USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 314 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 258 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 259 SER OG : rot 180:sc= -0.211 USER MOD Single : A 227 TYR OH : rot 165:sc= -0.295 USER MOD Single : A 228 THR OG1 : rot 180:sc= -0.384 USER MOD Single : A 234 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0326) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 241 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 242 HIS : no HD1:sc= -0.123 X(o=-0.12,f=0.02) USER MOD Single : A 244 ASN : amide:sc= 0.00349 X(o=0.0035,f=0) USER MOD Single : A 248 THR OG1 : rot 82:sc= 0.589 USER MOD Single : A 256 SER OG : rot 180:sc= 0 USER MOD Single : A 261 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 264 CYS SG : rot 120:sc= -2.16! USER MOD ----------------------------------------------------------------- ATOM 114 N TYR A 227 -1.818 -15.589 -0.210 1.00 0.00 N ATOM 115 CA TYR A 227 -2.698 -14.803 0.685 1.00 0.00 C ATOM 116 C TYR A 227 -2.900 -13.385 0.108 1.00 0.00 C ATOM 117 O TYR A 227 -2.197 -12.975 -0.828 1.00 0.00 O ATOM 118 CB TYR A 227 -2.075 -14.692 2.110 1.00 0.00 C ATOM 119 CG TYR A 227 -2.156 -15.952 2.992 1.00 0.00 C ATOM 120 CD1 TYR A 227 -1.660 -17.186 2.558 1.00 0.00 C ATOM 121 CD2 TYR A 227 -2.710 -15.890 4.276 1.00 0.00 C ATOM 122 CE1 TYR A 227 -1.732 -18.304 3.367 1.00 0.00 C ATOM 123 CE2 TYR A 227 -2.772 -17.007 5.087 1.00 0.00 C ATOM 124 CZ TYR A 227 -2.275 -18.208 4.629 1.00 0.00 C ATOM 125 OH TYR A 227 -2.329 -19.322 5.436 1.00 0.00 O ATOM 0 HA TYR A 227 -3.658 -15.314 0.756 1.00 0.00 H new ATOM 0 HB2 TYR A 227 -1.026 -14.416 2.004 1.00 0.00 H new ATOM 0 HB3 TYR A 227 -2.568 -13.874 2.636 1.00 0.00 H new ATOM 0 HD1 TYR A 227 -1.215 -17.266 1.577 1.00 0.00 H new ATOM 0 HD2 TYR A 227 -3.097 -14.950 4.640 1.00 0.00 H new ATOM 0 HE1 TYR A 227 -1.362 -19.254 3.009 1.00 0.00 H new ATOM 0 HE2 TYR A 227 -3.207 -16.939 6.073 1.00 0.00 H new ATOM 0 HH TYR A 227 -2.517 -19.049 6.358 1.00 0.00 H new ATOM 135 N THR A 228 -3.865 -12.647 0.681 1.00 0.00 N ATOM 136 CA THR A 228 -4.048 -11.205 0.437 1.00 0.00 C ATOM 137 C THR A 228 -3.672 -10.457 1.740 1.00 0.00 C ATOM 138 O THR A 228 -3.930 -10.991 2.824 1.00 0.00 O ATOM 139 CB THR A 228 -5.527 -10.866 0.014 1.00 0.00 C ATOM 140 OG1 THR A 228 -6.439 -11.099 1.101 1.00 0.00 O ATOM 141 CG2 THR A 228 -5.979 -11.697 -1.199 1.00 0.00 C ATOM 0 H THR A 228 -4.546 -13.037 1.332 1.00 0.00 H new ATOM 0 HA THR A 228 -3.409 -10.892 -0.388 1.00 0.00 H new ATOM 0 HB THR A 228 -5.539 -9.810 -0.257 1.00 0.00 H new ATOM 0 HG1 THR A 228 -7.351 -10.880 0.816 1.00 0.00 H new ATOM 0 HG21 THR A 228 -7.004 -11.433 -1.459 1.00 0.00 H new ATOM 0 HG22 THR A 228 -5.325 -11.490 -2.046 1.00 0.00 H new ATOM 0 HG23 THR A 228 -5.928 -12.758 -0.953 1.00 0.00 H new ATOM 149 N PRO A 229 -3.064 -9.223 1.675 1.00 0.00 N ATOM 150 CA PRO A 229 -2.650 -8.446 2.891 1.00 0.00 C ATOM 151 C PRO A 229 -3.813 -8.181 3.884 1.00 0.00 C ATOM 152 O PRO A 229 -3.570 -7.944 5.070 1.00 0.00 O ATOM 153 CB PRO A 229 -2.082 -7.120 2.301 1.00 0.00 C ATOM 154 CG PRO A 229 -2.631 -7.057 0.905 1.00 0.00 C ATOM 155 CD PRO A 229 -2.711 -8.485 0.433 1.00 0.00 C ATOM 0 HA PRO A 229 -1.927 -8.998 3.492 1.00 0.00 H new ATOM 0 HB2 PRO A 229 -2.397 -6.258 2.889 1.00 0.00 H new ATOM 0 HB3 PRO A 229 -0.992 -7.123 2.298 1.00 0.00 H new ATOM 0 HG2 PRO A 229 -3.613 -6.585 0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 229 -1.984 -6.466 0.256 1.00 0.00 H new ATOM 0 HD2 PRO A 229 -3.466 -8.613 -0.342 1.00 0.00 H new ATOM 0 HD3 PRO A 229 -1.764 -8.826 0.015 1.00 0.00 H new ATOM 163 N GLU A 230 -5.061 -8.237 3.376 1.00 0.00 N ATOM 164 CA GLU A 230 -6.275 -8.102 4.203 1.00 0.00 C ATOM 165 C GLU A 230 -6.451 -9.308 5.151 1.00 0.00 C ATOM 166 O GLU A 230 -6.843 -9.134 6.304 1.00 0.00 O ATOM 167 CB GLU A 230 -7.516 -7.937 3.294 1.00 0.00 C ATOM 168 CG GLU A 230 -7.507 -6.642 2.449 1.00 0.00 C ATOM 169 CD GLU A 230 -8.769 -6.463 1.592 1.00 0.00 C ATOM 170 OE1 GLU A 230 -9.822 -6.066 2.135 1.00 0.00 O ATOM 171 OE2 GLU A 230 -8.717 -6.711 0.370 1.00 0.00 O ATOM 0 H GLU A 230 -5.254 -8.377 2.384 1.00 0.00 H new ATOM 0 HA GLU A 230 -6.167 -7.212 4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 230 -7.581 -8.795 2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 230 -8.412 -7.948 3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 230 -7.404 -5.784 3.114 1.00 0.00 H new ATOM 0 HG3 GLU A 230 -6.633 -6.648 1.798 1.00 0.00 H new ATOM 178 N GLU A 231 -6.148 -10.521 4.645 1.00 0.00 N ATOM 179 CA GLU A 231 -6.203 -11.774 5.439 1.00 0.00 C ATOM 180 C GLU A 231 -5.112 -11.796 6.527 1.00 