USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=11 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 169:sc= -0.704 USER MOD Single : A 227 TYR OH : rot 30:sc= 0 USER MOD Single : A 228 THR OG1 : rot 180:sc= -1.99! USER MOD Single : A 234 LYS NZ :NH3+ 176:sc= 0.0495 (180deg=0.0171) USER MOD Single : A 236 LYS NZ :NH3+ -165:sc= -0.0279 (180deg=-0.248) USER MOD Single : A 241 LYS NZ :NH3+ -150:sc= 0.557 (180deg=0.177) USER MOD Single : A 242 HIS : no HE2:sc= -0.152 X(o=-0.15,f=-0.12) USER MOD Single : A 244 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 248 THR OG1 : rot 180:sc= 0 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 -17:sc= 0.045 USER MOD ----------------------------------------------------------------- ATOM 114 N TYR A 227 -1.502 -15.015 0.329 1.00 0.00 N ATOM 115 CA TYR A 227 -2.753 -14.523 0.935 1.00 0.00 C ATOM 116 C TYR A 227 -3.075 -13.118 0.398 1.00 0.00 C ATOM 117 O TYR A 227 -2.217 -12.465 -0.214 1.00 0.00 O ATOM 118 CB TYR A 227 -2.631 -14.485 2.483 1.00 0.00 C ATOM 119 CG TYR A 227 -2.364 -15.838 3.171 1.00 0.00 C ATOM 120 CD1 TYR A 227 -2.998 -17.003 2.742 1.00 0.00 C ATOM 121 CD2 TYR A 227 -1.479 -15.943 4.251 1.00 0.00 C ATOM 122 CE1 TYR A 227 -2.762 -18.213 3.358 1.00 0.00 C ATOM 123 CE2 TYR A 227 -1.245 -17.157 4.871 1.00 0.00 C ATOM 124 CZ TYR A 227 -1.886 -18.288 4.419 1.00 0.00 C ATOM 125 OH TYR A 227 -1.661 -19.501 5.032 1.00 0.00 O ATOM 0 HA TYR A 227 -3.562 -15.204 0.669 1.00 0.00 H new ATOM 0 HB2 TYR A 227 -1.826 -13.800 2.748 1.00 0.00 H new ATOM 0 HB3 TYR A 227 -3.552 -14.068 2.890 1.00 0.00 H new ATOM 0 HD1 TYR A 227 -3.687 -16.956 1.912 1.00 0.00 H new ATOM 0 HD2 TYR A 227 -0.970 -15.060 4.607 1.00 0.00 H new ATOM 0 HE1 TYR A 227 -3.264 -19.103 3.009 1.00 0.00 H new ATOM 0 HE2 TYR A 227 -0.563 -17.217 5.706 1.00 0.00 H new ATOM 0 HH TYR A 227 -1.772 -20.223 4.379 1.00 0.00 H new ATOM 135 N THR A 228 -4.319 -12.664 0.627 1.00 0.00 N ATOM 136 CA THR A 228 -4.738 -11.284 0.325 1.00 0.00 C ATOM 137 C THR A 228 -4.227 -10.357 1.457 1.00 0.00 C ATOM 138 O THR A 228 -4.034 -10.841 2.582 1.00 0.00 O ATOM 139 CB THR A 228 -6.303 -11.179 0.208 1.00 0.00 C ATOM 140 OG1 THR A 228 -6.917 -11.309 1.497 1.00 0.00 O ATOM 141 CG2 THR A 228 -6.887 -12.252 -0.734 1.00 0.00 C ATOM 0 H THR A 228 -5.060 -13.241 1.025 1.00 0.00 H new ATOM 0 HA THR A 228 -4.314 -10.982 -0.633 1.00 0.00 H new ATOM 0 HB THR A 228 -6.520 -10.196 -0.210 1.00 0.00 H new ATOM 0 HG1 THR A 228 -7.890 -11.239 1.404 1.00 0.00 H new ATOM 0 HG21 THR A 228 -7.970 -12.141 -0.784 1.00 0.00 H new ATOM 0 HG22 THR A 228 -6.463 -12.131 -1.731 1.00 0.00 H new ATOM 0 HG23 THR A 228 -6.641 -13.243 -0.353 1.00 0.00 H new ATOM 149 N PRO A 229 -3.999 -9.020 1.211 1.00 0.00 N ATOM 150 CA PRO A 229 -3.563 -8.080 2.282 1.00 0.00 C ATOM 151 C PRO A 229 -4.564 -8.013 3.463 1.00 0.00 C ATOM 152 O PRO A 229 -4.195 -7.581 4.564 1.00 0.00 O ATOM 153 CB PRO A 229 -3.440 -6.715 1.548 1.00 0.00 C ATOM 154 CG PRO A 229 -4.277 -6.871 0.315 1.00 0.00 C ATOM 155 CD PRO A 229 -4.123 -8.320 -0.094 1.00 0.00 C ATOM 0 HA PRO A 229 -2.629 -8.396 2.748 1.00 0.00 H new ATOM 0 HB2 PRO A 229 -3.801 -5.896 2.171 1.00 0.00 H new ATOM 0 HB3 PRO A 229 -2.403 -6.492 1.297 1.00 0.00 H new ATOM 0 HG2 PRO A 229 -5.321 -6.628 0.515 1.00 0.00 H new ATOM 0 HG3 PRO A 229 -3.940 -6.201 -0.476 1.00 0.00 H new ATOM 0 HD2 PRO A 229 -4.983 -8.673 -0.662 1.00 0.00 H new ATOM 0 HD3 PRO A 229 -3.244 -8.472 -0.720 1.00 0.00 H new ATOM 163 N GLU A 230 -5.825 -8.450 3.224 1.00 0.00 N ATOM 164 CA GLU A 230 -6.842 -8.535 4.279 1.00 0.00 C ATOM 165 C GLU A 230 -6.569 -9.717 5.220 1.00 0.00 C ATOM 166 O GLU A 230 -6.654 -9.541 6.423 1.00 0.00 O ATOM 167 CB GLU A 230 -8.279 -8.622 3.697 1.00 0.00 C ATOM 168 CG GLU A 230 -9.389 -8.604 4.775 1.00 0.00 C ATOM 169 CD GLU A 230 -10.812 -8.459 4.210 1.00 0.00 C ATOM 170 OE1 GLU A 230 -11.190 -7.341 3.784 1.00 0.00 O ATOM 171 OE2 GLU A 230 -11.569 -9.454 4.196 1.00 0.00 O ATOM 0 H GLU A 230 -6.154 -8.747 2.305 1.00 0.00 H new ATOM 0 HA GLU A 230 -6.776 -7.613 4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 230 -8.436 -7.788 3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 230 -8.369 -9.536 3.111 1.00 0.00 H new ATOM 0 HG2 GLU A 230 -9.332 -9.525 5.355 1.00 0.00 H new ATOM 0 HG3 GLU A 230 -9.198 -7.781 5.464 1.00 0.00 H new ATOM 178 N GLU A 231 -6.214 -10.904 4.655 1.00 0.00 N ATOM 179 CA GLU A 231 -5.991 -12.161 5.437 1.00 0.00 C ATOM 180 C GLU A 231 -4.990 -11.962 6.594 1.00 0.00 C ATOM 181 O GLU A 231 -5.207 -12.464 7.703 1.00 0.00 O ATOM 182 CB GLU A 231 -5.481 -13.321 4.534 1.00 0.00 C ATOM 183 CG GLU A 231 -6.440 -13.781 3.420 1.00 0.00 C ATOM 184 CD GLU A 231 -7.785 -14.316 3.939 1.00 0.00 C ATOM 185 OE1 GLU A 231 -7.862 -15.515 4.272 1.00 0.00 O ATOM 186 OE2 GLU A 231 -8.777 -13.549 3.996 1.00 0.00 O ATOM 0 H GLU A 231 -6.074 -11.020 3.651 1.00 0.00 H new ATOM 0 HA GLU A 231 -6.964 -12.423 5.852 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -4.543 -13.011 4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.256 -14.178 5.169 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -6.628 -12.944 2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -5.953 -14.559 2.833 1.00 0.00 H new ATOM 193 N ILE A 232 -3.899 -11.224 6.313 1.00 0.00 N ATOM 194 CA ILE A 232 -2.834 -10.967 7.297 1.00 0.00 C ATOM 195 C ILE A 232 -3.341 -10.010 8.401 1.00 0.00 C ATOM 196 O ILE A 232 -3.228 -10.314 9.595 1.00 0.00 O ATOM 197 CB ILE A 232 -1.499 -10.425 6.626 1.00 0.00 C ATOM 198 CG1 ILE A 232 -0.857 -11.493 5.664 1.00 0.00 C ATOM 199 CG2 ILE A 232 -0.458 -9.995 7.691 1.00 0.00 C ATOM 200 CD1 ILE A 232 -1.509 -11.628 4.300 1.00 0.00 C ATOM 0 H ILE A 232 -3.733 -10.793 5.404 1.00 0.00 H new ATOM 0 HA ILE A 232 -2.577 -11.922 7.755 1.00 0.00 H new ATOM 0 HB ILE A 232 -1.781 -9.551 6.039 1.00 0.00 H new ATOM 0 HG12 ILE A 232 0.194 -11.240 5.520 1.00 0.00 H new ATOM 0 HG13 ILE A 232 -0.887 -12.464 6.158 1.00 0.00 H new ATOM 0 HG21 ILE A 232 0.441 -9.630 7.194 1.00 0.00 H new ATOM 0 HG22 ILE A 232 -0.877 -9.202 8.310 1.00 0.00 H new ATOM 0 HG23 ILE A 232 -0.205 -10.850 8.318 1.00 0.00 H new ATOM 0 HD11 ILE A 232 -0.987 -12.390 3.721 1.00 0.00 H new ATOM 0 HD12 ILE A 232 -2.553 -11.917 4.423 1.00 0.00 H new ATOM 0 HD13 ILE A 232 -1.456 -10.674 3.775 1.00 0.00 H new ATOM 212 N GLU A 233 -3.945 -8.882 7.991 1.00 0.00 N ATOM 213 CA GLU A 233 -4.505 -7.879 8.930 1.00 0.00 C ATOM 214 C GLU A 233 -5.681 -8.471 9.753 1.00 0.00 C ATOM 215 O GLU A 233 -5.912 -8.079 10.904 1.00 0.00 O ATOM 216 CB GLU A 233 -4.961 -6.624 8.137 1.00 0.00 C ATOM 217 CG GLU A 233 -5.511 -5.467 9.008 1.00 0.00 C ATOM 218 CD GLU A 233 -5.950 -4.241 8.190 1.00 0.00 C ATOM 219 OE1 GLU A 233 -5.103 -3.349 7.938 1.00 0.00 O ATOM 220 OE2 GLU A 233 -7.131 -4.175 7.777 1.00 0.00 O ATOM 0 H GLU A 233 -4.061 -8.635 7.008 1.00 0.00 H new ATOM 0 HA GLU A 233 -3.728 -7.591 9.638 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -4.117 -6.253 7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -5.731 -6.922 7.425 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -6.360 -5.830 9.588 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -4.745 -5.163 9.721 1.00 0.00 H new ATOM 227 N LYS A 234 -6.381 -9.448 9.154 1.00 0.00 N ATOM 228 CA LYS A 234 -7.552 -10.111 9.752 1.00 0.00 C ATOM 229 C LYS A 234 -7.099 -11.108 10.815 1.00 0.00 C ATOM 230 O LYS A 234 -7.725 -11.224 11.864 1.00 0.00 O ATOM 231 CB LYS A 234 -8.382 -10.842 8.658 1.00 0.00 C ATOM 232 CG LYS A 234 -9.744 -11.412 9.137 1.00 0.00 C ATOM 233 CD LYS A 234 -10.764 -10.304 9.512 1.00 0.00 C ATOM 234 CE LYS A 234 -11.116 -9.380 8.323 1.00 0.00 C ATOM 235 NZ LYS A 234 -11.682 -10.136 7.177 1.00 0.00 N ATOM 0 H LYS A 234 -6.146 -9.805 8.228 1.00 0.00 H new ATOM 0 HA LYS A 234 -8.182 -9.353 10.217 1.00 0.00 H new ATOM 0 HB2 LYS A 234 -8.564 -10.148 7.838 1.00 0.00 H new ATOM 0 HB3 LYS A 234 -7.784 -11.660 8.256 1.00 0.00 H new ATOM 0 HG2 LYS A 234 -10.167 -12.037 8.351 1.00 0.00 H new ATOM 0 HG3 LYS A 234 -9.579 -12.055 10.002 1.00 0.00 H new ATOM 0 HD2 LYS A 234 -11.676 -10.769 9.886 1.00 0.00 H new ATOM 0 HD3 LYS A 234 -10.356 -9.702 10.324 1.00 0.00 H new ATOM 0 HE2 LYS A 234 -11.833 -8.627 8.650 1.00 0.00 H new ATOM 0 HE3 LYS A 234 -10.221 -8.849 8.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 234 -11.966 -9.471 6.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 234 -10.965 -10.790 6.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 234 -12.512 -10.676 7.494 1.00 0.00 H new ATOM 249 N LEU A 235 -5.997 -11.826 10.523 1.00 0.00 N ATOM 250 CA LEU A 235 -5.425 -12.813 11.456 1.00 0.00 C ATOM 251 C LEU A 235 -4.887 -12.081 12.703 1.00 0.00 C ATOM 252 O LEU A 235 -5.005 -12.574 13.826 1.00 0.00 O ATOM 253 CB LEU A 235 -4.347 -13.714 10.729 1.00 0.00 C ATOM 254 CG LEU A 235 -2.832 -13.291 10.739 1.00 0.00 C ATOM 255 CD1 LEU A 235 -2.127 -13.735 12.044 1.00 0.00 C ATOM 256 CD2 LEU A 235 -2.079 -13.859 9.513 1.00 0.00 C ATOM 0 H LEU A 235 -5.485 -11.739 9.645 1.00 0.00 H new ATOM 0 HA LEU A 235 -6.196 -13.503 11.798 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -4.408 -14.710 11.167 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -4.651 -13.805 9.686 1.00 0.00 H new ATOM 0 HG LEU A 235 -2.807 -12.203 