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 236 LYS NZ :NH3+ -129:sc= 1.38 (180deg=-0.0623) USER MOD Set 1.2: A 264 CYS SG : rot -25:sc= 0.993 USER MOD Single : A 227 TYR OH : rot -111:sc= -1.61! USER MOD Single : A 228 THR OG1 : rot 180:sc= -0.747 USER MOD Single : A 234 LYS NZ :NH3+ -130:sc= -0.675 (180deg=-2.41!) USER MOD Single : A 241 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 242 HIS : no HD1:sc= -0.0908 X(o=-0.091,f=0) USER MOD Single : A 244 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 248 THR OG1 : rot 180:sc= -0.327 USER MOD Single : A 256 SER OG : rot 180:sc= 0 USER MOD Single : A 258 SER OG : rot 3:sc= 0.0631 USER MOD Single : A 259 SER OG : rot 180:sc= -1.29 USER MOD Single : A 261 LYS NZ :NH3+ -111:sc= 0.861 (180deg=-0.032) USER MOD ----------------------------------------------------------------- ATOM 114 N TYR A 227 -1.335 -14.957 -0.069 1.00 0.00 N ATOM 115 CA TYR A 227 -1.863 -14.164 1.051 1.00 0.00 C ATOM 116 C TYR A 227 -2.072 -12.686 0.632 1.00 0.00 C ATOM 117 O TYR A 227 -1.110 -11.990 0.288 1.00 0.00 O ATOM 118 CB TYR A 227 -0.895 -14.230 2.263 1.00 0.00 C ATOM 119 CG TYR A 227 -0.919 -15.552 3.052 1.00 0.00 C ATOM 120 CD1 TYR A 227 -1.859 -15.762 4.068 1.00 0.00 C ATOM 121 CD2 TYR A 227 0.002 -16.572 2.808 1.00 0.00 C ATOM 122 CE1 TYR A 227 -1.887 -16.931 4.799 1.00 0.00 C ATOM 123 CE2 TYR A 227 -0.026 -17.748 3.540 1.00 0.00 C ATOM 124 CZ TYR A 227 -0.968 -17.916 4.536 1.00 0.00 C ATOM 125 OH TYR A 227 -0.996 -19.080 5.269 1.00 0.00 O ATOM 0 HA TYR A 227 -2.826 -14.586 1.337 1.00 0.00 H new ATOM 0 HB2 TYR A 227 0.120 -14.057 1.906 1.00 0.00 H new ATOM 0 HB3 TYR A 227 -1.136 -13.414 2.945 1.00 0.00 H new ATOM 0 HD1 TYR A 227 -2.581 -14.989 4.285 1.00 0.00 H new ATOM 0 HD2 TYR A 227 0.747 -16.443 2.037 1.00 0.00 H new ATOM 0 HE1 TYR A 227 -2.627 -17.071 5.573 1.00 0.00 H new ATOM 0 HE2 TYR A 227 0.687 -18.532 3.332 1.00 0.00 H new ATOM 0 HH TYR A 227 -0.205 -19.123 5.846 1.00 0.00 H new ATOM 135 N THR A 228 -3.341 -12.252 0.636 1.00 0.00 N ATOM 136 CA THR A 228 -3.728 -10.848 0.421 1.00 0.00 C ATOM 137 C THR A 228 -3.525 -10.029 1.723 1.00 0.00 C ATOM 138 O THR A 228 -3.343 -10.625 2.794 1.00 0.00 O ATOM 139 CB THR A 228 -5.234 -10.774 -0.023 1.00 0.00 C ATOM 140 OG1 THR A 228 -6.061 -11.424 0.954 1.00 0.00 O ATOM 141 CG2 THR A 228 -5.459 -11.412 -1.403 1.00 0.00 C ATOM 0 H THR A 228 -4.136 -12.872 0.790 1.00 0.00 H new ATOM 0 HA THR A 228 -3.099 -10.426 -0.362 1.00 0.00 H new ATOM 0 HB THR A 228 -5.505 -9.721 -0.098 1.00 0.00 H new ATOM 0 HG1 THR A 228 -6.999 -11.374 0.674 1.00 0.00 H new ATOM 0 HG21 THR A 228 -6.513 -11.339 -1.670 1.00 0.00 H new ATOM 0 HG22 THR A 228 -4.859 -10.889 -2.148 1.00 0.00 H new ATOM 0 HG23 THR A 228 -5.165 -12.461 -1.371 1.00 0.00 H new ATOM 149 N PRO A 229 -3.559 -8.651 1.666 1.00 0.00 N ATOM 150 CA PRO A 229 -3.584 -7.800 2.886 1.00 0.00 C ATOM 151 C PRO A 229 -4.761 -8.145 3.833 1.00 0.00 C ATOM 152 O PRO A 229 -4.683 -7.876 5.030 1.00 0.00 O ATOM 153 CB PRO A 229 -3.706 -6.351 2.326 1.00 0.00 C ATOM 154 CG PRO A 229 -4.167 -6.529 0.909 1.00 0.00 C ATOM 155 CD PRO A 229 -3.509 -7.800 0.441 1.00 0.00 C ATOM 0 HA PRO A 229 -2.696 -7.946 3.501 1.00 0.00 H new ATOM 0 HB2 PRO A 229 -4.418 -5.762 2.903 1.00 0.00 H new ATOM 0 HB3 PRO A 229 -2.751 -5.828 2.369 1.00 0.00 H new ATOM 0 HG2 PRO A 229 -5.253 -6.604 0.854 1.00 0.00 H new ATOM 0 HG3 PRO A 229 -3.874 -5.682 0.289 1.00 0.00 H new ATOM 0 HD2 PRO A 229 -4.046 -8.254 -0.392 1.00 0.00 H new ATOM 0 HD3 PRO A 229 -2.486 -7.629 0.105 1.00 0.00 H new ATOM 163 N GLU A 230 -5.822 -8.760 3.269 1.00 0.00 N ATOM 164 CA GLU A 230 -7.021 -9.181 4.014 1.00 0.00 C ATOM 165 C GLU A 230 -6.684 -10.312 4.999 1.00 0.00 C ATOM 166 O GLU A 230 -7.170 -10.322 6.130 1.00 0.00 O ATOM 167 CB GLU A 230 -8.130 -9.666 3.037 1.00 0.00 C ATOM 168 CG GLU A 230 -8.372 -8.765 1.812 1.00 0.00 C ATOM 169 CD GLU A 230 -8.685 -7.304 2.172 1.00 0.00 C ATOM 170 OE1 GLU A 230 -9.856 -6.998 2.478 1.00 0.00 O ATOM 171 OE2 GLU A 230 -7.762 -6.458 2.146 1.00 0.00 O ATOM 0 H GLU A 230 -5.868 -8.979 2.274 1.00 0.00 H new ATOM 0 HA GLU A 230 -7.384 -8.318 4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 230 -7.870 -10.665 2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 230 -9.064 -9.756 3.591 1.00 0.00 H new ATOM 0 HG2 GLU A 230 -7.490 -8.791 1.173 1.00 0.00 H new ATOM 0 HG3 GLU A 230 -9.199 -9.172 1.230 1.00 0.00 H new ATOM 178 N GLU A 231 -5.836 -11.251 4.536 1.00 0.00 N ATOM 179 CA GLU A 231 -5.471 -12.465 5.284 1.00 0.00 C ATOM 180 C GLU A 231 -4.766 -12.114 6.601 1.00 0.00 C ATOM 181 O GLU A 231 -5.227 -12.481 7.688 1.00 0.00 