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 Single : A 227 TYR OH : rot 180:sc= 0 USER MOD Single : A 228 THR OG1 : rot -47:sc= 0.263 USER MOD Single : A 234 LYS NZ :NH3+ 175:sc=-0.00139 (180deg=-0.0228) USER MOD Single : A 236 LYS NZ :NH3+ -154:sc= 0.373 (180deg=0.125) USER MOD Single : A 241 LYS NZ :NH3+ 170:sc=-0.00881 (180deg=-0.116) USER MOD Single : A 242 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 244 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.046) 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 258 SER OG : rot 180:sc= 0 USER MOD Single : A 259 SER OG : rot 180:sc= -0.102 USER MOD Single : A 261 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00739) USER MOD Single : A 264 CYS SG : rot 87:sc= -7.88! USER MOD ----------------------------------------------------------------- ATOM 114 N TYR A 227 -1.437 -15.749 -0.186 1.00 0.00 N ATOM 115 CA TYR A 227 -2.365 -14.926 0.604 1.00 0.00 C ATOM 116 C TYR A 227 -2.502 -13.536 -0.041 1.00 0.00 C ATOM 117 O TYR A 227 -1.854 -13.226 -1.050 1.00 0.00 O ATOM 118 CB TYR A 227 -1.836 -14.761 2.058 1.00 0.00 C ATOM 119 CG TYR A 227 -1.703 -16.060 2.875 1.00 0.00 C ATOM 120 CD1 TYR A 227 -0.648 -16.951 2.650 1.00 0.00 C ATOM 121 CD2 TYR A 227 -2.612 -16.377 3.886 1.00 0.00 C ATOM 122 CE1 TYR A 227 -0.522 -18.109 3.387 1.00 0.00 C ATOM 123 CE2 TYR A 227 -2.479 -17.530 4.625 1.00 0.00 C ATOM 124 CZ TYR A 227 -1.435 -18.386 4.379 1.00 0.00 C ATOM 125 OH TYR A 227 -1.310 -19.531 5.123 1.00 0.00 O ATOM 0 HA TYR A 227 -3.336 -15.421 0.628 1.00 0.00 H new ATOM 0 HB2 TYR A 227 -0.859 -14.279 2.017 1.00 0.00 H new ATOM 0 HB3 TYR A 227 -2.503 -14.085 2.593 1.00 0.00 H new ATOM 0 HD1 TYR A 227 0.081 -16.727 1.885 1.00 0.00 H new ATOM 0 HD2 TYR A 227 -3.433 -15.706 4.091 1.00 0.00 H new ATOM 0 HE1 TYR A 227 0.288 -18.795 3.187 1.00 0.00 H new ATOM 0 HE2 TYR A 227 -3.196 -17.761 5.399 1.00 0.00 H new ATOM 0 HH TYR A 227 -2.035 -19.574 5.781 1.00 0.00 H new ATOM 135 N THR A 228 -3.362 -12.718 0.558 1.00 0.00 N ATOM 136 CA THR A 228 -3.454 -11.267 0.304 1.00 0.00 C ATOM 137 C THR A 228 -3.323 -10.546 1.668 1.00 0.00 C ATOM 138 O THR A 228 -3.509 -11.201 2.710 1.00 0.00 O ATOM 139 CB THR A 228 -4.805 -10.881 -0.411 1.00 0.00 C ATOM 140 OG1 THR A 228 -5.932 -11.324 0.355 1.00 0.00 O ATOM 141 CG2 THR A 228 -4.890 -11.453 -1.839 1.00 0.00 C ATOM 0 H THR A 228 -4.035 -13.045 1.252 1.00 0.00 H new ATOM 0 HA THR A 228 -2.655 -10.960 -0.371 1.00 0.00 H new ATOM 0 HB THR A 228 -4.823 -9.794 -0.483 1.00 0.00 H new ATOM 0 HG1 THR A 228 -5.794 -12.254 0.632 1.00 0.00 H new ATOM 0 HG21 THR A 228 -5.838 -11.161 -2.292 1.00 0.00 H new ATOM 0 HG22 THR A 228 -4.067 -11.063 -2.437 1.00 0.00 H new ATOM 0 HG23 THR A 228 -4.826 -12.540 -1.800 1.00 0.00 H new ATOM 149 N PRO A 229 -2.999 -9.201 1.710 1.00 0.00 N ATOM 150 CA PRO A 229 -2.905 -8.420 2.991 1.00 0.00 C ATOM 151 C PRO A 229 -4.177 -8.522 3.871 1.00 0.00 C ATOM 152 O PRO A 229 -4.115 -8.274 5.078 1.00 0.00 O ATOM 153 CB PRO A 229 -2.666 -6.952 2.509 1.00 0.00 C ATOM 154 CG PRO A 229 -3.063 -6.954 1.058 1.00 0.00 C ATOM 155 CD PRO A 229 -2.692 -8.323 0.542 1.00 0.00 C ATOM 0 HA PRO A 229 -2.113 -8.804 3.634 1.00 0.00 H new ATOM 0 HB2 PRO A 229 -3.266 -6.245 3.082 1.00 0.00 H new ATOM 0 HB3 PRO A 229 -1.623 -6.660 2.633 1.00 0.00 H new ATOM 0 HG2 PRO A 229 -4.131 -6.767 0.943 1.00 0.00 H new ATOM 0 HG3 PRO A 229 -2.541 -6.172 0.507 1.00 0.00 H new ATOM 0 HD2 PRO A 229 -3.275 -8.598 -0.337 1.00 0.00 H new ATOM 0 HD3 PRO A 229 -1.641 -8.379 0.257 1.00 0.00 H new ATOM 163 N GLU A 230 -5.307 -8.906 3.245 1.00 0.00 N ATOM 164 CA GLU A 230 -6.608 -9.001 3.905 1.00 0.00 C ATOM 165 C GLU A 230 -6.615 -10.078 5.010 1.00 0.00 C ATOM 166 O GLU A 230 -7.000 -9.778 6.137 1.00 0.00 O ATOM 167 CB GLU A 230 -7.713 -9.282 2.861 1.00 0.00 C ATOM 168 CG GLU A 230 -7.748 -8.282 1.682 1.00 0.00 C ATOM 169 CD GLU A 230 -9.032 -8.358 0.844 1.00 0.00 C ATOM 170 OE1 GLU A 230 -9.213 -9.334 0.086 1.00 0.00 O ATOM 171 OE2 GLU A 230 -9.875 -7.439 0.939 1.00 0.00 O ATOM 0 H GLU A 230 -5.334 -9.160 2.257 1.00 0.00 H new ATOM 0 HA GLU A 230 -6.808 -8.044 4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 230 -7.574 -10.288 2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 230 -8.681 -9.268 3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 230 -7.639 -7.270 2.072 1.00 0.00 H new ATOM 0 HG3 GLU A 230 -6.891 -8.468 1.035 1.00 0.00 H new ATOM 178 N GLU A 231 -6.178 -11.320 4.674 1.00 0.00 N ATOM 179 CA GLU A 231 -6.162 -12.462 5.629 1.00 0.00 C ATOM 180 C GLU A 231 -5.246 -12.183 6.827 1.00 0.00 C ATOM 181 O GLU A 231 -5.576 -12.547 7.951 1.00 0.00 