USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=8 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 256 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 259 SER OG : rot 180:sc= -0.58 USER MOD Single : A 227 TYR OH : rot 180:sc= -0.177 USER MOD Single : A 228 THR OG1 : rot -142:sc= -0.747 USER MOD Single : A 234 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 241 LYS NZ :NH3+ -142:sc= -0.479 (180deg=-3.05!) USER MOD Single : A 242 HIS : no HD1:sc= -0.0466 X(o=-0.047,f=0) USER MOD Single : A 244 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 248 THR OG1 : rot 180:sc= 0 USER MOD Single : A 258 SER OG : rot 180:sc= 0 USER MOD Single : A 261 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 264 CYS SG : rot -21:sc= -2.17! USER MOD ----------------------------------------------------------------- ATOM 114 N TYR A 227 -1.626 -15.526 -0.089 1.00 0.00 N ATOM 115 CA TYR A 227 -2.371 -14.751 0.919 1.00 0.00 C ATOM 116 C TYR A 227 -2.638 -13.320 0.425 1.00 0.00 C ATOM 117 O TYR A 227 -1.785 -12.714 -0.236 1.00 0.00 O ATOM 118 CB TYR A 227 -1.561 -14.684 2.238 1.00 0.00 C ATOM 119 CG TYR A 227 -1.388 -16.023 2.966 1.00 0.00 C ATOM 120 CD1 TYR A 227 -0.487 -16.984 2.501 1.00 0.00 C ATOM 121 CD2 TYR A 227 -2.137 -16.325 4.110 1.00 0.00 C ATOM 122 CE1 TYR A 227 -0.329 -18.182 3.155 1.00 0.00 C ATOM 123 CE2 TYR A 227 -1.977 -17.523 4.766 1.00 0.00 C ATOM 124 CZ TYR A 227 -1.080 -18.448 4.279 1.00 0.00 C ATOM 125 OH TYR A 227 -0.918 -19.636 4.927 1.00 0.00 O ATOM 0 HA TYR A 227 -3.324 -15.251 1.091 1.00 0.00 H new ATOM 0 HB2 TYR A 227 -0.574 -14.277 2.019 1.00 0.00 H new ATOM 0 HB3 TYR A 227 -2.052 -13.983 2.912 1.00 0.00 H new ATOM 0 HD1 TYR A 227 0.094 -16.782 1.614 1.00 0.00 H new ATOM 0 HD2 TYR A 227 -2.851 -15.606 4.483 1.00 0.00 H new ATOM 0 HE1 TYR A 227 0.380 -18.911 2.790 1.00 0.00 H new ATOM 0 HE2 TYR A 227 -2.550 -17.737 5.656 1.00 0.00 H new ATOM 0 HH TYR A 227 -1.518 -19.671 5.701 1.00 0.00 H new ATOM 135 N THR A 228 -3.821 -12.789 0.763 1.00 0.00 N ATOM 136 CA THR A 228 -4.157 -11.370 0.586 1.00 0.00 C ATOM 137 C THR A 228 -3.719 -10.602 1.849 1.00 0.00 C ATOM 138 O THR A 228 -3.734 -11.191 2.940 1.00 0.00 O ATOM 139 CB THR A 228 -5.701 -11.174 0.356 1.00 0.00 C ATOM 140 OG1 THR A 228 -6.433 -11.630 1.499 1.00 0.00 O ATOM 141 CG2 THR A 228 -6.198 -11.912 -0.902 1.00 0.00 C ATOM 0 H THR A 228 -4.578 -13.337 1.171 1.00 0.00 H new ATOM 0 HA THR A 228 -3.638 -10.990 -0.294 1.00 0.00 H new ATOM 0 HB THR A 228 -5.872 -10.108 0.208 1.00 0.00 H new ATOM 0 HG1 THR A 228 -7.257 -12.071 1.205 1.00 0.00 H new ATOM 0 HG21 THR A 228 -7.269 -11.748 -1.021 1.00 0.00 H new ATOM 0 HG22 THR A 228 -5.674 -11.531 -1.778 1.00 0.00 H new ATOM 0 HG23 THR A 228 -6.003 -12.979 -0.798 1.00 0.00 H new ATOM 149 N PRO A 229 -3.350 -9.278 1.749 1.00 0.00 N ATOM 150 CA PRO A 229 -3.044 -8.439 2.945 1.00 0.00 C ATOM 151 C PRO A 229 -4.242 -8.386 3.926 1.00 0.00 C ATOM 152 O PRO A 229 -4.058 -8.216 5.133 1.00 0.00 O ATOM 153 CB PRO A 229 -2.739 -7.038 2.336 1.00 0.00 C ATOM 154 CG PRO A 229 -3.379 -7.073 0.977 1.00 0.00 