O ATOM 182 CB GLU A 231 -4.556 -13.375 4.427 1.00 0.00 C ATOM 183 CG GLU A 231 -5.167 -13.849 3.094 1.00 0.00 C ATOM 184 CD GLU A 231 -6.488 -14.620 3.260 1.00 0.00 C ATOM 185 OE1 GLU A 231 -6.533 -15.580 4.063 1.00 0.00 O ATOM 186 OE2 GLU A 231 -7.464 -14.309 2.549 1.00 0.00 O ATOM 0 H GLU A 231 -5.383 -11.186 3.625 1.00 0.00 H new ATOM 0 HA GLU A 231 -6.392 -13.000 5.517 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -3.632 -12.837 4.214 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -4.286 -14.251 5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -5.340 -12.983 2.455 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -4.447 -14.486 2.580 1.00 0.00 H new ATOM 193 N ILE A 232 -3.671 -11.352 6.476 1.00 0.00 N ATOM 194 CA ILE A 232 -2.791 -11.014 7.604 1.00 0.00 C ATOM 195 C ILE A 232 -3.500 -10.044 8.585 1.00 0.00 C ATOM 196 O ILE A 232 -3.315 -10.132 9.806 1.00 0.00 O ATOM 197 CB ILE A 232 -1.405 -10.422 7.118 1.00 0.00 C ATOM 198 CG1 ILE A 232 -0.606 -11.456 6.235 1.00 0.00 C ATOM 199 CG2 ILE A 232 -0.548 -9.968 8.315 1.00 0.00 C ATOM 200 CD1 ILE A 232 -0.989 -11.504 4.769 1.00 0.00 C ATOM 0 H ILE A 232 -3.369 -10.951 5.588 1.00 0.00 H new ATOM 0 HA ILE A 232 -2.574 -11.940 8.136 1.00 0.00 H new ATOM 0 HB ILE A 232 -1.627 -9.553 6.498 1.00 0.00 H new ATOM 0 HG12 ILE A 232 0.456 -11.222 6.306 1.00 0.00 H new ATOM 0 HG13 ILE A 232 -0.743 -12.450 6.660 1.00 0.00 H new ATOM 0 HG21 ILE A 232 0.398 -9.566 7.953 1.00 0.00 H new ATOM 0 HG22 ILE A 232 -1.081 -9.197 8.872 1.00 0.00 H new ATOM 0 HG23 ILE A 232 -0.354 -10.819 8.968 1.00 0.00 H new ATOM 0 HD11 ILE A 232 -0.378 -12.248 4.257 1.00 0.00 H new ATOM 0 HD12 ILE A 232 -2.041 -11.773 4.676 1.00 0.00 H new ATOM 0 HD13 ILE A 232 -0.824 -10.526 4.318 1.00 0.00 H new ATOM 212 N GLU A 233 -4.332 -9.151 8.035 1.00 0.00 N ATOM 213 CA GLU A 233 -5.089 -8.155 8.816 1.00 0.00 C ATOM 214 C GLU A 233 -6.153 -8.835 9.700 1.00 0.00 C ATOM 215 O GLU A 233 -6.201 -8.584 10.899 1.00 0.00 O ATOM 216 CB GLU A 233 -5.751 -7.126 7.871 1.00 0.00 C ATOM 217 CG GLU A 233 -6.539 -6.005 8.581 1.00 0.00 C ATOM 218 CD GLU A 233 -7.280 -5.073 7.608 1.00 0.00 C ATOM 219 OE1 GLU A 233 -8.365 -5.463 7.121 1.00 0.00 O ATOM 220 OE2 GLU A 233 -6.796 -3.948 7.334 1.00 0.00 O ATOM 0 H GLU A 233 -4.502 -9.096 7.031 1.00 0.00 H new ATOM 0 HA GLU A 233 -4.390 -7.634 9.471 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -4.977 -6.671 7.253 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -6.426 -7.654 7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -7.260 -6.454 9.264 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -5.852 -5.414 9.187 1.00 0.00 H new ATOM 227 N LYS A 234 -6.988 -9.698 9.085 1.00 0.00 N ATOM 228 CA LYS A 234 -8.048 -10.474 9.786 1.00 0.00 C ATOM 229 C LYS A 234 -7.423 -11.440 10.820 1.00 0.00 C ATOM 230 O LYS A 234 -7.997 -11.685 11.888 1.00 0.00 O ATOM 231 CB LYS A 234 -8.899 -11.257 8.741 1.00 0.00 C ATOM 232 CG LYS A 234 -10.056 -12.130 9.300 1.00 0.00 C ATOM 233 CD LYS A 234 -11.217 -11.332 9.962 1.00 0.00 C ATOM 234 CE LYS A 234 -12.047 -10.460 8.985 1.00 0.00 C ATOM 235 NZ LYS A 234 -11.335 -9.232 8.541 1.00 0.00 N ATOM 0 H LYS A 234 -6.951 -9.882 8.082 1.00 0.00 H new ATOM 0 HA LYS A 234 -8.697 -9.784 10.325 1.00 0.00 H new ATOM 0 HB2 LYS A 234 -9.323 -10.538 8.039 1.00 0.00 H new ATOM 0 HB3 LYS A 234 -8.230 -11.902 8.171 1.00 0.00 H new ATOM 0 HG2 LYS A 234 -10.464 -12.730 8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 234 -9.646 -12.824 10.034 1.00 0.00 H new ATOM 0 HD2 LYS A 234 -11.886 -12.035 10.457 1.00 0.00 H new ATOM 0 HD3 LYS A 234 -10.801 -10.688 10.737 1.00 0.00 H new ATOM 0 HE2 LYS A 234 -12.309 -11.056 8.111 1.00 0.00 H new ATOM 0 HE3 LYS A 234 -12.982 -10.175 9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 234 -11.955 -8.406 8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 234 -10.472 -9.107 9.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 234 -11.080 -9.322 7.537 1.00 0.00 H new ATOM 249 N LEU A 235 -6.231 -11.955 10.476 1.00 0.00 N ATOM 250 CA LEU A 235 -5.402 -12.800 11.360 1.00 0.00 C ATOM 251 C LEU A 235 -5.050 -12.053 12.661 1.00 0.00 C ATOM 252 O LEU A 235 -5.335 -12.533 13.766 1.00 0.00 O ATOM 253 CB LEU A 235 -4.128 -13.313 10.563 1.00 0.00 C ATOM 254 CG LEU A 235 -2.717 -13.333 11.258 1.00 0.00 C ATOM 255 CD1 LEU A 235 -2.644 -14.371 12.400 1.00 0.00 C ATOM 256 CD2 LEU A 235 -1.602 -13.579 10.218 1.00 0.00 C ATOM 0 H LEU A 235 -5.807 -11.795 9.562 1.00 0.00 H new ATOM 0 HA LEU A 235 -5.966 -13.681 11.667 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -4.341 -14.330 10.233 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -4.038 -12.699 9.667 1.00 0.00 H new ATOM 0 HG LEU A 235 -2.564 -12.352 11.709 1.00 0.00 H new ATOM 0 HD11 LEU A 235 -1.651 -14.348 12.850 1.00 0.00 H new ATOM 0 HD12 LEU A 235 -3.391 -14.132 13.157 1.00 0.00 H new ATOM 0 HD13 LEU A 235 -2.838 -15.366 12.000 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -0.634 -13.589 10.718 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -1.767 -14.538 9.727 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -1.617 -12.783 9.473 1.00 0.00 H new ATOM 268 N LYS A 236 -4.476 -10.865 12.503 1.00 0.00 N ATOM 269 CA LYS A 236 -3.980 -10.035 13.611 1.00 0.00 C ATOM 270 C LYS A 236 -5.128 -9.306 14.342 1.00 0.00 C ATOM 271 O LYS A 236 -4.985 -8.917 15.503 1.00 0.00 O ATOM 272 CB LYS A 236 -2.906 -9.074 13.049 1.00 0.00 C ATOM 273 CG LYS A 236 -1.562 -9.786 12.728 1.00 0.00 C ATOM 274 CD LYS A 236 -0.638 -8.940 11.835 1.00 0.00 C ATOM 275 CE LYS A 236 0.758 -9.568 11.633 1.00 0.00 C ATOM 276 NZ LYS A 236 1.537 -9.641 12.897 1.00 0.00 N ATOM 0 H LYS A 236 -4.337 -10.438 11.587 1.00 0.00 H new ATOM 0 HA LYS A 236 -3.521 -10.663 14.375 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -3.287 -8.603 12.143 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -2.726 -8.278 13.771 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -1.047 -10.017 13.660 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -1.768 -10.735 12.234 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -1.111 -8.802 10.863 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -0.523 -7.950 12.277 1.00 0.00 H new ATOM 0 HE2 LYS A 236 0.646 -10.571 11.221 1.00 0.00 H new ATOM 0 HE3 LYS A 236 1.314 -8.983 10.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 2.479 -9.227 12.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 1.040 -9.113 13.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 1.638 -10.635 13.186 1.00 0.00 H new ATOM 290 N GLU A 237 -6.260 -9.152 13.651 1.00 0.00 N ATOM 291 CA GLU A 237 -7.496 -8.569 14.212 1.00 0.00 C ATOM 292 C GLU A 237 -8.109 -9.535 15.236 1.00 0.00 C ATOM 293 O GLU A 237 -8.428 -9.154 16.370 1.00 0.00 O ATOM 294 CB GLU A 237 -8.476 -8.282 13.048 1.00 0.00 C ATOM 295 CG GLU A 237 -9.879 -7.755 13.423 1.00 0.00 C ATOM 296 CD GLU A 237 -10.670 -7.276 12.189 1.00 0.00 C ATOM 297 OE1 GLU A 237 -11.024 -8.120 11.336 1.00 0.00 O ATOM 298 OE2 GLU A 237 -10.919 -6.059 12.057 1.00 0.00 O ATOM 0 H GLU A 237 -6.352 -9.430 12.674 1.00 0.00 H new ATOM 0 HA GLU A 237 -7.278 -7.635 14.730 1.00 0.00 H new ATOM 0 HB2 GLU A 237 -8.008 -7.556 12.383 1.00 0.00 H new ATOM 0 HB3 GLU A 237 -8.602 -9.202 12.477 1.00 0.00 H new ATOM 0 HG2 GLU A 237 -10.438 -8.543 13.928 1.00 0.00 H new ATOM 0 HG3 GLU A 237 -9.779 -6.932 14.130 1.00 0.00 H new ATOM 305 N LEU A 238 -8.239 -10.802 14.815 1.00 0.00 N ATOM 306 CA LEU A 238 -8.721 -11.901 15.670 1.00 0.00 C ATOM 307 C LEU A 238 -7.675 -12.284 16.725 1.00 0.00 C ATOM 308 O LEU A 238 -8.033 -12.802 17.771 1.00 0.00 O ATOM 309 CB LEU A 238 -9.123 -13.142 14.814 1.00 0.00 C ATOM 310 CG LEU A 238 -10.607 -13.195 14.323 1.00 0.00 C ATOM 311 CD1 LEU A 238 -11.000 -11.934 13.528 1.00 0.00 C ATOM 312 CD2 LEU A 238 -10.863 -14.484 13.507 1.00 0.00 C ATOM 0 H LEU A 238 -8.011 -11.096 13.865 1.00 0.00 H new ATOM 0 HA LEU A 238 -9.610 -11.547 16.192 1.00 0.00 H new ATOM 0 HB2 LEU A 238 -8.472 -13.180 13.940 1.00 0.00 H new ATOM 0 HB3 LEU A 238 -8.924 -14.040 15.399 1.00 0.00 H new ATOM 0 HG LEU A 238 -11.246 -13.217 15.205 1.00 0.00 H new ATOM 0 HD11 LEU A 238 -12.039 -12.015 13.207 1.00 0.00 H new ATOM 0 HD12 LEU A 238 -10.883 -11.054 14.161 1.00 0.00 H new ATOM 0 HD13 LEU A 238 -10.356 -11.840 12.653 1.00 0.00 H new ATOM 0 HD21 LEU A 238 -11.901 -14.504 13.174 1.00 0.00 H new ATOM 0 HD22 LEU A 238 -10.203 -14.503 12.640 1.00 0.00 H new ATOM 0 HD23 LEU A 238 -10.666 -15.355 14.132 1.00 0.00 H new ATOM 324 N ARG A 239 -6.383 -12.042 16.435 1.00 0.00 N ATOM 325 CA ARG A 239 -5.292 -12.338 17.382 1.00 0.00 C ATOM 326 C ARG A 239 -5.396 -11.449 18.642 1.00 0.00 C ATOM 327 O ARG A 239 -5.061 -11.887 19.741 1.00 0.00 O ATOM 328 CB ARG A 239 -3.913 -12.156 16.705 1.00 0.00 C ATOM 329 CG ARG A 239 -2.729 -12.646 17.560 1.00 0.00 C ATOM 330 CD ARG A 239 -1.368 -12.316 16.946 1.00 0.00 C ATOM 331 NE ARG A 239 -0.271 -12.817 17.798 1.00 0.00 N ATOM 332 CZ ARG A 239 0.802 -12.120 18.186 1.00 0.00 C ATOM 333 NH1 ARG A 239 0.953 -10.850 17.835 1.00 0.00 N ATOM 334 NH2 ARG A 239 1.716 -12.705 18.938 1.00 0.00 N ATOM 0 H ARG A 239 -6.069 -11.642 15.551 1.00 0.00 H new ATOM 0 HA ARG A 239 -5.390 -13.379 17.690 1.00 0.00 H new ATOM 0 HB2 ARG A 239 -3.911 -12.694 15.757 