O ATOM 182 CB GLU A 231 -5.723 -13.809 4.964 1.00 0.00 C ATOM 183 CG GLU A 231 -6.715 -14.403 3.940 1.00 0.00 C ATOM 184 CD GLU A 231 -6.700 -13.693 2.582 1.00 0.00 C ATOM 185 OE1 GLU A 231 -5.787 -13.980 1.775 1.00 0.00 O ATOM 186 OE2 GLU A 231 -7.588 -12.854 2.314 1.00 0.00 O ATOM 0 H GLU A 231 -5.830 -11.557 3.745 1.00 0.00 H new ATOM 0 HA GLU A 231 -7.193 -12.567 5.968 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -4.766 -13.653 4.467 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.557 -14.545 5.751 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -6.481 -15.457 3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -7.722 -14.355 4.354 1.00 0.00 H new ATOM 193 N ILE A 232 -4.094 -11.538 6.566 1.00 0.00 N ATOM 194 CA ILE A 232 -3.068 -11.302 7.598 1.00 0.00 C ATOM 195 C ILE A 232 -3.542 -10.220 8.582 1.00 0.00 C ATOM 196 O ILE A 232 -3.452 -10.395 9.798 1.00 0.00 O ATOM 197 CB ILE A 232 -1.644 -10.958 6.982 1.00 0.00 C ATOM 198 CG1 ILE A 232 -0.994 -12.225 6.305 1.00 0.00 C ATOM 199 CG2 ILE A 232 -0.671 -10.385 8.059 1.00 0.00 C ATOM 200 CD1 ILE A 232 -1.704 -12.773 5.080 1.00 0.00 C ATOM 0 H ILE A 232 -3.850 -11.170 5.646 1.00 0.00 H new ATOM 0 HA ILE A 232 -2.935 -12.234 8.147 1.00 0.00 H new ATOM 0 HB ILE A 232 -1.808 -10.193 6.223 1.00 0.00 H new ATOM 0 HG12 ILE A 232 0.029 -11.975 6.024 1.00 0.00 H new ATOM 0 HG13 ILE A 232 -0.936 -13.019 7.050 1.00 0.00 H new ATOM 0 HG21 ILE A 232 0.291 -10.163 7.598 1.00 0.00 H new ATOM 0 HG22 ILE A 232 -1.091 -9.472 8.480 1.00 0.00 H new ATOM 0 HG23 ILE A 232 -0.532 -11.120 8.852 1.00 0.00 H new ATOM 0 HD11 ILE A 232 -1.164 -13.642 4.705 1.00 0.00 H new ATOM 0 HD12 ILE A 232 -2.719 -13.065 5.348 1.00 0.00 H new ATOM 0 HD13 ILE A 232 -1.740 -12.006 4.306 1.00 0.00 H new ATOM 212 N GLU A 233 -4.079 -9.116 8.047 1.00 0.00 N ATOM 213 CA GLU A 233 -4.597 -8.002 8.864 1.00 0.00 C ATOM 214 C GLU A 233 -5.840 -8.457 9.664 1.00 0.00 C ATOM 215 O GLU A 233 -6.051 -8.045 10.812 1.00 0.00 O ATOM 216 CB GLU A 233 -4.921 -6.769 7.967 1.00 0.00 C ATOM 217 CG GLU A 233 -4.932 -5.427 8.729 1.00 0.00 C ATOM 218 CD GLU A 233 -3.558 -5.101 9.350 1.00 0.00 C ATOM 219 OE1 GLU A 233 -2.668 -4.620 8.617 1.00 0.00 O ATOM 220 OE2 GLU A 233 -3.351 -5.344 10.559 1.00 0.00 O ATOM 0 H GLU A 233 -4.168 -8.966 7.042 1.00 0.00 H new ATOM 0 HA GLU A 233 -3.828 -7.701 9.576 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -4.186 -6.713 7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -5.894 -6.918 7.499 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -5.221 -4.626 8.048 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -5.685 -5.464 9.516 1.00 0.00 H new ATOM 227 N LYS A 234 -6.632 -9.344 9.038 1.00 0.00 N ATOM 228 CA LYS A 234 -7.837 -9.926 9.637 1.00 0.00 C ATOM 229 C LYS A 234 -7.471 -10.927 10.745 1.00 0.00 C ATOM 230 O LYS A 234 -8.188 -11.023 11.733 1.00 0.00 O ATOM 231 CB LYS A 234 -8.701 -10.626 8.558 1.00 0.00 C ATOM 232 CG LYS A 234 -10.087 -11.129 9.050 1.00 0.00 C ATOM 233 CD LYS A 234 -11.013 -9.982 9.554 1.00 0.00 C ATOM 234 CE LYS A 234 -11.297 -8.915 8.470 1.00 0.00 C ATOM 235 NZ LYS A 234 -11.886 -9.509 7.240 1.00 0.00 N ATOM 0 H LYS A 234 -6.448 -9.678 8.092 1.00 0.00 H new ATOM 0 HA LYS A 234 -8.415 -9.114 10.079 1.00 0.00 H new ATOM 0 HB2 LYS A 234 -8.856 -9.932 7.732 1.00 0.00 H new ATOM 0 HB3 LYS A 234 -8.143 -11.474 8.162 1.00 0.00 H new ATOM 0 HG2 LYS A 234 -10.584 -11.658 8.237 1.00 0.00 H new ATOM 0 HG3 LYS A 234 -9.940 -11.849 9.855 1.00 0.00 H new ATOM 0 HD2 LYS A 234 -11.957 -10.407 9.894 1.00 0.00 H new ATOM 0 HD3 LYS A 234 -10.551 -9.502 10.417 1.00 0.00 H new ATOM 0 HE2 LYS A 234 -11.978 -8.164 8.871 1.00 0.00 H new ATOM 0 HE3 LYS A 234 -10.370 -8.402 8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 234 -12.138 -8.751 6.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 234 -11.193 -10.144 6.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 234 -12.739 -10.049 7.489 1.00 0.00 H new ATOM 249 N LEU A 235 -6.350 -11.665 10.575 1.00 0.00 N ATOM 250 CA LEU A 235 -5.893 -12.662 11.573 1.00 0.00 C ATOM 251 C LEU A 235 -5.404 -11.933 12.818 1.00 0.00 C ATOM 252 O LEU A 235 -5.617 -12.386 13.941 1.00 0.00 O ATOM 253 CB LEU A 235 -4.805 -13.634 10.973 1.00 0.00 C ATOM 254 CG LEU A 235 -3.271 -13.281 11.055 1.00 0.00 C ATOM 255 CD1 LEU A 235 -2.672 -13.598 12.451 1.00 0.00 C ATOM 256 CD2 LEU A 235 -2.481 -14.024 9.950 1.00 0.00 C ATOM 0 H LEU A 235 -5.745 -11.590 9.757 1.00 0.00 H new ATOM 0 HA LEU A 235 -6.731 -13.300 11.855 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -4.937 -14.601 11.459 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -5.046 -13.772 9.919 1.00 0.00 H new ATOM 0 HG LEU A 235 -3.180 -12.206 10.897 1.00 0.00 H new ATOM 0 HD11 LEU A 235 -1.613 -13.339 12.460 1.00 0.00 H new ATOM 0 HD12 LEU A 235 -3.194 -13.018 13.211 1.00 0.00 H new ATOM 0 HD13 LEU A 235 -2.787 -14.661 12.663 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.424 -13.767 10.023 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -2.603 -15.100 10.076 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -2.859 -13.729 8.971 1.00 0.00 H new ATOM 268 N LYS A 236 -4.713 -10.807 12.583 1.00 0.00 N ATOM 269 CA LYS A 236 -4.210 -9.926 13.637 1.00 0.00 C ATOM 270 C LYS A 236 -5.375 -9.270 14.392 1.00 0.00 C ATOM 271 O LYS A 236 -5.292 -9.075 15.601 1.00 0.00 O ATOM 272 CB LYS A 236 -3.277 -8.876 13.001 1.00 0.00 C ATOM 273 CG LYS A 236 -1.938 -9.463 12.469 1.00 0.00 C ATOM 274 CD LYS A 236 -1.222 -8.507 11.483 1.00 0.00 C ATOM 275 CE LYS A 236 -0.883 -7.144 12.109 1.00 0.00 C ATOM 276 NZ LYS A 236 -0.470 -6.137 11.097 1.00 0.00 N ATOM 0 H LYS A 236 -4.487 -10.483 11.643 1.00 0.00 H new ATOM 0 HA LYS A 236 -3.643 -10.503 14.368 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -3.801 -8.389 12.179 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -3.057 -8.105 13.739 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -1.278 -9.674 13.310 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -2.134 -10.413 11.972 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -0.304 -8.978 11.131 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -1.856 -8.352 10.610 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -1.751 -6.772 12.653 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -0.082 -7.272 12.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 0.144 -5.427 11.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 0.049 -6.609 10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -1.314 -5.669 10.708 1.00 0.00 H new ATOM 290 N GLU A 237 -6.465 -8.975 13.658 1.00 0.00 N ATOM 291 CA GLU A 237 -7.719 -8.464 14.237 1.00 0.00 C ATOM 292 C GLU A 237 -8.361 -9.539 15.147 1.00 0.00 C ATOM 293 O GLU A 237 -8.755 -9.259 16.276 1.00 0.00 O ATOM 294 CB GLU A 237 -8.694 -8.057 13.097 1.00 0.00 C ATOM 295 CG GLU A 237 -9.986 -7.358 13.566 1.00 0.00 C ATOM 296 CD GLU A 237 -9.719 -5.985 14.210 1.00 0.00 C ATOM 297 OE1 GLU A 237 -9.641 -4.986 13.471 1.00 0.00 O ATOM 298 OE2 GLU A 237 -9.562 -5.906 15.446 1.00 0.00 O ATOM 0 H GLU A 237 -6.499 -9.085 12.645 1.00 0.00 H new ATOM 0 HA GLU A 237 -7.504 -7.585 14.844 1.00 0.00 H new ATOM 0 HB2 GLU A 237 -8.169 -7.394 12.409 1.00 0.00 H new ATOM 0 HB3 GLU A 237 -8.965 -8.950 12.534 1.00 0.00 H new ATOM 0 HG2 GLU A 237 -10.655 -7.232 12.715 1.00 0.00 H new ATOM 0 HG3 GLU A 237 -10.500 -7.997 14.284 1.00 0.00 H new ATOM 305 N LEU A 238 -8.413 -10.776 14.621 1.00 0.00 N ATOM 306 CA LEU A 238 -8.911 -11.970 15.333 1.00 0.00 C ATOM 307 C LEU A 238 -8.016 -12.320 16.537 1.00 0.00 C ATOM 308 O LEU A 238 -8.468 -12.979 17.474 1.00 0.00 O ATOM 309 CB LEU A 238 -9.002 -13.188 14.367 1.00 0.00 C ATOM 310 CG LEU A 238 -10.052 -13.085 13.213 1.00 0.00 C ATOM 311 CD1 LEU A 238 -9.914 -14.258 12.208 1.00 0.00 C ATOM 312 CD2 LEU A 238 -11.491 -12.986 13.775 1.00 0.00 C ATOM 0 H LEU A 238 -8.104 -10.979 13.670 1.00 0.00 H new ATOM 0 HA LEU A 238 -9.909 -11.737 15.705 1.00 0.00 H new ATOM 0 HB2 LEU A 238 -8.020 -13.345 13.922 1.00 0.00 H new ATOM 0 HB3 LEU A 238 -9.230 -14.076 14.957 1.00 0.00 H new ATOM 0 HG LEU A 238 -9.847 -12.166 12.664 1.00 0.00 H new ATOM 0 HD11 LEU A 238 -10.660 -14.152 11.421 1.00 0.00 H new ATOM 0 HD12 LEU A 238 -8.917 -14.244 11.767 1.00 0.00 H new ATOM 0 HD13 LEU A 238 -10.068 -15.203 12.729 1.00 0.00 H new ATOM 0 HD21 LEU A 238 -12.200 -12.916 12.950 1.00 0.00 H new ATOM 0 HD22 LEU A 238 -11.712 -13.873 14.368 1.00 0.00 H new ATOM 0 HD23 LEU A 238 -11.576 -12.099 14.403 1.00 0.00 H new ATOM 324 N ARG A 239 -6.736 -11.918 16.461 1.00 0.00 N ATOM 325 CA ARG A 239 -5.744 -12.119 17.535 1.00 0.00 C ATOM 326 C ARG A 239 -5.943 -11.077 18.661 1.00 0.00 C ATOM 327 O ARG A 239 -5.627 -11.343 19.822 1.00 0.00 O ATOM 328 CB ARG A 239 -4.307 -12.059 16.949 1.00 0.00 C ATOM 329 CG ARG A 239 -3.186 -12.478 17.928 1.00 0.00 C ATOM 330 CD ARG A 239 -1.779 -12.337 17.329 1.00 0.00 C ATOM 331 NE ARG A 239 -1.484 -10.946 16.946 1.00 0.00 N ATOM 332 CZ ARG A 239 -0.282 -10.477 16.577 1.00 0.00 C ATOM 333 NH1 ARG A 239 0.783 -11.270 16.555 1.00 0.00 N ATOM 334 NH2 ARG A 239 -0.154 -9.198 16.248 1.00 0.00 N ATOM 0 H ARG A 239 -6.355 -11.439 15.645 1.00 0.00 H new ATOM 0 HA ARG A 239 -5.889 -13.106 17.974 1.00 0.00 H new ATOM 0 HB2 ARG A 239 -4.261 -12.703 