USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=10 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= -0.092 USER MOD Single : A 227 TYR OH : rot 166:sc= -0.845 USER MOD Single : A 228 THR OG1 : rot -66:sc= 0.325 USER MOD Single : A 234 LYS NZ :NH3+ -173:sc= 0.316 (180deg=0.294) USER MOD Single : A 236 LYS NZ :NH3+ -150:sc= -0.466 (180deg=-1.79!) USER MOD Single : A 241 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0103) USER MOD Single : A 242 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 244 ASN : amide:sc= 0.471 K(o=0.47,f=-3.2!) USER MOD Single : A 248 THR OG1 : rot 180:sc= -0.0448 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 140:sc= -1.55! USER MOD ----------------------------------------------------------------- ATOM 114 N TYR A 227 -0.999 -15.169 0.462 1.00 0.00 N ATOM 115 CA TYR A 227 -2.000 -14.513 1.314 1.00 0.00 C ATOM 116 C TYR A 227 -2.137 -13.049 0.874 1.00 0.00 C ATOM 117 O TYR A 227 -1.127 -12.337 0.776 1.00 0.00 O ATOM 118 CB TYR A 227 -1.571 -14.584 2.807 1.00 0.00 C ATOM 119 CG TYR A 227 -1.782 -15.943 3.496 1.00 0.00 C ATOM 120 CD1 TYR A 227 -1.103 -17.094 3.080 1.00 0.00 C ATOM 121 CD2 TYR A 227 -2.670 -16.068 4.565 1.00 0.00 C ATOM 122 CE1 TYR A 227 -1.304 -18.307 3.708 1.00 0.00 C ATOM 123 CE2 TYR A 227 -2.870 -17.274 5.188 1.00 0.00 C ATOM 124 CZ TYR A 227 -2.190 -18.394 4.756 1.00 0.00 C ATOM 125 OH TYR A 227 -2.411 -19.609 5.368 1.00 0.00 O ATOM 0 HA TYR A 227 -2.958 -15.023 1.211 1.00 0.00 H new ATOM 0 HB2 TYR A 227 -0.515 -14.322 2.876 1.00 0.00 H new ATOM 0 HB3 TYR A 227 -2.124 -13.826 3.362 1.00 0.00 H new ATOM 0 HD1 TYR A 227 -0.410 -17.032 2.254 1.00 0.00 H new ATOM 0 HD2 TYR A 227 -3.210 -15.198 4.909 1.00 0.00 H new ATOM 0 HE1 TYR A 227 -0.767 -19.184 3.377 1.00 0.00 H new ATOM 0 HE2 TYR A 227 -3.559 -17.347 6.016 1.00 0.00 H new ATOM 0 HH TYR A 227 -2.876 -19.467 6.219 1.00 0.00 H new ATOM 135 N THR A 228 -3.379 -12.618 0.593 1.00 0.00 N ATOM 136 CA THR A 228 -3.704 -11.205 0.326 1.00 0.00 C ATOM 137 C THR A 228 -3.589 -10.395 1.645 1.00 0.00 C ATOM 138 O THR A 228 -3.905 -10.951 2.706 1.00 0.00 O ATOM 139 CB THR A 228 -5.148 -11.068 -0.268 1.00 0.00 C ATOM 140 OG1 THR A 228 -6.109 -11.578 0.665 1.00 0.00 O ATOM 141 CG2 THR A 228 -5.297 -11.826 -1.603 1.00 0.00 C ATOM 0 H THR A 228 -4.186 -13.239 0.544 1.00 0.00 H new ATOM 0 HA THR A 228 -2.999 -10.812 -0.407 1.00 0.00 H new ATOM 0 HB THR A 228 -5.323 -10.008 -0.454 1.00 0.00 H new ATOM 0 HG1 THR A 228 -5.980 -12.543 0.773 1.00 0.00 H new ATOM 0 HG21 THR A 228 -6.313 -11.704 -1.979 1.00 0.00 H new ATOM 0 HG22 THR A 228 -4.591 -11.425 -2.330 1.00 0.00 H new ATOM 0 HG23 THR A 228 -5.093 -12.885 -1.445 1.00 0.00 H new ATOM 149 N PRO A 229 -3.157 -9.081 1.606 1.00 0.00 N ATOM 150 CA PRO A 229 -2.883 -8.268 2.833 1.00 0.00 C ATOM 151 C PRO A 229 -4.070 -8.218 3.834 1.00 0.00 C ATOM 152 O PRO A 229 -3.846 -8.070 5.043 1.00 0.00 O ATOM 153 CB PRO A 229 -2.519 -6.858 2.271 1.00 0.00 C ATOM 154 CG PRO A 229 -3.020 -6.862 0.852 1.00 0.00 C ATOM 155 CD PRO A 229 -2.898 -8.287 0.373 1.00 0.00 C ATOM 0 HA PRO A 229 -2.085 -8.707 3.432 1.00 0.00 H new ATOM 0 HB2 PRO A 229 -2.991 -6.067 2.854 1.00 0.00 H new ATOM 0 HB3 PRO A 229 -1.444 -6.684 2.309 1.00 0.00 H new ATOM 0 HG2 PRO A 229 -4.054 -6.521 0.802 1.00 0.00 H new ATOM 0 HG3 PRO A 229 -2.432 -6.189 0.228 1.00 0.00 H new ATOM 0 HD2 PRO A 229 -3.621 -8.512 -0.411 1.00 0.00 H new ATOM 0 HD3 PRO A 229 -1.909 -8.491 -0.038 1.00 0.00 H new ATOM 163 N GLU A 230 -5.316 -8.357 3.310 1.00 0.00 N ATOM 164 CA GLU A 230 -6.543 -8.467 4.127 1.00 0.00 C ATOM 165 C GLU A 230 -6.427 -9.615 5.143 1.00 0.00 C ATOM 166 O GLU A 230 -6.637 -9.405 6.328 1.00 0.00 O ATOM 167 CB GLU A 230 -7.791 -8.686 3.217 1.00 0.00 C ATOM 168 CG GLU A 230 -8.284 -7.440 2.464 1.00 0.00 C ATOM 169 CD GLU A 230 -8.884 -6.382 3.412 1.00 0.00 C ATOM 170 OE1 GLU A 230 -9.937 -6.660 4.038 1.00 0.00 O ATOM 171 OE2 GLU A 230 -8.314 -5.279 3.545 1.00 0.00 O ATOM 0 H GLU A 230 -5.493 -8.395 2.306 1.00 0.00 H new ATOM 0 HA GLU A 230 -6.664 -7.532 4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 230 -7.556 -9.461 2.488 1.00 0.00 H new ATOM 0 HB3 GLU A 230 -8.607 -9.064 3.833 1.00 0.00 H new ATOM 0 HG2 GLU A 230 -7.454 -7.000 1.911 1.00 0.00 H new ATOM 0 HG3 GLU A 230 -9.035 -7.735 1.731 1.00 0.00 H new ATOM 178 N GLU A 231 -6.038 -10.805 4.647 1.00 0.00 N ATOM 179 CA GLU A 231 -5.990 -12.056 5.433 1.00 0.00 C ATOM 180 C GLU A 231 -4.956 -12.002 6.567 1.00 0.00 C ATOM 181 O GLU A 231 -5.167 -12.616 7.620 1.00 0.00 O ATOM 182 CB GLU A 231 -5.698 -13.250 4.492 1.00 0.00 C ATOM 183 CG GLU A 231 -6.761 -13.448 3.394 