0.00 C ATOM 181 O GLU A 231 -5.301 -12.410 7.576 1.00 0.00 O ATOM 182 CB GLU A 231 -6.084 -13.014 4.515 1.00 0.00 C ATOM 183 CG GLU A 231 -7.253 -13.157 3.522 1.00 0.00 C ATOM 184 CD GLU A 231 -7.083 -14.315 2.523 1.00 0.00 C ATOM 185 OE1 GLU A 231 -6.326 -14.153 1.543 1.00 0.00 O ATOM 186 OE2 GLU A 231 -7.715 -15.380 2.695 1.00 0.00 O ATOM 0 H GLU A 231 -5.859 -10.664 3.677 1.00 0.00 H new ATOM 0 HA GLU A 231 -7.171 -11.810 5.939 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -5.150 -12.953 3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -6.029 -13.912 5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -8.176 -13.305 4.082 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -7.362 -12.225 2.968 1.00 0.00 H new ATOM 193 N ILE A 232 -3.970 -11.116 6.260 1.00 0.00 N ATOM 194 CA ILE A 232 -2.898 -10.936 7.260 1.00 0.00 C ATOM 195 C ILE A 232 -3.391 -10.005 8.388 1.00 0.00 C ATOM 196 O ILE A 232 -3.290 -10.351 9.564 1.00 0.00 O ATOM 197 CB ILE A 232 -1.531 -10.399 6.636 1.00 0.00 C ATOM 198 CG1 ILE A 232 -0.779 -11.519 5.825 1.00 0.00 C ATOM 199 CG2 ILE A 232 -0.574 -9.827 7.723 1.00 0.00 C ATOM 200 CD1 ILE A 232 -1.470 -12.002 4.564 1.00 0.00 C ATOM 0 H ILE A 232 -3.771 -10.684 5.358 1.00 0.00 H new ATOM 0 HA ILE A 232 -2.671 -11.922 7.666 1.00 0.00 H new ATOM 0 HB ILE A 232 -1.810 -9.593 5.957 1.00 0.00 H new ATOM 0 HG12 ILE A 232 0.208 -11.144 5.554 1.00 0.00 H new ATOM 0 HG13 ILE A 232 -0.625 -12.375 6.482 1.00 0.00 H new ATOM 0 HG21 ILE A 232 0.343 -9.474 7.251 1.00 0.00 H new ATOM 0 HG22 ILE A 232 -1.061 -8.998 8.236 1.00 0.00 H new ATOM 0 HG23 ILE A 232 -0.333 -10.609 8.444 1.00 0.00 H new ATOM 0 HD11 ILE A 232 -0.862 -12.772 4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 232 -2.445 -12.416 4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 232 -1.599 -11.166 3.877 1.00 0.00 H new ATOM 212 N GLU A 233 -3.954 -8.839 8.014 1.00 0.00 N ATOM 213 CA GLU A 233 -4.490 -7.870 8.995 1.00 0.00 C ATOM 214 C GLU A 233 -5.685 -8.472 9.769 1.00 0.00 C ATOM 215 O GLU A 233 -5.904 -8.142 10.935 1.00 0.00 O ATOM 216 CB GLU A 233 -4.908 -6.547 8.299 1.00 0.00 C ATOM 217 CG GLU A 233 -5.300 -5.409 9.277 1.00 0.00 C ATOM 218 CD GLU A 233 -5.703 -4.102 8.572 1.00 0.00 C ATOM 219 OE1 GLU A 233 -4.805 -3.395 8.066 1.00 0.00 O ATOM 220 OE2 GLU A 233 -6.913 -3.779 8.518 1.00 0.00 O ATOM 0 H GLU A 233 -4.050 -8.544 7.042 1.00 0.00 H new ATOM 0 HA GLU A 233 -3.696 -7.646 9.708 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -4.085 -6.204 7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -5.751 -6.748 7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -6.128 -5.746 9.900 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -4.461 -5.209 9.943 1.00 0.00 H new ATOM 227 N LYS A 234 -6.421 -9.385 9.106 1.00 0.00 N ATOM 228 CA LYS A 234 -7.594 -10.054 9.688 1.00 0.00 C ATOM 229 C LYS A 234 -7.157 -11.168 10.654 1.00 0.00 C ATOM 230 O LYS A 234 -7.847 -11.432 11.628 1.00 0.00 O ATOM 231 CB LYS A 234 -8.514 -10.620 8.572 1.00 0.00 C ATOM 232 CG LYS A 234 -9.898 -11.128 9.059 1.00 0.00 C ATOM 233 CD LYS A 234 -10.768 -10.003 9.692 1.00 0.00 C ATOM 234 CE LYS A 234 -11.122 -8.867 8.710 1.00 0.00 C ATOM 235 NZ LYS A 234 -11.898 -9.360 7.550 1.00 0.00 N ATOM 0 H LYS A 234 -6.216 -9.678 8.151 1.00 0.00 H new ATOM 0 HA LYS A 234 -8.164 -9.317 10.254 1.00 0.00 H new ATOM 0 HB2 LYS A 234 -8.671 -9.844 7.823 1.00 0.00 H new ATOM 0 HB3 LYS A 234 -7.996 -11.441 8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 234 -10.435 -11.566 8.218 1.00 0.00 H new ATOM 0 HG3 LYS A 234 -9.751 -11.922 9.791 1.00 0.00 H new ATOM 0 HD2 LYS A 234 -11.690 -10.441 10.075 1.00 0.00 H new ATOM 0 HD3 LYS A 234 -10.237 -9.581 10.545 1.00 0.00 H new ATOM 0 HE2 LYS A 234 -11.697 -8.102 9.232 1.00 0.00 H new ATOM 0 HE3 LYS A 234 -10.206 -8.393 8.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 234 -12.173 -8.557 6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 234 -11.315 -10.021 6.