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 Single : A 227 TYR OH : rot 180:sc= 0 USER MOD Single : A 228 THR OG1 : rot 180:sc= -0.608 USER MOD Single : A 234 LYS NZ :NH3+ 165:sc= 0.857 (180deg=0.729) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 241 LYS NZ :NH3+ -167:sc=-0.00723 (180deg=-0.176) USER MOD Single : A 242 HIS : no HE2:sc= -0.191 X(o=-0.19,f=-0.13) USER MOD Single : A 244 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 248 THR OG1 : rot 116:sc= 0.363 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= -1.18 USER MOD Single : A 261 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 264 CYS SG : rot -28:sc= -1.2 USER MOD ----------------------------------------------------------------- ATOM 114 N TYR A 227 -1.522 -14.800 -0.269 1.00 0.00 N ATOM 115 CA TYR A 227 -2.523 -14.154 0.589 1.00 0.00 C ATOM 116 C TYR A 227 -2.636 -12.654 0.238 1.00 0.00 C ATOM 117 O TYR A 227 -1.615 -12.000 -0.028 1.00 0.00 O ATOM 118 CB TYR A 227 -2.090 -14.258 2.085 1.00 0.00 C ATOM 119 CG TYR A 227 -1.967 -15.669 2.716 1.00 0.00 C ATOM 120 CD1 TYR A 227 -1.449 -16.761 2.012 1.00 0.00 C ATOM 121 CD2 TYR A 227 -2.339 -15.891 4.055 1.00 0.00 C ATOM 122 CE1 TYR A 227 -1.328 -18.006 2.596 1.00 0.00 C ATOM 123 CE2 TYR A 227 -2.213 -17.138 4.640 1.00 0.00 C ATOM 124 CZ TYR A 227 -1.701 -18.190 3.906 1.00 0.00 C ATOM 125 OH TYR A 227 -1.578 -19.436 4.483 1.00 0.00 O ATOM 0 HA TYR A 227 -3.478 -14.655 0.431 1.00 0.00 H new ATOM 0 HB2 TYR A 227 -1.125 -13.762 2.187 1.00 0.00 H new ATOM 0 HB3 TYR A 227 -2.805 -13.689 2.679 1.00 0.00 H new ATOM 0 HD1 TYR A 227 -1.136 -16.627 0.987 1.00 0.00 H new ATOM 0 HD2 TYR A 227 -2.731 -15.071 4.638 1.00 0.00 H new ATOM 0 HE1 TYR A 227 -0.940 -18.836 2.023 1.00 0.00 H new ATOM 0 HE2 TYR A 227 -2.514 -17.288 5.666 1.00 0.00 H new ATOM 0 HH TYR A 227 -1.884 -19.397 5.413 1.00 0.00 H new ATOM 135 N THR A 228 -3.863 -12.117 0.257 1.00 0.00 N ATOM 136 CA THR A 228 -4.091 -10.663 0.187 1.00 0.00 C ATOM 137 C THR A 228 -3.635 -10.010 1.517 1.00 0.00 C ATOM 138 O THR A 228 -3.687 -10.676 2.558 1.00 0.00 O ATOM 139 CB THR A 228 -5.606 -10.349 -0.065 1.00 0.00 C ATOM 140 OG1 THR A 228 -6.400 -10.898 1.002 1.00 0.00 O ATOM 141 CG2 THR A 228 -6.095 -10.893 -1.422 1.00 0.00 C ATOM 0 H THR A 228 -4.718 -12.669 0.321 1.00 0.00 H new ATOM 0 HA THR A 228 -3.514 -10.256 -0.643 1.00 0.00 H new ATOM 0 HB THR A 228 -5.719 -9.265 -0.091 1.00 0.00 H new ATOM 0 HG1 THR A 228 -7.346 -10.698 0.842 1.00 0.00 H new ATOM 0 HG21 THR A 228 -7.150 -10.651 -1.552 1.00 0.00 H new ATOM 0 HG22 THR A 228 -5.517 -10.438 -2.226 1.00 0.00 H new ATOM 0 HG23 THR A 228 -5.965 -11.975 -1.449 1.00 0.00 H new ATOM 149 N PRO A 229 -3.203 -8.698 1.528 1.00 0.00 N ATOM 150 CA PRO A 229 -2.836 -7.974 2.785 1.00 0.00 C ATOM 151 C PRO A 229 -3.977 -7.999 3.828 1.00 0.00 C ATOM 152 O PRO A 229 -3.729 -7.872 5.030 1.00 0.00 O ATOM 153 CB PRO A 229 -2.542 -6.520 2.306 1.00 0.00 C ATOM 154 CG PRO A 229 -3.165 -6.433 0.944 1.00 0.00 C ATOM 155 CD PRO A 229 -3.031 -7.816 0.346 1.00 0.00 C ATOM 0 HA PRO A 229 -1.988 -8.436 3.290 1.00 0.00 H new ATOM 0 HB2 PRO A 229 -2.973 -5.785 2.986 1.00 0.00 H new ATOM 0 HB3 PRO A 229 -1.470 -6.326 2.264 1.00 0.00 H new ATOM 0 HG2 PRO A 229 -4.211 -6.134 1.010 1.00 0.00 H new ATOM 0 HG3 PRO A 229 -2.659 -5.689 0.328 1.00 0.00 H new ATOM 0 HD2 PRO A 229 -3.789 -8.004 -0.414 1.00 0.00 H new ATOM 0 HD3 PRO A 229 -2.061 -7.960 -0.129 1.00 0.00 H new ATOM 163 N GLU A 230 -5.220 -8.176 3.331 1.00 0.00 N ATOM 164 CA GLU A 230 -6.416 -8.294 4.160 1.00 0.00 C ATOM 165 C GLU A 230 -6.349 -9.552 5.048 1.00 0.00 C ATOM 166 O GLU A 230 -6.617 -9.456 6.230 1.00 0.00 O ATOM 167 CB GLU A 230 -7.682 -8.325 3.275 1.00 0.00 C ATOM 168 CG GLU A 230 -9.010 -8.272 4.060 1.00 0.00 C ATOM 169 CD GLU A 230 -10.247 -8.386 3.157 1.00 0.00 C ATOM 170 OE1 GLU A 230 -10.660 -7.374 2.557 1.00 0.00 O ATOM 171 OE2 GLU A 230 -10.794 -9.499 3.025 1.00 0.00 O ATOM 0 H GLU A 230 -5.412 -8.240 2.331 1.00 0.00 H new ATOM 0 HA GLU A 230 -6.466 -7.422 4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 230 -7.648 -7.482 2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 230 -7.667 -9.233 2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 230 -9.026 -9.080 4.791 1.00 0.00 H new ATOM 0 HG3 GLU A 230 -9.059 -7.336 4.617 1.00 0.00 H new ATOM 178 N GLU A 231 -5.963 -10.713 4.458 1.00 0.00 N ATOM 179 CA GLU A 231 -5.850 -12.017 5.177 1.00 0.00 C ATOM 180 C GLU A 231 -4.972 -11.907 6.438 1.00 0.00 C ATOM 181 O GLU A 231 -5.305 -12.462 7.493 1.00 0.00 O ATOM 182 CB GLU A 231 -5.261 -13.117 4.235 1.00 0.00 C ATOM 183 CG GLU A 231 -6.171 -13.539 3.067 1.00 0.00 C ATOM 184 CD GLU A 231 -7.449 -14.281 3.524 1.00 0.00 C ATOM 185 OE1 GLU A 231 -7.383 -15.511 3.752 1.00 0.00 O ATOM 186 OE2 GLU A 231 -8.521 -13.645 3.644 1.00 0.00 O ATOM 0 H GLU A 231 -5.720 -10.775 3.469 1.00 0.00 H new ATOM 0 HA GLU A 231 -6.858 -12.296 5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -4.318 -12.755 3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.032 -13.999 4.833 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -6.457 -12.653 2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -5.608 -14.182 2.391 1.00 0.00 H new ATOM 193 N ILE A 232 -3.861 -11.165 6.312 1.00 0.00 N ATOM 194 CA ILE A 232 -2.875 -11.022 7.385 1.00 0.00 C ATOM 195 C ILE A 232 -3.378 -10.041 8.460 1.00 0.00 C ATOM 196 O ILE A 232 -3.375 -10.360 9.653 1.00 0.00 O ATOM 197 CB ILE A 232 -1.449 -10.599 6.853 1.00 0.00 C ATOM 198 CG1 ILE A 232 -0.859 -11.672 5.860 1.00 0.00 C ATOM 199 CG2 ILE A 232 -0.474 -10.368 8.032 1.00 0.00 C ATOM 200 CD1 ILE A 232 -1.375 -11.608 4.438 1.00 0.00 C ATOM 0 H ILE A 232 -3.625 -10.650 5.464 1.00 0.00 H new ATOM 0 HA ILE A 232 -2.756 -12.006 7.838 1.00 0.00 H new ATOM 0 HB ILE A 232 -1.568 -9.665 6.305 1.00 0.00 H new ATOM 0 HG12 ILE A 232 0.225 -11.562 5.838 1.00 0.00 H new ATOM 0 HG13 ILE A 232 -1.071 -12.664 6.259 1.00 0.00 H new ATOM 0 HG21 ILE A 232 0.503 -10.077 7.645 1.00 0.00 H new ATOM 0 HG22 ILE A 232 -0.860 -9.576 8.674 1.00 0.00 H new ATOM 0 HG23 ILE A 232 -0.377 -11.288 8.609 1.00 0.00 H new ATOM 0 HD11 ILE A 232 -0.903 -12.390 3.844 1.00 0.00 H new ATOM 0 HD12 ILE A 232 -2.455 -11.753 4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 232 -1.139 -10.634 4.009 1.00 0.00 H new ATOM 212 N GLU A 233 -3.847 -8.858 8.033 1.00 0.00 N ATOM 213 CA GLU A 233 -4.375 -7.832 8.959 1.00 0.00 C ATOM 214 C GLU A 233 -5.636 -8.357 9.686 1.00 0.00 C ATOM 215 O GLU A 233 -5.911 -7.975 10.827 1.00 0.00 O ATOM 216 CB GLU A 233 -4.693 -6.524 8.192 1.00 0.00 C ATOM 217 CG GLU A 233 -5.155 -5.352 9.087 1.00 0.00 C ATOM 218 CD GLU A 233 -5.440 -4.056 8.308 1.00 0.00 C ATOM 219 OE1 GLU A 233 -4.509 -3.237 8.129 1.00 0.00 O ATOM 220 OE2 GLU A 233 -6.585 -3.859 7.856 1.00 0.00 O ATOM 0 H GLU A 233 -3.873 -8.584 7.051 1.00 0.00 H new ATOM 0 HA GLU A 233 -3.613 -7.615 9.707 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -3.804 -6.216 7.641 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -5.469 -6.730 7.455 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -6.056 -5.649 9.623 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -4.389 -5.154 9.836 1.00 0.00 H new ATOM 227 N LYS A 234 -6.368 -9.262 9.014 1.00 0.00 N ATOM 228 CA LYS A 234 -7.587 -9.872 9.551 1.00 0.00 C ATOM 229 C LYS A 234 -7.245 -10.967 10.570 1.00 0.00 C ATOM 230 O LYS A 234 -7.921 -11.077 11.581 1.00 0.00 O ATOM 231 CB LYS A 234 -8.467 -10.451 8.418 1.00 0.00 C ATOM 232 CG LYS A 234 -9.821 -11.027 8.878 1.00 0.00 C ATOM 233 CD LYS A 234 -10.728 -9.967 9.548 1.00 0.00 C ATOM 234 CE LYS A 234 -12.043 -10.571 10.064 1.00 0.00 C ATOM 235 NZ LYS A 234 -12.948 -9.546 10.648 1.00 0.00 N ATOM 0 H LYS A 234 -6.126 -9.590 8.079 1.00 0.00 H new ATOM 0 HA LYS A 234 -8.153 -9.090 10.057 1.00 0.00 H new ATOM 0 HB2 LYS A 234 -8.653 -9.666 7.685 1.00 0.00 H new ATOM 0 HB3 LYS A 234 -7.908 -11.237 7.909 1.00 0.00 H new ATOM 0 HG2 LYS A 234 -10.340 -11.452 8.019 1.00 0.00 H new ATOM 0 HG3 LYS A 234 -9.644 -11.843 9.579 1.00 0.00 H new ATOM 0 HD2 LYS A 234 -10.192 -9.505 10.377 1.00 0.00 H new ATOM 0 HD3 LYS A 234 -10.950 -9.176 8.832 1.00 0.00 H new ATOM 0 HE2 LYS A 234 -12.553 -11.077 9.244 1.00 0.00 H new ATOM 0 HE3 LYS A 234 -11.821 -11.327 10.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 234 -13.904 -9.943 10.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 234 -12.593 -9.261 11.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 234 -12.981 -8.716 10.023 1.00 0.00 H new ATOM 249 N LEU A 235 -6.194 -11.778 10.296 1.00 0.00 N ATOM 250 CA LEU A 235 -5.741 -12.828 11.244 1.00 0.00 C ATOM 251 C LEU A 235 -5.239 -12.167 12.541 1.00 0.00 C ATOM 252 O LEU A 235 -5.404 -12.705 13.640 1.00 0.00 O ATOM 253 CB LEU A 235 -4.673 -13.791 10.587 1.00 0.00 C ATOM 254 CG LEU A 235 -3.156 -13.367 10.534 1.00 0.00 C ATOM 255 CD1 LEU A 235 -2.429 -13.645 11.862 1.00 0.00 C ATOM 256 CD2 LEU A 235 -2.413 -14.054 9.364 1.00 0.00 C ATOM 0 H LEU A 235 -5.648 -11.727 9.436 1.00 0.00 H new ATOM 0 HA LEU A 235 -6.586 -13.467 11.500 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -4.725 -14.742 11.117 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -4.993 -13.979 9.562 1.00 0.00 H new ATOM 0 HG LEU A 235 -3.144 -12.290 