16.071 1.00 0.00 H new ATOM 0 HB3 ARG A 239 -4.111 -11.042 16.609 1.00 0.00 H new ATOM 0 HG2 ARG A 239 -3.253 -11.869 18.830 1.00 0.00 H new ATOM 0 HG3 ARG A 239 -3.344 -13.513 18.230 1.00 0.00 H new ATOM 0 HD2 ARG A 239 -1.040 -12.679 18.053 1.00 0.00 H new ATOM 0 HD3 ARG A 239 -1.690 -12.981 16.454 1.00 0.00 H new ATOM 0 HE ARG A 239 -2.259 -10.283 16.963 1.00 0.00 H new ATOM 0 HH11 ARG A 239 0.694 -12.251 16.821 1.00 0.00 H new ATOM 0 HH12 ARG A 239 1.690 -10.898 16.272 1.00 0.00 H new ATOM 0 HH21 ARG A 239 -0.965 -8.580 16.277 1.00 0.00 H new ATOM 0 HH22 ARG A 239 0.756 -8.832 15.966 1.00 0.00 H new ATOM 348 N ILE A 240 -6.470 -9.888 18.312 1.00 0.00 N ATOM 349 CA ILE A 240 -6.892 -8.887 19.323 1.00 0.00 C ATOM 350 C ILE A 240 -8.125 -9.427 20.091 1.00 0.00 C ATOM 351 O ILE A 240 -8.258 -9.232 21.304 1.00 0.00 O ATOM 352 CB ILE A 240 -7.226 -7.484 18.668 1.00 0.00 C ATOM 353 CG1 ILE A 240 -6.002 -6.946 17.855 1.00 0.00 C ATOM 354 CG2 ILE A 240 -7.676 -6.444 19.733 1.00 0.00 C ATOM 355 CD1 ILE A 240 -6.238 -5.643 17.108 1.00 0.00 C ATOM 0 H ILE A 240 -6.615 -9.594 17.346 1.00 0.00 H new ATOM 0 HA ILE A 240 -6.062 -8.729 20.012 1.00 0.00 H new ATOM 0 HB ILE A 240 -8.060 -7.634 17.982 1.00 0.00 H new ATOM 0 HG12 ILE A 240 -5.166 -6.806 18.540 1.00 0.00 H new ATOM 0 HG13 ILE A 240 -5.701 -7.708 17.136 1.00 0.00 H new ATOM 0 HG21 ILE A 240 -7.896 -5.495 19.244 1.00 0.00 H new ATOM 0 HG22 ILE A 240 -8.570 -6.807 20.241 1.00 0.00 H new ATOM 0 HG23 ILE A 240 -6.878 -6.301 20.461 1.00 0.00 H new ATOM 0 HD11 ILE A 240 -5.329 -5.358 16.578 1.00 0.00 H new ATOM 0 HD12 ILE A 240 -7.049 -5.776 16.392 1.00 0.00 H new ATOM 0 HD13 ILE A 240 -6.505 -4.860 17.818 1.00 0.00 H new ATOM 367 N LYS A 241 -8.998 -10.147 19.360 1.00 0.00 N ATOM 368 CA LYS A 241 -10.249 -10.713 19.901 1.00 0.00 C ATOM 369 C LYS A 241 -9.989 -11.972 20.760 1.00 0.00 C ATOM 370 O LYS A 241 -10.476 -12.074 21.891 1.00 0.00 O ATOM 371 CB LYS A 241 -11.218 -11.059 18.737 1.00 0.00 C ATOM 372 CG LYS A 241 -11.549 -9.864 17.822 1.00 0.00 C ATOM 373 CD LYS A 241 -12.580 -10.188 16.719 1.00 0.00 C ATOM 374 CE LYS A 241 -13.975 -10.525 17.280 1.00 0.00 C ATOM 375 NZ LYS A 241 -14.544 -9.409 18.082 1.00 0.00 N ATOM 0 H LYS A 241 -8.854 -10.353 18.372 1.00 0.00 H new ATOM 0 HA LYS A 241 -10.701 -9.960 20.547 1.00 0.00 H new ATOM 0 HB2 LYS A 241 -10.777 -11.854 18.135 1.00 0.00 H new ATOM 0 HB3 LYS A 241 -12.145 -11.452 19.154 1.00 0.00 H new ATOM 0 HG2 LYS A 241 -11.930 -9.046 18.433 1.00 0.00 H new ATOM 0 HG3 LYS A 241 -10.630 -9.511 17.354 1.00 0.00 H new ATOM 0 HD2 LYS A 241 -12.662 -9.336 16.044 1.00 0.00 H new ATOM 0 HD3 LYS A 241 -12.219 -11.030 16.128 1.00 0.00 H new ATOM 0 HE2 LYS A 241 -14.649 -10.758 16.456 1.00 0.00 H new ATOM 0 HE3 LYS A 241 -13.909 -11.419 17.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 241 -15.542 -9.609 18.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 241 -14.012 -9.314 18.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 241 -14.476 -8.523 17.541 1.00 0.00 H new ATOM 389 N HIS A 242 -9.206 -12.918 20.211 1.00 0.00 N ATOM 390 CA HIS A 242 -9.000 -14.265 20.802 1.00 0.00 C ATOM 391 C HIS A 242 -7.552 -14.456 21.288 1.00 0.00 C ATOM 392 O HIS A 242 -7.332 -14.866 22.429 1.00 0.00 O ATOM 393 CB HIS A 242 -9.372 -15.371 19.770 1.00 0.00 C ATOM 394 CG HIS A 242 -10.853 -15.502 19.510 1.00 0.00 C ATOM 395 ND1 HIS A 242 -11.666 -16.356 20.233 1.00 0.00 N ATOM 396 CD2 HIS A 242 -11.667 -14.892 18.615 1.00 0.00 C ATOM 397 CE1 HIS A 242 -12.902 -16.266 19.793 1.00 0.00 C ATOM 398 NE2 HIS A 242 -12.929 -15.387 18.818 1.00 0.00 N ATOM 0 H HIS A 242 -8.693 -12.775 19.341 1.00 0.00 H new ATOM 0 HA HIS A 242 -9.656 -14.350 21.669 1.00 0.00 H new ATOM 0 HB2 HIS A 242 -8.867 -15.158 18.828 1.00 0.00 H new ATOM 0 HB3 HIS A 242 -8.991 -16.328 20.127 1.00 0.00 H new ATOM 0 HD2 HIS A 242 -11.377 -14.155 17.881 1.00 0.00 H new ATOM 0 HE1 HIS A 242 -13.749 -16.820 20.169 1.00 0.00 H new ATOM 0 HE2 HIS A 242 -13.760 -15.115 18.293 1.00 0.00 H new ATOM 407 N GLY A 243 -6.577 -14.162 20.409 1.00 0.00 N ATOM 408 CA GLY A 243 -5.150 -14.239 20.757 1.00 0.00 C ATOM 409 C GLY A 243 -4.516 -15.574 20.409 1.00 0.00 C ATOM 410 O GLY A 243 -4.158 -15.809 19.251 1.00 0.00 O ATOM 0 H GLY A 243 -6.755 -13.868 19.449 1.00 0.00 H new ATOM 0 HA2 GLY A 243 -4.614 -13.444 20.238 1.00 0.00 H new ATOM 0 HA3 GLY A 243 -5.034 -14.057 21.825 1.00 0.00 H new ATOM 414 N ASN A 244 -4.427 -16.465 21.414 1.00 0.00 N ATOM 415 CA ASN A 244 -3.734 -17.774 21.300 1.00 0.00 C ATOM 416 C ASN A 244 -4.564 -18.827 20.534 1.00 0.00 C ATOM 417 O ASN A 244 -4.107 -19.964 20.343 1.00 0.00 