CG LYS A 242 -13.724 -0.428 -0.687 1.00 0.00 C ATOM 964 CD LYS A 242 -14.383 0.113 0.584 1.00 0.00 C ATOM 965 CE LYS A 242 -14.293 -0.938 1.692 1.00 0.00 C ATOM 966 NZ LYS A 242 -14.603 -0.200 2.948 1.00 0.00 N ATOM 0 H LYS A 242 -10.307 1.984 -0.108 1.00 0.00 H new ATOM 0 HA LYS A 242 -11.966 -0.254 1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -12.678 1.406 -1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -11.970 -0.020 -1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -14.411 -0.344 -1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -13.495 -1.487 -0.567 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -13.890 1.032 0.899 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -15.426 0.362 0.388 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -15.002 -1.749 1.525 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -13.300 -1.386 1.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -14.446 -0.824 3.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -13.984 0.632 3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -15.596 0.108 2.934 1.00 0.00 H new ATOM 980 N LYS A 243 -9.273 -0.611 0.680 1.00 0.00 N ATOM 981 CA LYS A 243 -8.009 -1.378 0.435 1.00 0.00 C ATOM 982 C LYS A 243 -8.222 -2.622 -0.442 1.00 0.00 C ATOM 983 O LYS A 243 -7.358 -2.989 -1.212 1.00 0.00 O ATOM 984 CB LYS A 243 -7.535 -1.791 1.827 1.00 0.00 C ATOM 985 CG LYS A 243 -6.139 -2.408 1.727 1.00 0.00 C ATOM 986 CD LYS A 243 -5.903 -3.339 2.918 1.00 0.00 C ATOM 987 CE LYS A 243 -6.429 -4.737 2.588 1.00 0.00 C ATOM 988 NZ LYS A 243 -5.209 -5.567 2.380 1.00 0.00 N ATOM 0 H LYS A 243 -9.283 -0.090 1.557 1.00 0.00 H new ATOM 0 HA LYS A 243 -7.287 -0.767 -0.107 1.00 0.00 H new ATOM 0 HB2 LYS A 243 -7.515 -0.925 2.488 1.00 0.00 H new ATOM 0 HB3 LYS A 243 -8.231 -2.508 2.262 1.00 0.00 H new ATOM 0 HG2 LYS A 243 -6.042 -2.963 0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 243 -5.383 -1.623 1.711 1.00 0.00 H new ATOM 0 HD2 LYS A 243 -4.839 -3.385 3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 243 -6.407 -2.949 3.803 1.00 0.00 H new ATOM 0 HE2 LYS A 243 -7.041 -5.131 3.400 1.00 0.00 H new ATOM 0 HE3 LYS A 243 -7.054 -4.723 1.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 243 -5.488 -6.542 2.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 243 -4.650 -5.172 1.