10.365 1.00 0.00 H new ATOM 0 HD11 LEU A 235 -1.387 -13.337 11.778 1.00 0.00 H new ATOM 0 HD12 LEU A 235 -2.909 -13.085 12.664 1.00 0.00 H new ATOM 0 HD13 LEU A 235 -2.475 -14.711 12.086 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.370 -13.737 9.359 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -2.463 -15.136 9.486 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -2.881 -13.773 8.421 1.00 0.00 H new ATOM 268 N LYS A 236 -4.628 -10.990 12.372 1.00 0.00 N ATOM 269 CA LYS A 236 -4.119 -10.161 13.468 1.00 0.00 C ATOM 270 C LYS A 236 -5.265 -9.480 14.242 1.00 0.00 C ATOM 271 O LYS A 236 -5.176 -9.329 15.456 1.00 0.00 O ATOM 272 CB LYS A 236 -3.142 -9.114 12.884 1.00 0.00 C ATOM 273 CG LYS A 236 -1.780 -9.705 12.428 1.00 0.00 C ATOM 274 CD LYS A 236 -1.024 -8.792 11.436 1.00 0.00 C ATOM 275 CE LYS A 236 -0.827 -7.350 11.943 1.00 0.00 C ATOM 276 NZ LYS A 236 -0.057 -7.292 13.214 1.00 0.00 N ATOM 0 H LYS A 236 -4.471 -10.579 11.452 1.00 0.00 H new ATOM 0 HA LYS A 236 -3.593 -10.795 14.182 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -3.617 -8.624 12.034 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -2.959 -8.345 13.634 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -1.154 -9.877 13.304 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -1.950 -10.676 11.962 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -0.048 -9.230 11.226 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -1.571 -8.764 10.493 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -0.308 -6.768 11.181 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -1.801 -6.884 12.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 0.047 -6.301 13.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -0.563 -7.823 13.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 0.884 -7.711 13.069 1.00 0.00 H new ATOM 290 N GLU A 237 -6.334 -9.073 13.524 1.00 0.00 N ATOM 291 CA GLU A 237 -7.569 -8.527 14.134 1.00 0.00 C ATOM 292 C GLU A 237 -8.210 -9.612 15.014 1.00 0.00 C ATOM 293 O GLU A 237 -8.559 -9.373 16.180 1.00 0.00 O ATOM 294 CB GLU A 237 -8.542 -8.046 13.005 1.00 0.00 C ATOM 295 CG GLU A 237 -9.859 -7.351 13.461 1.00 0.00 C ATOM 296 CD GLU A 237 -10.963 -8.310 13.959 1.00 0.00 C ATOM 297 OE1 GLU A 237 -11.541 -9.042 13.134 1.00 0.00 O ATOM 298 OE2 GLU A 237 -11.266 -8.331 15.171 1.00 0.00 O ATOM 0 H GLU A 237 -6.367 -9.113 12.505 1.00 0.00 H new ATOM 0 HA GLU A 237 -7.339 -7.666 14.762 1.00 0.00 H new ATOM 0 HB2 GLU A 237 -7.999 -7.355 12.360 1.00 0.00 H new ATOM 0 HB3 GLU A 237 -8.807 -8.909 12.395 1.00 0.00 H new ATOM 0 HG2 GLU A 237 -9.623 -6.647 14.259 1.00 0.00 H new ATOM 0 HG3 GLU A 237 -10.253 -6.769 12.628 1.00 0.00 H new ATOM 305 N LEU A 238 -8.326 -10.814 14.428 1.00 0.00 N ATOM 306 CA LEU A 238 -8.838 -12.007 15.106 1.00 0.00 C ATOM 307 C LEU A 238 -7.930 -12.383 16.297 1.00 0.00 C ATOM 308 O LEU A 238 -8.410 -12.915 17.285 1.00 0.00 O ATOM 309 CB LEU A 238 -8.946 -13.201 14.110 1.00 0.00 C ATOM 310 CG LEU A 238 -9.969 -13.044 12.935 1.00 0.00 C ATOM 311 CD1 LEU A 238 -9.868 -14.220 11.942 1.00 0.00 C ATOM 312 CD2 LEU A 238 -11.414 -12.877 13.453 1.00 0.00 C ATOM 0 H LEU A 238 -8.062 -10.983 13.457 1.00 0.00 H new ATOM 0 HA LEU A 238 -9.835 -11.783 15.486 1.00 0.00 H new ATOM 0 HB2 LEU A 238 -7.959 -13.377 13.681 1.00 0.00 H new ATOM 0 HB3 LEU A 238 -9.212 -14.094 14.676 1.00 0.00 H new ATOM 0 HG LEU A 238 -9.706 -12.131 12.400 1.00 0.00 H new ATOM 0 HD11 LEU A 238 -10.591 -14.081 11.138 1.00 0.00 H new ATOM 0 HD12 LEU A 238 -8.862 -14.257 11.523 1.00 0.00 H new ATOM 0 HD13 LEU A 238 -10.079 -15.154 12.462 1.00 0.00 H new ATOM 0 HD21 LEU A 238 -12.094 -12.771 12.607 1.00 0.00 H new ATOM 0 HD22 LEU A 238 -11.695 -13.754 14.037 1.00 0.00 H new ATOM 0 HD23 LEU A 238 -11.475 -11.988 14.081 1.00 0.00 H new ATOM 324 N ARG A 239 -6.617 -12.096 16.189 1.00 0.00 N ATOM 325 CA ARG A 239 -5.658 -12.312 17.300 1.00 0.00 C ATOM 326 C ARG A 239 -5.966 -11.372 18.480 1.00 0.00 C ATOM 327 O ARG A 239 -5.906 -11.791 19.633 1.00 0.00 O ATOM 328 CB ARG A 239 -4.179 -12.129 16.849 1.00 0.00 C ATOM 329 CG ARG A 239 -3.157 -12.381 17.980 1.00 0.00 C ATOM 330 CD ARG A 239 -1.723 -11.987 17.614 1.00 0.00 C ATOM 331 NE ARG A 239 -0.825 -12.161 18.770 1.00 0.00 N ATOM 332 CZ ARG A 239 0.491 -12.418 18.719 1.00 0.00 C ATOM 333 NH1 ARG A 239 1.099 -12.653 17.564 1.00 0.00 N ATOM 334 NH2 ARG A 239 1.177 -12.490 19.840 1.00 0.00 N ATOM 0 H ARG A 239 -6.193 -11.713 15.344 1.00 0.00 H new ATOM 0 HA ARG A 239 -5.780 -13.346 17.622 1.00 0.00 H new ATOM 0 HB2 ARG A 239 -3.972 -12.810 16.024 1.00 0.00 H new ATOM 0 HB3 ARG A 239 -4.046 -11.117 16.468 