C ATOM 155 CD PRO A 229 -3.204 -8.492 0.493 1.00 0.00 C ATOM 0 HA PRO A 229 -2.217 -8.832 3.536 1.00 0.00 H new ATOM 0 HB2 PRO A 229 -3.154 -6.239 2.950 1.00 0.00 H new ATOM 0 HB3 PRO A 229 -1.666 -6.861 2.265 1.00 0.00 H new ATOM 0 HG2 PRO A 229 -4.434 -6.803 1.031 1.00 0.00 H new ATOM 0 HG3 PRO A 229 -2.903 -6.364 0.299 1.00 0.00 H new ATOM 0 HD2 PRO A 229 -3.957 -8.765 -0.247 1.00 0.00 H new ATOM 0 HD3 PRO A 229 -2.230 -8.646 0.028 1.00 0.00 H new ATOM 163 N GLU A 230 -5.457 -8.579 3.364 1.00 0.00 N ATOM 164 CA GLU A 230 -6.727 -8.637 4.106 1.00 0.00 C ATOM 165 C GLU A 230 -6.710 -9.773 5.148 1.00 0.00 C ATOM 166 O GLU A 230 -7.039 -9.545 6.306 1.00 0.00 O ATOM 167 CB GLU A 230 -7.890 -8.846 3.101 1.00 0.00 C ATOM 168 CG GLU A 230 -7.974 -7.764 2.005 1.00 0.00 C ATOM 169 CD GLU A 230 -9.004 -8.087 0.910 1.00 0.00 C ATOM 170 OE1 GLU A 230 -8.654 -8.802 -0.055 1.00 0.00 O ATOM 171 OE2 GLU A 230 -10.163 -7.633 1.003 1.00 0.00 O ATOM 0 H GLU A 230 -5.579 -8.701 2.359 1.00 0.00 H new ATOM 0 HA GLU A 230 -6.867 -7.699 4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 230 -7.776 -9.821 2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 230 -8.832 -8.867 3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 230 -8.230 -6.810 2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 230 -6.992 -7.644 1.547 1.00 0.00 H new ATOM 178 N GLU A 231 -6.280 -10.982 4.715 1.00 0.00 N ATOM 179 CA GLU A 231 -6.247 -12.195 5.571 1.00 0.00 C ATOM 180 C GLU A 231 -5.243 -12.062 6.737 1.00 0.00 C ATOM 181 O GLU A 231 -5.469 -12.626 7.814 1.00 0.00 O ATOM 182 CB GLU A 231 -5.926 -13.455 4.714 1.00 0.00 C ATOM 183 CG GLU A 231 -7.045 -13.840 3.724 1.00 0.00 C ATOM 184 CD GLU A 231 -6.658 -14.994 2.781 1.00 0.00 C ATOM 185 OE1 GLU A 231 -5.895 -14.753 1.814 1.00 0.00 O ATOM 186 OE2 GLU A 231 -7.105 -16.141 2.988 1.00 0.00 O ATOM 0 H GLU A 231 -5.947 -11.145 3.765 1.00 0.00 H new ATOM 0 HA GLU A 231 -7.237 -12.306 6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -5.006 -13.278 4.156 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.738 -14.297 5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -7.935 -14.123 4.286 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -7.309 -12.966 3.128 1.00 0.00 H new ATOM 193 N ILE A 232 -4.140 -11.314 6.523 1.00 0.00 N ATOM 194 CA ILE A 232 -3.107 -11.104 7.568 1.00 0.00 C ATOM 195 C ILE A 232 -3.603 -10.065 8.597 1.00 0.00 C ATOM 196 O ILE A 232 -3.542 -10.297 9.801 1.00 0.00 O ATOM 197 CB ILE A 232 -1.680 -10.707 6.981 1.00 0.00 C ATOM 198 CG1 ILE A 232 -0.989 -11.924 6.262 1.00 0.00 C ATOM 199 CG2 ILE A 232 -0.735 -10.149 8.085 1.00 0.00 C ATOM 200 CD1 ILE A 232 -1.675 -12.432 5.014 1.00 0.00 C ATOM 0 H ILE A 232 -3.939 -10.845 5.640 1.00 0.00 H new ATOM 0 HA ILE A 232 -2.958 -12.062 8.066 1.00 0.00 H new ATOM 0 HB ILE A 232 -1.858 -9.921 6.247 1.00 0.00 H new ATOM 0 HG12 ILE A 232 0.029 -11.636 6.001 1.00 0.00 H new ATOM 0 HG13 ILE A 232 -0.916 -12.747 6.973 1.00 0.00 H new ATOM 0 HG21 ILE A 232 0.227 -9.890 7.643 1.00 0.00 H new ATOM 0 HG22 ILE A 232 -1.181 -9.260 8.530 1.00 0.00 H