10.687 1.00 0.00 H new ATOM 0 HD11 LEU A 235 -1.082 -13.426 12.016 1.00 0.00 H new ATOM 0 HD12 LEU A 235 -2.620 -13.272 12.899 1.00 0.00 H new ATOM 0 HD13 LEU A 235 -2.182 -14.820 12.137 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.035 -13.548 9.551 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -2.134 -14.948 9.525 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -2.537 -13.482 8.598 1.00 0.00 H new ATOM 268 N LYS A 236 -4.320 -10.880 12.464 1.00 0.00 N ATOM 269 CA LYS A 236 -3.837 -9.964 13.514 1.00 0.00 C ATOM 270 C LYS A 236 -5.005 -9.401 14.353 1.00 0.00 C ATOM 271 O LYS A 236 -4.898 -9.271 15.577 1.00 0.00 O ATOM 272 CB LYS A 236 -3.041 -8.819 12.837 1.00 0.00 C ATOM 273 CG LYS A 236 -1.671 -9.259 12.259 1.00 0.00 C ATOM 274 CD LYS A 236 -1.138 -8.306 11.170 1.00 0.00 C ATOM 275 CE LYS A 236 0.343 -8.536 10.830 1.00 0.00 C ATOM 276 NZ LYS A 236 1.230 -8.260 11.986 1.00 0.00 N ATOM 0 H LYS A 236 -4.184 -10.516 11.521 1.00 0.00 H new ATOM 0 HA LYS A 236 -3.190 -10.511 14.200 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -3.644 -8.397 12.033 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -2.878 -8.024 13.565 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -0.944 -9.318 13.069 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -1.765 -10.261 11.841 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -1.734 -8.430 10.266 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -1.271 -7.276 11.502 1.00 0.00 H new ATOM 0 HE2 LYS A 236 0.484 -9.566 10.503 1.00 0.00 H new ATOM 0 HE3 LYS A 236 0.627 -7.895 9.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 2.213 -8.178 11.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 0.941 -7.370 12.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 1.158 -9.038 12.672 1.00 0.00 H new ATOM 290 N GLU A 237 -6.121 -9.077 13.674 1.00 0.00 N ATOM 291 CA GLU A 237 -7.350 -8.563 14.328 1.00 0.00 C ATOM 292 C GLU A 237 -7.930 -9.623 15.286 1.00 0.00 C ATOM 293 O GLU A 237 -8.232 -9.333 16.445 1.00 0.00 O ATOM 294 CB GLU A 237 -8.402 -8.175 13.254 1.00 0.00 C ATOM 295 CG GLU A 237 -9.719 -7.582 13.802 1.00 0.00 C ATOM 296 CD GLU A 237 -10.772 -7.345 12.706 1.00 0.00 C ATOM 297 OE1 GLU A 237 -10.687 -6.315 11.996 1.00 0.00 O ATOM 298 OE2 GLU A 237 -11.678 -8.193 12.542 1.00 0.00 O ATOM 0 H GLU A 237 -6.201 -9.162 12.661 1.00 0.00 H new ATOM 0 HA GLU A 237 -7.095 -7.675 14.907 1.00 0.00 H new ATOM 0 HB2 GLU A 237 -7.953 -7.451 12.574 1.00 0.00 H new ATOM 0 HB3 GLU A 237 -8.639 -9.061 12.665 1.00 0.00 H new ATOM 0 HG2 GLU A 237 -10.130 -8.256 14.553 1.00 0.00 H new ATOM 0 HG3 GLU A 237 -9.505 -6.638 14.303 1.00 0.00 H new ATOM 305 N LEU A 238 -8.045 -10.855 14.760 1.00 0.00 N ATOM 306 CA LEU A 238 -8.553 -12.029 15.489 1.00 0.00 C ATOM 307 C LEU A 238 -7.575 -12.471 16.595 1.00 0.00 C ATOM 308 O LEU A 238 -7.985 -13.092 17.579 1.00 0.00 O ATOM 309 CB LEU A 238 -8.819 -13.191 14.496 1.00 0.00 C ATOM 310 CG LEU A 238 -9.931 -12.939 13.426 1.00 0.00 C ATOM 311 CD1 LEU A 238 -9.976 -14.079 12.376 1.00 0.00 C ATOM 312 CD2 LEU A 238 -11.309 -12.733 14.098 1.00 0.00 C ATOM 0 H LEU A 238 -7.782 -11.066 13.797 1.00 0.00 H new ATOM 0 HA LEU A 238 -9.490 -11.753 15.973 1.00 0.00 H new ATOM 0 HB2 LEU A 238 -7.888 -13.419 13.977 1.00 0.00 H new ATOM 0 HB3 LEU A 238 -9.089 -14.078 15.070 1.00 0.00 H new ATOM 0 HG LEU A 238 -9.680 -12.021 12.895 1.00 0.00 H new ATOM 0 HD11 LEU A 238 -10.760 -13.872 11.647 1.00 0.00 H new ATOM 0 HD12 LEU A 238 -9.015 -14.142 11.866 1.00 0.00 H new ATOM 0 HD13 LEU A 238 -10.185 -15.025 12.875 1.00 0.00 H new ATOM 0 HD21 LEU A 238 -12.065 -12.560 13.332 1.00 0.00 H new ATOM 0 HD22 LEU A 238 -11.571 -13.622 14.671 1.00 0.00 H new ATOM 0 HD23 LEU A 238 -11.264 -11.872 14.765 1.00 0.00 H new ATOM 324 N ARG A 239 -6.280 -12.172 16.399 1.00 0.00 N ATOM 325 CA ARG A 239 -5.219 -12.462 17.384 1.00 0.00 C ATOM 326 C ARG A 239 -5.403 -11.620 18.664 1.00 0.00 C ATOM 327 O ARG A 239 -5.202 -12.113 19.771 1.00 0.00 O ATOM 328 CB ARG A 239 -3.822 -12.196 16.766 1.00 0.00 C ATOM 329 CG ARG A 239 -2.642 -12.737 17.593 1.00 0.00 C ATOM 330 CD ARG A 239 -1.278 -12.238 17.088 1.00 0.00 C ATOM 331 NE ARG A 239 -1.108 -10.792 17.332 1.00 0.00 N ATOM 332 CZ ARG A 239 -0.406 -10.253 18.345 1.00 0.00 C ATOM 333 NH1 ARG A 239 0.183 -11.024 19.257 1.00 0.00 N ATOM 334 NH2 ARG A 239 -0.313 -8.937 18.445 1.00 0.00 N ATOM 0 H ARG A 239 -5.936 -11.721 15.551 1.00 0.00 H new ATOM 0 HA ARG A 239 -5.292 -13.515 17.656 1.00 0.00 H new ATOM 0 HB2 ARG A 239 -3.788 -12.643 15.773 1.00 0.00 H new ATOM 0 HB3 ARG A 239 -3.695 -11.121 16.636 1.00 0.00 H new ATOM 0 