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 234 -12.752 -9.850 7.886 1.00 0.00 H new ATOM 249 N LEU A 235 -6.008 -11.822 10.382 1.00 0.00 N ATOM 250 CA LEU A 235 -5.462 -12.858 11.297 1.00 0.00 C ATOM 251 C LEU A 235 -4.932 -12.174 12.573 1.00 0.00 C ATOM 252 O LEU A 235 -5.015 -12.726 13.669 1.00 0.00 O ATOM 253 CB LEU A 235 -4.392 -13.775 10.580 1.00 0.00 C ATOM 254 CG LEU A 235 -2.876 -13.349 10.573 1.00 0.00 C ATOM 255 CD1 LEU A 235 -2.147 -13.770 11.866 1.00 0.00 C ATOM 256 CD2 LEU A 235 -2.131 -13.911 9.339 1.00 0.00 C ATOM 0 H LEU A 235 -5.444 -11.657 9.549 1.00 0.00 H new ATOM 0 HA LEU A 235 -6.258 -13.542 11.591 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -4.450 -14.762 11.038 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -4.703 -13.887 9.541 1.00 0.00 H new ATOM 0 HG LEU A 235 -2.866 -12.260 10.519 1.00 0.00 H new ATOM 0 HD11 LEU A 235 -1.105 -13.455 11.815 1.00 0.00 H new ATOM 0 HD12 LEU A 235 -2.627 -13.299 12.724 1.00 0.00 H new ATOM 0 HD13 LEU A 235 -2.194 -14.854 11.974 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.088 -13.596 9.369 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -2.182 -15.000 9.348 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -2.598 -13.534 8.429 1.00 0.00 H new ATOM 268 N LYS A 236 -4.388 -10.957 12.393 1.00 0.00 N ATOM 269 CA LYS A 236 -3.916 -10.086 13.485 1.00 0.00 C ATOM 270 C LYS A 236 -5.103 -9.531 14.300 1.00 0.00 C ATOM 271 O LYS A 236 -5.014 -9.394 15.519 1.00 0.00 O ATOM 272 CB LYS A 236 -3.075 -8.933 12.872 1.00 0.00 C ATOM 273 CG LYS A 236 -1.710 -9.390 12.276 1.00 0.00 C ATOM 274 CD LYS A 236 -1.160 -8.427 11.189 1.00 0.00 C ATOM 275 CE LYS A 236 -1.108 -6.962 11.647 1.00 0.00 C ATOM 276 NZ LYS A 236 -0.606 -6.057 10.581 1.00 0.00 N ATOM 0 H LYS A 236 -4.262 -10.544 11.469 1.00 0.00 H new ATOM 0 HA LYS A 236 -3.297 -10.664 14.171 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -3.658 -8.449 12.088 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -2.891 -8.183 13.641 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -0.980 -9.473 13.081 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -1.824 -10.385 11.846 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -0.158 -8.747 10.903 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -1.784 -8.500 10.299 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -2.105 -6.643 11.952 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -0.465 -6.880 12.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -0.588 -5.079 10.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 0.355 -6.343 10.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -1.233 -6.114 9.753 1.00 0.00 H new ATOM 290 N GLU A 237 -6.217 -9.224 13.606 1.00 0.00 N ATOM 291 CA GLU A 237 -7.464 -8.743 14.247 1.00 0.00 C ATOM 292 C GLU A 237 -8.096 -9.872 15.080 1.00 0.00 C ATOM 293 O GLU A 237 -8.516 -9.670 16.220 1.00 0.00 O ATOM 294 CB GLU A 237 -8.460 -8.241 13.168 1.00 0.00 C ATOM 295 CG GLU A 237 -9.781 -7.654 13.715 1.00 0.00 C ATOM 296 CD GLU A 237 -10.727 -7.175 12.597 1.00 0.00 C ATOM 297 OE1 GLU A 237 -10.476 -6.088 12.024 1.00 0.00 O ATOM 298 OE2 GLU A 237 -11.724 -7.870 12.295 1.00 0.00 O ATOM 0 H GLU A 237 -6.281 -9.301 12.591 1.00 0.00 H new ATOM 0 HA GLU A 237 -7.225 -7.912 14.910 1.00 0.00 H new ATOM 0 HB2 GLU A 237 -7.965 -7.480 12.565 1.00 0.00 H new ATOM 0 HB3 GLU A 237 -8.698 -9.070 12.502 1.00 0.00 H new ATOM 0 HG2 GLU A 237 -10.288 -8.409 14.316 1.00 0.00 H new ATOM 0 HG3 GLU A 237 -9.556 -6.818 14.377 1.00 0.00 H new ATOM 305 N LEU A 238 -8.125 -11.063 14.473 1.00 0.00 N ATOM 306 CA LEU A 238 -8.604 -12.306 15.100 1.00 0.00 C ATOM 307 C LEU A 238 -7.667 -12.748 16.238 1.00 0.00 C ATOM 308 O LEU A 238 -8.090 -13.457 17.135 1.00 0.00 O ATOM 309 CB LEU A 238 -8.782 -13.426 14.027 1.00 0.00 C ATOM 310 CG LEU A 238 -10.190 -13.521 13.334 1.00 0.00 C ATOM 311 CD1 LEU A 238 -10.713 -12.142 12.863 1.00 0.00 C ATOM 312 CD2 LEU A 238 -10.155 -14.520 12.152 1.00 0.00 C ATOM 0 H LEU A 238 -7.810 -11.196 13.512 1.00 0.00 H new ATOM 0 HA LEU A 238 -9.581 -12.115 15.545 1.00 0.00 H new ATOM 0 HB2 LEU A 238 -8.030 -13.277 13.252 1.00 0.00 H new ATOM 0 HB3 LEU A 238 -8.569 -14.386 14.498 1.00 0.00 H new ATOM 0 HG LEU A 238 -10.887 -13.888 14.087 1.00 0.00 H new ATOM 0 HD11 LEU A 238 -11.688 -12.264 12.392 1.00 0.00 H new ATOM 0 HD12 LEU A 238 -10.806 -11.476 13.721 1.00 0.00 H new ATOM 0 HD13 LEU A 238 -10.014 -11.714 12.145 1.00 0.00 H new ATOM 0 HD21 LEU A 238 -11.140 -14.569 11.688 1.00 0.00 H new ATOM 0 HD22 LEU A 238 -9.423 -14.187 11.416 1.00 0.00 H new ATOM 0 HD23 LEU A 238 -9.877 -15.508 12.519 1.00 0.00 H new ATOM 324 N ARG A 239 -6.385 -12.366 16.161 1.00 0.00 N ATOM 325 CA ARG A 239 -5.425 -12.568 17.268 1.00 0.00 C ATOM 326 C ARG A 239 -5.839 -11.711 18.476 1.00 0.00 C ATOM 327 O ARG A 239 -5.881 -12.190 19.602 1.00 0.00 O ATOM 328 CB ARG A 239 -3.974 -12.229 16.825 1.00 0.00 C ATOM 329 CG ARG A 239 -2.887 -12.494 17.890 1.00 0.00 C ATOM 330 CD ARG A 239 -1.486 -12.049 17.438 1.00 0.00 C ATOM 331 NE ARG A 239 -0.449 -12.368 18.438 1.00 0.00 N ATOM 332 CZ ARG A 239 0.842 -11.999 18.353 1.00 0.00 C ATOM 333 NH1 ARG A 239 1.282 -11.281 17.339 1.00 0.00 N ATOM 334 NH2 ARG A 239 1.695 -12.356 19.292 1.00 0.00 N ATOM 0 H ARG A 239 -5.982 -11.912 15.341 1.00 0.00 H new ATOM 0 HA ARG A 239 -5.442 -13.620 17.554 1.00 0.00 H new ATOM 0 HB2 ARG A 239 -3.737 -12.810 15.934 1.00 0.00 H new ATOM 0 HB3 ARG A 239 -3.933 -11.178 16.540 1.00 0.00 H new ATOM 0 HG2 ARG A 239 -3.150 -11.970 18.809 1.00 0.00 H new ATOM 0 HG3 ARG A 239 -2.867 -13.558 18.124 1.00 0.00 H new ATOM 0 HD2 ARG A 239 -1.239 -12.535 16.494 1.00 0.00 H new ATOM 0 HD3 ARG A 239 -1.490 -10.975 17.252 1.00 0.00 H new ATOM 0 HE ARG A 239 -0.732 -12.909 19.255 1.00 0.00 H new ATOM 0 HH11 ARG A 239 0.640 -10.995 16.600 1.00 0.00 H new ATOM 0 HH12 ARG A 239 2.265 -11.012 17.293 1.00 0.00 H new ATOM 0 HH21 ARG A 239 1.377 -12.913 20.085 1.00 0.00 H new ATOM 0 HH22 ARG A 239 2.673 -12.075 19.226 1.00 0.00 H new ATOM 348 N ILE A 240 -6.187 -10.447 18.208 1.00 0.00 N ATOM 349 CA ILE A 240 -6.627 -9.493 19.245 1.00 0.00 C ATOM 350 C ILE A 240 -7.979 -9.933 19.879 1.00 0.00 C ATOM 351 O ILE A 240 -8.218 -9.698 21.070 1.00 0.00 O ATOM 352 CB ILE A 240 -6.708 -8.030 18.647 1.00 0.00 C ATOM 353 CG1 ILE A 240 -5.288 -7.575 18.149 1.00 0.00 C ATOM 354 CG2 ILE A 240 -7.284 -7.013 19.664 1.00 0.00 C ATOM 355 CD1 ILE A 240 -5.241 -6.225 17.450 1.00 0.00 C ATOM 0 H ILE A 240 -6.173 -10.052 17.268 1.00 0.00 H new ATOM 0 HA ILE A 240 -5.888 -9.488 20.046 1.00 0.00 H new ATOM 0 HB ILE A 240 -7.395 -8.055 17.801 1.00 0.00 H new ATOM 0 HG12 ILE A 240 -4.614 -7.545 19.005 1.00 0.00 H new ATOM 0 HG13 ILE A 240 -4.902 -8.332 17.466 1.00 0.00 H new ATOM 0 HG21 ILE A 240 -7.320 -6.023 19.208 1.00 0.00 H new ATOM 0 HG22 ILE A 240 -8.290 -7.317 19.952 1.00 0.00 H new ATOM 0 HG23 ILE A 240 -6.647 -6.982 20.548 1.00 0.00 H new ATOM 0 HD11 ILE A 240 -4.217 -6.007 17.147 1.00 0.00 H new ATOM 0 HD12 ILE A 240 -5.882 -6.249 16.569 1.00 0.00 H new ATOM 0 HD13 ILE A 240 -5.590 -5.450 18.132 1.00 0.00 H new ATOM 367 N LYS A 241 -8.837 -10.609 19.089 1.00 0.00 N ATOM 368 CA LYS A 241 -10.159 -11.084 19.572 1.00 0.00 C ATOM 369 C LYS A 241 -10.062 -12.457 20.270 1.00 0.00 C ATOM 370 O LYS A 241 -10.719 -12.690 21.286 1.00 0.00 O ATOM 371 CB LYS A 241 -11.188 -11.142 18.404 1.00 0.00 C ATOM 372 CG LYS A 241 -11.431 -9.785 17.700 1.00 0.00 C ATOM 373 CD LYS A 241 -11.787 -8.663 18.703 1.00 0.00 C ATOM 374 CE LYS A 241 -11.982 -7.297 18.034 1.00 0.00 C ATOM 375 NZ LYS A 241 -12.166 -6.211 19.034 1.00 0.00 N ATOM 0 H LYS A 241 -8.643 -10.840 18.115 1.00 0.00 H new ATOM 0 HA LYS A 241 -10.506 -10.363 20.312 1.00 0.00 H new ATOM 0 HB2 LYS A 241 -10.841 -11.864 17.665 1.00 0.00 H new ATOM 0 HB3 LYS A 241 -12.138 -11.513 18.790 1.00 0.00 H new ATOM 0 HG2 LYS A 241 -10.538 -9.502 17.142 1.00 0.00 H new ATOM 0 HG3 LYS A 241 -12.239 -9.893 16.976 1.00 0.00 H new ATOM 0 HD2 LYS A 241 -12.700 -8.934 19.234 1.00 0.00 H new ATOM 0 HD3 LYS A 241 -10.996 -8.586 19.449 1.00 0.00 H new ATOM 0 HE2 LYS A 241 -11.118 -7.072 17.409 1.00 0.00 H new ATOM 0 HE3 LYS A 241 -12.850 -7.336 17.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 241 -12.295 -5.304 18.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 241 -13.005 -6.412 19.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 241 -11.327 -6.157 19.646 1.00 0.00 H new ATOM 389 N HIS A 242 -9.222 -13.357 19.732 1.00 0.00 N ATOM 390 CA HIS A 242 -9.140 -14.776 20.179 1.00 0.00 C ATOM 391 C HIS A 242 -7.840 -15.035 20.972 1.00 0.00 C ATOM 392 O HIS A 242 -7.442 -16.193 21.148 1.00 0.00 O ATOM 393 CB HIS A 242 -9.256 -15.741 18.953 1.00 0.00 C ATOM 394 CG HIS A 242 -10.545 -15.601 18.173 1.00 0.00 C ATOM 395 ND1 HIS A 242 -11.655 -16.377 18.404 1.00 0.00 N ATOM 396 CD2 HIS A 242 -10.900 -14.748 17.177 1.00 0.00 C ATOM 397 CE1 HIS A 242 -12.623 -16.020 17.583 1.00 0.00 C ATOM 398 NE2 HIS A 242 -12.188 -15.032 16.832 1.00 0.00 N ATOM 0 H HIS A 242 -8.577 -13.131 18.975 1.00 0.00 H new ATOM 0 HA HIS A 242 -9.977 -14.973 20.849 1.00 0.00 H new ATOM 0 HB2 HIS A 242 -8.417 -15.560 18.282 1.00 0.00 H new ATOM 0 HB3 HIS A 242 -9.167 -16.769 19.304 1.00 0.00 H new ATOM 0 HD2 HIS A 242 -10.275 -13.984 16.738 1.00 0.00 H new ATOM 0 HE1 HIS A 242 -13.606 -16.464 17.535 1.00 0.00 H new ATOM 0 HE2 HIS A 242 -12.727 -14.556 16.109 1.00 0.00 H new ATOM 407 N GLY A 243 -7.202 -13.953 21.475 1.00 0.00 N ATOM 408 CA GLY A 243 -5.978 -14.048 22.284 1.00 0.00 C ATOM 409 C GLY A 243 -4.747 -14.402 21.448 1.00 0.00 C ATOM 410 O GLY A 243 -3.928 -13.531 21.128 1.00 0.00 O ATOM 0 H GLY A 243 -7.524 -12.996 21.329 1.00 0.00 H new ATOM 0 HA2 GLY A 243 -5.807 -13.098 22.791 1.00 0.00 H new ATOM 0 HA3 GLY A 243 -6.116 -14.803 23.058 1.00 0.00 H new ATOM 414 N ASN A 244 -4.633 -15.692 21.109 1.00 0.00 N ATOM 415 CA ASN A 244 -3.597 -16.223 20.203 1.00 0.00 C ATOM 416 C ASN A 244 -3.975 -17.647 19.749 1.00 0.00 C ATOM 