new ATOM 0 HG23 ILE A 232 -0.589 -10.906 8.856 1.00 0.00 H new ATOM 0 HD11 ILE A 232 -1.111 -13.270 4.604 1.00 0.00 H new ATOM 0 HD12 ILE A 232 -2.684 -12.760 5.262 1.00 0.00 H new ATOM 0 HD13 ILE A 232 -1.725 -11.632 4.275 1.00 0.00 H new ATOM 212 N GLU A 233 -4.141 -8.939 8.114 1.00 0.00 N ATOM 213 CA GLU A 233 -4.711 -7.886 8.986 1.00 0.00 C ATOM 214 C GLU A 233 -5.956 -8.408 9.733 1.00 0.00 C ATOM 215 O GLU A 233 -6.272 -7.946 10.839 1.00 0.00 O ATOM 216 CB GLU A 233 -5.043 -6.634 8.146 1.00 0.00 C ATOM 217 CG GLU A 233 -3.803 -6.010 7.473 1.00 0.00 C ATOM 218 CD GLU A 233 -4.139 -4.807 6.586 1.00 0.00 C ATOM 219 OE1 GLU A 233 -4.411 -4.997 5.380 1.00 0.00 O ATOM 220 OE2 GLU A 233 -4.147 -3.667 7.095 1.00 0.00 O ATOM 0 H GLU A 233 -4.197 -8.726 7.118 1.00 0.00 H new ATOM 0 HA GLU A 233 -3.972 -7.610 9.738 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -5.770 -6.901 7.379 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -5.515 -5.889 8.786 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -3.097 -5.699 8.243 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -3.304 -6.769 6.871 1.00 0.00 H new ATOM 227 N LYS A 234 -6.629 -9.400 9.119 1.00 0.00 N ATOM 228 CA LYS A 234 -7.780 -10.088 9.716 1.00 0.00 C ATOM 229 C LYS A 234 -7.316 -11.094 10.783 1.00 0.00 C ATOM 230 O LYS A 234 -7.967 -11.216 11.817 1.00 0.00 O ATOM 231 CB LYS A 234 -8.632 -10.810 8.638 1.00 0.00 C ATOM 232 CG LYS A 234 -9.911 -11.504 9.174 1.00 0.00 C ATOM 233 CD LYS A 234 -10.871 -10.516 9.877 1.00 0.00 C ATOM 234 CE LYS A 234 -12.126 -11.200 10.434 1.00 0.00 C ATOM 235 NZ LYS A 234 -13.040 -10.229 11.078 1.00 0.00 N ATOM 0 H LYS A 234 -6.385 -9.745 8.191 1.00 0.00 H new ATOM 0 HA LYS A 234 -8.405 -9.331 10.190 1.00 0.00 H new ATOM 0 HB2 LYS A 234 -8.921 -10.084 7.878 1.00 0.00 H new ATOM 0 HB3 LYS A 234 -8.010 -11.557 8.145 1.00 0.00 H new ATOM 0 HG2 LYS A 234 -10.433 -11.986 8.347 1.00 0.00 H new ATOM 0 HG3 LYS A 234 -9.628 -12.290 9.874 1.00 0.00 H new ATOM 0 HD2 LYS A 234 -10.342 -10.020 10.691 1.00 0.00 H new ATOM 0 HD3 LYS A 234 -11.169 -9.741 9.171 1.00 0.00 H new ATOM 0 HE2 LYS A 234 -12.650 -11.712 9.627 1.00 0.00 H new ATOM 0 HE3 LYS A 234 -11.835 -11.961 11.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 234 -13.876 -10.728 11.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 234 -12.548 -9.758 11.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 234 -13.338 -9.518 10.380 1.00 0.00 H new ATOM 249 N LEU A 235 -6.188 -11.811 10.533 1.00 0.00 N ATOM 250 CA LEU A 235 -5.640 -12.789 11.507 1.00 0.00 C ATOM 251 C LEU A 235 -5.201 -12.045 12.774 1.00 0.00 C ATOM 252 O LEU A 235 -5.341 -12.555 13.885 1.00 0.00 O ATOM 253 CB LEU A 235 -4.480 -13.678 10.885 1.00 0.00 C ATOM 254 CG LEU A 235 -2.987 -13.159 10.874 1.00 0.00 C ATOM 255 CD1 LEU A 235 -2.298 -13.306 12.244 1.00 0.00 C ATOM 256 CD2 LEU A 235 -2.157 -13.870 9.777 1.00 0.00 C ATOM 0 H LEU A 235 -5.646 -11.730 9.673 1.00 0.00 H new ATOM 0 HA LEU A 235 -6.425 -13.497 11.775 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -4.485 -14.630 11.416 