HG2 ARG A 239 -2.769 -12.441 18.634 1.00 0.00 H new ATOM 0 HG3 ARG A 239 -2.657 -13.827 17.568 1.00 0.00 H new ATOM 0 HD2 ARG A 239 -0.480 -12.789 17.587 1.00 0.00 H new ATOM 0 HD3 ARG A 239 -1.187 -12.441 16.021 1.00 0.00 H new ATOM 0 HE ARG A 239 -1.559 -10.150 16.680 1.00 0.00 H new ATOM 0 HH11 ARG A 239 0.105 -12.039 19.194 1.00 0.00 H new ATOM 0 HH12 ARG A 239 0.712 -10.600 20.019 1.00 0.00 H new ATOM 0 HH21 ARG A 239 -0.772 -8.340 17.757 1.00 0.00 H new ATOM 0 HH22 ARG A 239 0.217 -8.520 19.210 1.00 0.00 H new ATOM 348 N ILE A 240 -5.764 -10.337 18.491 1.00 0.00 N ATOM 349 CA ILE A 240 -6.098 -9.429 19.614 1.00 0.00 C ATOM 350 C ILE A 240 -7.460 -9.825 20.224 1.00 0.00 C ATOM 351 O ILE A 240 -7.601 -9.914 21.452 1.00 0.00 O ATOM 352 CB ILE A 240 -6.091 -7.905 19.134 1.00 0.00 C ATOM 353 CG1 ILE A 240 -4.638 -7.305 19.143 1.00 0.00 C ATOM 354 CG2 ILE A 240 -7.042 -6.997 19.962 1.00 0.00 C ATOM 355 CD1 ILE A 240 -3.616 -8.031 18.290 1.00 0.00 C ATOM 0 H ILE A 240 -5.834 -9.896 17.574 1.00 0.00 H new ATOM 0 HA ILE A 240 -5.337 -9.528 20.388 1.00 0.00 H new ATOM 0 HB ILE A 240 -6.466 -7.920 18.111 1.00 0.00 H new ATOM 0 HG12 ILE A 240 -4.692 -6.269 18.808 1.00 0.00 H new ATOM 0 HG13 ILE A 240 -4.279 -7.290 20.172 1.00 0.00 H new ATOM 0 HG21 ILE A 240 -6.990 -5.976 19.585 1.00 0.00 H new ATOM 0 HG22 ILE A 240 -8.064 -7.365 19.874 1.00 0.00 H new ATOM 0 HG23 ILE A 240 -6.740 -7.013 21.009 1.00 0.00 H new ATOM 0 HD11 ILE A 240 -2.651 -7.530 18.373 1.00 0.00 H new ATOM 0 HD12 ILE A 240 -3.521 -9.061 18.634 1.00 0.00 H new ATOM 0 HD13 ILE A 240 -3.940 -8.025 17.249 1.00 0.00 H new ATOM 367 N LYS A 241 -8.426 -10.098 19.332 1.00 0.00 N ATOM 368 CA LYS A 241 -9.842 -10.358 19.672 1.00 0.00 C ATOM 369 C LYS A 241 -9.993 -11.606 20.572 1.00 0.00 C ATOM 370 O LYS A 241 -10.679 -11.573 21.598 1.00 0.00 O ATOM 371 CB LYS A 241 -10.628 -10.528 18.346 1.00 0.00 C ATOM 372 CG LYS A 241 -12.169 -10.547 18.462 1.00 0.00 C ATOM 373 CD LYS A 241 -12.859 -10.580 17.072 1.00 0.00 C ATOM 374 CE LYS A 241 -12.457 -9.382 16.181 1.00 0.00 C ATOM 375 NZ LYS A 241 -13.178 -9.374 14.877 1.00 0.00 N ATOM 0 H LYS A 241 -8.244 -10.146 18.330 1.00 0.00 H new ATOM 0 HA LYS A 241 -10.241 -9.519 20.241 1.00 0.00 H new ATOM 0 HB2 LYS A 241 -10.345 -9.718 17.674 1.00 0.00 H new ATOM 0 HB3 LYS A 241 -10.309 -11.458 17.876 1.00 0.00 H new ATOM 0 HG2 LYS A 241 -12.478 -11.418 19.040 1.00 0.00 H new ATOM 0 HG3 LYS A 241 -12.502 -9.666 19.011 1.00 0.00 H new ATOM 0 HD2 LYS A 241 -12.600 -11.509 16.564 1.00 0.00 H new ATOM 0 HD3 LYS A 241 -13.941 -10.581 17.207 1.00 0.00 H new ATOM 0 HE2 LYS A 241 -12.663 -8.453 16.712 1.00 0.00 H new ATOM 0 HE3 LYS A 241 -11.383 -9.413 15.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 241 -12.579 -8.931 14.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 241 -13.397 -10.351 14.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 241 -14.062 -8.835 14.972 1.00 0.00 H new ATOM 389 N HIS A 242 -9.302 -12.688 20.181 1.00 0.00 N ATOM 390 CA HIS A 242 -9.336 -13.982 20.890 1.00 0.00 C ATOM 391 C HIS A 242 -8.164 -14.106 21.871 1.00 0.00 C ATOM 392 O HIS A 242 -8.357 -14.419 23.053 1.00 0.00 O ATOM 393 CB HIS A 242 -9.286 -15.145 19.867 1.00 0.00 C ATOM 394 CG HIS A 242 -10.599 -15.424 19.190 1.00 0.00 C ATOM 395 ND1 HIS A 242 -11.497 -16.336 19.689 1.00 0.00 N ATOM 396 CD2 HIS A 242 -11.165 -14.922 18.066 1.00 0.00 C ATOM 397 CE1 HIS A 242 -12.550 -16.386 18.913 1.00 0.00 C ATOM 398 NE2 HIS A 242 -12.383 -15.536 17.917 1.00 0.00 N ATOM 0 H HIS A 242 -8.699 -12.692 19.358 1.00 0.00 H new ATOM 0 HA HIS A 242 -10.265 -14.033 21.458 1.00 0.00 H new ATOM 0 HB2 HIS A 242 -8.539 -14.914 19.107 1.00 0.00 H new ATOM 0 HB3 HIS A 242 -8.953 -16.049 20.377 1.00 0.00 H new ATOM 0 HD1 HIS A 242 -11.364 -16.890 20.535 1.00 0.00 H new ATOM 0 HD2 HIS A 242 -10.738 -14.178 17.410 1.00 0.00 H new ATOM 0 HE1 HIS A 242 -13.413 -17.018 19.063 1.00 0.00 H new ATOM 407 N GLY A 243 -6.950 -13.845 21.369 1.00 0.00 N ATOM 408 CA GLY A 243 -5.724 -14.004 22.150 1.00 0.00 C ATOM 409 C GLY A 243 -4.827 -15.089 21.570 1.00 0.00 C ATOM 410 O GLY A 243 -3.848 -14.790 20.871 1.00 0.00 O ATOM 0 H GLY A 243 -6.794 -13.520 20.415 1.00 0.00 H new ATOM 0 HA2 GLY A 243 -5.183 -13.058 22.175 1.00 0.00 H new ATOM 0 HA3 GLY A 243 -5.978 -14.253 23.180 1.00 0.00 H new ATOM 414 N ASN A 244 -5.185 -16.363 21.839 1.00 0.00 N ATOM 415 CA ASN A 244 -4.338 -17.537 21.501 1.00 0.00 C ATOM 416 C ASN A 244 -5.095 -18.563 20.624 1.00 0.00 C ATOM 417 O ASN A 244 -4.582 -19.661 20.389 1.00 0.00 O ATOM 418 CB ASN A 244 -3.833 -18.236 22.806 1.00 0.00 C ATOM 419 CG ASN A 