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 243 -4.637 -5.567 3.248 1.00 0.00 H new ATOM 1002 N TYR A 244 -9.338 -3.290 -0.337 1.00 0.00 N ATOM 1003 CA TYR A 244 -9.535 -4.509 -1.178 1.00 0.00 C ATOM 1004 C TYR A 244 -10.692 -4.288 -2.163 1.00 0.00 C ATOM 1005 O TYR A 244 -11.841 -4.522 -1.845 1.00 0.00 O ATOM 1006 CB TYR A 244 -9.873 -5.620 -0.181 1.00 0.00 C ATOM 1007 CG TYR A 244 -9.305 -6.934 -0.667 1.00 0.00 C ATOM 1008 CD1 TYR A 244 -7.974 -6.997 -1.094 1.00 0.00 C ATOM 1009 CD2 TYR A 244 -10.094 -8.092 -0.667 1.00 0.00 C ATOM 1010 CE1 TYR A 244 -7.430 -8.213 -1.522 1.00 0.00 C ATOM 1011 CE2 TYR A 244 -9.549 -9.308 -1.098 1.00 0.00 C ATOM 1012 CZ TYR A 244 -8.218 -9.369 -1.524 1.00 0.00 C ATOM 1013 OH TYR A 244 -7.682 -10.569 -1.946 1.00 0.00 O ATOM 0 H TYR A 244 -10.112 -3.052 0.283 1.00 0.00 H new ATOM 0 HA TYR A 244 -8.656 -4.753 -1.775 1.00 0.00 H new ATOM 0 HB2 TYR A 244 -9.465 -5.377 0.800 1.00 0.00 H new ATOM 0 HB3 TYR A 244 -10.954 -5.701 -0.065 1.00 0.00 H new ATOM 0 HD1 TYR A 244 -7.365 -6.105 -1.093 1.00 0.00 H new ATOM 0 HD2 TYR A 244 -11.121 -8.047 -0.335 1.00 0.00 H new ATOM 0 HE1 TYR A 244 -6.402 -8.259 -1.851 1.00 0.00 H new ATOM 0 HE2 TYR A 244 -10.157 -10.200 -1.101 1.00 0.00 H new ATOM 0 HH TYR A 244 -7.868 -11.263 -1.279 1.00 0.00 H new ATOM 1023 N HIS A 245 -10.399 -3.835 -3.356 1.00 0.00 N ATOM 1024 CA HIS A 245 -11.489 -3.597 -4.352 1.00 0.00 C ATOM 1025 C HIS A 245 -11.611 -4.781 -5.318 1.00 0.00 C ATOM 1026 O HIS A 245 -11.237 -5.896 -5.013 1.00 0.00 O ATOM 1027 CB HIS A 245 -11.076 -2.351 -5.144 1.00 0.00 C ATOM 1028 CG HIS A 245 -10.430 -1.326 -4.251 1.00 0.00 C ATOM 1029 ND1 HIS A 245 -9.208 -1.287 -3.622 1.00 0.00 N flip ATOM 1030 CD2 HIS A 245 -11.042 -0.118 -3.961 1.00 0.00 C flip ATOM 1031 CE1 HIS A 245 -9.061 -0.071 -2.960 1.00 0.00 C flip ATOM 1032 NE2 HIS A 245 -10.195 0.593 -3.195 1.00 0.00 N flip ATOM 0 H HIS A 245 -9.457 -3.620 -3.683 1.00 0.00 H new ATOM 0 HA HIS A 245 -12.448 -3.473 -3.850 1.00 0.00 H new ATOM 0 HB2 HIS A 245 -10.384 -2.634 -5.937 1.00 0.00 H new ATOM 0 HB3 HIS A 245 -11.952 -1.917 -5.626 1.00 0.00 H new ATOM 0 HD2 HIS A 245 -12.021 0.196 -4.290 1.00 0.00 H new ATOM 0 HE1 HIS A 245 -8.213 0.263 -2.381 1.00 0.00 H new ATOM 0 HE2 HIS A 245 -10.395 1.527 -2.837 1.00 0.00 H new ATOM 1040 N ASN A 246 -12.124 -4.527 -6.494 1.00 0.00 N ATOM 1041 CA ASN A 246 -12.271 -5.605 -7.514 1.00 0.00 C ATOM 1042 C ASN A 246 -11.825 -5.074 -8.880 1.00 0.00 C ATOM 1043 O ASN A 246 -12.046 -3.924 -9.203 1.00 0.00 O ATOM 1044 CB ASN A 246 -13.763 -5.943 -7.528 1.00 0.00 C ATOM 1045 CG ASN A 246 -14.577 -4.654 -7.655 1.00 0.00 C ATOM 1046 OD1 ASN A 246 -14.579 -4.025 -8.694 1.00 0.00 O ATOM 1047 ND2 ASN A 246 -15.272 -4.233 -6.634 1.00 0.00 N ATOM 0 H ASN A 246 -12.451 -3.608 -6.793 1.00 0.00 H new ATOM 0 HA ASN A 246 -11.665 -6.483 -7.290 1.00 