1.00 0.00 C ATOM 184 CD GLU A 231 -6.439 -14.612 2.451 1.00 0.00 C ATOM 185 OE1 GLU A 231 -5.658 -14.411 1.491 1.00 0.00 O ATOM 186 OE2 GLU A 231 -6.949 -15.725 2.663 1.00 0.00 O ATOM 0 H GLU A 231 -5.744 -10.928 3.678 1.00 0.00 H new ATOM 0 HA GLU A 231 -6.964 -12.185 5.904 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -4.726 -13.101 4.022 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.628 -14.161 5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -7.730 -13.624 3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -6.850 -12.530 2.812 1.00 0.00 H new ATOM 193 N ILE A 232 -3.840 -11.269 6.347 1.00 0.00 N ATOM 194 CA ILE A 232 -2.828 -11.072 7.391 1.00 0.00 C ATOM 195 C ILE A 232 -3.401 -10.152 8.486 1.00 0.00 C ATOM 196 O ILE A 232 -3.430 -10.523 9.655 1.00 0.00 O ATOM 197 CB ILE A 232 -1.440 -10.513 6.860 1.00 0.00 C ATOM 198 CG1 ILE A 232 -0.763 -11.508 5.836 1.00 0.00 C ATOM 199 CG2 ILE A 232 -0.464 -10.214 8.039 1.00 0.00 C ATOM 200 CD1 ILE A 232 -1.240 -11.378 4.404 1.00 0.00 C ATOM 0 H ILE A 232 -3.626 -10.811 5.461 1.00 0.00 H new ATOM 0 HA ILE A 232 -2.601 -12.058 7.797 1.00 0.00 H new ATOM 0 HB ILE A 232 -1.653 -9.580 6.338 1.00 0.00 H new ATOM 0 HG12 ILE A 232 0.315 -11.351 5.859 1.00 0.00 H new ATOM 0 HG13 ILE A 232 -0.944 -12.529 6.172 1.00 0.00 H new ATOM 0 HG21 ILE A 232 0.478 -9.833 7.644 1.00 0.00 H new ATOM 0 HG22 ILE A 232 -0.909 -9.469 8.699 1.00 0.00 H new ATOM 0 HG23 ILE A 232 -0.278 -11.131 8.599 1.00 0.00 H new ATOM 0 HD11 ILE A 232 -0.717 -12.102 3.779 1.00 0.00 H new ATOM 0 HD12 ILE A 232 -2.313 -11.567 4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 232 -1.034 -10.371 4.042 1.00 0.00 H new ATOM 212 N GLU A 233 -3.922 -8.974 8.090 1.00 0.00 N ATOM 213 CA GLU A 233 -4.543 -8.019 9.037 1.00 0.00 C ATOM 214 C GLU A 233 -5.778 -8.636 9.739 1.00 0.00 C ATOM 215 O GLU A 233 -6.132 -8.239 10.852 1.00 0.00 O ATOM 216 CB GLU A 233 -4.924 -6.706 8.302 1.00 0.00 C ATOM 217 CG GLU A 233 -5.507 -5.609 9.229 1.00 0.00 C ATOM 218 CD GLU A 233 -5.702 -4.255 8.546 1.00 0.00 C ATOM 219 OE1 GLU A 233 -4.727 -3.481 8.468 1.00 0.00 O ATOM 220 OE2 GLU A 233 -6.821 -3.960 8.069 1.00 0.00 O ATOM 0 H GLU A 233 -3.926 -8.658 7.120 1.00 0.00 H new ATOM 0 HA GLU A 233 -3.811 -7.788 9.811 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -4.039 -6.312 7.802 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -5.653 -6.935 7.525 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -6.467 -5.949 9.618 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -4.844 -5.481 10.084 1.00 0.00 H new ATOM 227 N LYS A 234 -6.398 -9.633 9.080 1.00 0.00 N ATOM 228 CA LYS A 234 -7.584 -10.330 9.594 1.00 0.00 C ATOM 229 C LYS A 234 -7.167 -11.365 10.659 1.00 0.00 C ATOM 230 O LYS A 234 -7.871 -11.533 11.652 1.00 0.00 O ATOM 231 CB LYS A 234 -8.372 -11.011 8.423 1.00 0.00 C ATOM 232 CG LYS A 234 -9.916 -10.942 8.541 1.00 0.00 C ATOM 233 CD LYS A 234 -10.450 -9.490 8.430 1.00 0.00 C ATOM 234 CE LYS A 234 -10.112 -8.820 7.068 1.00 0.00 C ATOM 235 NZ LYS A 234 -10.523 -7.388 7.016 1.00 0.00 N ATOM 0 H LYS A 234 -6.086 -9.977 8.172 1.00 0.00 H new ATOM 0 HA LYS A 234 -8.247 -9.603 10.063 1.00 0.00 H new ATOM 0 HB2 LYS A 234 -8.074 -10.543 7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 234 -8.074 -12.058 8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 234 -10.366 -11.553 7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 234 -10.225 -11.368 9.495 1.00 0.00 H new ATOM 0 HD2 LYS A 234 -11.531 -9.495 8.568 1.00 0.00 H new ATOM 0 HD3 LYS A 234 -10.029 -8.891 9.238 1.00 0.00 H new ATOM 0 HE2 LYS A 234 -9.040 -8.893 6.888 1.00 0.00 H new ATOM 0 HE3 LYS A 234 -10.608 -9.366 6.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 234 -10.385 -7.022 6.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 234 -11.526 -7.305 7.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 234 -9.945 -6.837 7.682 1.00 0.00 H new ATOM 249 N LEU A 235 -6.013 -12.055 10.446 1.00 0.00 N ATOM 250 CA LEU A 235 -5.467 -13.016 11.442 1.00 0.00 C ATOM 251 C LEU A 235 -5.093 -12.253 12.722 1.00 0.00 C ATOM 252 O LEU A 235 -5.308 -12.731 13.841 1.00 0.00 O ATOM 253 CB LEU A 235 -4.258 -13.869 10.864 1.00 0.00 C ATOM 254 CG LEU A 235 -2.791 -13.275 10.887 1.00 0.00 C ATOM 255 CD1 LEU A 235 -2.077 -13.507 12.239 1.00 0.00 C ATOM 256 CD2 LEU A 235 -1.926 -13.811 9.720 1.00 0.00 C ATOM 0 H LEU A 235 -5.448 -11.964 9.601 1.00 0.00 H new ATOM 0 HA LEU A 235 -6.238 -13.748 11.684 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -4.235 -14.812 11.411 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -4.495 -14.108 9.827 1.00 0.00 H new