1.00 0.00 H new ATOM 0 HG2 ARG A 239 -3.463 -11.823 18.865 1.00 0.00 H new ATOM 0 HG3 ARG A 239 -3.177 -13.438 18.247 1.00 0.00 H new ATOM 0 HD2 ARG A 239 -1.374 -12.597 16.781 1.00 0.00 H new ATOM 0 HD3 ARG A 239 -1.699 -10.949 17.281 1.00 0.00 H new ATOM 0 HE ARG A 239 -1.244 -12.078 19.696 1.00 0.00 H new ATOM 0 HH11 ARG A 239 0.565 -12.640 16.695 1.00 0.00 H new ATOM 0 HH12 ARG A 239 2.100 -12.846 17.545 1.00 0.00 H new ATOM 0 HH21 ARG A 239 0.708 -12.351 20.735 1.00 0.00 H new ATOM 0 HH22 ARG A 239 2.178 -12.685 19.814 1.00 0.00 H new ATOM 348 N ILE A 240 -6.305 -10.105 18.176 1.00 0.00 N ATOM 349 CA ILE A 240 -6.608 -9.080 19.206 1.00 0.00 C ATOM 350 C ILE A 240 -7.791 -9.530 20.105 1.00 0.00 C ATOM 351 O ILE A 240 -7.799 -9.291 21.319 1.00 0.00 O ATOM 352 CB ILE A 240 -6.934 -7.677 18.549 1.00 0.00 C ATOM 353 CG1 ILE A 240 -5.765 -7.185 17.627 1.00 0.00 C ATOM 354 CG2 ILE A 240 -7.273 -6.608 19.613 1.00 0.00 C ATOM 355 CD1 ILE A 240 -4.392 -7.124 18.284 1.00 0.00 C ATOM 0 H ILE A 240 -6.378 -9.760 17.219 1.00 0.00 H new ATOM 0 HA ILE A 240 -5.717 -8.970 19.824 1.00 0.00 H new ATOM 0 HB ILE A 240 -7.818 -7.821 17.927 1.00 0.00 H new ATOM 0 HG12 ILE A 240 -5.705 -7.846 16.762 1.00 0.00 H new ATOM 0 HG13 ILE A 240 -6.014 -6.192 17.253 1.00 0.00 H new ATOM 0 HG21 ILE A 240 -7.490 -5.660 19.120 1.00 0.00 H new ATOM 0 HG22 ILE A 240 -8.144 -6.928 20.185 1.00 0.00 H new ATOM 0 HG23 ILE A 240 -6.424 -6.481 20.285 1.00 0.00 H new ATOM 0 HD11 ILE A 240 -3.657 -6.772 17.560 1.00 0.00 H new ATOM 0 HD12 ILE A 240 -4.424 -6.439 19.131 1.00 0.00 H new ATOM 0 HD13 ILE A 240 -4.111 -8.118 18.632 1.00 0.00 H new ATOM 367 N LYS A 241 -8.763 -10.221 19.489 1.00 0.00 N ATOM 368 CA LYS A 241 -9.987 -10.668 20.169 1.00 0.00 C ATOM 369 C LYS A 241 -9.792 -12.087 20.770 1.00 0.00 C ATOM 370 O LYS A 241 -9.933 -12.270 21.981 1.00 0.00 O ATOM 371 CB LYS A 241 -11.171 -10.577 19.154 1.00 0.00 C ATOM 372 CG LYS A 241 -12.597 -10.610 19.773 1.00 0.00 C ATOM 373 CD LYS A 241 -13.124 -12.031 20.079 1.00 0.00 C ATOM 374 CE LYS A 241 -13.377 -12.854 18.806 1.00 0.00 C ATOM 375 NZ LYS A 241 -14.397 -12.226 17.924 1.00 0.00 N ATOM 0 H LYS A 241 -8.722 -10.485 18.505 1.00 0.00 H new ATOM 0 HA LYS A 241 -10.221 -10.024 21.017 1.00 0.00 H new ATOM 0 HB2 LYS A 241 -11.065 -9.655 18.582 1.00 0.00 H new ATOM 0 HB3 LYS A 241 -11.083 -11.402 18.447 1.00 0.00 H new ATOM 0 HG2 LYS A 241 -12.594 -10.030 20.696 1.00 0.00 H new ATOM 0 HG3 LYS A 241 -13.289 -10.118 19.089 1.00 0.00 H new ATOM 0 HD2 LYS A 241 -12.404 -12.554 20.708 1.00 0.00 H new ATOM 0 HD3 LYS A 241 -14.050 -11.956 20.649 1.00 0.00 H new ATOM 0 HE2 LYS A 241 -12.443 -12.965 18.256 1.00 0.00 H new ATOM 0 HE3 LYS A 241 -13.706 -13.856 19.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 241 -14.697 -12.909 17.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 241 -15.220 -11.942 18.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 241 -13.989 -11.388 17.463 1.00 0.00 H new ATOM 389 N HIS A 242 -9.473 -13.081 19.909 1.00 0.00 N ATOM 390 CA HIS A 242 -9.280 -14.506 20.320 1.00 0.00 C ATOM 391 C HIS A 242 -8.075 -14.668 21.266 1.00 0.00 C ATOM 392 O HIS A 242 -8.182 -15.290 22.327 1.00 0.00 O ATOM 393 CB HIS A 242 -9.072 -15.435 19.087 1.00 0.00 C ATOM 394 CG HIS A 242 -10.286 -15.614 18.210 1.00 0.00 C ATOM 395 ND1 HIS A 242 -11.196 -16.629 18.399 1.00 0.00 N ATOM 396 CD2 HIS A 242 -10.725 -14.922 17.132 1.00 0.00 C ATOM 397 CE1 HIS A 242 -12.133 -16.551 17.478 1.00 0.00 C ATOM 398 NE2 HIS A 242 -11.871 -15.526 16.701 1.00 0.00 N ATOM 0 H HIS A 242 -9.341 -12.926 18.910 1.00 0.00 H new ATOM 0 HA HIS A 242 -10.191 -14.797 20.844 1.00 0.00 H new ATOM 0 HB2 HIS A 242 -8.261 -15.032 18.481 1.00 0.00 H new ATOM 0 HB3 HIS A 242 -8.750 -16.415 19.440 1.00 0.00 H new ATOM 0 HD1 HIS A 242 -11.151 -17.332 19.137 1.00 0.00 H new ATOM 0 HD2 HIS A 242 -10.256 -14.053 16.694 1.00 0.00 H new ATOM 0 HE1 HIS A 242 -12.976 -17.218 17.378 1.00 0.00 H new ATOM 407 N GLY A 243 -6.937 -14.100 20.858 1.00 0.00 N ATOM 408 CA GLY A 243 -5.675 -14.235 21.586 1.00 0.00 C ATOM 409 C GLY A 243 -4.732 -15.220 20.906 1.00 0.00 C ATOM 410 O GLY A 243 -4.519 -15.137 19.688 1.00 0.00 O ATOM 0 H GLY A 243 -6.866 -13.533 20.013 1.00 0.00 H new ATOM 0 HA2 GLY A 243 -5.192 -13.261 21.659 1.00 0.00 H new ATOM 0 HA3 GLY A 243 -5.876 -14.568 22.604 1.00 0.00 H new ATOM 414 N ASN A 244 -4.185 -16.162 21.695 1.00 0.00 N ATOM 415 CA ASN A 244 -3.256 -17.210 21.209 1.00 0.00 C ATOM 416 C ASN A 244 -4.014 -18.369 20.518 1.00 0.00 C ATOM 417 O ASN A 244 -3.397 -19.351 20.090 1.00 0.00 O ATOM 418 CB ASN A 244 -2.421 -17.766 22.393 1.00 