0.00 H new ATOM 0 HB2 ASN A 246 -13.988 -6.611 -8.360 1.00 0.00 H new ATOM 0 HB3 ASN A 246 -14.036 -6.470 -6.614 1.00 0.00 H new ATOM 0 HD21 ASN A 246 -15.818 -3.375 -6.708 1.00 0.00 H new ATOM 0 HD22 ASN A 246 -15.269 -4.762 -5.762 1.00 0.00 H new ATOM 1054 N VAL A 247 -11.194 -5.887 -9.684 1.00 0.00 N ATOM 1055 CA VAL A 247 -10.743 -5.394 -11.018 1.00 0.00 C ATOM 1056 C VAL A 247 -10.975 -6.462 -12.088 1.00 0.00 C ATOM 1057 O VAL A 247 -10.612 -7.611 -11.924 1.00 0.00 O ATOM 1058 CB VAL A 247 -9.249 -5.110 -10.851 1.00 0.00 C ATOM 1059 CG1 VAL A 247 -8.593 -4.989 -12.228 1.00 0.00 C ATOM 1060 CG2 VAL A 247 -9.062 -3.797 -10.084 1.00 0.00 C ATOM 0 H VAL A 247 -10.973 -6.861 -9.478 1.00 0.00 H new ATOM 0 HA VAL A 247 -11.292 -4.508 -11.337 1.00 0.00 H new ATOM 0 HB VAL A 247 -8.786 -5.927 -10.298 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -7.529 -4.787 -12.107 1.00 0.00 H new ATOM 0 HG12 VAL A 247 -8.725 -5.921 -12.777 1.00 0.00 H new ATOM 0 HG13 VAL A 247 -9.057 -4.173 -12.782 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -7.998 -3.594 -9.964 1.00 0.00 H new ATOM 0 HG22 VAL A 247 -9.527 -2.982 -10.639 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -9.528 -3.880 -9.102 1.00 0.00 H new ATOM 1070 N GLY A 248 -11.576 -6.091 -13.185 1.00 0.00 N ATOM 1071 CA GLY A 248 -11.832 -7.081 -14.268 1.00 0.00 C ATOM 1072 C GLY A 248 -12.431 -8.351 -13.664 1.00 0.00 C ATOM 1073 O GLY A 248 -13.628 -8.460 -13.481 1.00 0.00 O ATOM 0 H GLY A 248 -11.901 -5.144 -13.378 1.00 0.00 H new ATOM 0 HA2 GLY A 248 -12.514 -6.660 -15.007 1.00 0.00 H new ATOM 0 HA3 GLY A 248 -10.903 -7.316 -14.788 1.00 0.00 H new ATOM 1077 N LEU A 249 -11.609 -9.313 -13.348 1.00 0.00 N ATOM 1078 CA LEU A 249 -12.130 -10.576 -12.753 1.00 0.00 C ATOM 1079 C LEU A 249 -11.291 -10.972 -11.535 1.00 0.00 C ATOM 1080 O LEU A 249 -11.084 -12.139 -11.265 1.00 0.00 O ATOM 1081 CB LEU A 249 -11.995 -11.623 -13.860 1.00 0.00 C ATOM 1082 CG LEU A 249 -13.228 -12.525 -13.863 1.00 0.00 C ATOM 1083 CD1 LEU A 249 -13.989 -12.345 -15.177 1.00 0.00 C ATOM 1084 CD2 LEU A 249 -12.790 -13.986 -13.727 1.00 0.00 C ATOM 0 H LEU A 249 -10.598 -9.279 -13.476 1.00 0.00 H new ATOM 0 HA LEU A 249 -13.160 -10.476 -12.411 1.00 0.00 H new ATOM 0 HB2 LEU A 249 -11.888 -11.133 -14.828 1.00 0.00 H new ATOM 0 HB3 LEU A 249 -11.096 -12.219 -13.704 1.00 0.00 H new ATOM 0 HG LEU A 249 -13.875 -12.258 -13.028 1.00 0.00 H new ATOM 0 HD11 LEU A 249 -14.869 -12.989 -15.179 1.00 0.00 H new ATOM 0 HD12 LEU A 249 -14.300 -11.305 -15.278 1.00 0.00 H new ATOM 0 HD13 LEU A 249 -13.342 -12.613 -16.012 1.00 0.00 