ATOM 0 HG LEU A 235 -2.907 -12.199 10.756 1.00 0.00 H new ATOM 0 HD11 LEU A 235 -1.075 -13.080 12.199 1.00 0.00 H new ATOM 0 HD12 LEU A 235 -2.644 -13.028 13.037 1.00 0.00 H new ATOM 0 HD13 LEU A 235 -2.008 -14.577 12.435 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -0.928 -13.376 9.777 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -1.853 -14.896 9.790 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -2.387 -13.539 8.771 1.00 0.00 H new ATOM 268 N LYS A 236 -4.552 -11.042 12.513 1.00 0.00 N ATOM 269 CA LYS A 236 -4.116 -10.137 13.579 1.00 0.00 C ATOM 270 C LYS A 236 -5.312 -9.550 14.343 1.00 0.00 C ATOM 271 O LYS A 236 -5.265 -9.440 15.562 1.00 0.00 O ATOM 272 CB LYS A 236 -3.256 -9.019 12.946 1.00 0.00 C ATOM 273 CG LYS A 236 -1.964 -9.541 12.259 1.00 0.00 C ATOM 274 CD LYS A 236 -1.330 -8.533 11.263 1.00 0.00 C ATOM 275 CE LYS A 236 -0.535 -7.407 11.925 1.00 0.00 C ATOM 276 NZ LYS A 236 -1.335 -6.571 12.860 1.00 0.00 N ATOM 0 H LYS A 236 -4.404 -10.661 11.579 1.00 0.00 H new ATOM 0 HA LYS A 236 -3.524 -10.692 14.307 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -3.856 -8.482 12.212 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -2.982 -8.301 13.719 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -1.231 -9.788 13.027 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -2.194 -10.465 11.729 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -0.672 -9.076 10.585 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -2.122 -8.094 10.656 1.00 0.00 H new ATOM 0 HE2 LYS A 236 0.305 -7.840 12.469 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -0.116 -6.767 11.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -0.953 -5.604 12.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -2.326 -6.548 12.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -1.286 -6.976 13.817 1.00 0.00 H new ATOM 290 N GLU A 237 -6.386 -9.201 13.605 1.00 0.00 N ATOM 291 CA GLU A 237 -7.638 -8.661 14.183 1.00 0.00 C ATOM 292 C GLU A 237 -8.290 -9.702 15.110 1.00 0.00 C ATOM 293 O GLU A 237 -8.704 -9.404 16.238 1.00 0.00 O ATOM 294 CB GLU A 237 -8.622 -8.273 13.039 1.00 0.00 C ATOM 295 CG GLU A 237 -9.920 -7.574 13.497 1.00 0.00 C ATOM 296 CD GLU A 237 -9.677 -6.195 14.157 1.00 0.00 C ATOM 297 OE1 GLU A 237 -9.454 -6.124 15.383 1.00 0.00 O ATOM 298 OE2 GLU A 237 -9.703 -5.174 13.444 1.00 0.00 O ATOM 0 H GLU A 237 -6.411 -9.285 12.589 1.00 0.00 H new ATOM 0 HA GLU A 237 -7.403 -7.772 14.769 1.00 0.00 H new ATOM 0 HB2 GLU A 237 -8.102 -7.617 12.341 1.00 0.00 H new ATOM 0 HB3 GLU A 237 -8.889 -9.176 12.489 1.00 0.00 H new ATOM 0 HG2 GLU A 237 -10.577 -7.446 12.637 1.00 0.00 H new ATOM 0 HG3 GLU A 237 -10.441 -8.220 14.204 1.00 0.00 H new ATOM 305 N LEU A 238 -8.359 -10.928 14.588 1.00 0.00 N ATOM 306 CA LEU A 238 -8.867 -12.104 15.305 1.00 0.00 C ATOM 307 C LEU A 238 -7.929 -12.504 16.464 1.00 0.00 C ATOM 308 O LEU A 238 -8.381 -13.108 17.436 1.00 0.00 O ATOM 309 CB LEU A 238 -9.084 -13.282 14.307 1.00 0.00 C ATOM 310 CG LEU A 238 -10.437 -13.293 13.495 1.00 0.00 C ATOM 311 CD1 LEU A 238 -10.800 -11.910 12.886 1.00 0.00 C ATOM 312 CD2 LEU A 238 -10.393 -14.383 12.394 1.00 0.00 C ATOM 0 H LEU A 238 -8.058 -11.138 13.636 1.00 0.00 H new ATOM 0 HA LEU A 238 -9.829 -11.852 15.751 1.00 0.00 H new ATOM 0 HB2 LEU A 238 -8.260 -13.277 13.593 1.00 0.00 H new ATOM 0 HB3 LEU A 238 -9.016 -14.216 14.865 1.00 0.00 H new ATOM 0 HG LEU A 238 -11.228 -13.528 14.207 1.00 0.00 H new ATOM 0 HD11 LEU A 238 -11.741 -11.988 12.341 1.00 0.00 H new ATOM 0 HD12 LEU A 238 -10.903 -11.176 13.685 1.00 0.00 H new ATOM 0 HD13 LEU A 238 -10.011 -11.594 12.204 1.00 0.00 H new ATOM 0 HD21 LEU A 238 -11.332 -14.380 11.841 1.00 0.00 H new ATOM 0 HD22 LEU A 238 -9.569 -14.177 11.711 1.00 0.00 H new ATOM 0 HD23 LEU A 238 -10.246 -15.360 12.855 1.00 0.00 H new ATOM 324 N ARG A 239 -6.624 -12.179 16.351 1.00 0.00 N ATOM 325 CA ARG A 239 -5.645 -12.409 17.439 1.00 0.00 C ATOM 326 C ARG A 239 -5.867 -11.420 18.600 1.00 0.00 C ATOM 327 O ARG A 239 -5.651 -11.764 19.765 1.00 0.00 O ATOM 328 CB ARG A 239 -4.181 -12.316 16.918 1.00 0.00 C ATOM 329 CG ARG A 239 -3.121 -12.698 17.974 1.00 0.00 C ATOM 330 CD ARG A 239 -1.674 -12.603 17.477 1.00 0.00 C ATOM 331 NE ARG A 239 -0.743 -13.111 18.498 1.00 0.00 N ATOM 332 CZ ARG A 239 0.568 -13.333 18.331 1.00 0.00 C ATOM 333 NH1 ARG A 239 1.184 -13.002 17.207 1.00 0.00 N ATOM 334 NH2 ARG A 239 1.261 -13.901 19.304 1.00 0.00 N ATOM 0 H ARG A 239 -6.221 -11.755 15.515 1.00 0.00 H new ATOM 0 HA ARG A 239 -5.805 -13.421 17.812 1.00 0.00 H new ATOM 0 HB2 ARG A 239 -4.071 -12.969 16.052 1.00 0.00 H new ATOM 0 HB3 ARG A 239 -3.990 -11.299 16.576 1.00 0.00 H new ATOM 0 HG2 ARG A 239 -3.238 -12.048 18.841 1.00 0.00 H new ATOM 0 HG3 ARG A 239 -3.311 -13.717 18.311 1.00 0.00 H new ATOM 0 HD2 ARG A 239 -1.561 -13.176 16.557 1.00 0.00 H new ATOM 0 HD3 ARG A 239 -1.432 -11.567 17.239 1.00 0.00 H new ATOM 0 HE ARG A 239 -1.132 -13.313 19.419 1.00 0.00 H new ATOM 0 HH11 ARG A 239 0.660 -12.569 16.447 1.00 0.00 H new ATOM 0 HH12 ARG A 239 2.183 -13.180 17.101 1.00 0.00 H new ATOM 0 HH21 ARG A 239 0.797 -14.166 20.173 1.00 0.00 H new ATOM 0 HH22 ARG A 239 2.259 -14.074 19.185 1.00 0.00 H new ATOM 348 N ILE A 240 -6.291 -10.188 18.271 1.00 0.00 N ATOM 349 CA ILE A 240 -6.608 -9.156 19.278 1.00 0.00 C ATOM 350 C ILE A 240 -7.842 -9.581 20.117 1.00 0.00 C ATOM 351 O ILE A 240 -7.865 -9.419 21.344 1.00 0.00 O ATOM 352 CB ILE A 240 -6.860 -7.749 18.593 1.00 0.00 C ATOM 353 CG1 ILE A 240 -5.580 -7.268 17.822 1.00 0.00 C ATOM 354 CG2 ILE A 240 -7.309 -6.677 19.626 1.00 0.00 C ATOM 355 CD1 ILE A 240 -5.770 -6.020 16.968 1.00 0.00 C ATOM 0 H ILE A 240 -6.423 -9.879 17.308 1.00 0.00 H new ATOM 0 HA ILE A 240 -5.750 -9.057 19.943 1.00 0.00 H new ATOM 0 HB ILE A 240 -7.671 -7.877 17.877 1.00 0.00 H new ATOM 0 HG12 ILE A 240 -4.789 -7.076 18.547 1.00 0.00 H new ATOM 0 HG13 ILE A 240 -5.235 -8.079 17.181 1.00 0.00 H new ATOM 0 HG21 ILE A 240 -7.471 -5.727 19.117 1.00 0.00 H new ATOM 0 HG22 ILE A 240 -8.236 -6.997 20.102 1.00 0.00 H new ATOM 0 HG23 ILE A 240 -6.535 -6.555 20.384 1.00 0.00 H new ATOM 0 HD11 ILE A 240 -4.830 -5.769 16.477 1.00 0.00 H new ATOM 0 HD12 ILE A 240 -6.535 -6.208 16.214 1.00 0.00 H new ATOM 0 HD13 ILE A 240 -6.082 -5.190 17.602 1.00 0.00 H new ATOM 367 N LYS A 241 -8.844 -10.165 19.437 1.00 0.00 N ATOM 368 CA LYS A 241 -10.140 -10.514 20.057 1.00 0.00 C ATOM 369 C LYS A 241 -10.086 -11.873 20.790 1.00 0.00 C ATOM 370 O LYS A 241 -10.481 -11.973 21.957 1.00 0.00 O ATOM 371 CB LYS A 241 -11.254 -10.530 18.972 1.00 0.00 C ATOM 372 CG LYS A 241 -12.702 -10.577 19.530 1.00 0.00 C ATOM 373 CD LYS A 241 -13.041 -9.355 20.440 1.00 0.00 C ATOM 374 CE LYS A 241 -12.923 -8.000 19.704 1.00 0.00 C ATOM 375 NZ LYS A 241 -13.847 -7.907 18.544 1.00 0.00 N ATOM 0 H LYS A 241 -8.782 -10.408 18.448 1.00 0.00 H new ATOM 0 HA LYS A 241 -10.367 -9.754 20.804 1.00 0.00 H new ATOM 0 HB2 LYS A 241 -11.148 -9.642 18.349 1.00 0.00 H new ATOM 0 HB3 LYS A 241 -11.100 -11.394 18.325 1.00 0.00 H new ATOM 0 HG2 LYS A 241 -13.406 -10.611 18.698 1.00 0.00 H new ATOM 0 HG3 LYS A 241 -12.837 -11.497 20.099 1.00 0.00 H new ATOM 0 HD2 LYS A 241 -14.055 -9.466 20.824 1.00 0.00 H new ATOM 0 HD3 LYS A 241 -12.372 -9.354 21.301 1.00 0.00 H new ATOM 0 HE2 LYS A 241 -13.136 -7.190 20.402 1.00 0.00 H new ATOM 0 HE3 LYS A 241 -11.897 -7.863 19.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 241 -13.769 -6.964 18.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 241 -13.595 -8.631 17.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 241 -14.824 -8.061 18.865 1.00 0.00 H new ATOM 389 N HIS A 242 -9.612 -12.911 20.085 1.00 0.00 N ATOM 390 CA HIS A 242 -9.569 -14.297 20.600 1.00 0.00 C ATOM 391 C HIS A 242 -8.298 -14.536 21.417 1.00 0.00 C ATOM 392 O HIS A 242 -8.349 -15.082 22.519 1.00 0.00 O ATOM 393 CB HIS A 242 -9.643 -15.328 19.435 1.00 0.00 C ATOM 394 CG HIS A 242 -10.935 -15.281 18.658 1.00 0.00 C ATOM 395 ND1 HIS A 242 -11.990 -16.136 18.898 1.00 0.00 N ATOM 396 CD2 HIS A 242 -11.343 -14.476 17.645 1.00 0.00 C ATOM 397 CE1 HIS A 242 -12.977 -15.861 18.078 1.00 0.00 C ATOM 398 NE2 HIS A 242 -12.616 -14.857 17.310 1.00 0.00 N ATOM 0 H HIS A 242 -9.245 -12.817 19.138 1.00 0.00 H new ATOM 0 HA HIS A 242 -10.436 -14.434 21.246 1.00 0.00 H new ATOM 0 HB2 HIS A 242 -8.813 -15.149 18.752 1.00 0.00 H new ATOM 0 HB3 HIS A 242 -9.511 -16.331 19.841 1.00 0.00 H new ATOM 0 HD2 HIS A 242 -10.771 -13.682 17.188 1.00 0.00 H new ATOM 0 HE1 HIS A 242 -13.927 -16.374 18.040 1.00 0.00 H new ATOM 0 HE2 HIS A 242 -13.190 -14.431 16.583 1.00 0.00 H new ATOM 407 N GLY A 243 -7.162 -14.110 20.864 1.00 0.00 N ATOM 408 CA GLY A 243 -5.847 -14.391 21.444 1.00 0.00 C ATOM 409 C GLY A 243 -4.990 -15.199 20.488 1.00 0.00 C ATOM 410 O GLY A 243 -5.138 -15.081 19.266 1.00 0.00 O ATOM 0 H GLY A 243 -7.126 -13.562 20.004 1.00 0.00 H new ATOM 0 HA2 GLY A 243 -5.344 -13.454 21.685 1.00 0.00 H new ATOM 0 HA3 GLY A 243 -5.968 -14.937 22.379 1.00 0.00 H new ATOM 414 N ASN A 244 -4.127 -16.062 21.035 1.00 0.00 N ATOM 415 CA ASN A 244 -3.179 -16.884 20.252 1.00 0.00 C ATOM 416 C ASN A 244 -3.826 -18.214 19.801 1.00 0.00 C ATOM 417 O ASN A 244 -3.139 -19.225 19.628 1.00 0.00 O ATOM 418 CB ASN A 244 -1.923 -17.150 