O ATOM 418 CB ASN A 244 -3.371 -18.315 22.710 1.00 0.00 C ATOM 419 CG ASN A 244 -4.599 -18.560 23.597 1.00 0.00 C ATOM 420 OD1 ASN A 244 -5.213 -19.622 23.561 1.00 0.00 O ATOM 421 ND2 ASN A 244 -4.955 -17.589 24.411 1.00 0.00 N ATOM 0 H ASN A 244 -4.834 -16.302 22.335 1.00 0.00 H new ATOM 0 HA ASN A 244 -2.826 -17.598 20.724 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -2.816 -19.247 22.603 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -2.709 -17.605 23.205 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -5.757 -17.710 25.030 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -4.429 -16.715 24.423 1.00 0.00 H new ATOM 428 N ASP A 245 -5.777 -18.445 20.111 1.00 0.00 N ATOM 429 CA ASP A 245 -6.713 -19.322 19.390 1.00 0.00 C ATOM 430 C ASP A 245 -6.439 -19.300 17.876 1.00 0.00 C ATOM 431 O ASP A 245 -7.341 -19.032 17.084 1.00 0.00 O ATOM 432 CB ASP A 245 -8.170 -18.877 19.701 1.00 0.00 C ATOM 433 CG ASP A 245 -8.501 -18.942 21.196 1.00 0.00 C ATOM 434 OD1 ASP A 245 -8.279 -17.941 21.903 1.00 0.00 O ATOM 435 OD2 ASP A 245 -8.967 -19.997 21.661 1.00 0.00 O ATOM 0 H ASP A 245 -6.142 -17.504 20.262 1.00 0.00 H new ATOM 0 HA ASP A 245 -6.572 -20.349 19.727 1.00 0.00 H new ATOM 0 HB2 ASP A 245 -8.318 -17.858 19.344 1.00 0.00 H new ATOM 0 HB3 ASP A 245 -8.865 -19.512 19.151 1.00 0.00 H new ATOM 440 N TRP A 246 -5.191 -19.632 17.489 1.00 0.00 N ATOM 441 CA TRP A 246 -4.737 -19.619 16.080 1.00 0.00 C ATOM 442 C TRP A 246 -5.508 -20.644 15.219 1.00 0.00 C ATOM 443 O TRP A 246 -5.573 -20.497 13.997 1.00 0.00 O ATOM 444 CB TRP A 246 -3.217 -19.899 15.998 1.00 0.00 C ATOM 445 CG TRP A 246 -2.357 -18.895 16.735 1.00 0.00 C ATOM 446 CD1 TRP A 246 -1.933 -18.962 18.035 1.00 0.00 C ATOM 447 CD2 TRP A 246 -1.808 -17.681 16.202 1.00 0.00 C ATOM 448 NE1 TRP A 246 -1.159 -17.874 18.334 1.00 0.00 N ATOM 449 CE2 TRP A 246 -1.059 -17.078 17.226 1.00 0.00 C ATOM 450 CE3 TRP A 246 -1.864 -17.058 14.950 1.00 0.00 C ATOM 451 CZ2 TRP A 246 -0.379 -15.875 17.045 1.00 0.00 C ATOM 452 CZ3 TRP A 246 -1.192 -15.867 14.770 1.00 0.00 C ATOM 453 CH2 TRP A 246 -0.451 -15.288 15.808 1.00 0.00 C ATOM 0 H TRP A 246 -4.465 -19.918 18.146 1.00 0.00 H new ATOM 0 HA TRP A 246 -4.942 -18.625 15.682 1.00 0.00 H new ATOM 0 HB2 TRP A 246 -3.020 -20.893 16.401 1.00 0.00 H new ATOM 0 HB3 TRP A 246 -2.919 -19.915 14.950 1.00 0.00 H new ATOM 0 HD1 TRP A 246 -2.174 -19.758 18.724 1.00 0.00 H new ATOM 0 HE1 TRP A 246 -0.726 -17.687 19.238 1.00 0.00 H new ATOM 0 HE3 TRP A 246 -2.423 -17.502 14.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 246 0.183 -15.422 17.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 246 -1.238 -15.372 13.811 1.00 0.00 H new ATOM 0 HH2 TRP A 246 0.074 -14.361 15.631 1.00 0.00 H new ATOM 464 N ALA A 247 -6.060 -21.680 15.878 1.00 0.00 N ATOM 465 CA ALA A 247 -6.922 -22.690 15.239 1.00 0.00 C ATOM 466 C ALA A 247 -8.249 -22.059 14.784 1.00 0.00 C ATOM 467 O ALA A 247 -8.698 -22.269 13.648 1.00 0.00 O ATOM 468 CB ALA A 247 -7.163 -23.868 16.205 1.00 0.00 C ATOM 0 H ALA A 247 -5.919 -21.840 16.875 1.00 0.00 H new ATOM 0 HA ALA A 247 -6.418 -23.075 14.352 1.00 0.00 H new ATOM 0 HB1 ALA A 247 -7.801 -24.609 15.723 1.00 0.00 H new ATOM 0 HB2 ALA A 247 -6.209 -24.326 16.466 1.00 0.00 H new ATOM 0 HB3 ALA A 247 -7.650 -23.503 17.109 1.00 0.00 H new ATOM 474 N THR A 248 -8.841 -21.257 15.687 1.00 0.00 N ATOM 475 CA THR A 248 -10.092 -20.520 15.430 1.00 0.00 C ATOM 476 C THR A 248 -9.861 -19.423 14.372 1.00 0.00 C ATOM 477 O THR A 248 -10.680 -19.231 13.466 1.00 0.00 O ATOM 478 CB THR A 248 -10.622 -19.877 16.757 1.00 0.00 C ATOM 479 OG1 THR A 248 -10.700 -20.892 17.768 1.00 0.00 O ATOM 480 CG2 THR A 248 -12.007 -19.211 16.597 1.00 0.00 C ATOM 0 H THR A 248 -8.463 -21.101 16.621 1.00 0.00 H new ATOM 0 HA THR A 248 -10.836 -21.221 15.053 1.00 0.00 H new ATOM 0 HB THR A 248 -9.921 -19.091 17.038 1.00 0.00 H new ATOM 0 HG1 THR A 248 -11.029 -20.498 18.603 1.00 0.00 H new ATOM 0 HG21 THR A 248 -12.318 -18.785 17.551 1.00 0.00 H new ATOM 0 HG22 THR A 248 -11.946 -18.421 15.849 1.00 0.00 H new ATOM 0 HG23 THR A 248 -12.735 -19.957 16.278 1.00 0.00 H new ATOM 488 N ILE A 249 -8.720 -18.727 14.508 1.00 0.00 N ATOM 489 CA ILE A 249 -8.300 -17.638 13.613 1.00 0.00 C ATOM 490 C ILE A 249 -8.115 -18.163 12.171 1.00 0.00 C ATOM 491 O ILE A 249 -8.765 -17.673 11.241 1.00 0.00 O ATOM 492 CB ILE A 249 -6.967 -16.979 14.151 1.00 0.00 C ATOM 493 CG1 ILE A 249 -7.207 -16.279 15.535 1.00 0.00 C ATOM 494 CG2 ILE A 249 -6.348 -15.994 13.132 1.00 0.00 C ATOM 495 CD1 ILE A 249 -5.947 -15.758 16.214 1.00 0.00 C ATOM 0 H ILE A 249 -8.052 -18.910 15.257 1.00 0.00 H