0.00 C ATOM 419 CG ASN A 244 -1.489 -16.741 23.045 1.00 0.00 C ATOM 420 OD1 ASN A 244 -0.957 -15.847 22.386 1.00 0.00 O ATOM 421 ND2 ASN A 244 -1.273 -16.871 24.346 1.00 0.00 N ATOM 0 H ASN A 244 -4.374 -16.222 22.696 1.00 0.00 H new ATOM 0 HA ASN A 244 -2.595 -16.753 20.473 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -3.101 -18.154 23.151 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -1.825 -18.607 22.038 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -0.652 -16.221 24.827 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -1.728 -17.621 24.866 1.00 0.00 H new ATOM 428 N ASP A 245 -5.352 -18.262 20.452 1.00 0.00 N ATOM 429 CA ASP A 245 -6.217 -19.221 19.754 1.00 0.00 C ATOM 430 C ASP A 245 -6.096 -19.032 18.226 1.00 0.00 C ATOM 431 O ASP A 245 -6.903 -18.339 17.603 1.00 0.00 O ATOM 432 CB ASP A 245 -7.681 -19.042 20.260 1.00 0.00 C ATOM 433 CG ASP A 245 -8.758 -19.799 19.453 1.00 0.00 C ATOM 434 OD1 ASP A 245 -8.551 -20.976 19.076 1.00 0.00 O ATOM 435 OD2 ASP A 245 -9.844 -19.224 19.221 1.00 0.00 O ATOM 0 H ASP A 245 -5.867 -17.497 20.888 1.00 0.00 H new ATOM 0 HA ASP A 245 -5.906 -20.243 19.971 1.00 0.00 H new ATOM 0 HB2 ASP A 245 -7.731 -19.371 21.298 1.00 0.00 H new ATOM 0 HB3 ASP A 245 -7.924 -17.979 20.250 1.00 0.00 H new ATOM 440 N TRP A 246 -5.040 -19.633 17.646 1.00 0.00 N ATOM 441 CA TRP A 246 -4.790 -19.622 16.190 1.00 0.00 C ATOM 442 C TRP A 246 -5.745 -20.577 15.457 1.00 0.00 C ATOM 443 O TRP A 246 -5.957 -20.441 14.244 1.00 0.00 O ATOM 444 CB TRP A 246 -3.324 -20.012 15.889 1.00 0.00 C ATOM 445 CG TRP A 246 -2.317 -19.149 16.605 1.00 0.00 C ATOM 446 CD1 TRP A 246 -1.509 -19.513 17.648 1.00 0.00 C ATOM 447 CD2 TRP A 246 -2.021 -17.768 16.333 1.00 0.00 C ATOM 448 NE1 TRP A 246 -0.730 -18.455 18.030 1.00 0.00 N ATOM 449 CE2 TRP A 246 -1.019 -17.378 17.237 1.00 0.00 C ATOM 450 CE3 TRP A 246 -2.488 -16.835 15.397 1.00 0.00 C ATOM 451 CZ2 TRP A 246 -0.491 -16.092 17.251 1.00 0.00 C ATOM 452 CZ3 TRP A 246 -1.965 -15.560 15.411 1.00 0.00 C ATOM 453 CH2 TRP A 246 -0.971 -15.202 16.332 1.00 0.00 C ATOM 0 H TRP A 246 -4.333 -20.142 18.176 1.00 0.00 H new ATOM 0 HA TRP A 246 -4.971 -18.609 15.829 1.00 0.00 H new ATOM 0 HB2 TRP A 246 -3.167 -21.053 16.173 1.00 0.00 H new ATOM 0 HB3 TRP A 246 -3.151 -19.945 14.815 1.00 0.00 H new ATOM 0 HD1 TRP A 246 -1.489 -20.492 18.103 1.00 0.00 H new ATOM 0 HE1 TRP A 246 -0.044 -18.467 18.785 1.00 0.00 H new ATOM 0 HE3 TRP A 246 -3.245 -17.111 14.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 246 0.270 -15.807 17.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 246 -2.325 -14.828 14.704 1.00 0.00 H new ATOM 0 HH2 TRP A 246 -0.575 -14.198 16.315 1.00 0.00 H new ATOM 464 N ALA A 247 -6.293 -21.550 16.214 1.00 0.00 N ATOM 465 CA ALA A 247 -7.162 -22.606 15.680 1.00 0.00 C ATOM 466 C ALA A 247 -8.430 -22.027 15.022 1.00 0.00 C ATOM 467 O ALA A 247 -8.741 -22.355 13.874 1.00 0.00 O ATOM 468 CB ALA A 247 -7.525 -23.595 16.804 1.00 0.00 C ATOM 0 H ALA A 247 -6.140 -21.621 17.220 1.00 0.00 H new ATOM 0 HA ALA A 247 -6.616 -23.136 14.900 1.00 0.00 H new ATOM 0 HB1 ALA A 247 -8.170 -24.378 16.405 1.00 0.00 H new ATOM 0 HB2 ALA A 247 -6.615 -24.043 17.203 1.00 0.00 H new ATOM 0 HB3 ALA A 247 -8.047 -23.065 17.600 1.00 0.00 H new ATOM 474 N THR A 248 -9.123 -21.122 15.740 1.00 0.00 N ATOM 475 CA THR A 248 -10.381 -20.523 15.244 1.00 0.00 C ATOM 476 C THR A 248 -10.099 -19.352 14.278 1.00 0.00 C ATOM 477 O THR A 248 -10.929 -19.047 13.422 1.00 0.00 O ATOM 478 CB THR A 248 -11.291 -20.042 16.417 1.00 0.00 C ATOM 479 OG1 THR A 248 -11.334 -21.049 17.439 1.00 0.00 O ATOM 480 CG2 THR A 248 -12.733 -19.729 15.958 1.00 0.00 C ATOM 0 H THR A 248 -8.836 -20.790 16.661 1.00 0.00 H new ATOM 0 HA THR A 248 -10.912 -21.304 14.700 1.00 0.00 H new ATOM 0 HB THR A 248 -10.857 -19.119 16.802 1.00 0.00 H new ATOM 0 HG1 THR A 248 -10.933 -20.698 18.262 1.00 0.00 H new ATOM 0 HG21 THR A 248 -13.323 -19.399 16.813 1.00 0.00 H new ATOM 0 HG22 THR A 248 -12.712 -18.941 15.205 1.00 0.00 H new ATOM 0 HG23 THR A 248 -13.182 -20.626 15.532 1.00 0.00 H new ATOM 488 N ILE A 249 -8.923 -18.701 14.428 1.00 0.00 N ATOM 489 CA ILE A 249 -8.468 -17.639 13.502 1.00 0.00 C ATOM 490 C ILE A 249 -8.315 -18.224 12.077 1.00 0.00 C ATOM 491 O ILE A 249 -8.977 -17.774 11.121 1.00 0.00 O ATOM 492 CB ILE A 249 -7.099 -17.008 13.990 1.00 0.00 C ATOM 493 CG1 ILE A 249 -7.285 -16.260 15.350 1.00 0.00 C ATOM 494 CG2 ILE A 249 -6.469 -16.071 12.927 1.00 0.00 C ATOM 495 CD1 ILE A 249 -5.999 -15.714 15.955 1.00 0.00 C ATOM 0 H ILE A 249 -8.269 -18.894 15.186 1.00 0.00 H new ATOM 0 HA ILE A 249 -9.215 -16.845 13.487 