417 O ASN A 244 -3.105 -18.415 19.327 1.00 0.00 O ATOM 418 CB ASN A 244 -2.198 -16.212 20.889 1.00 0.00 C ATOM 419 CG ASN A 244 -2.127 -17.066 22.161 1.00 0.00 C ATOM 420 OD1 ASN A 244 -2.399 -16.592 23.262 1.00 0.00 O ATOM 421 ND2 ASN A 244 -1.771 -18.333 22.017 1.00 0.00 N ATOM 0 H ASN A 244 -5.266 -16.411 21.460 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.540 -15.580 19.325 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -1.453 -16.571 20.179 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -1.933 -15.184 21.137 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -1.717 -18.943 22.832 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -1.551 -18.699 21.091 1.00 0.00 H new ATOM 428 N ASP A 245 -5.281 -17.994 19.831 1.00 0.00 N ATOM 429 CA ASP A 245 -5.784 -19.321 19.432 1.00 0.00 C ATOM 430 C ASP A 245 -5.818 -19.405 17.896 1.00 0.00 C ATOM 431 O ASP A 245 -6.837 -19.087 17.259 1.00 0.00 O ATOM 432 CB ASP A 245 -7.183 -19.607 20.048 1.00 0.00 C ATOM 433 CG ASP A 245 -7.665 -21.054 19.788 1.00 0.00 C ATOM 434 OD1 ASP A 245 -7.338 -21.952 20.592 1.00 0.00 O ATOM 435 OD2 ASP A 245 -8.348 -21.299 18.771 1.00 0.00 O ATOM 0 H ASP A 245 -6.007 -17.365 20.173 1.00 0.00 H new ATOM 0 HA ASP A 245 -5.111 -20.088 19.816 1.00 0.00 H new ATOM 0 HB2 ASP A 245 -7.146 -19.428 21.123 1.00 0.00 H new ATOM 0 HB3 ASP A 245 -7.908 -18.907 19.633 1.00 0.00 H new ATOM 440 N TRP A 246 -4.668 -19.807 17.320 1.00 0.00 N ATOM 441 CA TRP A 246 -4.442 -19.852 15.860 1.00 0.00 C ATOM 442 C TRP A 246 -5.390 -20.839 15.160 1.00 0.00 C ATOM 443 O TRP A 246 -5.623 -20.715 13.956 1.00 0.00 O ATOM 444 CB TRP A 246 -2.968 -20.219 15.546 1.00 0.00 C ATOM 445 CG TRP A 246 -1.969 -19.349 16.276 1.00 0.00 C ATOM 446 CD1 TRP A 246 -1.162 -19.717 17.320 1.00 0.00 C ATOM 447 CD2 TRP A 246 -1.693 -17.955 16.036 1.00 0.00 C ATOM 448 NE1 TRP A 246 -0.410 -18.648 17.732 1.00 0.00 N ATOM 449 CE2 TRP A 246 -0.711 -17.562 16.962 1.00 0.00 C ATOM 450 CE3 TRP A 246 -2.173 -17.010 15.118 1.00 0.00 C ATOM 451 CZ2 TRP A 246 -0.206 -16.270 17.004 1.00 0.00 C ATOM 452 CZ3 TRP A 246 -1.674 -15.724 15.169 1.00 0.00 C ATOM 453 CH2 TRP A 246 -0.697 -15.367 16.104 1.00 0.00 C ATOM 0 H TRP A 246 -3.860 -20.113 17.861 1.00 0.00 H new ATOM 0 HA TRP A 246 -4.654 -18.856 15.472 1.00 0.00 H new ATOM 0 HB2 TRP A 246 -2.795 -21.262 15.813 1.00 0.00 H new ATOM 0 HB3 TRP A 246 -2.799 -20.132 14.473 1.00 0.00 H new ATOM 0 HD1 TRP A 246 -1.124 -20.705 17.755 1.00 0.00 H new ATOM 0 HE1 TRP A 246 0.268 -18.662 18.494 1.00 0.00 H new ATOM 0 HE3 TRP A 246 -2.918 -17.283 14.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 246 0.549 -15.988 17.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 246 -2.044 -14.982 14.476 1.00 0.00 H new ATOM 0 HH2 TRP A 246 -0.322 -14.354 16.115 1.00 0.00 H new ATOM 464 N ALA A 247 -5.917 -21.810 15.929 1.00 0.00 N ATOM 465 CA ALA A 247 -6.857 -22.822 15.423 1.00 0.00 C ATOM 466 C ALA A 247 -8.148 -22.176 14.901 1.00 0.00 C ATOM 467 O ALA A 247 -8.560 -22.433 13.767 1.00 0.00 O ATOM 468 CB ALA A 247 -7.156 -23.845 16.531 1.00 0.00 C ATOM 0 H ALA A 247 -5.701 -21.913 16.921 1.00 0.00 H new ATOM 0 HA ALA A 247 -6.396 -23.338 14.580 1.00 0.00 H new ATOM 0 HB1 ALA A 247 -7.853 -24.595 16.156 1.00 0.00 H new ATOM 0 HB2 ALA A 247 -6.230 -24.331 16.837 1.00 0.00 H new ATOM 0 HB3 ALA A 247 -7.598 -23.335 17.387 1.00 0.00 H new ATOM 474 N THR A 248 -8.737 -21.296 15.725 1.00 0.00 N ATOM 475 CA THR A 248 -9.989 -20.591 15.382 1.00 0.00 C ATOM 476 C THR A 248 -9.722 -19.447 14.385 1.00 0.00 C ATOM 477 O THR A 248 -10.560 -19.168 13.523 1.00 0.00 O ATOM 478 CB THR A 248 -10.706 -20.041 16.662 1.00 0.00 C ATOM 479 OG1 THR A 248 -11.000 -21.129 17.554 1.00 0.00 O ATOM 480 CG2 THR A 248 -12.014 -19.294 16.334 1.00 0.00 C ATOM 0 H THR A 248 -8.365 -21.052 16.643 1.00 0.00 H new ATOM 0 HA THR A 248 -10.652 -21.316 14.909 1.00 0.00 H new ATOM 0 HB THR A 248 -10.026 -19.329 17.129 1.00 0.00 H new ATOM 0 HG1 THR A 248 -10.200 -21.350 18.076 1.00 0.00 H new ATOM 0 HG21 THR A 248 -12.469 -18.934 17.257 1.00 0.00 H new ATOM 0 HG22 THR A 248 -11.796 -18.447 15.683 1.00 0.00 H new ATOM 0 HG23 THR A 248 -12.703 -19.971 15.830 1.00 0.00 H new ATOM 488 N ILE A 249 -8.550 -18.791 14.521 1.00 0.00 N ATOM 489 CA ILE A 249 -8.113 -17.721 13.597 1.00 0.00 C ATOM 490 C ILE A 249 -8.059 -18.261 12.141 1.00 0.00 C ATOM 491 O ILE A 249 -8.757 -17.755 11.251 1.00 0.00 O ATOM 492 CB ILE A 249 -6.712 -17.139 14.040 1.00 0.00 C ATOM 493 CG1 ILE A 249 -6.831 -16.454 15.446 1.00 0.00 C ATOM 494 CG2 ILE A 249 -6.117 -16.160 12.991 1.00 0.00 C ATOM 495 CD1 ILE A 249 -5.515 -16.016 16.059 1.00 0.00 C ATOM 0 H