21.121 1.00 0.00 C ATOM 419 CG ASN A 244 -1.187 -15.873 21.541 1.00 0.00 C ATOM 420 OD1 ASN A 244 -1.133 -14.892 20.804 1.00 0.00 O ATOM 421 ND2 ASN A 244 -0.626 -15.870 22.736 1.00 0.00 N ATOM 0 H ASN A 244 -4.061 -16.216 22.041 1.00 0.00 H new ATOM 0 HA ASN A 244 -2.897 -16.345 19.348 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -2.219 -17.699 22.015 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -1.236 -17.790 20.566 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -0.134 -15.040 23.066 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -0.685 -16.698 23.329 1.00 0.00 H new ATOM 428 N ASP A 245 -5.154 -18.192 19.576 1.00 0.00 N ATOM 429 CA ASP A 245 -5.930 -19.362 19.132 1.00 0.00 C ATOM 430 C ASP A 245 -5.821 -19.499 17.608 1.00 0.00 C ATOM 431 O ASP A 245 -6.771 -19.214 16.882 1.00 0.00 O ATOM 432 CB ASP A 245 -7.417 -19.229 19.573 1.00 0.00 C ATOM 433 CG ASP A 245 -7.588 -19.062 21.086 1.00 0.00 C ATOM 434 OD1 ASP A 245 -7.388 -20.049 21.817 1.00 0.00 O ATOM 435 OD2 ASP A 245 -7.914 -17.942 21.548 1.00 0.00 O ATOM 0 H ASP A 245 -5.721 -17.353 19.699 1.00 0.00 H new ATOM 0 HA ASP A 245 -5.524 -20.261 19.596 1.00 0.00 H new ATOM 0 HB2 ASP A 245 -7.863 -18.373 19.067 1.00 0.00 H new ATOM 0 HB3 ASP A 245 -7.966 -20.113 19.248 1.00 0.00 H new ATOM 440 N TRP A 246 -4.636 -19.930 17.140 1.00 0.00 N ATOM 441 CA TRP A 246 -4.301 -20.012 15.700 1.00 0.00 C ATOM 442 C TRP A 246 -5.233 -20.962 14.942 1.00 0.00 C ATOM 443 O TRP A 246 -5.500 -20.754 13.757 1.00 0.00 O ATOM 444 CB TRP A 246 -2.833 -20.462 15.520 1.00 0.00 C ATOM 445 CG TRP A 246 -1.847 -19.552 16.208 1.00 0.00 C ATOM 446 CD1 TRP A 246 -1.076 -19.833 17.302 1.00 0.00 C ATOM 447 CD2 TRP A 246 -1.560 -18.191 15.856 1.00 0.00 C ATOM 448 NE1 TRP A 246 -0.316 -18.743 17.631 1.00 0.00 N ATOM 449 CE2 TRP A 246 -0.591 -17.725 16.759 1.00 0.00 C ATOM 450 CE3 TRP A 246 -2.013 -17.331 14.846 1.00 0.00 C ATOM 451 CZ2 TRP A 246 -0.072 -16.441 16.689 1.00 0.00 C ATOM 452 CZ3 TRP A 246 -1.507 -16.055 14.787 1.00 0.00 C ATOM 453 CH2 TRP A 246 -0.542 -15.620 15.701 1.00 0.00 C ATOM 0 H TRP A 246 -3.877 -20.234 17.750 1.00 0.00 H new ATOM 0 HA TRP A 246 -4.435 -19.015 15.279 1.00 0.00 H new ATOM 0 HB2 TRP A 246 -2.719 -21.473 15.910 1.00 0.00 H new ATOM 0 HB3 TRP A 246 -2.600 -20.503 14.456 1.00 0.00 H new ATOM 0 HD1 TRP A 246 -1.068 -20.776 17.829 1.00 0.00 H new ATOM 0 HE1 TRP A 246 0.349 -18.697 18.403 1.00 0.00 H new ATOM 0 HE3 TRP A 246 -2.746 -17.665 14.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 246 0.677 -16.101 17.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 246 -1.860 -15.378 14.023 1.00 0.00 H new ATOM 0 HH2 TRP A 246 -0.159 -14.613 15.625 1.00 0.00 H new ATOM 464 N ALA A 247 -5.691 -22.014 15.641 1.00 0.00 N ATOM 465 CA ALA A 247 -6.659 -22.986 15.105 1.00 0.00 C ATOM 466 C ALA A 247 -7.994 -22.298 14.752 1.00 0.00 C ATOM 467 O ALA A 247 -8.525 -22.483 13.650 1.00 0.00 O ATOM 468 CB ALA A 247 -6.868 -24.125 16.122 1.00 0.00 C ATOM 0 H ALA A 247 -5.399 -22.215 16.597 1.00 0.00 H new ATOM 0 HA ALA A 247 -6.261 -23.411 14.184 1.00 0.00 H new ATOM 0 HB1 ALA A 247 -7.585 -24.842 15.723 1.00 0.00 H new ATOM 0 HB2 ALA A 247 -5.918 -24.626 16.307 1.00 0.00 H new ATOM 0 HB3 ALA A 247 -7.249 -23.713 17.056 1.00 0.00 H new ATOM 474 N THR A 248 -8.483 -21.472 15.696 1.00 0.00 N ATOM 475 CA THR A 248 -9.757 -20.734 15.576 1.00 0.00 C ATOM 476 C THR A 248 -9.666 -19.647 14.483 1.00 0.00 C ATOM 477 O THR A 248 -10.564 -19.505 13.637 1.00 0.00 O ATOM 478 CB THR A 248 -10.114 -20.057 16.943 1.00 0.00 C ATOM 479 OG1 THR A 248 -9.936 -21.010 18.002 1.00 0.00 O ATOM 480 CG2 THR A 248 -11.558 -19.511 16.975 1.00 0.00 C ATOM 0 H THR A 248 -7.998 -21.295 16.576 1.00 0.00 H new ATOM 0 HA THR A 248 -10.534 -21.447 15.300 1.00 0.00 H new ATOM 0 HB THR A 248 -9.445 -19.206 17.074 1.00 0.00 H new ATOM 0 HG1 THR A 248 -10.156 -20.591 18.860 1.00 0.00 H new ATOM 0 HG21 THR A 248 -11.752 -19.053 17.945 1.00 0.00 H new ATOM 0 HG22 THR A 248 -11.683 -18.765 16.190 1.00 0.00 H new ATOM 0 HG23 THR A 248 -12.260 -20.329 16.813 1.00 0.00 H new ATOM 488 N ILE A 249 -8.551 -18.891 14.540 1.00 0.00 N ATOM 489 CA ILE A 249 -8.241 -17.791 13.619 1.00 0.00 C ATOM 490 C ILE A 249 -8.160 -18.316 12.170 1.00 0.00 C ATOM 491 O ILE A 249 -8.885 -17.835 11.292 1.00 0.00 O ATOM 492 CB ILE A 249 -6.885 -17.092 14.037 1.00 0.00 C ATOM 493 CG1 ILE A 249 -7.011 -16.414 15.445 1.00 0.00 C ATOM 494 CG2 ILE A 249 -6.401 -16.076 12.975 1.00 0.00 C ATOM 495 CD1 ILE A 249 -5.701 -15.886 16.013 1.00 0.00 C ATOM 0 H ILE A 249 -7.828 -19.036 15.245 1.00 0.00 H new ATOM 0 HA ILE A 249 -9.039 -17.051 