H new ATOM 0 HD21 LEU A 249 -13.669 -14.631 -13.729 1.00 0.00 H new ATOM 0 HD22 LEU A 249 -12.143 -14.251 -14.563 1.00 0.00 H new ATOM 0 HD23 LEU A 249 -12.246 -14.117 -12.792 1.00 0.00 H new ATOM 1096 N SER A 250 -10.806 -10.010 -10.796 1.00 0.00 N ATOM 1097 CA SER A 250 -9.984 -10.335 -9.596 1.00 0.00 C ATOM 1098 C SER A 250 -10.151 -9.241 -8.543 1.00 0.00 C ATOM 1099 O SER A 250 -10.695 -8.189 -8.813 1.00 0.00 O ATOM 1100 CB SER A 250 -8.543 -10.380 -10.102 1.00 0.00 C ATOM 1101 OG SER A 250 -7.807 -11.325 -9.335 1.00 0.00 O ATOM 0 H SER A 250 -10.944 -9.015 -10.972 1.00 0.00 H new ATOM 0 HA SER A 250 -10.278 -11.276 -9.131 1.00 0.00 H new ATOM 0 HB2 SER A 250 -8.524 -10.656 -11.156 1.00 0.00 H new ATOM 0 HB3 SER A 250 -8.086 -9.394 -10.022 1.00 0.00 H new ATOM 0 HG SER A 250 -6.882 -11.359 -9.657 1.00 0.00 H new ATOM 1107 N LYS A 251 -9.693 -9.474 -7.345 1.00 0.00 N ATOM 1108 CA LYS A 251 -9.840 -8.430 -6.295 1.00 0.00 C ATOM 1109 C LYS A 251 -8.465 -8.009 -5.760 1.00 0.00 C ATOM 1110 O LYS A 251 -8.250 -7.921 -4.568 1.00 0.00 O ATOM 1111 CB LYS A 251 -10.720 -9.072 -5.209 1.00 0.00 C ATOM 1112 CG LYS A 251 -9.861 -9.818 -4.186 1.00 0.00 C ATOM 1113 CD LYS A 251 -10.677 -10.950 -3.562 1.00 0.00 C ATOM 1114 CE LYS A 251 -9.766 -12.151 -3.299 1.00 0.00 C ATOM 1115 NZ LYS A 251 -10.295 -13.232 -4.176 1.00 0.00 N ATOM 0 H LYS A 251 -9.228 -10.333 -7.050 1.00 0.00 H new ATOM 0 HA LYS A 251 -10.298 -7.516 -6.673 1.00 0.00 H new ATOM 0 HB2 LYS A 251 -11.306 -8.302 -4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 251 -11.428 -9.762 -5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 251 -8.970 -10.221 -4.668 1.00 0.00 H new ATOM 0 HG3 LYS A 251 -9.521 -9.131 -3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 251 -11.132 -10.614 -2.630 1.00 0.00 H new ATOM 0 HD3 LYS A 251 -11.491 -11.236 -4.228 1.00 0.00 H new ATOM 0 HE2 LYS A 251 -8.728 -11.920 -3.539 1.00 0.00 H new ATOM 0 HE3 LYS A 251 -9.793 -12.445 -2.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 251 -9.722 -14.091 -4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 251 -11.282 -13.435 -3.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 251 -10.251 -12.926 -5.169 1.00 0.00 H new ATOM 1129 N CYS A 252 -7.547 -7.727 -6.651 1.00 0.00 N ATOM 1130 CA CYS A 252 -6.182 -7.280 -6.234 1.00 0.00 C ATOM 1131 C CYS A 252 -6.275 -6.444 -4.959 1.00 0.00 C ATOM 1132 O CYS A 252 -7.277 -5.804 -4.706 1.00 0.00 O ATOM 1133 CB CYS A 252 -5.704 -6.412 -7.395 1.00 0.00 C ATOM 1134 SG CYS A 252 -6.716 -4.914 -7.485 1.00 0.00 S ATOM 0 H CYS A 252 -7.687 -7.788 -7.660 1.00 0.00 