ILE A 249 -7.884 -18.986 15.269 1.00 0.00 H new ATOM 0 HA ILE A 249 -8.838 -16.908 13.634 1.00 0.00 H new ATOM 0 HB ILE A 249 -6.018 -17.976 14.111 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -7.480 -15.583 15.355 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -7.321 -17.147 16.131 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -5.155 -15.789 13.344 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -5.979 -16.681 12.044 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -6.799 -15.322 12.848 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -5.701 -15.554 17.029 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -4.867 -16.883 16.188 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -5.029 -15.295 15.401 1.00 0.00 H new ATOM 507 N GLY A 250 -7.252 -19.323 11.951 1.00 0.00 N ATOM 508 CA GLY A 250 -7.088 -19.986 10.656 1.00 0.00 C ATOM 509 C GLY A 250 -8.399 -20.583 10.139 1.00 0.00 C ATOM 510 O GLY A 250 -8.695 -20.479 8.952 1.00 0.00 O ATOM 0 H GLY A 250 -6.697 -19.741 12.698 1.00 0.00 H new ATOM 0 HA2 GLY A 250 -6.706 -19.269 9.929 1.00 0.00 H new ATOM 0 HA3 GLY A 250 -6.342 -20.776 10.747 1.00 0.00 H new ATOM 514 N ALA A 251 -9.195 -21.179 11.056 1.00 0.00 N ATOM 515 CA ALA A 251 -10.498 -21.807 10.718 1.00 0.00 C ATOM 516 C ALA A 251 -11.508 -20.780 10.173 1.00 0.00 C ATOM 517 O ALA A 251 -12.252 -21.075 9.236 1.00 0.00 O ATOM 518 CB ALA A 251 -11.079 -22.537 11.936 1.00 0.00 C ATOM 0 H ALA A 251 -8.956 -21.239 12.046 1.00 0.00 H new ATOM 0 HA ALA A 251 -10.312 -22.534 9.927 1.00 0.00 H new ATOM 0 HB1 ALA A 251 -12.033 -22.990 11.668 1.00 0.00 H new ATOM 0 HB2 ALA A 251 -10.386 -23.314 12.259 1.00 0.00 H new ATOM 0 HB3 ALA A 251 -11.231 -21.826 12.748 1.00 0.00 H new ATOM 524 N ALA A 252 -11.497 -19.574 10.760 1.00 0.00 N ATOM 525 CA ALA A 252 -12.405 -18.474 10.384 1.00 0.00 C ATOM 526 C ALA A 252 -11.988 -17.859 9.037 1.00 0.00 C ATOM 527 O ALA A 252 -12.835 -17.404 8.266 1.00 0.00 O ATOM 528 CB ALA A 252 -12.428 -17.415 11.488 1.00 0.00 C ATOM 0 H ALA A 252 -10.855 -19.330 11.514 1.00 0.00 H new ATOM 0 HA ALA A 252 -13.412 -18.874 10.267 1.00 0.00 H new ATOM 0 HB1 ALA A 252 -13.101 -16.606 11.202 1.00 0.00 H new ATOM 0 HB2 ALA A 252 -12.776 -17.866 12.417 1.00 0.00 H new ATOM 0 HB3 ALA A 252 -11.423 -17.017 11.632 1.00 0.00 H new ATOM 534 N LEU A 253 -10.669 -17.840 8.778 1.00 0.00 N ATOM 535 CA LEU A 253 -10.109 -17.392 7.485 1.00 0.00 C ATOM 536 C LEU A 253 -10.256 -18.476 6.397 1.00 0.00 C ATOM 537 O LEU A 253 -10.197 -18.172 5.204 1.00 0.00 O ATOM 538 CB LEU A 253 -8.612 -17.040 7.653 1.00 0.00 C ATOM 539 CG LEU A 253 -8.295 -15.901 8.664 1.00 0.00 C ATOM 540 CD1 LEU A 253 -6.796 -15.861 9.000 1.00 0.00 C ATOM 541 CD2 LEU A 253 -8.778 -14.531 8.141 1.00 0.00 C ATOM 0 H LEU A 253 -9.962 -18.132 9.453 1.00 0.00 H new ATOM 0 HA LEU A 253 -10.668 -16.511 7.170 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -8.080 -17.938 7.967 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -8.213 -16.757 6.679 1.00 0.00 H new ATOM 0 HG LEU A 253 -8.842 -16.117 9.582 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -6.603 -15.055 9.709 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -6.497 -16.812 9.441 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -6.223 -15.687 8.089 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -8.541 -13.758 8.872 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -8.279 -14.305 7.199 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -9.856 -14.562 7.982 1.00 0.00 H new ATOM 553 N GLY A 254 -10.419 -19.745 6.831 1.00 0.00 N ATOM 554 CA GLY A 254 -10.379 -20.905 5.921 1.00 0.00 C ATOM 555 C GLY A 254 -8.953 -21.253 5.481 1.00 0.00 C ATOM 556 O GLY A 254 -8.752 -22.011 4.524 1.00 0.00 O ATOM 0 H GLY A 254 -10.580 -19.990 7.808 1.00 0.00 H new ATOM 0 HA2 GLY A 254 -10.824 -21.768 6.417 1.00 0.00 H new ATOM 0 HA3 GLY A 254 -10.987 -20.694 5.041 1.00 0.00 H new ATOM 560 N ARG A 255 -7.972 -20.673 6.190 1.00 0.00 N ATOM 561 CA ARG A 255 -6.538 -20.846 5.936 1.00 0.00 C ATOM 562 C ARG A 255 -5.935 -21.843 6.935 1.00 0.00 C ATOM 563 O ARG A 255 -6.599 -22.271 7.891 1.00 0.00 O ATOM 564 CB ARG A 255 -5.820 -19.467 6.053 1.00 0.00 C ATOM 565 CG ARG A 255 -6.212 -18.432 4.978 1.00 0.00 C ATOM 566 CD ARG A 255 -5.799 -18.882 3.574 1.00 0.00 C ATOM 567 NE ARG A 255 -5.962 -17.815 2.578 1.00 0.00 N ATOM 568 CZ ARG A 255 -5.333 -17.761 1.396 1.00 0.00 C ATOM 569 NH1 ARG A 255 -4.450 -18.683 1.049 1.00 0.00 N ATOM 570 NH2 ARG A 255 -5.569 -16.757 0.575 1.00 0.00 N ATOM 0 H ARG A 255 -8.163 -20.054 6.978 1.00 0.00 H new ATOM 0 HA ARG A 255 -6.399 -21.241 4.930 1.00 0.00 H new ATOM 