new ATOM 0 HA ILE A 249 -9.079 -16.875 13.595 1.00 0.00 H new ATOM 0 HB ILE A 249 -6.247 -17.785 14.293 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -7.896 -15.447 15.391 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -7.697 -16.986 16.204 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -5.435 -15.567 13.547 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -6.114 -16.525 12.209 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -7.058 -15.195 12.921 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -6.212 -15.291 17.163 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -5.263 -16.587 16.396 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -5.464 -15.023 15.570 1.00 0.00 H new ATOM 507 N GLY A 250 -7.250 -19.192 12.031 1.00 0.00 N ATOM 508 CA GLY A 250 -6.920 -19.802 10.738 1.00 0.00 C ATOM 509 C GLY A 250 -8.149 -20.358 10.027 1.00 0.00 C ATOM 510 O GLY A 250 -8.327 -20.137 8.824 1.00 0.00 O ATOM 0 H GLY A 250 -6.763 -19.619 12.819 1.00 0.00 H new ATOM 0 HA2 GLY A 250 -6.440 -19.059 10.101 1.00 0.00 H new ATOM 0 HA3 GLY A 250 -6.198 -20.604 10.891 1.00 0.00 H new ATOM 514 N ALA A 251 -9.015 -21.046 10.796 1.00 0.00 N ATOM 515 CA ALA A 251 -10.277 -21.611 10.280 1.00 0.00 C ATOM 516 C ALA A 251 -11.247 -20.499 9.824 1.00 0.00 C ATOM 517 O ALA A 251 -11.963 -20.670 8.835 1.00 0.00 O ATOM 518 CB ALA A 251 -10.936 -22.513 11.339 1.00 0.00 C ATOM 0 H ALA A 251 -8.860 -21.225 11.788 1.00 0.00 H new ATOM 0 HA ALA A 251 -10.040 -22.219 9.407 1.00 0.00 H new ATOM 0 HB1 ALA A 251 -11.865 -22.921 10.942 1.00 0.00 H new ATOM 0 HB2 ALA A 251 -10.260 -23.330 11.593 1.00 0.00 H new ATOM 0 HB3 ALA A 251 -11.150 -21.928 12.233 1.00 0.00 H new ATOM 524 N ALA A 252 -11.242 -19.351 10.536 1.00 0.00 N ATOM 525 CA ALA A 252 -12.107 -18.188 10.206 1.00 0.00 C ATOM 526 C ALA A 252 -11.603 -17.459 8.943 1.00 0.00 C ATOM 527 O ALA A 252 -12.368 -16.759 8.275 1.00 0.00 O ATOM 528 CB ALA A 252 -12.188 -17.228 11.400 1.00 0.00 C ATOM 0 H ALA A 252 -10.645 -19.201 11.349 1.00 0.00 H new ATOM 0 HA ALA A 252 -13.110 -18.558 9.993 1.00 0.00 H new ATOM 0 HB1 ALA A 252 -12.825 -16.381 11.144 1.00 0.00 H new ATOM 0 HB2 ALA A 252 -12.608 -17.751 12.259 1.00 0.00 H new ATOM 0 HB3 ALA A 252 -11.189 -16.869 11.647 1.00 0.00 H new ATOM 534 N LEU A 253 -10.300 -17.614 8.645 1.00 0.00 N ATOM 535 CA LEU A 253 -9.685 -17.100 7.399 1.00 0.00 C ATOM 536 C LEU A 253 -9.944 -18.051 6.216 1.00 0.00 C ATOM 537 O LEU A 253 -9.871 -17.642 5.052 1.00 0.00 O ATOM 538 CB LEU A 253 -8.162 -16.943 7.581 1.00 0.00 C ATOM 539 CG LEU A 253 -7.702 -16.030 8.745 1.00 0.00 C ATOM 540 CD1 LEU A 253 -6.185 -16.140 8.950 1.00 0.00 C ATOM 541 CD2 LEU A 253 -8.151 -14.563 8.535 1.00 0.00 C ATOM 0 H LEU A 253 -9.642 -18.097 9.257 1.00 0.00 H new ATOM 0 HA LEU A 253 -10.139 -16.132 7.185 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -7.731 -17.933 7.731 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -7.745 -16.551 6.653 1.00 0.00 H new ATOM 0 HG LEU A 253 -8.188 -16.377 9.657 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -5.881 -15.492 9.772 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -5.924 -17.172 9.186 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -5.672 -15.835 8.038 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -7.809 -13.955 9.372 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -7.722 -14.180 7.609 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -9.239 -14.520 8.476 1.00 0.00 H new ATOM 553 N GLY A 254 -10.225 -19.328 6.532 1.00 0.00 N ATOM 554 CA GLY A 254 -10.283 -20.394 5.524 1.00 0.00 C ATOM 555 C GLY A 254 -8.895 -20.904 5.151 1.00 0.00 C ATOM 556 O GLY A 254 -8.722 -21.566 4.129 1.00 0.00 O ATOM 0 H GLY A 254 -10.416 -19.644 7.483 1.00 0.00 H new ATOM 0 HA2 GLY A 254 -10.883 -21.221 5.905 1.00 0.00 H new ATOM 0 HA3 GLY A 254 -10.784 -20.021 4.631 1.00 0.00 H new ATOM 560 N ARG A 255 -7.908 -20.574 5.996 1.00 0.00 N ATOM 561 CA ARG A 255 -6.497 -20.955 5.827 1.00 0.00 C ATOM 562 C ARG A 255 -6.124 -22.046 6.846 1.00 0.00 C ATOM 563 O ARG A 255 -6.983 -22.526 7.600 1.00 0.00 O ATOM 564 CB ARG A 255 -5.599 -19.692 6.012 1.00 0.00 C ATOM 565 CG ARG A 255 -5.921 -18.513 5.064 1.00 0.00 C ATOM 566 CD ARG A 255 -5.808 -18.898 3.581 1.00 0.00 C ATOM 567 NE ARG A 255 -5.979 -17.732 2.696 1.00 0.00 N ATOM 568 CZ ARG A 255 -6.917 -17.600 1.745 1.00 0.00 C ATOM 569 NH1 ARG A 255 -7.856 -18.512 1.587 1.00 0.00 N ATOM 570 NH2 ARG A 255 -6.904 -16.552 0.949 1.00 0.00 N ATOM 0 H ARG A 255 -8.072 -20.021 6.837 1.00 0.00 H new ATOM 0 HA ARG A 255 -6.339 -21.356 4.826 1.00 0.00 H new ATOM 0 HB2 ARG A 255 -5.693 -19.346 