1.00 0.00 H new ATOM 0 HB3 ARG A 239 -3.769 -11.101 16.473 1.00 0.00 H new ATOM 0 HG2 ARG A 239 -2.793 -12.195 18.550 1.00 0.00 H new ATOM 0 HG3 ARG A 239 -2.808 -13.725 17.695 1.00 0.00 H new ATOM 0 HD2 ARG A 239 -1.295 -12.760 15.953 1.00 0.00 H new ATOM 0 HD3 ARG A 239 -1.273 -11.237 16.820 1.00 0.00 H new ATOM 0 HE ARG A 239 -0.338 -13.783 18.120 1.00 0.00 H new ATOM 0 HH11 ARG A 239 0.245 -10.392 17.261 1.00 0.00 H new ATOM 0 HH12 ARG A 239 1.777 -10.331 18.139 1.00 0.00 H new ATOM 0 HH21 ARG A 239 1.600 -13.679 19.217 1.00 0.00 H new ATOM 0 HH22 ARG A 239 2.539 -12.183 19.240 1.00 0.00 H new ATOM 348 N ILE A 240 -5.861 -10.198 18.472 1.00 0.00 N ATOM 349 CA ILE A 240 -6.149 -9.301 19.612 1.00 0.00 C ATOM 350 C ILE A 240 -7.450 -9.756 20.310 1.00 0.00 C ATOM 351 O ILE A 240 -7.488 -9.969 21.527 1.00 0.00 O ATOM 352 CB ILE A 240 -6.305 -7.799 19.153 1.00 0.00 C ATOM 353 CG1 ILE A 240 -5.020 -7.300 18.413 1.00 0.00 C ATOM 354 CG2 ILE A 240 -6.649 -6.870 20.352 1.00 0.00 C ATOM 355 CD1 ILE A 240 -5.117 -5.887 17.848 1.00 0.00 C ATOM 0 H ILE A 240 -6.046 -9.783 17.559 1.00 0.00 H new ATOM 0 HA ILE A 240 -5.306 -9.358 20.301 1.00 0.00 H new ATOM 0 HB ILE A 240 -7.138 -7.757 18.451 1.00 0.00 H new ATOM 0 HG12 ILE A 240 -4.179 -7.343 19.105 1.00 0.00 H new ATOM 0 HG13 ILE A 240 -4.797 -7.988 17.598 1.00 0.00 H new ATOM 0 HG21 ILE A 240 -6.749 -5.843 20.000 1.00 0.00 H new ATOM 0 HG22 ILE A 240 -7.587 -7.192 20.804 1.00 0.00 H new ATOM 0 HG23 ILE A 240 -5.852 -6.923 21.094 1.00 0.00 H new ATOM 0 HD11 ILE A 240 -4.181 -5.628 17.354 1.00 0.00 H new ATOM 0 HD12 ILE A 240 -5.933 -5.839 17.127 1.00 0.00 H new ATOM 0 HD13 ILE A 240 -5.306 -5.183 18.659 1.00 0.00 H new ATOM 367 N LYS A 241 -8.490 -9.935 19.488 1.00 0.00 N ATOM 368 CA LYS A 241 -9.876 -10.169 19.933 1.00 0.00 C ATOM 369 C LYS A 241 -10.090 -11.591 20.520 1.00 0.00 C ATOM 370 O LYS A 241 -11.081 -11.840 21.213 1.00 0.00 O ATOM 371 CB LYS A 241 -10.808 -9.876 18.721 1.00 0.00 C ATOM 372 CG LYS A 241 -12.326 -10.063 18.953 1.00 0.00 C ATOM 373 CD LYS A 241 -13.189 -9.450 17.816 1.00 0.00 C ATOM 374 CE LYS A 241 -12.785 -9.932 16.405 1.00 0.00 C ATOM 375 NZ LYS A 241 -13.661 -9.361 15.354 1.00 0.00 N ATOM 0 H LYS A 241 -8.394 -9.922 18.473 1.00 0.00 H new ATOM 0 HA LYS A 241 -10.116 -9.500 20.760 1.00 0.00 H new ATOM 0 HB2 LYS A 241 -10.637 -8.849 18.400 1.00 0.00 H new ATOM 0 HB3 LYS A 241 -10.507 -10.522 17.896 1.00 0.00 H new ATOM 0 HG2 LYS A 241 -12.548 -11.127 19.038 1.00 0.00 H new ATOM 0 HG3 LYS A 241 -12.603 -9.603 19.902 1.00 0.00 H new ATOM 0 HD2 LYS A 241 -14.236 -9.700 17.990 1.00 0.00 H new ATOM 0 HD3 LYS A 241 -13.110 -8.364 17.856 1.00 0.00 H new ATOM 0 HE2 LYS A 241 -11.751 -9.651 16.208 1.00 0.00 H new ATOM 0 HE3 LYS A 241 -12.833 -11.020 16.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 241 -13.357 -9.709 14.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 241 -14.645 -9.650 15.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 241 -13.596 -8.323 15.374 1.00 0.00 H new ATOM 389 N HIS A 242 -9.148 -12.511 20.265 1.00 0.00 N ATOM 390 CA HIS A 242 -9.198 -13.892 20.810 1.00 0.00 C ATOM 391 C HIS A 242 -7.964 -14.161 21.689 1.00 0.00 C ATOM 392 O HIS A 242 -8.102 -14.568 22.844 1.00 0.00 O ATOM 393 CB HIS A 242 -9.255 -14.945 19.668 1.00 0.00 C ATOM 394 CG HIS A 242 -10.586 -15.097 18.978 1.00 0.00 C ATOM 395 ND1 HIS A 242 -11.484 -16.099 19.303 1.00 0.00 N ATOM 396 CD2 HIS A 242 -11.157 -14.408 17.962 1.00 0.00 C ATOM 397 CE1 HIS A 242 -12.541 -16.008 18.523 1.00 0.00 C ATOM 398 NE2 HIS A 242 -12.368 -14.994 17.702 1.00 0.00 N ATOM 0 H HIS A 242 -8.332 -12.329 19.680 1.00 0.00 H new ATOM 0 HA HIS A 242 -10.103 -13.980 21.411 1.00 0.00 H new ATOM 0 HB2 HIS A 242 -8.508 -14.681 18.920 1.00 0.00 H new ATOM 0 HB3 HIS A 242 -8.968 -15.913 20.078 1.00 0.00 H new ATOM 0 HD2 HIS A 242 -10.736 -13.555 17.451 1.00 0.00 H new ATOM 0 HE1 HIS A 242 -13.404 -16.656 18.552 1.00 0.00 H new ATOM 0 HE2 HIS A 242 -13.030 -14.693 16.987 1.00 0.00 H new ATOM 407 N GLY A 243 -6.766 -13.899 21.137 1.00 0.00 N ATOM 408 CA GLY A 243 -5.500 -14.166 21.832 1.00 0.00 C ATOM 409 C GLY A 243 -4.753 -15.366 21.255 1.00 0.00 C ATOM 410 O GLY A 243 -4.044 -15.243 20.249 1.00 0.00 O ATOM 0 H GLY A 243 -6.651 -13.500 20.205 1.00 0.00 H new ATOM 0 HA2 GLY A 243 -4.863 -13.283 21.771 1.00 0.00 H new ATOM 0 HA3 GLY A 243 -5.700 -14.342 22.889 1.00 0.00 H new ATOM 414 N ASN A 244 -4.959 -16.543 21.874 1.00 0.00 N ATOM 415 CA ASN A 244 -4.190 -17.782 21.580 1.00 0.00 C ATOM 416 C ASN A 244 -4.908 -18.671 20.549 1.00 0.00 C ATOM 417 O ASN A 244 -4.440 -19.775 20.239 1.00 0.00 O ATOM 418 CB