244 -3.224 -17.269 23.834 1.00 0.00 C ATOM 420 OD1 ASN A 244 -2.043 -16.934 23.773 1.00 0.00 O ATOM 421 ND2 ASN A 244 -4.027 -16.827 24.791 1.00 0.00 N ATOM 0 H ASN A 244 -6.064 -16.610 22.294 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.487 -17.167 20.929 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -4.666 -18.765 23.269 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -3.087 -18.985 22.540 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -3.669 -16.191 25.503 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -5.003 -17.123 24.815 1.00 0.00 H new ATOM 428 N ASP A 245 -6.313 -18.207 20.145 1.00 0.00 N ATOM 429 CA ASP A 245 -7.148 -19.109 19.304 1.00 0.00 C ATOM 430 C ASP A 245 -6.643 -19.165 17.846 1.00 0.00 C ATOM 431 O ASP A 245 -7.347 -18.737 16.932 1.00 0.00 O ATOM 432 CB ASP A 245 -8.646 -18.676 19.316 1.00 0.00 C ATOM 433 CG ASP A 245 -9.425 -19.088 20.567 1.00 0.00 C ATOM 434 OD1 ASP A 245 -9.802 -20.274 20.659 1.00 0.00 O ATOM 435 OD2 ASP A 245 -9.694 -18.229 21.434 1.00 0.00 O ATOM 0 H ASP A 245 -6.742 -17.300 20.326 1.00 0.00 H new ATOM 0 HA ASP A 245 -7.062 -20.104 19.741 1.00 0.00 H new ATOM 0 HB2 ASP A 245 -8.697 -17.592 19.215 1.00 0.00 H new ATOM 0 HB3 ASP A 245 -9.139 -19.101 18.442 1.00 0.00 H new ATOM 440 N TRP A 246 -5.445 -19.730 17.637 1.00 0.00 N ATOM 441 CA TRP A 246 -4.840 -19.861 16.291 1.00 0.00 C ATOM 442 C TRP A 246 -5.694 -20.774 15.398 1.00 0.00 C ATOM 443 O TRP A 246 -5.802 -20.548 14.184 1.00 0.00 O ATOM 444 CB TRP A 246 -3.399 -20.411 16.396 1.00 0.00 C ATOM 445 CG TRP A 246 -2.484 -19.546 17.226 1.00 0.00 C ATOM 446 CD1 TRP A 246 -1.958 -19.824 18.460 1.00 0.00 C ATOM 447 CD2 TRP A 246 -2.007 -18.242 16.876 1.00 0.00 C ATOM 448 NE1 TRP A 246 -1.169 -18.786 18.880 1.00 0.00 N ATOM 449 CE2 TRP A 246 -1.189 -17.801 17.929 1.00 0.00 C ATOM 450 CE3 TRP A 246 -2.197 -17.406 15.769 1.00 0.00 C ATOM 451 CZ2 TRP A 246 -0.544 -16.571 17.899 1.00 0.00 C ATOM 452 CZ3 TRP A 246 -1.562 -16.187 15.742 1.00 0.00 C ATOM 453 CH2 TRP A 246 -0.746 -15.775 16.804 1.00 0.00 C ATOM 0 H TRP A 246 -4.866 -20.109 18.387 1.00 0.00 H new ATOM 0 HA TRP A 246 -4.803 -18.871 15.837 1.00 0.00 H new ATOM 0 HB2 TRP A 246 -3.431 -21.411 16.828 1.00 0.00 H new ATOM 0 HB3 TRP A 246 -2.982 -20.510 15.394 1.00 0.00 H new ATOM 0 HD1 TRP A 246 -2.139 -20.730 19.020 1.00 0.00 H new ATOM 0 HE1 TRP A 246 -0.651 -18.752 19.758 1.00 0.00 H new ATOM 0 HE3 TRP A 246 -2.831 -17.713 14.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 246 0.094 -16.254 18.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 246 -1.694 -15.537 14.890 1.00 0.00 H new ATOM 0 HH2 TRP A 246 -0.266 -14.809 16.758 1.00 0.00 H new ATOM 464 N ALA A 247 -6.304 -21.792 16.035 1.00 0.00 N ATOM 465 CA ALA A 247 -7.231 -22.731 15.386 1.00 0.00 C ATOM 466 C ALA A 247 -8.451 -21.995 14.796 1.00 0.00 C ATOM 467 O ALA A 247 -8.820 -22.218 13.637 1.00 0.00 O ATOM 468 CB ALA A 247 -7.673 -23.804 16.397 1.00 0.00 C ATOM 0 H ALA A 247 -6.163 -21.985 17.027 1.00 0.00 H new ATOM 0 HA ALA A 247 -6.713 -23.215 14.558 1.00 0.00 H new ATOM 0 HB1 ALA A 247 -8.360 -24.499 15.913 1.00 0.00 H new ATOM 0 HB2 ALA A 247 -6.799 -24.348 16.755 1.00 0.00 H new ATOM 0 HB3 ALA A 247 -8.173 -23.326 17.239 1.00 0.00 H new ATOM 474 N THR A 248 -9.030 -21.085 15.600 1.00 0.00 N ATOM 475 CA THR A 248 -10.226 -20.310 15.219 1.00 0.00 C ATOM 476 C THR A 248 -9.887 -19.276 14.125 1.00 0.00 C ATOM 477 O THR A 248 -10.689 -19.043 13.215 1.00 0.00 O ATOM 478 CB THR A 248 -10.838 -19.591 16.466 1.00 0.00 C ATOM 479 OG1 THR A 248 -11.050 -20.553 17.517 1.00 0.00 O ATOM 480 CG2 THR A 248 -12.170 -18.879 16.150 1.00 0.00 C ATOM 0 H THR A 248 -8.682 -20.866 16.533 1.00 0.00 H new ATOM 0 HA THR A 248 -10.963 -21.007 14.820 1.00 0.00 H new ATOM 0 HB THR A 248 -10.127 -18.826 16.779 1.00 0.00 H new ATOM 0 HG1 THR A 248 -11.432 -20.104 18.300 1.00 0.00 H new ATOM 0 HG21 THR A 248 -12.548 -18.398 17.052 1.00 0.00 H new ATOM 0 HG22 THR A 248 -12.006 -18.127 15.379 1.00 0.00 H new ATOM 0 HG23 THR A 248 -12.898 -19.609 15.796 1.00 0.00 H new ATOM 488 N ILE A 249 -8.681 -18.682 14.236 1.00 0.00 N ATOM 489 CA ILE A 249 -8.163 -17.684 13.278 1.00 0.00 C ATOM 490 C ILE A 249 -8.035 -18.312 11.874 1.00 0.00 C ATOM 491 O ILE A 249 -8.642 -17.824 10.908 1.00 0.00 O ATOM 492 CB ILE A 249 -6.768 -17.115 13.762 1.00 0.00 C ATOM 493 CG1 ILE A 249 -6.930 -16.296 15.086 1.00 0.00 C ATOM 494 CG2 ILE A 249 -6.072 -16.263 12.673 1.00 0.00 C ATOM 495 CD1 ILE A 249 -5.627 -15.863 15.743 1.00 0.00 C ATOM 0 H ILE A 249 -8.035 -18.883 14.999 1.00 0.00 H new ATOM 0 HA ILE A 249 -8.868 -16.854 13.227 