7.041 1.00 0.00 H new ATOM 0 HB3 ARG A 255 -4.558 -19.981 5.867 1.00 0.00 H new ATOM 0 HG2 ARG A 255 -6.930 -18.154 5.266 1.00 0.00 H new ATOM 0 HG3 ARG A 255 -5.241 -17.687 5.274 1.00 0.00 H new ATOM 0 HD2 ARG A 255 -4.835 -19.354 3.397 1.00 0.00 H new ATOM 0 HD3 ARG A 255 -6.562 -19.649 3.342 1.00 0.00 H new ATOM 0 HE ARG A 255 -5.327 -16.957 2.817 1.00 0.00 H new ATOM 0 HH11 ARG A 255 -7.877 -19.333 2.192 1.00 0.00 H new ATOM 0 HH12 ARG A 255 -8.562 -18.397 0.860 1.00 0.00 H new ATOM 0 HH21 ARG A 255 -6.181 -15.840 1.055 1.00 0.00 H new ATOM 0 HH22 ARG A 255 -7.617 -16.452 0.226 1.00 0.00 H new ATOM 584 N SER A 256 -4.844 -22.446 6.834 1.00 0.00 N ATOM 585 CA SER A 256 -4.279 -23.386 7.816 1.00 0.00 C ATOM 586 C SER A 256 -3.748 -22.604 9.032 1.00 0.00 C ATOM 587 O SER A 256 -3.007 -21.626 8.870 1.00 0.00 O ATOM 588 CB SER A 256 -3.152 -24.227 7.170 1.00 0.00 C ATOM 589 OG SER A 256 -3.625 -24.906 6.018 1.00 0.00 O ATOM 0 H SER A 256 -4.168 -22.126 6.140 1.00 0.00 H new ATOM 0 HA SER A 256 -5.060 -24.069 8.150 1.00 0.00 H new ATOM 0 HB2 SER A 256 -2.319 -23.579 6.899 1.00 0.00 H new ATOM 0 HB3 SER A 256 -2.772 -24.949 7.892 1.00 0.00 H new ATOM 0 HG SER A 256 -2.896 -25.430 5.625 1.00 0.00 H new ATOM 595 N ALA A 257 -4.157 -23.043 10.239 1.00 0.00 N ATOM 596 CA ALA A 257 -3.756 -22.449 11.530 1.00 0.00 C ATOM 597 C ALA A 257 -2.229 -22.399 11.689 1.00 0.00 C ATOM 598 O ALA A 257 -1.673 -21.381 12.112 1.00 0.00 O ATOM 599 CB ALA A 257 -4.378 -23.253 12.675 1.00 0.00 C ATOM 0 H ALA A 257 -4.788 -23.837 10.346 1.00 0.00 H new ATOM 0 HA ALA A 257 -4.119 -21.422 11.556 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -4.083 -22.816 13.629 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -5.464 -23.232 12.587 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -4.030 -24.285 12.626 1.00 0.00 H new ATOM 605 N SER A 258 -1.579 -23.519 11.321 1.00 0.00 N ATOM 606 CA SER A 258 -0.119 -23.672 11.371 1.00 0.00 C ATOM 607 C SER A 258 0.589 -22.619 10.495 1.00 0.00 C ATOM 608 O SER A 258 1.579 -22.030 10.915 1.00 0.00 O ATOM 609 CB SER A 258 0.272 -25.096 10.902 1.00 0.00 C ATOM 610 OG SER A 258 -0.402 -26.095 11.658 1.00 0.00 O ATOM 0 H SER A 258 -2.061 -24.350 10.978 1.00 0.00 H new ATOM 0 HA SER A 258 0.203 -23.522 12.402 1.00 0.00 H new ATOM 0 HB2 SER A 258 0.030 -25.212 9.846 1.00 0.00 H new ATOM 0 HB3 SER A 258 1.349 -25.230 10.999 1.00 0.00 H new ATOM 0 HG SER A 258 -0.136 -26.982 11.338 1.00 0.00 H new ATOM 616 N SER A 259 0.030 -22.373 9.296 1.00 0.00 N ATOM 617 CA SER A 259 0.642 -21.514 8.267 1.00 0.00 C ATOM 618 C SER A 259 0.520 -20.017 8.603 1.00 0.00 C ATOM 619 O SER A 259 1.464 -19.252 8.373 1.00 0.00 O ATOM 620 CB SER A 259 -0.007 -21.820 6.907 1.00 0.00 C ATOM 621 OG SER A 259 0.099 -23.201 6.595 1.00 0.00 O ATOM 0 H SER A 259 -0.866 -22.768 9.012 1.00 0.00 H new ATOM 0 HA SER A 259 1.709 -21.736 8.230 1.00 0.00 H new ATOM 0 HB2 SER A 259 -1.057 -21.527 6.926 1.00 0.00 H new ATOM 0 HB3 SER A 259 0.475 -21.229 6.128 1.00 0.00 H new ATOM 0 HG SER A 259 -0.322 -23.373 5.727 1.00 0.00 H new ATOM 627 N VAL A 260 -0.650 -19.603 9.133 1.00 0.00 N ATOM 628 CA VAL A 260 -0.903 -18.191 9.502 1.00 0.00 C ATOM 629 C VAL A 260 -0.145 -17.811 10.796 1.00 0.00 C ATOM 630 O VAL A 260 0.349 -16.675 10.938 1.00 0.00 O ATOM 631 CB VAL A 260 -2.447 -17.889 9.635 1.00 0.00 C ATOM 632 CG1 VAL A 260 -3.178 -18.186 8.304 1.00 0.00 C ATOM 633 CG2 VAL A 260 -3.110 -18.650 10.820 1.00 0.00 C ATOM 0 H VAL A 260 -1.436 -20.226 9.316 1.00 0.00 H new ATOM 0 HA VAL A 260 -0.521 -17.569 8.693 1.00 0.00 H new ATOM 0 HB VAL A 260 -2.544 -16.826 9.858 1.00 0.00 H new ATOM 0 HG11 VAL A 260 -4.241 -17.971 8.417 1.00 0.00 H new ATOM 0 HG12 VAL A 260 -2.763 -17.560 7.514 1.00 0.00 H new ATOM 0 HG13 VAL A 260 -3.046 -19.236 8.043 1.00 0.00 H new ATOM 0 HG21 VAL A 260 -4.171 -18.404 10.862 1.00 0.00 H new ATOM 0 HG22 VAL A 260 -2.992 -19.724 10.674 1.00 0.00 H new ATOM 0 HG23 VAL A 260 -2.632 -18.356 11.754 1.00 0.00 H new ATOM 643 N LYS A 261 -0.039 -18.791 11.712 1.00 0.00 N ATOM 644 CA LYS A 261 0.738 -18.662 12.952 1.00 0.00 C ATOM 645 C LYS A 261 2.233 -18.569 12.627 1.00 0.00 C ATOM 646 O LYS A 261 2.953 -17.768 13.218 1.00 0.00 O ATOM 647 CB LYS A 261 0.448 -19.869 13.885 1.00 0.00 C ATOM 648 CG LYS A 261 1.168 -19.836 15.256 1.00 0.00 C ATOM 649 CD LYS A 261 0.761 -21.021 16.177 1.00 0.00 C ATOM 650 CE LYS A 261 1.064 -22.399 15.562 1.00 0.00 C ATOM 651 NZ LYS A 261 2.512 -22.591 15.313 1.00 0.00 N ATOM 0 H LYS A 261 -0.494 -19.698 11.609 1.00 0.00 H new ATOM 0 HA LYS A 261 0.443 -17.749 13.469 1.00 0.00 H new ATOM 0 HB2 LYS A 261 -0.627 -19.922 14.059 1.00 0.00 H new ATOM 0 HB3 LYS A 261 0.732 -20.784 13.366 1.00 0.00 H new ATOM 0 HG2 LYS A 261 2.246 -19.859 15.096 1.00 0.00 H new ATOM 0 HG3 LYS A 261 0.940 -18.896 15.759 1.00 0.00 H new ATOM 0 HD2 LYS A 261 1.287 -20.931 17.128 1.00 0.00 H new ATOM 0 HD3 LYS A 261 -0.305 -20.954 16.395 1.00 0.00 H new ATOM 0 HE2 LYS A 261 0.705 -23.181 16.231 1.00 0.00 H new ATOM 0 HE3 LYS A 261 0.518 -22.505 14.