ASN A 244 -3.967 -18.590 22.893 1.00 0.00 C ATOM 419 CG ASN A 244 -3.267 -17.780 23.989 1.00 0.00 C ATOM 420 OD1 ASN A 244 -2.043 -17.751 24.069 1.00 0.00 O ATOM 421 ND2 ASN A 244 -4.044 -17.121 24.844 1.00 0.00 N ATOM 0 H ASN A 244 -5.666 -16.669 22.598 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.231 -17.481 21.157 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -4.930 -18.937 23.266 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -3.373 -19.476 22.670 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -3.625 -16.571 25.594 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -5.059 -17.166 24.750 1.00 0.00 H new ATOM 428 N ASP A 245 -6.017 -18.169 20.001 1.00 0.00 N ATOM 429 CA ASP A 245 -6.919 -18.941 19.130 1.00 0.00 C ATOM 430 C ASP A 245 -6.442 -18.898 17.662 1.00 0.00 C ATOM 431 O ASP A 245 -7.176 -18.446 16.780 1.00 0.00 O ATOM 432 CB ASP A 245 -8.369 -18.388 19.247 1.00 0.00 C ATOM 433 CG ASP A 245 -8.970 -18.429 20.666 1.00 0.00 C ATOM 434 OD1 ASP A 245 -8.365 -17.852 21.603 1.00 0.00 O ATOM 435 OD2 ASP A 245 -10.077 -18.977 20.836 1.00 0.00 O ATOM 0 H ASP A 245 -6.321 -17.206 20.148 1.00 0.00 H new ATOM 0 HA ASP A 245 -6.907 -19.981 19.456 1.00 0.00 H new ATOM 0 HB2 ASP A 245 -8.378 -17.357 18.895 1.00 0.00 H new ATOM 0 HB3 ASP A 245 -9.014 -18.958 18.579 1.00 0.00 H new ATOM 440 N TRP A 246 -5.210 -19.390 17.414 1.00 0.00 N ATOM 441 CA TRP A 246 -4.637 -19.498 16.051 1.00 0.00 C ATOM 442 C TRP A 246 -5.475 -20.449 15.184 1.00 0.00 C ATOM 443 O TRP A 246 -5.549 -20.291 13.962 1.00 0.00 O ATOM 444 CB TRP A 246 -3.182 -20.013 16.105 1.00 0.00 C ATOM 445 CG TRP A 246 -2.223 -19.143 16.885 1.00 0.00 C ATOM 446 CD1 TRP A 246 -1.713 -19.377 18.136 1.00 0.00 C ATOM 447 CD2 TRP A 246 -1.638 -17.907 16.444 1.00 0.00 C ATOM 448 NE1 TRP A 246 -0.837 -18.379 18.482 1.00 0.00 N ATOM 449 CE2 TRP A 246 -0.776 -17.466 17.466 1.00 0.00 C ATOM 450 CE3 TRP A 246 -1.759 -17.131 15.286 1.00 0.00 C ATOM 451 CZ2 TRP A 246 -0.030 -16.300 17.357 1.00 0.00 C ATOM 452 CZ3 TRP A 246 -1.015 -15.972 15.182 1.00 0.00 C ATOM 453 CH2 TRP A 246 -0.163 -15.567 16.211 1.00 0.00 C ATOM 0 H TRP A 246 -4.585 -19.723 18.148 1.00 0.00 H new ATOM 0 HA TRP A 246 -4.648 -18.501 15.610 1.00 0.00 H new ATOM 0 HB2 TRP A 246 -3.182 -21.011 16.544 1.00 0.00 H new ATOM 0 HB3 TRP A 246 -2.810 -20.113 15.085 1.00 0.00 H new ATOM 0 HD1 TRP A 246 -1.964 -20.223 18.758 1.00 0.00 H new ATOM 0 HE1 TRP A 246 -0.315 -18.327 19.357 1.00 0.00 H new ATOM 0 HE3 TRP A 246 -2.422 -17.433 14.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 246 0.632 -15.983 18.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 246 -1.094 -15.369 14.290 1.00 0.00 H new ATOM 0 HH2 TRP A 246 0.404 -14.654 16.099 1.00 0.00 H new ATOM 464 N ALA A 247 -6.081 -21.451 15.848 1.00 0.00 N ATOM 465 CA ALA A 247 -6.990 -22.418 15.216 1.00 0.00 C ATOM 466 C ALA A 247 -8.256 -21.721 14.691 1.00 0.00 C ATOM 467 O ALA A 247 -8.722 -22.011 13.589 1.00 0.00 O ATOM 468 CB ALA A 247 -7.341 -23.534 16.215 1.00 0.00 C ATOM 0 H ALA A 247 -5.950 -21.611 16.847 1.00 0.00 H new ATOM 0 HA ALA A 247 -6.487 -22.866 14.359 1.00 0.00 H new ATOM 0 HB1 ALA A 247 -8.015 -24.248 15.741 1.00 0.00 H new ATOM 0 HB2 ALA A 247 -6.429 -24.046 16.524 1.00 0.00 H new ATOM 0 HB3 ALA A 247 -7.828 -23.100 17.089 1.00 0.00 H new ATOM 474 N THR A 248 -8.783 -20.781 15.492 1.00 0.00 N ATOM 475 CA THR A 248 -10.009 -20.033 15.167 1.00 0.00 C ATOM 476 C THR A 248 -9.725 -18.952 14.096 1.00 0.00 C ATOM 477 O THR A 248 -10.601 -18.616 13.285 1.00 0.00 O ATOM 478 CB THR A 248 -10.601 -19.387 16.457 1.00 0.00 C ATOM 479 OG1 THR A 248 -10.597 -20.366 17.514 1.00 0.00 O ATOM 480 CG2 THR A 248 -12.037 -18.868 16.248 1.00 0.00 C ATOM 0 H THR A 248 -8.370 -20.517 16.386 1.00 0.00 H new ATOM 0 HA THR A 248 -10.741 -20.729 14.757 1.00 0.00 H new ATOM 0 HB THR A 248 -9.979 -18.530 16.716 1.00 0.00 H new ATOM 0 HG1 THR A 248 -10.966 -19.968 18.330 1.00 0.00 H new ATOM 0 HG21 THR A 248 -12.403 -18.428 17.175 1.00 0.00 H new ATOM 0 HG22 THR A 248 -12.040 -18.113 15.462 1.00 0.00 H new ATOM 0 HG23 THR A 248 -12.685 -19.696 15.959 1.00 0.00 H new ATOM 488 N ILE A 249 -8.484 -18.429 14.102 1.00 0.00 N ATOM 489 CA ILE A 249 -7.994 -17.484 13.082 1.00 0.00 C ATOM 490 C ILE A 249 -7.925 -18.193 11.710 1.00 0.00 C ATOM 491 O ILE A 249 -8.486 -17.711 10.714 1.00 0.00 O ATOM 492 CB ILE A 249 -6.572 -16.915 13.479 1.00 0.00 C ATOM 493 CG1 ILE A 249 -6.655 -16.040 14.777 1.00 0.00 C ATOM 494 CG2 ILE A 249 -5.934 -16.128 12.323 1.00 0.00 C ATOM 495 CD1 ILE A 249 -5.309 -15.641 15.378 1.00 0.00 C ATOM 0 H ILE A 249 -7.791 -18.651 14.817 1.00 0.00 H new