1.00 0.00 H new ATOM 0 HB ILE A 249 -6.125 -17.973 13.958 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -7.525 -15.407 14.874 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -7.496 -16.896 15.799 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -5.119 -15.895 13.053 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -5.898 -16.875 11.788 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -6.708 -15.418 12.410 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -5.846 -15.303 16.652 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -5.036 -16.744 15.993 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -5.065 -15.232 15.055 1.00 0.00 H new ATOM 507 N GLY A 250 -7.258 -19.411 11.797 1.00 0.00 N ATOM 508 CA GLY A 250 -7.017 -20.129 10.544 1.00 0.00 C ATOM 509 C GLY A 250 -8.305 -20.656 9.916 1.00 0.00 C ATOM 510 O GLY A 250 -8.504 -20.532 8.711 1.00 0.00 O ATOM 0 H GLY A 250 -6.784 -19.819 12.603 1.00 0.00 H new ATOM 0 HA2 GLY A 250 -6.518 -19.465 9.839 1.00 0.00 H new ATOM 0 HA3 GLY A 250 -6.340 -20.963 10.731 1.00 0.00 H new ATOM 514 N ALA A 251 -9.190 -21.212 10.761 1.00 0.00 N ATOM 515 CA ALA A 251 -10.493 -21.763 10.326 1.00 0.00 C ATOM 516 C ALA A 251 -11.411 -20.666 9.745 1.00 0.00 C ATOM 517 O ALA A 251 -12.135 -20.909 8.777 1.00 0.00 O ATOM 518 CB ALA A 251 -11.178 -22.483 11.496 1.00 0.00 C ATOM 0 H ALA A 251 -9.026 -21.294 11.764 1.00 0.00 H new ATOM 0 HA ALA A 251 -10.305 -22.483 9.529 1.00 0.00 H new ATOM 0 HB1 ALA A 251 -12.136 -22.885 11.165 1.00 0.00 H new ATOM 0 HB2 ALA A 251 -10.543 -23.298 11.843 1.00 0.00 H new ATOM 0 HB3 ALA A 251 -11.342 -21.778 12.311 1.00 0.00 H new ATOM 524 N ALA A 252 -11.347 -19.460 10.342 1.00 0.00 N ATOM 525 CA ALA A 252 -12.134 -18.283 9.903 1.00 0.00 C ATOM 526 C ALA A 252 -11.649 -17.772 8.534 1.00 0.00 C ATOM 527 O ALA A 252 -12.446 -17.342 7.695 1.00 0.00 O ATOM 528 CB ALA A 252 -12.035 -17.174 10.954 1.00 0.00 C ATOM 0 H ALA A 252 -10.747 -19.270 11.145 1.00 0.00 H new ATOM 0 HA ALA A 252 -13.176 -18.583 9.796 1.00 0.00 H new ATOM 0 HB1 ALA A 252 -12.615 -16.311 10.628 1.00 0.00 H new ATOM 0 HB2 ALA A 252 -12.428 -17.537 11.904 1.00 0.00 H new ATOM 0 HB3 ALA A 252 -10.992 -16.884 11.080 1.00 0.00 H new ATOM 534 N LEU A 253 -10.326 -17.827 8.344 1.00 0.00 N ATOM 535 CA LEU A 253 -9.659 -17.444 7.086 1.00 0.00 C ATOM 536 C LEU A 253 -9.767 -18.561 6.024 1.00 0.00 C ATOM 537 O LEU A 253 -9.549 -18.320 4.832 1.00 0.00 O ATOM 538 CB LEU A 253 -8.173 -17.142 7.390 1.00 0.00 C ATOM 539 CG LEU A 253 -7.909 -15.940 8.343 1.00 0.00 C ATOM 540 CD1 LEU A 253 -6.458 -15.937 8.849 1.00 0.00 C ATOM 541 CD2 LEU A 253 -8.255 -14.602 7.661 1.00 0.00 C ATOM 0 H LEU A 253 -9.677 -18.142 9.065 1.00 0.00 H new ATOM 0 HA LEU A 253 -10.151 -16.560 6.679 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -7.722 -18.033 7.826 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -7.659 -16.954 6.447 1.00 0.00 H new ATOM 0 HG LEU A 253 -8.564 -16.057 9.207 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -6.306 -15.085 9.512 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -6.261 -16.861 9.393 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -5.777 -15.863 8.001 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -8.060 -13.781 8.351 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -7.641 -14.479 6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -9.308 -14.598 7.381 1.00 0.00 H new ATOM 553 N GLY A 254 -10.087 -19.789 6.479 1.00 0.00 N ATOM 554 CA GLY A 254 -10.096 -20.981 5.618 1.00 0.00 C ATOM 555 C GLY A 254 -8.689 -21.524 5.349 1.00 0.00 C ATOM 556 O GLY A 254 -8.506 -22.427 4.523 1.00 0.00 O ATOM 0 H GLY A 254 -10.344 -19.978 7.448 1.00 0.00 H new ATOM 0 HA2 GLY A 254 -10.698 -21.759 6.087 1.00 0.00 H new ATOM 0 HA3 GLY A 254 -10.574 -20.736 4.670 1.00 0.00 H new ATOM 560 N ARG A 255 -7.692 -20.950 6.052 1.00 0.00 N ATOM 561 CA ARG A 255 -6.273 -21.318 5.929 1.00 0.00 C ATOM 562 C ARG A 255 -5.897 -22.286 7.061 1.00 0.00 C ATOM 563 O ARG A 255 -6.756 -22.707 7.854 1.00 0.00 O ATOM 564 CB ARG A 255 -5.371 -20.037 5.973 1.00 0.00 C ATOM 565 CG ARG A 255 -5.898 -18.831 5.160 1.00 0.00 C ATOM 566 CD ARG A 255 -6.178 -19.146 3.686 1.00 0.00 C ATOM 567 NE ARG A 255 -6.791 -17.992 3.013 1.00 0.00 N ATOM 568 CZ ARG A 255 -7.169 -17.940 1.731 1.00 0.00 C ATOM 569 NH1 ARG A 255 -6.911 -18.947 0.902 1.00 0.00 N ATOM 570 NH2 ARG A 255 -7.801 -16.861 1.284 1.00 0.00 N ATOM 0 H ARG A 255 -7.856 -20.207 6.731 1.00 0.00 H new ATOM 0 HA ARG A 255 -6.110 -21.812 4.971 1.00 0.00 H new ATOM 0 HB2 ARG A 255 -5.254 -19.730 7.012 1.00 0.00 H new ATOM 0 HB3 ARG