0 HB2 ARG A 255 -6.033 -19.046 7.036 1.00 0.00 H new ATOM 0 HB3 ARG A 255 -4.743 -19.630 6.003 1.00 0.00 H new ATOM 0 HG2 ARG A 255 -7.290 -18.271 5.005 1.00 0.00 H new ATOM 0 HG3 ARG A 255 -5.741 -17.476 5.206 1.00 0.00 H new ATOM 0 HD2 ARG A 255 -4.758 -19.206 3.590 1.00 0.00 H new ATOM 0 HD3 ARG A 255 -6.397 -19.745 3.281 1.00 0.00 H new ATOM 0 HE ARG A 255 -6.604 -17.056 2.804 1.00 0.00 H new ATOM 0 HH11 ARG A 255 -4.238 -19.451 1.685 1.00 0.00 H new ATOM 0 HH12 ARG A 255 -3.981 -18.625 0.145 1.00 0.00 H new ATOM 0 HH21 ARG A 255 -6.228 -16.025 0.840 1.00 0.00 H new ATOM 0 HH22 ARG A 255 -5.092 -16.712 -0.326 1.00 0.00 H new ATOM 584 N SER A 256 -4.664 -22.200 6.697 1.00 0.00 N ATOM 585 CA SER A 256 -3.905 -23.089 7.584 1.00 0.00 C ATOM 586 C SER A 256 -3.537 -22.347 8.878 1.00 0.00 C ATOM 587 O SER A 256 -2.908 -21.278 8.826 1.00 0.00 O ATOM 588 CB SER A 256 -2.636 -23.606 6.865 1.00 0.00 C ATOM 589 OG SER A 256 -2.956 -24.244 5.639 1.00 0.00 O ATOM 0 H SER A 256 -4.136 -21.880 5.885 1.00 0.00 H new ATOM 0 HA SER A 256 -4.523 -23.949 7.842 1.00 0.00 H new ATOM 0 HB2 SER A 256 -1.958 -22.773 6.677 1.00 0.00 H new ATOM 0 HB3 SER A 256 -2.109 -24.306 7.514 1.00 0.00 H new ATOM 0 HG SER A 256 -2.133 -24.558 5.209 1.00 0.00 H new ATOM 595 N ALA A 257 -3.949 -22.912 10.025 1.00 0.00 N ATOM 596 CA ALA A 257 -3.641 -22.369 11.362 1.00 0.00 C ATOM 597 C ALA A 257 -2.117 -22.268 11.591 1.00 0.00 C ATOM 598 O ALA A 257 -1.634 -21.326 12.228 1.00 0.00 O ATOM 599 CB ALA A 257 -4.294 -23.247 12.432 1.00 0.00 C ATOM 0 H ALA A 257 -4.509 -23.764 10.053 1.00 0.00 H new ATOM 0 HA ALA A 257 -4.046 -21.359 11.430 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -4.067 -22.846 13.420 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -5.374 -23.258 12.284 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -3.907 -24.263 12.355 1.00 0.00 H new ATOM 605 N SER A 258 -1.386 -23.250 11.035 1.00 0.00 N ATOM 606 CA SER A 258 0.086 -23.302 11.061 1.00 0.00 C ATOM 607 C SER A 258 0.705 -22.091 10.332 1.00 0.00 C ATOM 608 O SER A 258 1.650 -21.470 10.827 1.00 0.00 O ATOM 609 CB SER A 258 0.543 -24.619 10.395 1.00 0.00 C ATOM 610 OG SER A 258 0.018 -24.731 9.076 1.00 0.00 O ATOM 0 H SER A 258 -1.807 -24.041 10.548 1.00 0.00 H new ATOM 0 HA SER A 258 0.426 -23.266 12.096 1.00 0.00 H new ATOM 0 HB2 SER A 258 1.632 -24.655 10.361 1.00 0.00 H new ATOM 0 HB3 SER A 258 0.214 -25.468 10.995 1.00 0.00 H new ATOM 0 HG SER A 258 0.322 -25.571 8.673 1.00 0.00 H new ATOM 616 N SER A 259 0.131 -21.763 9.160 1.00 0.00 N ATOM 617 CA SER A 259 0.642 -20.706 8.272 1.00 0.00 C ATOM 618 C SER A 259 0.359 -19.300 8.825 1.00 0.00 C ATOM 619 O SER A 259 1.191 -18.408 8.680 1.00 0.00 O ATOM 620 CB SER A 259 0.038 -20.860 6.861 1.00 0.00 C ATOM 621 OG SER A 259 0.348 -22.138 6.324 1.00 0.00 O ATOM 0 H SER A 259 -0.704 -22.227 8.802 1.00 0.00 H new ATOM 0 HA SER A 259 1.725 -20.820 8.215 1.00 0.00 H new ATOM 0 HB2 SER A 259 -1.043 -20.730 6.906 1.00 0.00 H new ATOM 0 HB3 SER A 259 0.426 -20.080 6.206 1.00 0.00 H new ATOM 0 HG SER A 259 -0.044 -22.221 5.429 1.00 0.00 H new ATOM 627 N VAL A 260 -0.821 -19.101 9.456 1.00 0.00 N ATOM 628 CA VAL A 260 -1.180 -17.793 10.052 1.00 0.00 C ATOM 629 C VAL A 260 -0.374 -17.549 11.351 1.00 0.00 C ATOM 630 O VAL A 260 0.000 -16.404 11.664 1.00 0.00 O ATOM 631 CB VAL A 260 -2.737 -17.646 10.304 1.00 0.00 C ATOM 632 CG1 VAL A 260 -3.539 -17.863 8.988 1.00 0.00 C ATOM 633 CG2 VAL A 260 -3.256 -18.579 11.430 1.00 0.00 C ATOM 0 H VAL A 260 -1.535 -19.822 9.565 1.00 0.00 H new ATOM 0 HA VAL A 260 -0.913 -17.024 9.327 1.00 0.00 H new ATOM 0 HB VAL A 260 -2.900 -16.624 10.646 1.00 0.00 H new ATOM 0 HG11 VAL A 260 -4.605 -17.756 9.190 1.00 0.00 H new ATOM 0 HG12 VAL A 260 -3.234 -17.122 8.249 1.00 0.00 H new ATOM 0 HG13 VAL A 260 -3.341 -18.863 8.602 1.00 0.00 H new ATOM 0 HG21 VAL A 260 -4.329 -18.434 11.557 1.00 0.00 H new ATOM 0 HG22 VAL A 260 -3.059 -19.617 11.162 1.00 0.00 H new ATOM 0 HG23 VAL A 260 -2.745 -18.342 12.363 1.00 0.00 H new ATOM 643 N LYS A 261 -0.091 -18.650 12.074 1.00 0.00 N ATOM 644 CA LYS A 261 0.798 -18.643 13.250 1.00 0.00 C ATOM 645 C LYS A 261 2.213 -18.209 12.847 1.00 0.00 C ATOM 646 O LYS A 261 2.801 -17.326 13.469 1.00 0.00 O ATOM 647 CB LYS A 261 0.824 -20.060 13.891 1.00 0.00 C ATOM 648 CG LYS A 261 1.777 -20.232 15.098 1.00 0.00 C ATOM 649 CD LYS A 261 1.605 -21.605 15.808 1.00 0.00 C ATOM 650 CE LYS A 261 1.916 -22.811 14.909 1.00 0.00 C ATOM 651 NZ LYS A 261 3.339 -22.851 14.508 1.00 0.00 N ATOM 0 H LYS A 261 -0.474 -19.570 11.858 1.00 0.00 H new ATOM 0 HA LYS A 261 0.419 -17.929 13.981 1.00 0.00 H new ATOM 0 HB2 LYS A 261 -0.187 -20.313 14.211 1.00 0.00 H new ATOM 0 HB3 LYS A 261 1.105 -20.781 13.123 1.00 0.00 H new ATOM 0 HG2 LYS A 261 2.808 -20.130 14.759 1.00 0.00 H new ATOM 0 HG3 LYS A 261 1.596 -19.432 15.815 1.00 0.00 H new ATOM 0 HD2 LYS A 261 2.257 -21.636 16.681 1.00 0.00 H new ATOM 0 HD3 LYS A 261 0.581 -21.690 16.172 1.00 0.00 H new ATOM 0 HE2 LYS A 261 1.662 -23.731 15.436 1.00 0.00 H new ATOM 0 HE3 LYS A 261 1.289 -22.770 14.