1.00 0.00 H new ATOM 0 HB ILE A 249 -6.403 -17.834 14.139 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -7.981 -15.434 15.203 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -7.746 -16.942 16.064 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -5.533 -15.664 13.310 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -6.274 -16.635 12.015 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -7.157 -15.254 12.708 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -6.224 -15.212 16.896 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -5.306 -16.535 16.139 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -5.545 -15.004 15.264 1.00 0.00 H new ATOM 507 N GLY A 250 -7.469 -19.264 11.979 1.00 0.00 N ATOM 508 CA GLY A 250 -7.204 -19.959 10.725 1.00 0.00 C ATOM 509 C GLY A 250 -8.453 -20.610 10.147 1.00 0.00 C ATOM 510 O GLY A 250 -8.694 -20.524 8.950 1.00 0.00 O ATOM 0 H GLY A 250 -6.953 -19.641 12.774 1.00 0.00 H new ATOM 0 HA2 GLY A 250 -6.797 -19.253 10.001 1.00 0.00 H new ATOM 0 HA3 GLY A 250 -6.443 -20.722 10.889 1.00 0.00 H new ATOM 514 N ALA A 251 -9.254 -21.251 11.019 1.00 0.00 N ATOM 515 CA ALA A 251 -10.512 -21.928 10.627 1.00 0.00 C ATOM 516 C ALA A 251 -11.542 -20.943 10.034 1.00 0.00 C ATOM 517 O ALA A 251 -12.244 -21.273 9.065 1.00 0.00 O ATOM 518 CB ALA A 251 -11.108 -22.673 11.828 1.00 0.00 C ATOM 0 H ALA A 251 -9.050 -21.316 12.016 1.00 0.00 H new ATOM 0 HA ALA A 251 -10.268 -22.647 9.845 1.00 0.00 H new ATOM 0 HB1 ALA A 251 -12.032 -23.167 11.528 1.00 0.00 H new ATOM 0 HB2 ALA A 251 -10.397 -23.419 12.183 1.00 0.00 H new ATOM 0 HB3 ALA A 251 -11.319 -21.963 12.628 1.00 0.00 H new ATOM 524 N ALA A 252 -11.614 -19.733 10.621 1.00 0.00 N ATOM 525 CA ALA A 252 -12.548 -18.669 10.188 1.00 0.00 C ATOM 526 C ALA A 252 -12.161 -18.114 8.806 1.00 0.00 C ATOM 527 O ALA A 252 -13.027 -17.808 7.979 1.00 0.00 O ATOM 528 CB ALA A 252 -12.587 -17.542 11.232 1.00 0.00 C ATOM 0 H ALA A 252 -11.027 -19.463 11.410 1.00 0.00 H new ATOM 0 HA ALA A 252 -13.543 -19.105 10.102 1.00 0.00 H new ATOM 0 HB1 ALA A 252 -13.277 -16.765 10.903 1.00 0.00 H new ATOM 0 HB2 ALA A 252 -12.922 -17.943 12.188 1.00 0.00 H new ATOM 0 HB3 ALA A 252 -11.590 -17.117 11.346 1.00 0.00 H new ATOM 534 N LEU A 253 -10.848 -17.979 8.586 1.00 0.00 N ATOM 535 CA LEU A 253 -10.281 -17.522 7.300 1.00 0.00 C ATOM 536 C LEU A 253 -10.280 -18.646 6.238 1.00 0.00 C ATOM 537 O LEU A 253 -10.362 -18.374 5.037 1.00 0.00 O ATOM 538 CB LEU A 253 -8.836 -17.033 7.538 1.00 0.00 C ATOM 539 CG LEU A 253 -8.692 -15.730 8.380 1.00 0.00 C ATOM 540 CD1 LEU A 253 -7.265 -15.581 8.930 1.00 0.00 C ATOM 541 CD2 LEU A 253 -9.107 -14.487 7.556 1.00 0.00 C ATOM 0 H LEU A 253 -10.142 -18.183 9.293 1.00 0.00 H new ATOM 0 HA LEU A 253 -10.904 -16.712 6.920 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -8.281 -17.828 8.036 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -8.363 -16.872 6.569 1.00 0.00 H new ATOM 0 HG LEU A 253 -9.369 -15.806 9.231 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -7.194 -14.663 9.513 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -7.029 -16.434 9.566 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -6.558 -15.540 8.101 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -8.997 -13.592 8.168 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -8.470 -14.405 6.675 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -10.147 -14.588 7.244 1.00 0.00 H new ATOM 553 N GLY A 254 -10.181 -19.900 6.697 1.00 0.00 N ATOM 554 CA GLY A 254 -9.937 -21.049 5.813 1.00 0.00 C ATOM 555 C GLY A 254 -8.444 -21.327 5.612 1.00 0.00 C ATOM 556 O GLY A 254 -8.061 -22.139 4.768 1.00 0.00 O ATOM 0 H GLY A 254 -10.267 -20.147 7.683 1.00 0.00 H new ATOM 0 HA2 GLY A 254 -10.415 -21.934 6.233 1.00 0.00 H new ATOM 0 HA3 GLY A 254 -10.403 -20.864 4.845 1.00 0.00 H new ATOM 560 N ARG A 255 -7.601 -20.629 6.395 1.00 0.00 N ATOM 561 CA ARG A 255 -6.132 -20.781 6.374 1.00 0.00 C ATOM 562 C ARG A 255 -5.684 -21.819 7.418 1.00 0.00 C ATOM 563 O ARG A 255 -6.505 -22.363 8.167 1.00 0.00 O ATOM 564 CB ARG A 255 -5.454 -19.403 6.645 1.00 0.00 C ATOM 565 CG ARG A 255 -5.893 -18.244 5.708 1.00 0.00 C ATOM 566 CD ARG A 255 -5.482 -18.417 4.226 1.00 0.00 C ATOM 567 NE ARG A 255 -6.203 -19.509 3.540 1.00 0.00 N ATOM 568 CZ ARG A 255 -7.206 -19.348 2.665 1.00 0.00 C ATOM 569 NH1 ARG A 255 -7.643 -18.133 2.353 1.00 0.00 N ATOM 570 NH2 ARG A 255 -7.762 -20.414 2.113 1.00 0.00 N ATOM 0 H ARG A 255 -7.924 -19.935 7.069 1.00 0.00 H new ATOM 0 HA ARG A 255 -5.827 -21.136 5.390 1.00 0.00 H new ATOM 0 HB2 ARG A 255 -5.661 -19.112 7.675 1.00 0.00 H new ATOM 0 HB3 