ATOM 0 HA ILE A 249 -8.687 -16.645 13.019 1.00 0.00 H new ATOM 0 HB ILE A 249 -5.927 -17.769 13.689 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -7.217 -15.134 14.550 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -7.223 -16.587 15.529 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -4.959 -15.753 12.633 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -5.813 -16.783 11.460 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -6.577 -15.290 12.055 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -5.474 -15.038 16.271 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -4.749 -16.538 15.643 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -4.742 -15.062 14.649 1.00 0.00 H new ATOM 507 N GLY A 250 -7.251 -19.360 11.698 1.00 0.00 N ATOM 508 CA GLY A 250 -7.125 -20.195 10.500 1.00 0.00 C ATOM 509 C GLY A 250 -8.474 -20.687 9.991 1.00 0.00 C ATOM 510 O GLY A 250 -8.677 -20.829 8.789 1.00 0.00 O ATOM 0 H GLY A 250 -6.782 -19.744 12.518 1.00 0.00 H new ATOM 0 HA2 GLY A 250 -6.629 -19.626 9.714 1.00 0.00 H new ATOM 0 HA3 GLY A 250 -6.489 -21.052 10.723 1.00 0.00 H new ATOM 514 N ALA A 251 -9.400 -20.932 10.934 1.00 0.00 N ATOM 515 CA ALA A 251 -10.784 -21.349 10.632 1.00 0.00 C ATOM 516 C ALA A 251 -11.549 -20.236 9.889 1.00 0.00 C ATOM 517 O ALA A 251 -12.242 -20.497 8.898 1.00 0.00 O ATOM 518 CB ALA A 251 -11.508 -21.730 11.932 1.00 0.00 C ATOM 0 H ALA A 251 -9.210 -20.846 11.933 1.00 0.00 H new ATOM 0 HA ALA A 251 -10.749 -22.220 9.977 1.00 0.00 H new ATOM 0 HB1 ALA A 251 -12.529 -22.037 11.704 1.00 0.00 H new ATOM 0 HB2 ALA A 251 -10.981 -22.553 12.414 1.00 0.00 H new ATOM 0 HB3 ALA A 251 -11.529 -20.871 12.602 1.00 0.00 H new ATOM 524 N ALA A 252 -11.390 -18.993 10.375 1.00 0.00 N ATOM 525 CA ALA A 252 -12.071 -17.802 9.825 1.00 0.00 C ATOM 526 C ALA A 252 -11.550 -17.441 8.419 1.00 0.00 C ATOM 527 O ALA A 252 -12.311 -16.990 7.554 1.00 0.00 O ATOM 528 CB ALA A 252 -11.884 -16.617 10.782 1.00 0.00 C ATOM 0 H ALA A 252 -10.782 -18.782 11.166 1.00 0.00 H new ATOM 0 HA ALA A 252 -13.132 -18.033 9.728 1.00 0.00 H new ATOM 0 HB1 ALA A 252 -12.386 -15.739 10.376 1.00 0.00 H new ATOM 0 HB2 ALA A 252 -12.312 -16.863 11.754 1.00 0.00 H new ATOM 0 HB3 ALA A 252 -10.821 -16.406 10.897 1.00 0.00 H new ATOM 534 N LEU A 253 -10.241 -17.641 8.214 1.00 0.00 N ATOM 535 CA LEU A 253 -9.554 -17.330 6.944 1.00 0.00 C ATOM 536 C LEU A 253 -9.671 -18.478 5.927 1.00 0.00 C ATOM 537 O LEU A 253 -9.626 -18.238 4.713 1.00 0.00 O ATOM 538 CB LEU A 253 -8.072 -17.008 7.246 1.00 0.00 C ATOM 539 CG LEU A 253 -7.840 -15.646 7.977 1.00 0.00 C ATOM 540 CD1 LEU A 253 -6.435 -15.562 8.595 1.00 0.00 C ATOM 541 CD2 LEU A 253 -8.099 -14.464 7.013 1.00 0.00 C ATOM 0 H LEU A 253 -9.621 -18.026 8.927 1.00 0.00 H new ATOM 0 HA LEU A 253 -10.036 -16.465 6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -7.657 -17.809 7.857 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -7.516 -17.002 6.308 1.00 0.00 H new ATOM 0 HG LEU A 253 -8.554 -15.583 8.799 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -6.314 -14.600 9.094 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -6.308 -16.365 9.321 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -5.686 -15.661 7.810 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -7.933 -13.523 7.538 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -7.418 -14.531 6.164 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -9.128 -14.504 6.657 1.00 0.00 H new ATOM 553 N GLY A 254 -9.852 -19.712 6.427 1.00 0.00 N ATOM 554 CA GLY A 254 -9.863 -20.906 5.575 1.00 0.00 C ATOM 555 C GLY A 254 -8.456 -21.402 5.249 1.00 0.00 C ATOM 556 O GLY A 254 -8.221 -21.981 4.185 1.00 0.00 O ATOM 0 H GLY A 254 -9.993 -19.905 7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 254 -10.419 -21.700 6.074 1.00 0.00 H new ATOM 0 HA3 GLY A 254 -10.390 -20.682 4.648 1.00 0.00 H new ATOM 560 N ARG A 255 -7.513 -21.126 6.169 1.00 0.00 N ATOM 561 CA ARG A 255 -6.110 -21.599 6.109 1.00 0.00 C ATOM 562 C ARG A 255 -5.876 -22.563 7.295 1.00 0.00 C ATOM 563 O ARG A 255 -6.817 -22.888 8.032 1.00 0.00 O ATOM 564 CB ARG A 255 -5.109 -20.383 6.173 1.00 0.00 C ATOM 565 CG ARG A 255 -5.519 -19.147 5.326 1.00 0.00 C ATOM 566 CD ARG A 255 -5.693 -19.446 3.824 1.00 0.00 C ATOM 567 NE ARG A 255 -6.337 -18.319 3.120 1.00 0.00 N ATOM 568 CZ ARG A 255 -7.451 -18.395 2.375 1.00 0.00 C ATOM 569 NH1 ARG A 255 -8.024 -19.569 2.114 1.00 0.00 N ATOM 570 NH2 ARG A 255 -8.002 -17.283 1.905 1.00 0.00 N ATOM 0 H ARG A 255 -7.705 -20.557 6.993 1.00 0.00 H new ATOM 0 HA ARG A 255 -5.932 -22.118 5.167 1.00 0.00 H new ATOM 0 HB2 ARG A 255 -5.004 -20.073 