A 255 -4.379 -20.298 5.604 1.00 0.00 H new ATOM 0 HG2 ARG A 255 -6.815 -18.467 5.623 1.00 0.00 H new ATOM 0 HG3 ARG A 255 -5.169 -18.022 5.216 1.00 0.00 H new ATOM 0 HD2 ARG A 255 -5.248 -19.414 3.184 1.00 0.00 H new ATOM 0 HD3 ARG A 255 -6.840 -20.009 3.613 1.00 0.00 H new ATOM 0 HE ARG A 255 -6.942 -17.154 3.575 1.00 0.00 H new ATOM 0 HH11 ARG A 255 -6.419 -19.773 1.241 1.00 0.00 H new ATOM 0 HH12 ARG A 255 -7.205 -18.893 -0.073 1.00 0.00 H new ATOM 0 HH21 ARG A 255 -7.993 -16.084 1.916 1.00 0.00 H new ATOM 0 HH22 ARG A 255 -8.094 -16.809 0.308 1.00 0.00 H new ATOM 584 N SER A 256 -4.617 -22.666 7.117 1.00 0.00 N ATOM 585 CA SER A 256 -4.089 -23.500 8.194 1.00 0.00 C ATOM 586 C SER A 256 -3.715 -22.625 9.405 1.00 0.00 C ATOM 587 O SER A 256 -3.126 -21.545 9.244 1.00 0.00 O ATOM 588 CB SER A 256 -2.880 -24.309 7.684 1.00 0.00 C ATOM 589 OG SER A 256 -3.226 -25.113 6.561 1.00 0.00 O ATOM 0 H SER A 256 -3.922 -22.404 6.418 1.00 0.00 H new ATOM 0 HA SER A 256 -4.854 -24.206 8.518 1.00 0.00 H new ATOM 0 HB2 SER A 256 -2.074 -23.628 7.411 1.00 0.00 H new ATOM 0 HB3 SER A 256 -2.502 -24.944 8.485 1.00 0.00 H new ATOM 0 HG SER A 256 -2.438 -25.612 6.261 1.00 0.00 H new ATOM 595 N ALA A 257 -4.089 -23.099 10.604 1.00 0.00 N ATOM 596 CA ALA A 257 -3.769 -22.440 11.884 1.00 0.00 C ATOM 597 C ALA A 257 -2.248 -22.269 12.057 1.00 0.00 C ATOM 598 O ALA A 257 -1.780 -21.229 12.521 1.00 0.00 O ATOM 599 CB ALA A 257 -4.352 -23.258 13.041 1.00 0.00 C ATOM 0 H ALA A 257 -4.627 -23.958 10.715 1.00 0.00 H new ATOM 0 HA ALA A 257 -4.215 -21.445 11.885 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -4.115 -22.771 13.987 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -5.434 -23.327 12.929 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -3.922 -24.260 13.031 1.00 0.00 H new ATOM 605 N SER A 258 -1.507 -23.310 11.638 1.00 0.00 N ATOM 606 CA SER A 258 -0.036 -23.352 11.670 1.00 0.00 C ATOM 607 C SER A 258 0.577 -22.242 10.791 1.00 0.00 C ATOM 608 O SER A 258 1.505 -21.544 11.213 1.00 0.00 O ATOM 609 CB SER A 258 0.436 -24.749 11.188 1.00 0.00 C ATOM 610 OG SER A 258 -0.125 -25.078 9.919 1.00 0.00 O ATOM 0 H SER A 258 -1.923 -24.162 11.261 1.00 0.00 H new ATOM 0 HA SER A 258 0.301 -23.179 12.692 1.00 0.00 H new ATOM 0 HB2 SER A 258 1.524 -24.764 11.122 1.00 0.00 H new ATOM 0 HB3 SER A 258 0.151 -25.504 11.921 1.00 0.00 H new ATOM 0 HG SER A 258 0.192 -25.963 9.641 1.00 0.00 H new ATOM 616 N SER A 259 0.009 -22.079 9.583 1.00 0.00 N ATOM 617 CA SER A 259 0.513 -21.141 8.565 1.00 0.00 C ATOM 618 C SER A 259 0.335 -19.671 9.005 1.00 0.00 C ATOM 619 O SER A 259 1.276 -18.881 8.915 1.00 0.00 O ATOM 620 CB SER A 259 -0.201 -21.398 7.220 1.00 0.00 C ATOM 621 OG SER A 259 -0.051 -22.751 6.810 1.00 0.00 O ATOM 0 H SER A 259 -0.817 -22.597 9.284 1.00 0.00 H new ATOM 0 HA SER A 259 1.582 -21.314 8.443 1.00 0.00 H new ATOM 0 HB2 SER A 259 -1.260 -21.159 7.316 1.00 0.00 H new ATOM 0 HB3 SER A 259 0.207 -20.736 6.456 1.00 0.00 H new ATOM 0 HG SER A 259 -0.652 -22.933 6.058 1.00 0.00 H new ATOM 627 N VAL A 260 -0.874 -19.327 9.501 1.00 0.00 N ATOM 628 CA VAL A 260 -1.212 -17.944 9.920 1.00 0.00 C ATOM 629 C VAL A 260 -0.478 -17.556 11.224 1.00 0.00 C ATOM 630 O VAL A 260 -0.039 -16.396 11.391 1.00 0.00 O ATOM 631 CB VAL A 260 -2.773 -17.748 10.068 1.00 0.00 C ATOM 632 CG1 VAL A 260 -3.491 -18.057 8.734 1.00 0.00 C ATOM 633 CG2 VAL A 260 -3.375 -18.589 11.224 1.00 0.00 C ATOM 0 H VAL A 260 -1.638 -19.992 9.622 1.00 0.00 H new ATOM 0 HA VAL A 260 -0.869 -17.274 9.132 1.00 0.00 H new ATOM 0 HB VAL A 260 -2.937 -16.701 10.323 1.00 0.00 H new ATOM 0 HG11 VAL A 260 -4.565 -17.916 8.858 1.00 0.00 H new ATOM 0 HG12 VAL A 260 -3.124 -17.385 7.959 1.00 0.00 H new ATOM 0 HG13 VAL A 260 -3.292 -19.089 8.444 1.00 0.00 H new ATOM 0 HG21 VAL A 260 -4.450 -18.415 11.279 1.00 0.00 H new ATOM 0 HG22 VAL A 260 -3.188 -19.647 11.040 1.00 0.00 H new ATOM 0 HG23 VAL A 260 -2.911 -18.297 12.166 1.00 0.00 H new ATOM 643 N LYS A 261 -0.322 -18.551 12.122 1.00 0.00 N ATOM 644 CA LYS A 261 0.420 -18.394 13.380 1.00 0.00 C ATOM 645 C LYS A 261 1.879 -18.046 13.097 1.00 0.00 C ATOM 646 O LYS A 261 2.408 -17.084 13.642 1.00 0.00 O ATOM 647 CB LYS A 261 0.347 -19.692 14.220 1.00 0.00 C ATOM 648 CG LYS A 261 1.196 -19.678 15.517 1.00 0.00 C ATOM 649 CD LYS A 261 1.078 -20.994 16.310 1.00 0.00 C ATOM 650 CE LYS A 261 1.941 -20.996 17.577 1.00 0.00 C ATOM 651 NZ LYS A 261 1.847 -22.279 18.323 1.00 0.00 N ATOM 0 H LYS A 261 -0.709 -19.485 11.990 1.00 0.00 H new ATOM 0 HA LYS A 261 -0.037 -17.582 13.945 1.00 0.00 H new ATOM 0 HB2 LYS A 261 -0.694 -19.877 14.486 1.00 0.00 H new ATOM 0 HB3 LYS A 261 0.671 -20.528 13.600 1.00 0.00 H new ATOM 0 HG2 LYS A 261 2.241 -19.503 15.262 1.00 0.00 H new ATOM 0 HG3 LYS A 261 0.878 -18.847 16.147 1.00 0.00 H new ATOM 0 HD2 LYS A 261 0.036 -21.157 16.584 1.00 0.00 H new ATOM 0 HD3 LYS A 261 1.374 -21.827 15.672 1.00 0.00 H new ATOM 0 HE2 LYS A 261 2.981 -20.811 17.306 1.00 0.00 H new ATOM 0 HE3 LYS A 261 1.631 -20.177 18.