ARG A 255 -4.374 -19.526 6.560 1.00 0.00 H new ATOM 0 HG2 ARG A 255 -6.977 -18.144 5.761 1.00 0.00 H new ATOM 0 HG3 ARG A 255 -5.468 -17.312 6.082 1.00 0.00 H new ATOM 0 HD2 ARG A 255 -5.663 -17.482 3.695 1.00 0.00 H new ATOM 0 HD3 ARG A 255 -4.411 -18.610 4.174 1.00 0.00 H new ATOM 0 HE ARG A 255 -5.914 -20.464 3.749 1.00 0.00 H new ATOM 0 HH11 ARG A 255 -7.215 -17.312 2.780 1.00 0.00 H new ATOM 0 HH12 ARG A 255 -8.407 -18.021 1.686 1.00 0.00 H new ATOM 0 HH21 ARG A 255 -7.427 -21.347 2.354 1.00 0.00 H new ATOM 0 HH22 ARG A 255 -8.526 -20.303 1.446 1.00 0.00 H new ATOM 584 N SER A 256 -4.374 -22.095 7.447 1.00 0.00 N ATOM 585 CA SER A 256 -3.775 -23.013 8.423 1.00 0.00 C ATOM 586 C SER A 256 -3.449 -22.258 9.726 1.00 0.00 C ATOM 587 O SER A 256 -3.031 -21.090 9.682 1.00 0.00 O ATOM 588 CB SER A 256 -2.503 -23.654 7.820 1.00 0.00 C ATOM 589 OG SER A 256 -2.760 -24.222 6.542 1.00 0.00 O ATOM 0 H SER A 256 -3.701 -21.689 6.796 1.00 0.00 H new ATOM 0 HA SER A 256 -4.484 -23.807 8.660 1.00 0.00 H new ATOM 0 HB2 SER A 256 -1.721 -22.900 7.733 1.00 0.00 H new ATOM 0 HB3 SER A 256 -2.129 -24.425 8.493 1.00 0.00 H new ATOM 0 HG SER A 256 -1.936 -24.617 6.188 1.00 0.00 H new ATOM 595 N ALA A 257 -3.655 -22.928 10.876 1.00 0.00 N ATOM 596 CA ALA A 257 -3.343 -22.372 12.206 1.00 0.00 C ATOM 597 C ALA A 257 -1.830 -22.078 12.337 1.00 0.00 C ATOM 598 O ALA A 257 -1.427 -21.095 12.967 1.00 0.00 O ATOM 599 CB ALA A 257 -3.812 -23.332 13.312 1.00 0.00 C ATOM 0 H ALA A 257 -4.043 -23.871 10.909 1.00 0.00 H new ATOM 0 HA ALA A 257 -3.879 -21.430 12.320 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -3.574 -22.907 14.287 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -4.889 -23.480 13.233 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -3.305 -24.291 13.201 1.00 0.00 H new ATOM 605 N SER A 258 -1.020 -22.943 11.701 1.00 0.00 N ATOM 606 CA SER A 258 0.444 -22.797 11.629 1.00 0.00 C ATOM 607 C SER A 258 0.841 -21.564 10.792 1.00 0.00 C ATOM 608 O SER A 258 1.735 -20.806 11.183 1.00 0.00 O ATOM 609 CB SER A 258 1.050 -24.082 11.020 1.00 0.00 C ATOM 610 OG SER A 258 0.446 -24.377 9.766 1.00 0.00 O ATOM 0 H SER A 258 -1.367 -23.771 11.218 1.00 0.00 H new ATOM 0 HA SER A 258 0.835 -22.649 12.636 1.00 0.00 H new ATOM 0 HB2 SER A 258 2.125 -23.957 10.891 1.00 0.00 H new ATOM 0 HB3 SER A 258 0.906 -24.918 11.704 1.00 0.00 H new ATOM 0 HG SER A 258 0.844 -25.192 9.395 1.00 0.00 H new ATOM 616 N SER A 259 0.152 -21.375 9.644 1.00 0.00 N ATOM 617 CA SER A 259 0.414 -20.262 8.712 1.00 0.00 C ATOM 618 C SER A 259 0.116 -18.898 9.362 1.00 0.00 C ATOM 619 O SER A 259 0.926 -17.975 9.260 1.00 0.00 O ATOM 620 CB SER A 259 -0.415 -20.427 7.421 1.00 0.00 C ATOM 621 OG SER A 259 -0.147 -21.674 6.799 1.00 0.00 O ATOM 0 H SER A 259 -0.601 -21.992 9.340 1.00 0.00 H new ATOM 0 HA SER A 259 1.474 -20.290 8.459 1.00 0.00 H new ATOM 0 HB2 SER A 259 -1.477 -20.354 7.655 1.00 0.00 H new ATOM 0 HB3 SER A 259 -0.185 -19.616 6.731 1.00 0.00 H new ATOM 0 HG SER A 259 -0.685 -21.756 5.984 1.00 0.00 H new ATOM 627 N VAL A 260 -1.045 -18.789 10.043 1.00 0.00 N ATOM 628 CA VAL A 260 -1.469 -17.531 10.683 1.00 0.00 C ATOM 629 C VAL A 260 -0.590 -17.212 11.914 1.00 0.00 C ATOM 630 O VAL A 260 -0.243 -16.040 12.151 1.00 0.00 O ATOM 631 CB VAL A 260 -3.008 -17.523 11.057 1.00 0.00 C ATOM 632 CG1 VAL A 260 -3.887 -17.692 9.790 1.00 0.00 C ATOM 633 CG2 VAL A 260 -3.365 -18.579 12.129 1.00 0.00 C ATOM 0 H VAL A 260 -1.703 -19.559 10.162 1.00 0.00 H new ATOM 0 HA VAL A 260 -1.327 -16.740 9.946 1.00 0.00 H new ATOM 0 HB VAL A 260 -3.221 -16.549 11.497 1.00 0.00 H new ATOM 0 HG11 VAL A 260 -4.939 -17.683 10.074 1.00 0.00 H new ATOM 0 HG12 VAL A 260 -3.691 -16.872 9.099 1.00 0.00 H new ATOM 0 HG13 VAL A 260 -3.649 -18.639 9.306 1.00 0.00 H new ATOM 0 HG21 VAL A 260 -4.432 -18.530 12.347 1.00 0.00 H new ATOM 0 HG22 VAL A 260 -3.116 -19.573 11.757 1.00 0.00 H new ATOM 0 HG23 VAL A 260 -2.799 -18.380 13.039 1.00 0.00 H new ATOM 643 N LYS A 261 -0.193 -18.269 12.662 1.00 0.00 N ATOM 644 CA LYS A 261 0.709 -18.131 13.822 1.00 0.00 C ATOM 645 C LYS A 261 2.065 -17.565 13.384 1.00 0.00 C ATOM 646 O LYS A 261 2.538 -16.569 13.931 1.00 0.00 O ATOM 647 CB LYS A 261 0.926 -19.496 14.531 1.00 0.00 C ATOM 648 CG LYS A 261 1.856 -19.431 15.774 1.00 0.00 C ATOM 649 CD LYS A 261 2.116 -20.813 16.418 1.00 0.00 C ATOM 650 CE LYS A 261 2.847 -21.782 15.471 1.00 0.00 C ATOM 651 NZ LYS A 261 3.172 -23.067 16.139 1.00 0.00 N ATOM 0 H LYS A 261 -0.487 -19.228 12.479 1.00 0.00 H new ATOM 0 HA LYS A 261 0.238 -17.443 14.524 1.00 0.00 H new ATOM 0 HB2 LYS A 261 -0.043 -19.891 14.837 1.00 0.00 H new ATOM 0 HB3 LYS A 261 1.346 -20.202 13.814 1.00 0.00 H new ATOM 0 HG2 LYS A 261 2.809 -18.989 15.483 1.00 0.00 H new ATOM 0 HG3 LYS A 261 1.411 -18.770 16.517 1.00 0.00 H new ATOM 0 HD2 LYS A 261 2.708 -20.681 17.324 1.00 0.00 H new ATOM 0 HD3 LYS A 261 1.166 -21.254 16.719 1.00 0.00 H new ATOM 0 HE2 LYS A 261 2.225 -21.974 14.597 1.00 0.00 H new ATOM 0 HE3 LYS A 261 3.765 -21.316 15.