13.673 1.00 0.00 H new ATOM 0 HB ILE A 249 -6.129 -17.875 14.101 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -7.720 -15.589 15.374 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -7.431 -17.136 16.145 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -5.467 -15.621 13.305 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -6.239 -16.590 12.027 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -7.155 -15.300 12.843 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -5.883 -15.434 16.988 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -4.993 -16.708 16.120 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -5.287 -15.137 15.338 1.00 0.00 H new ATOM 507 N GLY A 250 -7.287 -19.325 11.966 1.00 0.00 N ATOM 508 CA GLY A 250 -7.055 -19.943 10.655 1.00 0.00 C ATOM 509 C GLY A 250 -8.315 -20.578 10.075 1.00 0.00 C ATOM 510 O GLY A 250 -8.544 -20.511 8.862 1.00 0.00 O ATOM 0 H GLY A 250 -6.724 -19.731 12.713 1.00 0.00 H new ATOM 0 HA2 GLY A 250 -6.681 -19.189 9.963 1.00 0.00 H new ATOM 0 HA3 GLY A 250 -6.279 -20.703 10.748 1.00 0.00 H new ATOM 514 N ALA A 251 -9.139 -21.177 10.959 1.00 0.00 N ATOM 515 CA ALA A 251 -10.439 -21.774 10.580 1.00 0.00 C ATOM 516 C ALA A 251 -11.410 -20.703 10.058 1.00 0.00 C ATOM 517 O ALA A 251 -12.125 -20.933 9.079 1.00 0.00 O ATOM 518 CB ALA A 251 -11.058 -22.517 11.777 1.00 0.00 C ATOM 0 H ALA A 251 -8.924 -21.261 11.953 1.00 0.00 H new ATOM 0 HA ALA A 251 -10.259 -22.488 9.777 1.00 0.00 H new ATOM 0 HB1 ALA A 251 -12.014 -22.950 11.482 1.00 0.00 H new ATOM 0 HB2 ALA A 251 -10.384 -23.310 12.101 1.00 0.00 H new ATOM 0 HB3 ALA A 251 -11.215 -21.817 12.598 1.00 0.00 H new ATOM 524 N ALA A 252 -11.403 -19.526 10.715 1.00 0.00 N ATOM 525 CA ALA A 252 -12.274 -18.389 10.352 1.00 0.00 C ATOM 526 C ALA A 252 -11.822 -17.755 9.024 1.00 0.00 C ATOM 527 O ALA A 252 -12.646 -17.253 8.262 1.00 0.00 O ATOM 528 CB ALA A 252 -12.282 -17.351 11.479 1.00 0.00 C ATOM 0 H ALA A 252 -10.794 -19.336 11.511 1.00 0.00 H new ATOM 0 HA ALA A 252 -13.290 -18.759 10.215 1.00 0.00 H new ATOM 0 HB1 ALA A 252 -12.927 -16.517 11.201 1.00 0.00 H new ATOM 0 HB2 ALA A 252 -12.656 -17.810 12.394 1.00 0.00 H new ATOM 0 HB3 ALA A 252 -11.268 -16.986 11.645 1.00 0.00 H new ATOM 534 N LEU A 253 -10.502 -17.789 8.773 1.00 0.00 N ATOM 535 CA LEU A 253 -9.898 -17.299 7.517 1.00 0.00 C ATOM 536 C LEU A 253 -10.150 -18.280 6.364 1.00 0.00 C ATOM 537 O LEU A 253 -10.232 -17.873 5.202 1.00 0.00 O ATOM 538 CB LEU A 253 -8.370 -17.115 7.699 1.00 0.00 C ATOM 539 CG LEU A 253 -7.939 -16.101 8.796 1.00 0.00 C ATOM 540 CD1 LEU A 253 -6.421 -16.142 9.021 1.00 0.00 C ATOM 541 CD2 LEU A 253 -8.428 -14.673 8.471 1.00 0.00 C ATOM 0 H LEU A 253 -9.820 -18.158 9.436 1.00 0.00 H new ATOM 0 HA LEU A 253 -10.361 -16.343 7.274 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -7.931 -18.085 7.934 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -7.945 -16.795 6.747 1.00 0.00 H new ATOM 0 HG LEU A 253 -8.418 -16.399 9.729 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -6.148 -15.423 9.793 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -6.127 -17.143 9.337 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -5.909 -15.889 8.093 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -8.109 -13.991 9.259 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -8.005 -14.351 7.519 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -9.516 -14.667 8.405 1.00 0.00 H new ATOM 553 N GLY A 254 -10.258 -19.574 6.715 1.00 0.00 N ATOM 554 CA GLY A 254 -10.296 -20.662 5.737 1.00 0.00 C ATOM 555 C GLY A 254 -8.906 -21.004 5.210 1.00 0.00 C ATOM 556 O GLY A 254 -8.773 -21.562 4.119 1.00 0.00 O ATOM 0 H GLY A 254 -10.321 -19.888 7.683 1.00 0.00 H new ATOM 0 HA2 GLY A 254 -10.738 -21.547 6.196 1.00 0.00 H new ATOM 0 HA3 GLY A 254 -10.940 -20.379 4.904 1.00 0.00 H new ATOM 560 N ARG A 255 -7.867 -20.637 5.991 1.00 0.00 N ATOM 561 CA ARG A 255 -6.445 -20.839 5.648 1.00 0.00 C ATOM 562 C ARG A 255 -5.773 -21.722 6.711 1.00 0.00 C ATOM 563 O ARG A 255 -6.399 -22.067 7.718 1.00 0.00 O ATOM 564 CB ARG A 255 -5.719 -19.466 5.544 1.00 0.00 C ATOM 565 CG ARG A 255 -6.363 -18.457 4.558 1.00 0.00 C ATOM 566 CD ARG A 255 -6.416 -18.969 3.102 1.00 0.00 C ATOM 567 NE ARG A 255 -5.073 -19.272 2.561 1.00 0.00 N ATOM 568 CZ ARG A 255 -4.419 -18.558 1.626 1.00 0.00 C ATOM 569 NH1 ARG A 255 -4.873 -17.387 1.219 1.00 0.00 N ATOM 570 NH2 ARG A 255 -3.280 -19.011 1.144 1.00 0.00 N ATOM 0 H ARG A 255 -7.997 -20.183 6.895 1.00 0.00 H new ATOM 0 HA ARG A 255 -6.378 -21.340 4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 255 -5.687 -19.013 6.535 1.00 0.00 