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 2.677 -23.550 14.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 2.840 -21.893 14.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 3.037 -22.465 16.202 1.00 0.00 H new ATOM 665 N ASP A 262 2.665 -19.388 11.646 1.00 0.00 N ATOM 666 CA ASP A 262 4.058 -19.437 11.165 1.00 0.00 C ATOM 667 C ASP A 262 4.451 -18.099 10.512 1.00 0.00 C ATOM 668 O ASP A 262 5.573 -17.599 10.722 1.00 0.00 O ATOM 669 CB ASP A 262 4.215 -20.589 10.142 1.00 0.00 C ATOM 670 CG ASP A 262 5.664 -20.836 9.701 1.00 0.00 C ATOM 671 OD1 ASP A 262 6.391 -21.558 10.414 1.00 0.00 O ATOM 672 OD2 ASP A 262 6.088 -20.297 8.658 1.00 0.00 O ATOM 0 H ASP A 262 2.048 -20.040 11.161 1.00 0.00 H new ATOM 0 HA ASP A 262 4.717 -19.614 12.015 1.00 0.00 H new ATOM 0 HB2 ASP A 262 3.817 -21.505 10.578 1.00 0.00 H new ATOM 0 HB3 ASP A 262 3.611 -20.366 9.263 1.00 0.00 H new ATOM 677 N ARG A 263 3.507 -17.543 9.727 1.00 0.00 N ATOM 678 CA ARG A 263 3.691 -16.277 9.002 1.00 0.00 C ATOM 679 C ARG A 263 3.935 -15.139 10.004 1.00 0.00 C ATOM 680 O ARG A 263 4.924 -14.413 9.898 1.00 0.00 O ATOM 681 CB ARG A 263 2.433 -15.981 8.107 1.00 0.00 C ATOM 682 CG ARG A 263 2.603 -14.901 6.993 1.00 0.00 C ATOM 683 CD ARG A 263 2.632 -13.446 7.497 1.00 0.00 C ATOM 684 NE ARG A 263 2.962 -12.502 6.411 1.00 0.00 N ATOM 685 CZ ARG A 263 4.198 -12.036 6.131 1.00 0.00 C ATOM 686 NH1 ARG A 263 5.254 -12.451 6.818 1.00 0.00 N ATOM 687 NH2 ARG A 263 4.369 -11.176 5.134 1.00 0.00 N ATOM 0 H ARG A 263 2.590 -17.965 9.579 1.00 0.00 H new ATOM 0 HA ARG A 263 4.560 -16.354 8.349 1.00 0.00 H new ATOM 0 HB2 ARG A 263 2.126 -16.913 7.633 1.00 0.00 H new ATOM 0 HB3 ARG A 263 1.617 -15.671 8.759 1.00 0.00 H new ATOM 0 HG2 ARG A 263 3.528 -15.101 6.452 1.00 0.00 H new ATOM 0 HG3 ARG A 263 1.787 -15.006 6.278 1.00 0.00 H new ATOM 0 HD2 ARG A 263 1.662 -13.188 7.922 1.00 0.00 H new ATOM 0 HD3 ARG A 263 3.366 -13.352 8.297 1.00 0.00 H new ATOM 0 HE ARG A 263 2.194 -12.175 5.825 1.00 0.00 H new ATOM 0 HH11 ARG A 263 5.139 -13.131 7.569 1.00 0.00 H new ATOM 0 HH12 ARG A 263 6.182 -12.090 6.595 1.00 0.00 H new ATOM 0 HH21 ARG A 263 3.568 -10.869 4.582 1.00 0.00 H new ATOM 0 HH22 ARG A 263 5.301 -10.822 4.920 1.00 0.00 H new ATOM 701 N CYS A 264 3.023 -15.019 10.978 1.00 0.00 N ATOM 702 CA CYS A 264 3.052 -13.938 11.973 1.00 0.00 C ATOM 703 C CYS A 264 4.173 -14.122 12.995 1.00 0.00 C ATOM 704 O CYS A 264 4.603 -13.148 13.586 1.00 0.00 O ATOM 705 CB CYS A 264 1.688 -13.828 12.654 1.00 0.00 C ATOM 706 SG CYS A 264 0.373 -13.469 11.478 1.00 0.00 S ATOM 0 H CYS A 264 2.245 -15.668 11.099 1.00 0.00 H new ATOM 0 HA CYS A 264 3.265 -13.004 11.452 1.00 0.00 H new ATOM 0 HB2 CYS A 264 1.466 -14.761 13.173 1.00 0.00 H new ATOM 0 HB3 CYS A 264 1.722 -13.043 13.410 1.00 0.00 H new ATOM 0 HG CYS A 264 -0.084 -14.582 10.985 1.00 0.00 H new ATOM 712 N ARG A 265 4.619 -15.373 13.203 1.00 0.00 N ATOM 713 CA ARG A 265 5.760 -15.678 14.092 1.00 0.00 C ATOM 714 C ARG A 265 7.062 -15.133 13.480 1.00 0.00 C ATOM 715 O ARG A 265 7.848 -14.447 14.148 1.00 0.00 O ATOM 716 CB ARG A 265 5.874 -17.210 14.317 1.00 0.00 C ATOM 717 CG ARG A 265 6.943 -17.640 15.347 1.00 0.00 C ATOM 718 CD ARG A 265 6.623 -17.135 16.762 1.00 0.00 C ATOM 719 NE ARG A 265 7.651 -17.524 17.739 1.00 0.00 N ATOM 720 CZ ARG A 265 7.416 -17.831 19.022 1.00 0.00 C ATOM 721 NH1 ARG A 265 6.176 -17.911 19.485 1.00 0.00 N ATOM 722 NH2 ARG A 265 8.426 -18.086 19.835 1.00 0.00 N ATOM 0 H ARG A 265 4.205 -16.196 12.765 1.00 0.00 H new ATOM 0 HA ARG A 265 5.593 -15.197 15.056 1.00 0.00 H new ATOM 0 HB2 ARG A 265 4.905 -17.588 14.642 1.00 0.00 H new ATOM 0 HB3 ARG A 265 6.098 -17.687 13.363 1.00 0.00 H new ATOM 0 HG2 ARG A 265 7.016 -18.727 15.359 1.00 0.00 H new ATOM 0 HG3 ARG A 265 7.916 -17.258 15.039 1.00 0.00 H new ATOM 0 HD2 ARG A 265 6.533 -16.049 16.746 1.00 0.00 H new ATOM 0 HD3 ARG A 265 5.657 -17.531 17.077 1.00 0.00 H new ATOM 0 HE ARG A 265 8.617 -17.563 17.415 1.00 0.00 H new ATOM 0 HH11 ARG A 265 5.387 -17.738 18.862 1.00 0.00 H new ATOM 0 HH12 ARG A 265 6.011 -18.146 20.464 1.00 0.00 H new ATOM 0 HH21 ARG A 265 9.384 -18.049 19.486 1.00 0.00 H new ATOM 0 HH22 ARG A 265 8.248 -18.320 20.812 1.00 0.00 H new