H new ATOM 0 HA CYS A 252 -5.510 -8.112 -6.026 1.00 0.00 H new ATOM 0 HB2 CYS A 252 -4.655 -6.148 -7.258 1.00 0.00 H new ATOM 0 HB3 CYS A 252 -5.773 -6.967 -8.331 1.00 0.00 H new ATOM 0 HG CYS A 252 -7.486 -4.847 -6.440 1.00 0.00 H new ATOM 1140 N GLU A 253 -5.247 -6.415 -4.160 1.00 0.00 N ATOM 1141 CA GLU A 253 -5.330 -5.580 -2.925 1.00 0.00 C ATOM 1142 C GLU A 253 -4.883 -4.173 -3.257 1.00 0.00 C ATOM 1143 O GLU A 253 -4.404 -3.905 -4.341 1.00 0.00 O ATOM 1144 CB GLU A 253 -4.419 -6.196 -1.854 1.00 0.00 C ATOM 1145 CG GLU A 253 -3.248 -6.954 -2.485 1.00 0.00 C ATOM 1146 CD GLU A 253 -2.252 -7.356 -1.396 1.00 0.00 C ATOM 1147 OE1 GLU A 253 -2.693 -7.661 -0.300 1.00 0.00 O ATOM 1148 OE2 GLU A 253 -1.065 -7.354 -1.676 1.00 0.00 O ATOM 0 H GLU A 253 -4.371 -6.919 -4.300 1.00 0.00 H new ATOM 0 HA GLU A 253 -6.352 -5.547 -2.548 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -4.037 -5.410 -1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -4.998 -6.874 -1.228 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -3.613 -7.840 -3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -2.756 -6.329 -3.230 1.00 0.00 H new ATOM 1155 N ILE A 254 -5.059 -3.263 -2.353 1.00 0.00 N ATOM 1156 CA ILE A 254 -4.665 -1.866 -2.667 1.00 0.00 C ATOM 1157 C ILE A 254 -4.118 -1.126 -1.440 1.00 0.00 C ATOM 1158 O ILE A 254 -4.830 -0.817 -0.505 1.00 0.00 O ATOM 1159 CB ILE A 254 -5.954 -1.212 -3.188 1.00 0.00 C ATOM 1160 CG1 ILE A 254 -6.063 -1.445 -4.699 1.00 0.00 C ATOM 1161 CG2 ILE A 254 -5.939 0.293 -2.914 1.00 0.00 C ATOM 1162 CD1 ILE A 254 -6.710 -2.806 -4.965 1.00 0.00 C ATOM 0 H ILE A 254 -5.451 -3.417 -1.424 1.00 0.00 H new ATOM 0 HA ILE A 254 -3.855 -1.831 -3.395 1.00 0.00 H new ATOM 0 HB ILE A 254 -6.807 -1.657 -2.675 1.00 0.00 H new ATOM 0 HG12 ILE A 254 -6.656 -0.654 -5.157 1.00 0.00 H new ATOM 0 HG13 ILE A 254 -5.074 -1.406 -5.155 1.00 0.00 H new ATOM 0 HG21 ILE A 254 -6.859 0.740 -3.289 1.00 0.00 H new ATOM 0 HG22 ILE A 254 -5.863 0.467 -1.841 1.00 0.00 H new ATOM 0 HG23 ILE A 254 -5.084 0.746 -3.416 1.00 0.00 H new ATOM 0 HD11 ILE A 254 -6.786 -2.969 -6.040 1.00 0.00 H new ATOM 0 HD12 ILE A 254 -6.099 -3.592 -4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 254 -7.706 -2.828 -4.523 1.00 0.00 H new ATOM 1174 N LYS A 255 -2.859 -0.802 -1.485 1.00 0.00 N ATOM 1175 CA LYS A 255 -2.219 -0.030 -0.384 1.00 0.00 C ATOM 1176 C LYS A 255 -1.700 1.264 -1.000 1.00 0.00 C ATOM 1177 O LYS A 255 -0.756 1.243 -1.751 1.00 0.00 O ATOM 1178 CB LYS A 255 -1.052 -0.892 0.087 1.00 0.00 C ATOM 1179 CG LYS A 255 -1.307 -1.398 1.502 1.00 0.00 C ATOM 1180 CD