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 3.663 -23.692 15.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 3.786 -22.887 16.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 2.294 -23.524 16.459 1.00 0.00 H new ATOM 665 N ASP A 262 2.653 -18.217 12.366 1.00 0.00 N ATOM 666 CA ASP A 262 3.976 -17.870 11.818 1.00 0.00 C ATOM 667 C ASP A 262 3.975 -16.445 11.249 1.00 0.00 C ATOM 668 O ASP A 262 4.881 -15.657 11.517 1.00 0.00 O ATOM 669 CB ASP A 262 4.383 -18.883 10.711 1.00 0.00 C ATOM 670 CG ASP A 262 5.754 -18.570 10.058 1.00 0.00 C ATOM 671 OD1 ASP A 262 6.796 -18.873 10.683 1.00 0.00 O ATOM 672 OD2 ASP A 262 5.797 -18.031 8.922 1.00 0.00 O ATOM 0 H ASP A 262 2.217 -19.010 11.895 1.00 0.00 H new ATOM 0 HA ASP A 262 4.703 -17.918 12.629 1.00 0.00 H new ATOM 0 HB2 ASP A 262 4.414 -19.884 11.140 1.00 0.00 H new ATOM 0 HB3 ASP A 262 3.615 -18.892 9.938 1.00 0.00 H new ATOM 677 N ARG A 263 2.917 -16.127 10.488 1.00 0.00 N ATOM 678 CA ARG A 263 2.803 -14.848 9.773 1.00 0.00 C ATOM 679 C ARG A 263 2.690 -13.663 10.755 1.00 0.00 C ATOM 680 O ARG A 263 3.230 -12.589 10.489 1.00 0.00 O ATOM 681 CB ARG A 263 1.597 -14.868 8.791 1.00 0.00 C ATOM 682 CG ARG A 263 1.575 -13.695 7.783 1.00 0.00 C ATOM 683 CD ARG A 263 2.825 -13.661 6.873 1.00 0.00 C ATOM 684 NE ARG A 263 2.893 -14.805 5.943 1.00 0.00 N ATOM 685 CZ ARG A 263 3.804 -15.790 5.985 1.00 0.00 C ATOM 686 NH1 ARG A 263 4.690 -15.878 6.976 1.00 0.00 N ATOM 687 NH2 ARG A 263 3.802 -16.707 5.044 1.00 0.00 N ATOM 0 H ARG A 263 2.119 -16.747 10.351 1.00 0.00 H new ATOM 0 HA ARG A 263 3.715 -14.712 9.192 1.00 0.00 H new ATOM 0 HB2 ARG A 263 1.610 -15.807 8.237 1.00 0.00 H new ATOM 0 HB3 ARG A 263 0.673 -14.852 9.369 1.00 0.00 H new ATOM 0 HG2 ARG A 263 0.682 -13.772 7.163 1.00 0.00 H new ATOM 0 HG3 ARG A 263 1.503 -12.754 8.329 1.00 0.00 H new ATOM 0 HD2 ARG A 263 2.825 -12.734 6.300 1.00 0.00 H new ATOM 0 HD3 ARG A 263 3.720 -13.652 7.495 1.00 0.00 H new ATOM 0 HE ARG A 263 2.189 -14.851 5.207 1.00 0.00 H new ATOM 0 HH11 ARG A 263 4.686 -15.187 7.726 1.00 0.00 H new ATOM 0 HH12 ARG A 263 5.372 -16.636 6.985 1.00 0.00 H new ATOM 0 HH21 ARG A 263 3.113 -16.665 4.293 1.00 0.00 H new ATOM 0 HH22 ARG A 263 4.489 -17.461 5.065 1.00 0.00 H new ATOM 701 N CYS A 264 1.975 -13.871 11.880 1.00 0.00 N ATOM 702 CA CYS A 264 1.849 -12.852 12.942 1.00 0.00 C ATOM 703 C CYS A 264 3.070 -12.835 13.887 1.00 0.00 C ATOM 704 O CYS A 264 3.378 -11.791 14.481 1.00 0.00 O ATOM 705 CB CYS A 264 0.560 -13.060 13.752 1.00 0.00 C ATOM 706 SG CYS A 264 0.179 -11.699 14.874 1.00 0.00 S ATOM 0 H CYS A 264 1.475 -14.738 12.076 1.00 0.00 H new ATOM 0 HA CYS A 264 1.805 -11.884 12.442 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -0.274 -13.195 13.063 1.00 0.00 H new ATOM 0 HB3 CYS A 264 0.649 -13.981 14.329 1.00 0.00 H new ATOM 0 HG CYS A 264 1.282 -11.112 15.234 1.00 0.00 H new ATOM 712 N ARG A 265 3.753 -13.991 14.038 1.00 0.00 N ATOM 713 CA ARG A 265 4.903 -14.119 14.966 1.00 0.00 C ATOM 714 C ARG A 265 6.112 -13.367 14.386 1.00 0.00 C ATOM 715 O ARG A 265 6.864 -12.715 15.116 1.00 0.00 O ATOM 716 CB ARG A 265 5.263 -15.608 15.248 1.00 0.00 C ATOM 717 CG ARG A 265 6.220 -15.819 16.447 1.00 0.00 C ATOM 718 CD ARG A 265 6.474 -17.305 16.779 1.00 0.00 C ATOM 719 NE ARG A 265 7.133 -17.477 18.092 1.00 0.00 N ATOM 720 CZ ARG A 265 8.453 -17.360 18.335 1.00 0.00 C ATOM 721 NH1 ARG A 265 9.303 -17.011 17.379 1.00 0.00 N ATOM 722 NH2 ARG A 265 8.912 -17.566 19.559 1.00 0.00 N ATOM 0 H ARG A 265 3.530 -14.848 13.532 1.00 0.00 H new ATOM 0 HA ARG A 265 4.621 -13.677 15.922 1.00 0.00 H new ATOM 0 HB2 ARG A 265 4.343 -16.163 15.431 1.00 0.00 H new ATOM 0 HB3 ARG A 265 5.720 -16.034 14.355 1.00 0.00 H new ATOM 0 HG2 ARG A 265 7.173 -15.335 16.231 1.00 0.00 H new ATOM 0 HG3 ARG A 265 5.804 -15.325 17.325 1.00 0.00 H new ATOM 0 HD2 ARG A 265 5.526 -17.844 16.776 1.00 0.00 H new ATOM 0 HD3 ARG A 265 7.095 -17.749 16.001 1.00 0.00 H new ATOM 0 HE ARG A 265 6.534 -17.705 18.885 1.00 0.00 H new ATOM 0 HH11 ARG A 265 8.962 -16.825 16.436 1.00 0.00 H new ATOM 0 HH12 ARG A 265 10.298 -16.929 17.587 1.00 0.00 H new ATOM 0 HH21 ARG A 265 8.268 -17.812 20.311 1.00 0.00 H new ATOM 0 HH22 ARG A 265 9.910 -17.479 19.751 1.00 0.00 H new