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 2.447 -22.232 19.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 0.860 -22.444 18.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 2.168 -23.059 17.714 1.00 0.00 H new ATOM 665 N ASP A 262 2.493 -18.840 12.219 1.00 0.00 N ATOM 666 CA ASP A 262 3.909 -18.699 11.851 1.00 0.00 C ATOM 667 C ASP A 262 4.138 -17.418 11.017 1.00 0.00 C ATOM 668 O ASP A 262 5.214 -16.799 11.086 1.00 0.00 O ATOM 669 CB ASP A 262 4.357 -19.964 11.078 1.00 0.00 C ATOM 670 CG ASP A 262 5.871 -20.030 10.840 1.00 0.00 C ATOM 671 OD1 ASP A 262 6.625 -20.183 11.827 1.00 0.00 O ATOM 672 OD2 ASP A 262 6.308 -19.943 9.677 1.00 0.00 O ATOM 0 H ASP A 262 2.021 -19.606 11.738 1.00 0.00 H new ATOM 0 HA ASP A 262 4.512 -18.603 12.754 1.00 0.00 H new ATOM 0 HB2 ASP A 262 4.045 -20.849 11.633 1.00 0.00 H new ATOM 0 HB3 ASP A 262 3.844 -19.994 10.117 1.00 0.00 H new ATOM 677 N ARG A 263 3.090 -17.025 10.257 1.00 0.00 N ATOM 678 CA ARG A 263 3.092 -15.817 9.410 1.00 0.00 C ATOM 679 C ARG A 263 3.261 -14.545 10.264 1.00 0.00 C ATOM 680 O ARG A 263 4.090 -13.683 9.942 1.00 0.00 O ATOM 681 CB ARG A 263 1.778 -15.742 8.572 1.00 0.00 C ATOM 682 CG ARG A 263 1.702 -14.627 7.487 1.00 0.00 C ATOM 683 CD ARG A 263 2.680 -14.843 6.307 1.00 0.00 C ATOM 684 NE ARG A 263 4.087 -14.563 6.667 1.00 0.00 N ATOM 685 CZ ARG A 263 5.145 -15.361 6.433 1.00 0.00 C ATOM 686 NH1 ARG A 263 4.986 -16.575 5.911 1.00 0.00 N ATOM 687 NH2 ARG A 263 6.362 -14.928 6.745 1.00 0.00 N ATOM 0 H ARG A 263 2.213 -17.544 10.216 1.00 0.00 H new ATOM 0 HA ARG A 263 3.939 -15.880 8.727 1.00 0.00 H new ATOM 0 HB2 ARG A 263 1.632 -16.704 8.081 1.00 0.00 H new ATOM 0 HB3 ARG A 263 0.943 -15.605 9.260 1.00 0.00 H new ATOM 0 HG2 ARG A 263 0.684 -14.577 7.100 1.00 0.00 H new ATOM 0 HG3 ARG A 263 1.914 -13.664 7.952 1.00 0.00 H new ATOM 0 HD2 ARG A 263 2.598 -15.872 5.957 1.00 0.00 H new ATOM 0 HD3 ARG A 263 2.388 -14.200 5.477 1.00 0.00 H new ATOM 0 HE ARG A 263 4.274 -13.678 7.139 1.00 0.00 H new ATOM 0 HH11 ARG A 263 4.051 -16.913 5.682 1.00 0.00 H new ATOM 0 HH12 ARG A 263 5.799 -17.167 5.740 1.00 0.00 H new ATOM 0 HH21 ARG A 263 6.484 -14.002 7.156 1.00 0.00 H new ATOM 0 HH22 ARG A 263 7.174 -15.521 6.574 1.00 0.00 H new ATOM 701 N CYS A 264 2.471 -14.444 11.351 1.00 0.00 N ATOM 702 CA CYS A 264 2.519 -13.280 12.266 1.00 0.00 C ATOM 703 C CYS A 264 3.697 -13.371 13.254 1.00 0.00 C ATOM 704 O CYS A 264 4.315 -12.351 13.583 1.00 0.00 O ATOM 705 CB CYS A 264 1.203 -13.157 13.040 1.00 0.00 C ATOM 706 SG CYS A 264 0.775 -14.609 14.020 1.00 0.00 S ATOM 0 H CYS A 264 1.790 -15.154 11.619 1.00 0.00 H new ATOM 0 HA CYS A 264 2.666 -12.392 11.651 1.00 0.00 H new ATOM 0 HB2 CYS A 264 1.264 -12.293 13.701 1.00 0.00 H new ATOM 0 HB3 CYS A 264 0.397 -12.961 12.333 1.00 0.00 H new ATOM 0 HG CYS A 264 1.468 -15.629 13.609 1.00 0.00 H new ATOM 712 N ARG A 265 3.978 -14.596 13.733 1.00 0.00 N ATOM 713 CA ARG A 265 5.074 -14.873 14.690 1.00 0.00 C ATOM 714 C ARG A 265 6.417 -14.372 14.132 1.00 0.00 C ATOM 715 O ARG A 265 7.205 -13.725 14.839 1.00 0.00 O ATOM 716 CB ARG A 265 5.159 -16.397 14.971 1.00 0.00 C ATOM 717 CG ARG A 265 6.298 -16.833 15.931 1.00 0.00 C ATOM 718 CD ARG A 265 6.774 -18.273 15.662 1.00 0.00 C ATOM 719 NE ARG A 265 7.218 -18.427 14.261 1.00 0.00 N ATOM 720 CZ ARG A 265 8.437 -18.124 13.785 1.00 0.00 C ATOM 721 NH1 ARG A 265 9.407 -17.688 14.584 1.00 0.00 N ATOM 722 NH2 ARG A 265 8.671 -18.275 12.493 1.00 0.00 N ATOM 0 H ARG A 265 3.451 -15.428 13.468 1.00 0.00 H new ATOM 0 HA ARG A 265 4.863 -14.346 15.620 1.00 0.00 H new ATOM 0 HB2 ARG A 265 4.208 -16.726 15.390 1.00 0.00 H new ATOM 0 HB3 ARG A 265 5.287 -16.918 14.022 1.00 0.00 H new ATOM 0 HG2 ARG A 265 7.140 -16.149 15.825 1.00 0.00 H new ATOM 0 HG3 ARG A 265 5.951 -16.754 16.961 1.00 0.00 H new ATOM 0 HD2 ARG A 265 7.593 -18.522 16.337 1.00 0.00 H new ATOM 0 HD3 ARG A 265 5.965 -18.973 15.871 1.00 0.00 H new ATOM 0 HE ARG A 265 6.538 -18.796 13.596 1.00 0.00 H new ATOM 0 HH11 ARG A 265 9.234 -17.577 15.583 1.00 0.00 H new ATOM 0 HH12 ARG A 265 10.324 -17.465 14.198 1.00 0.00 H new ATOM 0 HH21 ARG A 265 7.933 -18.616 11.877 1.00 0.00 H new ATOM 0 HH22 ARG A 265 9.590 -18.051 12.111 1.00 0.00 H new