H new ATOM 0 HB3 ARG A 255 -4.687 -19.640 5.240 1.00 0.00 H new ATOM 0 HG2 ARG A 255 -7.375 -18.230 4.892 1.00 0.00 H new ATOM 0 HG3 ARG A 255 -5.801 -17.524 4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 255 -7.033 -19.866 3.058 1.00 0.00 H new ATOM 0 HD3 ARG A 255 -6.897 -18.220 2.474 1.00 0.00 H new ATOM 0 HE ARG A 255 -4.600 -20.097 2.930 1.00 0.00 H new ATOM 0 HH11 ARG A 255 -5.734 -17.008 1.614 1.00 0.00 H new ATOM 0 HH12 ARG A 255 -4.363 -16.861 0.509 1.00 0.00 H new ATOM 0 HH21 ARG A 255 -2.900 -19.896 1.479 1.00 0.00 H new ATOM 0 HH22 ARG A 255 -2.778 -18.477 0.435 1.00 0.00 H new ATOM 584 N SER A 256 -4.496 -22.076 6.480 1.00 0.00 N ATOM 585 CA SER A 256 -3.724 -22.943 7.387 1.00 0.00 C ATOM 586 C SER A 256 -3.300 -22.188 8.667 1.00 0.00 C ATOM 587 O SER A 256 -2.660 -21.132 8.599 1.00 0.00 O ATOM 588 CB SER A 256 -2.497 -23.532 6.650 1.00 0.00 C ATOM 589 OG SER A 256 -2.894 -24.300 5.519 1.00 0.00 O ATOM 0 H SER A 256 -3.971 -21.769 5.661 1.00 0.00 H new ATOM 0 HA SER A 256 -4.366 -23.767 7.699 1.00 0.00 H new ATOM 0 HB2 SER A 256 -1.839 -22.724 6.331 1.00 0.00 H new ATOM 0 HB3 SER A 256 -1.924 -24.158 7.335 1.00 0.00 H new ATOM 0 HG SER A 256 -2.099 -24.658 5.072 1.00 0.00 H new ATOM 595 N ALA A 257 -3.680 -22.764 9.827 1.00 0.00 N ATOM 596 CA ALA A 257 -3.383 -22.225 11.166 1.00 0.00 C ATOM 597 C ALA A 257 -1.869 -22.087 11.403 1.00 0.00 C ATOM 598 O ALA A 257 -1.409 -21.101 11.986 1.00 0.00 O ATOM 599 CB ALA A 257 -4.000 -23.136 12.234 1.00 0.00 C ATOM 0 H ALA A 257 -4.212 -23.634 9.857 1.00 0.00 H new ATOM 0 HA ALA A 257 -3.818 -21.228 11.233 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -3.780 -22.737 13.224 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -5.080 -23.182 12.093 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -3.579 -24.138 12.145 1.00 0.00 H new ATOM 605 N SER A 258 -1.116 -23.090 10.923 1.00 0.00 N ATOM 606 CA SER A 258 0.349 -23.145 11.039 1.00 0.00 C ATOM 607 C SER A 258 1.013 -22.015 10.228 1.00 0.00 C ATOM 608 O SER A 258 2.014 -21.449 10.657 1.00 0.00 O ATOM 609 CB SER A 258 0.845 -24.526 10.551 1.00 0.00 C ATOM 610 OG SER A 258 0.392 -24.794 9.229 1.00 0.00 O ATOM 0 H SER A 258 -1.513 -23.895 10.438 1.00 0.00 H new ATOM 0 HA SER A 258 0.627 -23.006 12.084 1.00 0.00 H new ATOM 0 HB2 SER A 258 1.934 -24.555 10.579 1.00 0.00 H new ATOM 0 HB3 SER A 258 0.488 -25.304 11.226 1.00 0.00 H new ATOM 0 HG SER A 258 0.720 -25.672 8.942 1.00 0.00 H new ATOM 616 N SER A 259 0.415 -21.687 9.066 1.00 0.00 N ATOM 617 CA SER A 259 0.956 -20.691 8.127 1.00 0.00 C ATOM 618 C SER A 259 0.710 -19.252 8.608 1.00 0.00 C ATOM 619 O SER A 259 1.577 -18.393 8.442 1.00 0.00 O ATOM 620 CB SER A 259 0.349 -20.912 6.732 1.00 0.00 C ATOM 621 OG SER A 259 0.584 -22.242 6.285 1.00 0.00 O ATOM 0 H SER A 259 -0.460 -22.108 8.753 1.00 0.00 H new ATOM 0 HA SER A 259 2.036 -20.827 8.076 1.00 0.00 H new ATOM 0 HB2 SER A 259 -0.723 -20.717 6.762 1.00 0.00 H new ATOM 0 HB3 SER A 259 0.782 -20.204 6.025 1.00 0.00 H new ATOM 0 HG SER A 259 0.189 -22.363 5.397 1.00 0.00 H new ATOM 627 N VAL A 260 -0.477 -18.992 9.198 1.00 0.00 N ATOM 628 CA VAL A 260 -0.817 -17.658 9.749 1.00 0.00 C ATOM 629 C VAL A 260 0.012 -17.388 11.029 1.00 0.00 C ATOM 630 O VAL A 260 0.487 -16.257 11.270 1.00 0.00 O ATOM 631 CB VAL A 260 -2.374 -17.507 10.013 1.00 0.00 C ATOM 632 CG1 VAL A 260 -3.179 -17.808 8.724 1.00 0.00 C ATOM 633 CG2 VAL A 260 -2.883 -18.371 11.195 1.00 0.00 C ATOM 0 H VAL A 260 -1.216 -19.686 9.306 1.00 0.00 H new ATOM 0 HA VAL A 260 -0.558 -16.904 9.006 1.00 0.00 H new ATOM 0 HB VAL A 260 -2.538 -16.469 10.302 1.00 0.00 H new ATOM 0 HG11 VAL A 260 -4.244 -17.699 8.927 1.00 0.00 H new ATOM 0 HG12 VAL A 260 -2.885 -17.110 7.940 1.00 0.00 H new ATOM 0 HG13 VAL A 260 -2.974 -18.827 8.397 1.00 0.00 H new ATOM 0 HG21 VAL A 260 -3.955 -18.220 11.321 1.00 0.00 H new ATOM 0 HG22 VAL A 260 -2.686 -19.423 10.988 1.00 0.00 H new ATOM 0 HG23 VAL A 260 -2.366 -18.078 12.109 1.00 0.00 H new ATOM 643 N LYS A 261 0.219 -18.474 11.802 1.00 0.00 N ATOM 644 CA LYS A 261 1.070 -18.492 12.995 1.00 0.00 C ATOM 645 C LYS A 261 2.520 -18.162 12.628 1.00 0.00 C ATOM 646 O LYS A 261 3.135 -17.299 13.248 1.00 0.00 O ATOM 647 CB LYS A 261 0.999 -19.895 13.644 1.00 0.00 C ATOM 648 CG LYS A 261 1.899 -20.105 14.888 1.00 0.00 C ATOM 649 CD LYS A 261 1.831 -21.560 15.397 1.00 0.00 C ATOM 650 CE LYS A 261 2.671 -21.806 16.659 1.00 0.00 C ATOM 651 NZ LYS A 261 2.578 -23.219 17.097 1.00 0.00 N ATOM 0 H LYS A 261 -0.212 -19.377 11.605 1.00 0.00 H new ATOM 0 HA LYS A 261 0.715 -17.739 13.699 1.00 0.00 H new ATOM 0 HB2 LYS A 261 -0.035 -20.092 13.929 1.00 0.00 H new ATOM 0 HB3 LYS A 261 1.270 -20.637 12.893 1.00 0.00 H new ATOM 0 HG2 LYS A 261 2.930 -19.854 14.639 1.00 0.00 H new ATOM 0 HG3 LYS A 261 1.588 -19.426 15.682 1.00 0.00 H new ATOM 0 HD2 LYS A 261 0.792 -21.816 15.606 1.00 0.00 H new ATOM 0 HD3 LYS A 261 2.171 -22.229 14.607 1.00 0.00 H new ATOM 0 HE2 LYS A 261 3.712 -21.551 16.461 1.00 0.00 H new ATOM 0 HE3 LYS A 261 2.329 -21.151 17.