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 3.506 -23.680 13.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 3.576 -21.985 13.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 3.937 -22.916 15.356 1.00 0.00 H new ATOM 665 N ASP A 262 2.720 -18.835 11.779 1.00 0.00 N ATOM 666 CA ASP A 262 4.076 -18.592 11.251 1.00 0.00 C ATOM 667 C ASP A 262 4.216 -17.160 10.704 1.00 0.00 C ATOM 668 O ASP A 262 5.239 -16.509 10.914 1.00 0.00 O ATOM 669 CB ASP A 262 4.399 -19.633 10.143 1.00 0.00 C ATOM 670 CG ASP A 262 5.775 -19.443 9.469 1.00 0.00 C ATOM 671 OD1 ASP A 262 6.808 -19.694 10.125 1.00 0.00 O ATOM 672 OD2 ASP A 262 5.828 -19.054 8.279 1.00 0.00 O ATOM 0 H ASP A 262 2.199 -19.533 11.248 1.00 0.00 H new ATOM 0 HA ASP A 262 4.789 -18.702 12.068 1.00 0.00 H new ATOM 0 HB2 ASP A 262 4.356 -20.632 10.577 1.00 0.00 H new ATOM 0 HB3 ASP A 262 3.624 -19.584 9.378 1.00 0.00 H new ATOM 677 N ARG A 263 3.163 -16.689 10.018 1.00 0.00 N ATOM 678 CA ARG A 263 3.140 -15.357 9.384 1.00 0.00 C ATOM 679 C ARG A 263 3.176 -14.243 10.447 1.00 0.00 C ATOM 680 O ARG A 263 3.909 -13.271 10.294 1.00 0.00 O ATOM 681 CB ARG A 263 1.890 -15.220 8.464 1.00 0.00 C ATOM 682 CG ARG A 263 1.797 -13.909 7.631 1.00 0.00 C ATOM 683 CD ARG A 263 3.061 -13.610 6.794 1.00 0.00 C ATOM 684 NE ARG A 263 3.494 -14.753 5.961 1.00 0.00 N ATOM 685 CZ ARG A 263 4.539 -14.739 5.114 1.00 0.00 C ATOM 686 NH1 ARG A 263 5.221 -13.621 4.869 1.00 0.00 N ATOM 687 NH2 ARG A 263 4.883 -15.852 4.492 1.00 0.00 N ATOM 0 H ARG A 263 2.302 -17.220 9.886 1.00 0.00 H new ATOM 0 HA ARG A 263 4.031 -15.250 8.766 1.00 0.00 H new ATOM 0 HB2 ARG A 263 1.875 -16.066 7.777 1.00 0.00 H new ATOM 0 HB3 ARG A 263 0.997 -15.297 9.084 1.00 0.00 H new ATOM 0 HG2 ARG A 263 0.938 -13.974 6.963 1.00 0.00 H new ATOM 0 HG3 ARG A 263 1.614 -13.073 8.306 1.00 0.00 H new ATOM 0 HD2 ARG A 263 2.867 -12.752 6.150 1.00 0.00 H new ATOM 0 HD3 ARG A 263 3.874 -13.329 7.464 1.00 0.00 H new ATOM 0 HE ARG A 263 2.959 -15.618 6.034 1.00 0.00 H new ATOM 0 HH11 ARG A 263 4.954 -12.750 5.328 1.00 0.00 H new ATOM 0 HH12 ARG A 263 6.010 -13.636 4.223 1.00 0.00 H new ATOM 0 HH21 ARG A 263 4.358 -16.711 4.656 1.00 0.00 H new ATOM 0 HH22 ARG A 263 5.674 -15.853 3.848 1.00 0.00 H new ATOM 701 N CYS A 264 2.402 -14.416 11.530 1.00 0.00 N ATOM 702 CA CYS A 264 2.319 -13.425 12.623 1.00 0.00 C ATOM 703 C CYS A 264 3.560 -13.470 13.536 1.00 0.00 C ATOM 704 O CYS A 264 3.989 -12.436 14.067 1.00 0.00 O ATOM 705 CB CYS A 264 1.052 -13.660 13.454 1.00 0.00 C ATOM 706 SG CYS A 264 0.717 -12.370 14.673 1.00 0.00 S ATOM 0 H CYS A 264 1.818 -15.240 11.676 1.00 0.00 H new ATOM 0 HA CYS A 264 2.278 -12.436 12.166 1.00 0.00 H new ATOM 0 HB2 CYS A 264 0.199 -13.738 12.781 1.00 0.00 H new ATOM 0 HB3 CYS A 264 1.141 -14.617 13.969 1.00 0.00 H new ATOM 0 HG CYS A 264 -0.437 -11.826 14.424 1.00 0.00 H new ATOM 712 N ARG A 265 4.119 -14.678 13.719 1.00 0.00 N ATOM 713 CA ARG A 265 5.299 -14.897 14.580 1.00 0.00 C ATOM 714 C ARG A 265 6.552 -14.274 13.935 1.00 0.00 C ATOM 715 O ARG A 265 7.348 -13.609 14.610 1.00 0.00 O ATOM 716 CB ARG A 265 5.509 -16.416 14.830 1.00 0.00 C ATOM 717 CG ARG A 265 6.568 -16.755 15.899 1.00 0.00 C ATOM 718 CD ARG A 265 6.695 -18.268 16.153 1.00 0.00 C ATOM 719 NE ARG A 265 7.742 -18.577 17.143 1.00 0.00 N ATOM 720 CZ ARG A 265 8.976 -19.040 16.865 1.00 0.00 C ATOM 721 NH1 ARG A 265 9.370 -19.235 15.612 1.00 0.00 N ATOM 722 NH2 ARG A 265 9.811 -19.312 17.855 1.00 0.00 N ATOM 0 H ARG A 265 3.769 -15.528 13.277 1.00 0.00 H new ATOM 0 HA ARG A 265 5.128 -14.411 15.541 1.00 0.00 H new ATOM 0 HB2 ARG A 265 4.558 -16.856 15.129 1.00 0.00 H new ATOM 0 HB3 ARG A 265 5.797 -16.888 13.891 1.00 0.00 H new ATOM 0 HG2 ARG A 265 7.535 -16.362 15.584 1.00 0.00 H new ATOM 0 HG3 ARG A 265 6.309 -16.255 16.832 1.00 0.00 H new ATOM 0 HD2 ARG A 265 5.739 -18.658 16.503 1.00 0.00 H new ATOM 0 HD3 ARG A 265 6.922 -18.775 15.215 1.00 0.00 H new ATOM 0 HE ARG A 265 7.512 -18.427 18.125 1.00 0.00 H new ATOM 0 HH11 ARG A 265 8.734 -19.034 14.840 1.00 0.00 H new ATOM 0 HH12 ARG A 265 10.308 -19.586 15.421 1.00 0.00 H new ATOM 0 HH21 ARG A 265 9.519 -19.171 18.822 1.00 0.00 H new ATOM 0 HH22 ARG A 265 10.747 -19.663 17.651 1.00 0.00 H new