LYS A 255 -0.541 -0.529 2.501 1.00 0.00 C ATOM 1181 CE LYS A 255 -1.485 0.515 3.104 1.00 0.00 C ATOM 1182 NZ LYS A 255 -1.357 0.343 4.578 1.00 0.00 N ATOM 0 H LYS A 255 -2.233 -1.044 -2.253 1.00 0.00 H new ATOM 0 HA LYS A 255 -2.889 0.203 0.444 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -0.918 -1.736 -0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -0.129 -0.313 0.061 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -2.374 -1.370 1.723 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -0.991 -2.437 1.590 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -0.119 -1.151 3.290 1.00 0.00 H new ATOM 0 HD3 LYS A 255 0.294 -0.035 2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -1.206 1.523 2.798 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -2.512 0.355 2.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -1.975 1.025 5.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -1.636 -0.624 4.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -0.370 0.508 4.862 1.00 0.00 H new ATOM 1196 N VAL A 256 -2.330 2.374 -0.741 1.00 0.00 N ATOM 1197 CA VAL A 256 -1.878 3.649 -1.378 1.00 0.00 C ATOM 1198 C VAL A 256 -0.350 3.745 -1.474 1.00 0.00 C ATOM 1199 O VAL A 256 0.381 2.973 -0.886 1.00 0.00 O ATOM 1200 CB VAL A 256 -2.365 4.759 -0.487 1.00 0.00 C ATOM 1201 CG1 VAL A 256 -2.141 6.091 -1.193 1.00 0.00 C ATOM 1202 CG2 VAL A 256 -3.849 4.577 -0.172 1.00 0.00 C ATOM 0 H VAL A 256 -3.135 2.458 -0.120 1.00 0.00 H new ATOM 0 HA VAL A 256 -2.271 3.705 -2.393 1.00 0.00 H new ATOM 0 HB VAL A 256 -1.812 4.740 0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 256 -2.491 6.904 -0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 256 -1.078 6.221 -1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 256 -2.694 6.103 -2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 256 -4.186 5.388 0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 256 -4.422 4.589 -1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 256 -3.999 3.624 0.335 1.00 0.00 H new ATOM 1212 N ALA A 257 0.133 4.714 -2.202 1.00 0.00 N ATOM 1213 CA ALA A 257 1.600 4.889 -2.345 1.00 0.00 C ATOM 1214 C ALA A 257 1.943 6.366 -2.563 1.00 0.00 C ATOM 1215 O ALA A 257 1.125 7.150 -3.010 1.00 0.00 O ATOM 1216 CB ALA A 257 1.973 4.063 -3.576 1.00 0.00 C ATOM 0 H ALA A 257 -0.433 5.396 -2.707 1.00 0.00 H new ATOM 0 HA ALA A 257 2.144 4.569 -1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 257 3.046 4.138 -3.753 1.00 0.00 H new ATOM 0 HB2 ALA A 257 1.705 3.020 -3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 257 1.434 4.441 -4.445 1.00 0.00 H new