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 3.155 -23.356 17.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 1.587 -23.453 17.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 2.927 -23.841 16.340 1.00 0.00 H new ATOM 665 N ASP A 262 3.027 -18.856 11.594 1.00 0.00 N ATOM 666 CA ASP A 262 4.427 -18.758 11.144 1.00 0.00 C ATOM 667 C ASP A 262 4.712 -17.380 10.534 1.00 0.00 C ATOM 668 O ASP A 262 5.771 -16.810 10.766 1.00 0.00 O ATOM 669 CB ASP A 262 4.732 -19.872 10.106 1.00 0.00 C ATOM 670 CG ASP A 262 6.211 -19.945 9.680 1.00 0.00 C ATOM 671 OD1 ASP A 262 6.995 -20.665 10.335 1.00 0.00 O ATOM 672 OD2 ASP A 262 6.594 -19.289 8.686 1.00 0.00 O ATOM 0 H ASP A 262 2.470 -19.508 11.041 1.00 0.00 H new ATOM 0 HA ASP A 262 5.074 -18.889 12.011 1.00 0.00 H new ATOM 0 HB2 ASP A 262 4.437 -20.834 10.524 1.00 0.00 H new ATOM 0 HB3 ASP A 262 4.117 -19.708 9.221 1.00 0.00 H new ATOM 677 N ARG A 263 3.749 -16.859 9.751 1.00 0.00 N ATOM 678 CA ARG A 263 3.874 -15.544 9.099 1.00 0.00 C ATOM 679 C ARG A 263 3.919 -14.417 10.152 1.00 0.00 C ATOM 680 O ARG A 263 4.641 -13.439 9.973 1.00 0.00 O ATOM 681 CB ARG A 263 2.725 -15.316 8.074 1.00 0.00 C ATOM 682 CG ARG A 263 2.769 -13.957 7.313 1.00 0.00 C ATOM 683 CD ARG A 263 4.121 -13.693 6.604 1.00 0.00 C ATOM 684 NE ARG A 263 4.447 -14.700 5.575 1.00 0.00 N ATOM 685 CZ ARG A 263 5.679 -14.939 5.084 1.00 0.00 C ATOM 686 NH1 ARG A 263 6.748 -14.349 5.602 1.00 0.00 N ATOM 687 NH2 ARG A 263 5.839 -15.800 4.090 1.00 0.00 N ATOM 0 H ARG A 263 2.868 -17.335 9.554 1.00 0.00 H new ATOM 0 HA ARG A 263 4.814 -15.525 8.547 1.00 0.00 H new ATOM 0 HB2 ARG A 263 2.748 -16.124 7.342 1.00 0.00 H new ATOM 0 HB3 ARG A 263 1.773 -15.388 8.599 1.00 0.00 H new ATOM 0 HG2 ARG A 263 1.969 -13.937 6.573 1.00 0.00 H new ATOM 0 HG3 ARG A 263 2.572 -13.148 8.017 1.00 0.00 H new ATOM 0 HD2 ARG A 263 4.094 -12.706 6.141 1.00 0.00 H new ATOM 0 HD3 ARG A 263 4.916 -13.674 7.349 1.00 0.00 H new ATOM 0 HE ARG A 263 3.678 -15.260 5.206 1.00 0.00 H new ATOM 0 HH11 ARG A 263 6.645 -13.703 6.384 1.00 0.00 H new ATOM 0 HH12 ARG A 263 7.673 -14.541 5.218 1.00 0.00 H new ATOM 0 HH21 ARG A 263 5.030 -16.281 3.697 1.00 0.00 H new ATOM 0 HH22 ARG A 263 6.771 -15.982 3.718 1.00 0.00 H new ATOM 701 N CYS A 264 3.151 -14.572 11.247 1.00 0.00 N ATOM 702 CA CYS A 264 3.179 -13.615 12.377 1.00 0.00 C ATOM 703 C CYS A 264 4.429 -13.840 13.273 1.00 0.00 C ATOM 704 O CYS A 264 4.933 -12.896 13.905 1.00 0.00 O ATOM 705 CB CYS A 264 1.880 -13.720 13.208 1.00 0.00 C ATOM 706 SG CYS A 264 1.720 -12.433 14.462 1.00 0.00 S ATOM 0 H CYS A 264 2.503 -15.349 11.376 1.00 0.00 H new ATOM 0 HA CYS A 264 3.244 -12.608 11.965 1.00 0.00 H new ATOM 0 HB2 CYS A 264 1.023 -13.669 12.536 1.00 0.00 H new ATOM 0 HB3 CYS A 264 1.847 -14.695 13.694 1.00 0.00 H new ATOM 0 HG CYS A 264 0.487 -12.023 14.508 1.00 0.00 H new ATOM 712 N ARG A 265 4.920 -15.101 13.314 1.00 0.00 N ATOM 713 CA ARG A 265 6.101 -15.502 14.122 1.00 0.00 C ATOM 714 C ARG A 265 7.417 -15.061 13.437 1.00 0.00 C ATOM 715 O ARG A 265 8.456 -14.943 14.090 1.00 0.00 O ATOM 716 CB ARG A 265 6.092 -17.038 14.386 1.00 0.00 C ATOM 717 CG ARG A 265 7.102 -17.519 15.455 1.00 0.00 C ATOM 718 CD ARG A 265 7.064 -19.041 15.673 1.00 0.00 C ATOM 719 NE ARG A 265 8.071 -19.475 16.661 1.00 0.00 N ATOM 720 CZ ARG A 265 8.979 -20.454 16.489 1.00 0.00 C ATOM 721 NH1 ARG A 265 9.083 -21.097 15.334 1.00 0.00 N ATOM 722 NH2 ARG A 265 9.784 -20.780 17.475 1.00 0.00 N ATOM 0 H ARG A 265 4.509 -15.872 12.787 1.00 0.00 H new ATOM 0 HA ARG A 265 6.042 -14.994 15.085 1.00 0.00 H new ATOM 0 HB2 ARG A 265 5.089 -17.333 14.695 1.00 0.00 H new ATOM 0 HB3 ARG A 265 6.302 -17.555 13.449 1.00 0.00 H new ATOM 0 HG2 ARG A 265 8.108 -17.225 15.155 1.00 0.00 H new ATOM 0 HG3 ARG A 265 6.891 -17.017 16.399 1.00 0.00 H new ATOM 0 HD2 ARG A 265 6.071 -19.336 16.012 1.00 0.00 H new ATOM 0 HD3 ARG A 265 7.241 -19.549 14.725 1.00 0.00 H new ATOM 0 HE ARG A 265 8.080 -18.988 17.557 1.00 0.00 H new ATOM 0 HH11 ARG A 265 8.469 -20.853 14.557 1.00 0.00 H new ATOM 0 HH12 ARG A 265 9.777 -21.836 15.222 1.00 0.00 H new ATOM 0 HH21 ARG A 265 9.720 -20.292 18.368 1.00 0.00 H new ATOM 0 HH22 ARG A 265 10.473 -21.521 17.347 1.00 0.00 H new