7.213 1.00 0.00 H new ATOM 0 HB3 ARG A 255 -4.128 -20.722 5.841 1.00 0.00 H new ATOM 0 HG2 ARG A 255 -6.454 -18.746 5.717 1.00 0.00 H new ATOM 0 HG3 ARG A 255 -4.764 -18.370 5.446 1.00 0.00 H new ATOM 0 HD2 ARG A 255 -4.720 -19.648 3.377 1.00 0.00 H new ATOM 0 HD3 ARG A 255 -6.294 -20.346 3.698 1.00 0.00 H new ATOM 0 HE ARG A 255 -5.897 -17.403 3.207 1.00 0.00 H new ATOM 0 HH11 ARG A 255 -7.616 -20.428 2.482 1.00 0.00 H new ATOM 0 HH12 ARG A 255 -8.870 -19.608 1.546 1.00 0.00 H new ATOM 0 HH21 ARG A 255 -7.579 -16.378 2.111 1.00 0.00 H new ATOM 0 HH22 ARG A 255 -8.849 -17.333 1.338 1.00 0.00 H new ATOM 584 N SER A 256 -4.634 -23.041 7.467 1.00 0.00 N ATOM 585 CA SER A 256 -4.246 -23.829 8.655 1.00 0.00 C ATOM 586 C SER A 256 -3.896 -22.889 9.830 1.00 0.00 C ATOM 587 O SER A 256 -3.548 -21.712 9.615 1.00 0.00 O ATOM 588 CB SER A 256 -3.047 -24.756 8.346 1.00 0.00 C ATOM 589 OG SER A 256 -3.359 -25.689 7.333 1.00 0.00 O ATOM 0 H SER A 256 -3.877 -22.897 6.799 1.00 0.00 H new ATOM 0 HA SER A 256 -5.095 -24.452 8.935 1.00 0.00 H new ATOM 0 HB2 SER A 256 -2.192 -24.155 8.037 1.00 0.00 H new ATOM 0 HB3 SER A 256 -2.753 -25.286 9.252 1.00 0.00 H new ATOM 0 HG SER A 256 -2.580 -26.258 7.161 1.00 0.00 H new ATOM 595 N ALA A 257 -3.984 -23.427 11.062 1.00 0.00 N ATOM 596 CA ALA A 257 -3.608 -22.701 12.286 1.00 0.00 C ATOM 597 C ALA A 257 -2.118 -22.355 12.252 1.00 0.00 C ATOM 598 O ALA A 257 -1.736 -21.230 12.553 1.00 0.00 O ATOM 599 CB ALA A 257 -3.929 -23.545 13.524 1.00 0.00 C ATOM 0 H ALA A 257 -4.317 -24.375 11.234 1.00 0.00 H new ATOM 0 HA ALA A 257 -4.183 -21.777 12.338 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -3.646 -22.996 14.422 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -4.997 -23.759 13.551 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -3.372 -24.481 13.480 1.00 0.00 H new ATOM 605 N SER A 258 -1.297 -23.340 11.844 1.00 0.00 N ATOM 606 CA SER A 258 0.159 -23.177 11.727 1.00 0.00 C ATOM 607 C SER A 258 0.527 -22.179 10.605 1.00 0.00 C ATOM 608 O SER A 258 1.501 -21.446 10.731 1.00 0.00 O ATOM 609 CB SER A 258 0.829 -24.546 11.470 1.00 0.00 C ATOM 610 OG SER A 258 2.252 -24.465 11.513 1.00 0.00 O ATOM 0 H SER A 258 -1.627 -24.270 11.587 1.00 0.00 H new ATOM 0 HA SER A 258 0.529 -22.770 12.668 1.00 0.00 H new ATOM 0 HB2 SER A 258 0.485 -25.263 12.215 1.00 0.00 H new ATOM 0 HB3 SER A 258 0.517 -24.924 10.496 1.00 0.00 H new ATOM 0 HG SER A 258 2.521 -23.553 11.752 1.00 0.00 H new ATOM 616 N SER A 259 -0.271 -22.164 9.517 1.00 0.00 N ATOM 617 CA SER A 259 -0.041 -21.269 8.363 1.00 0.00 C ATOM 618 C SER A 259 -0.108 -19.783 8.787 1.00 0.00 C ATOM 619 O SER A 259 0.824 -19.009 8.539 1.00 0.00 O ATOM 620 CB SER A 259 -1.067 -21.572 7.246 1.00 0.00 C ATOM 621 OG SER A 259 -0.933 -22.901 6.763 1.00 0.00 O ATOM 0 H SER A 259 -1.087 -22.767 9.413 1.00 0.00 H new ATOM 0 HA SER A 259 0.961 -21.454 7.977 1.00 0.00 H new ATOM 0 HB2 SER A 259 -2.077 -21.423 7.628 1.00 0.00 H new ATOM 0 HB3 SER A 259 -0.930 -20.869 6.424 1.00 0.00 H new ATOM 0 HG SER A 259 -1.596 -23.062 6.060 1.00 0.00 H new ATOM 627 N VAL A 260 -1.208 -19.417 9.470 1.00 0.00 N ATOM 628 CA VAL A 260 -1.447 -18.039 9.944 1.00 0.00 C ATOM 629 C VAL A 260 -0.580 -17.701 11.178 1.00 0.00 C ATOM 630 O VAL A 260 -0.216 -16.533 11.389 1.00 0.00 O ATOM 631 CB VAL A 260 -2.973 -17.807 10.253 1.00 0.00 C ATOM 632 CG1 VAL A 260 -3.821 -18.004 8.970 1.00 0.00 C ATOM 633 CG2 VAL A 260 -3.479 -18.720 11.405 1.00 0.00 C ATOM 0 H VAL A 260 -1.957 -20.067 9.709 1.00 0.00 H new ATOM 0 HA VAL A 260 -1.153 -17.363 9.141 1.00 0.00 H new ATOM 0 HB VAL A 260 -3.089 -16.777 10.591 1.00 0.00 H new ATOM 0 HG11 VAL A 260 -4.874 -17.840 9.201 1.00 0.00 H new ATOM 0 HG12 VAL A 260 -3.501 -17.292 8.209 1.00 0.00 H new ATOM 0 HG13 VAL A 260 -3.685 -19.019 8.596 1.00 0.00 H new ATOM 0 HG21 VAL A 260 -4.537 -18.527 11.585 1.00 0.00 H new ATOM 0 HG22 VAL A 260 -3.343 -19.765 11.127 1.00 0.00 H new ATOM 0 HG23 VAL A 260 -2.912 -18.509 12.312 1.00 0.00 H new ATOM 643 N LYS A 261 -0.239 -18.735 11.973 1.00 0.00 N ATOM 644 CA LYS A 261 0.599 -18.580 13.177 1.00 0.00 C ATOM 645 C LYS A 261 2.013 -18.142 12.784 1.00 0.00 C ATOM 646 O LYS A 261 2.514 -17.125 13.265 1.00 0.00 O ATOM 647 CB LYS A 261 0.641 -19.906 13.978 1.00 0.00 C ATOM 648 CG LYS A 261 1.434 -19.847 15.301 1.00 0.00 C ATOM 649 CD LYS A 261 1.415 -21.185 16.081 1.00 0.00 C ATOM 650 CE LYS A 261 1.956 -22.377 15.259 1.00 0.00 C ATOM 651 NZ LYS A 261 3.349 -22.157 14.787 1.00 0.00 N ATOM 0 H LYS A 261 -0.535 -19.695 11.799 1.00 0.00 H new ATOM 0 HA LYS A 261 0.162 -17.809 13.812 1.00 0.00 H new ATOM 0 HB2 LYS A 261 -0.382 -20.212 14.199 1.00 0.00 H new ATOM 0 HB3 LYS A 261 1.076 -20.681 13.346 1.00 0.00 H new ATOM 0 HG2 LYS A 261 2.467 -19.573 15.087 1.00 0.00 H new ATOM 0 HG3 LYS A 261 1.020 -19.060 15.931 1.00 0.00 H new ATOM 0 HD2 LYS A 261 2.010 -21.078 16.988 1.00 0.00 H new ATOM 0 HD3 LYS A 261 0.393 -21.401 16.394 1.00 0.00 H new ATOM 0 HE2 LYS A 261 1.920 -23.280 15.868 1.00 0.00 H new ATOM 0 HE3 LYS A 261 1.307 -22.546 14.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 3.351 -22.037 13.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 3.737 -21.302 15.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 3.935 -22.978 15.041 1.00 0.00 H new ATOM 665 N ASP A 262 2.620 -18.913 11.874 1.00 0.00 N ATOM 666 CA ASP A 262 3.969 -18.653 11.345 1.00 0.00 C ATOM 667 C ASP A 262 3.973 -17.428 10.416 1.00 0.00 C ATOM 668 O ASP A 262 5.012 -16.791 10.252 1.00 0.00 O ATOM 669 CB ASP A 262 4.539 -19.910 10.634 1.00 0.00 C ATOM 670 CG ASP A 262 4.881 -21.044 11.628 1.00 0.00 C ATOM 671 OD1 ASP A 262 3.985 -21.846 11.988 1.00 0.00 O ATOM 672 OD2 ASP A 262 6.045 -21.122 12.072 1.00 0.00 O ATOM 0 H ASP A 262 2.185 -19.746 11.478 1.00 0.00 H new ATOM 0 HA ASP A 262 4.623 -18.426 12.187 1.00 0.00 H new ATOM 0 HB2 ASP A 262 3.813 -20.274 9.907 1.00 0.00 H new ATOM 0 HB3 ASP A 262 5.435 -19.635 10.078 1.00 0.00 H new ATOM 677 N ARG A 263 2.814 -17.115 9.798 1.00 0.00 N ATOM 678 CA ARG A 263 2.637 -15.869 9.008 1.00 0.00 C ATOM 679 C ARG A 263 2.828 -14.627 9.910 1.00 0.00 C ATOM 680 O ARG A 263 3.529 -13.684 9.537 1.00 0.00 O ATOM 681 CB ARG A 263 1.234 -15.845 8.328 1.00 0.00 C ATOM 682 CG ARG A 263 1.003 -14.697 7.312 1.00 0.00 C ATOM 683 CD ARG A 263 2.053 -14.681 6.179 1.00 0.00 C ATOM 684 NE ARG A 263 2.215 -16.008 5.548 1.00 0.00 N ATOM 685 CZ ARG A 263 3.188 -16.350 4.698 1.00 0.00 C ATOM 686 NH1 ARG A 263 4.088 -15.468 4.284 1.00 0.00 N ATOM 687 NH2 ARG A 263 3.253 -17.593 4.261 1.00 0.00 N ATOM 0 H ARG A 263 1.984 -17.706 9.829 1.00 0.00 H new ATOM 0 HA ARG A 263 3.395 -15.846 8.225 1.00 0.00 H new ATOM 0 HB2 ARG A 263 1.081 -16.795 7.816 1.00 0.00 H new ATOM 0 HB3 ARG A 263 0.474 -15.776 9.106 1.00 0.00 H new ATOM 0 HG2 ARG A 263 0.008 -14.797 6.878 1.00 0.00 H new ATOM 0 HG3 ARG A 263 1.027 -13.742 7.837 1.00 0.00 H new ATOM 0 HD2 ARG A 263 1.757 -13.955 5.422 1.00 0.00 H new ATOM 0 HD3 ARG A 263 3.012 -14.352 6.579 1.00 0.00 H new ATOM 0 HE ARG A 263 1.526 -16.723 5.781 1.00 0.00 H new ATOM 0 HH11 ARG A 263 4.047 -14.504 4.615 1.00 0.00 H new ATOM 0 HH12 ARG A 263 4.821 -15.754 3.635 1.00 0.00 H new ATOM 0 HH21 ARG A 263 2.566 -18.280 4.572 1.00 0.00 H new ATOM 0 HH22 ARG A 263 3.990 -17.868 3.612 1.00 0.00 H new ATOM 701 N CYS A 264 2.214 -14.662 11.107 1.00 0.00 N ATOM 702 CA CYS A 264 2.287 -13.557 12.090 1.00 0.00 C ATOM 703 C CYS A 264 3.615 -13.571 12.882 1.00 0.00 C ATOM 704 O CYS A 264 4.116 -12.511 13.281 1.00 0.00 O ATOM 705 CB CYS A 264 1.094 -13.644 13.061 1.00 0.00 C ATOM 706 SG CYS A 264 0.997 -12.304 14.278 1.00 0.00 S ATOM 0 H CYS A 264 1.654 -15.454 11.423 1.00 0.00 H new ATOM 0 HA CYS A 264 2.246 -12.619 11.537 1.00 0.00 H new ATOM 0 HB2 CYS A 264 0.172 -13.654 12.480 1.00 0.00 H new ATOM 0 HB3 CYS A 264 1.146 -14.594 13.593 1.00 0.00 H new ATOM 0 HG CYS A 264 2.183 -11.807 14.472 1.00 0.00 H new ATOM 712 N ARG A 265 4.165 -14.779 13.115 1.00 0.00 N ATOM 713 CA ARG A 265 5.397 -14.975 13.915 1.00 0.00 C ATOM 714 C ARG A 265 6.638 -14.523 13.132 1.00 0.00 C ATOM 715 O ARG A 265 7.512 -13.835 13.678 1.00 0.00 O ATOM 716 CB ARG A 265 5.535 -16.462 14.339 1.00 0.00 C ATOM 717 CG ARG A 265 6.825 -16.846 15.133 1.00 0.00 C ATOM 718 CD ARG A 265 6.882 -16.277 16.570 1.00 0.00 C ATOM 719 NE ARG A 265 7.048 -14.806 16.603 1.00 0.00 N ATOM 720 CZ ARG A 265 6.368 -13.959 17.389 1.00 0.00 C ATOM 721 NH1 ARG A 265 5.453 -14.399 18.241 1.00 0.00 N ATOM 722 NH2 ARG A 265 6.610 -12.668 17.314 1.00 0.00 N ATOM 0 H ARG A 265 3.770 -15.648 12.755 1.00 0.00 H new ATOM 0 HA ARG A 265 5.321 -14.361 14.812 1.00 0.00 H new ATOM 0 HB2 ARG A 265 4.670 -16.725 14.947 1.00 0.00 H new ATOM 0 HB3 ARG A 265 5.492 -17.078 13.441 1.00 0.00 H new ATOM 0 HG2 ARG A 265 6.897 -17.933 15.182 1.00 0.00 H new ATOM 0 HG3 ARG A 265 7.696 -16.493 14.580 1.00 0.00 H new ATOM 0 HD2 ARG A 265 5.967 -16.546 17.098 1.00 0.00 H new ATOM 0 HD3 ARG A 265 7.708 -16.743 17.107 1.00 0.00 H new ATOM 0 HE ARG A 265 7.740 -14.402 15.973 1.00 0.00 H new ATOM 0 HH11 ARG A 265 5.256 -15.398 18.307 1.00 0.00 H new ATOM 0 HH12 ARG A 265 4.946 -13.739 18.831 1.00 0.00 H new ATOM 0 HH21 ARG A 265 7.311 -12.318 16.661 1.00 0.00 H new ATOM 0 HH22 ARG A 265 6.097 -12.018 17.909 1.00 0.00 H new