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -4.755 -13.888 9.851 1.00 0.00 H new ATOM 0 HG LEU A 235 -3.034 -12.094 10.647 1.00 0.00 H new ATOM 0 HD11 LEU A 235 -1.275 -12.934 12.179 1.00 0.00 H new ATOM 0 HD12 LEU A 235 -2.846 -12.731 12.990 1.00 0.00 H new ATOM 0 HD13 LEU A 235 -2.284 -14.357 12.534 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.134 -13.493 9.793 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -2.151 -14.944 9.964 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -2.601 -13.674 8.801 1.00 0.00 H new ATOM 268 N LYS A 236 -4.662 -10.833 12.563 1.00 0.00 N ATOM 269 CA LYS A 236 -4.212 -9.932 13.630 1.00 0.00 C ATOM 270 C LYS A 236 -5.408 -9.393 14.425 1.00 0.00 C ATOM 271 O LYS A 236 -5.345 -9.322 15.644 1.00 0.00 O ATOM 272 CB LYS A 236 -3.386 -8.787 13.007 1.00 0.00 C ATOM 273 CG LYS A 236 -2.018 -9.244 12.435 1.00 0.00 C ATOM 274 CD LYS A 236 -1.431 -8.243 11.418 1.00 0.00 C ATOM 275 CE LYS A 236 -1.251 -6.831 12.002 1.00 0.00 C ATOM 276 NZ LYS A 236 -0.763 -5.865 10.992 1.00 0.00 N ATOM 0 H LYS A 236 -4.526 -10.448 11.629 1.00 0.00 H new ATOM 0 HA LYS A 236 -3.582 -10.480 14.330 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -3.967 -8.324 12.209 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -3.216 -8.021 13.763 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -1.313 -9.377 13.255 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -2.136 -10.215 11.955 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -0.467 -8.612 11.068 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -2.086 -8.190 10.549 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -2.202 -6.483 12.405 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -0.547 -6.871 12.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -0.657 -4.928 11.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 0.157 -6.182 10.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -1.446 -5.806 10.210 1.00 0.00 H new ATOM 290 N GLU A 237 -6.489 -9.025 13.713 1.00 0.00 N ATOM 291 CA GLU A 237 -7.778 -8.628 14.328 1.00 0.00 C ATOM 292 C GLU A 237 -8.316 -9.762 15.235 1.00 0.00 C ATOM 293 O GLU A 237 -8.727 -9.527 16.379 1.00 0.00 O ATOM 294 CB GLU A 237 -8.794 -8.270 13.204 1.00 0.00 C ATOM 295 CG GLU A 237 -10.266 -8.071 13.641 1.00 0.00 C ATOM 296 CD GLU A 237 -10.464 -7.052 14.781 1.00 0.00 C ATOM 297 OE1 GLU A 237 -10.054 -5.881 14.626 1.00 0.00 O ATOM 298 OE2 GLU A 237 -11.036 -7.417 15.838 1.00 0.00 O ATOM 0 H GLU A 237 -6.498 -8.993 12.694 1.00 0.00 H new ATOM 0 HA GLU A 237 -7.629 -7.750 14.956 1.00 0.00 H new ATOM 0 HB2 GLU A 237 -8.456 -7.355 12.717 1.00 0.00 H new ATOM 0 HB3 GLU A 237 -8.765 -9.060 12.453 1.00 0.00 H new ATOM 0 HG2 GLU A 237 -10.847 -7.748 12.777 1.00 0.00 H new ATOM 0 HG3 GLU A 237 -10.671 -9.033 13.956 1.00 0.00 H new ATOM 305 N LEU A 238 -8.256 -10.995 14.710 1.00 0.00 N ATOM 306 CA LEU A 238 -8.693 -12.215 15.415 1.00 0.00 C ATOM 307 C LEU A 238 -7.735 -12.567 16.569 1.00 0.00 C ATOM 308 O LEU A 238 -8.149 -13.175 17.544 1.00 0.00 O ATOM 309 CB LEU A 238 -8.794 -13.399 14.412 1.00 0.00 C ATOM 310 CG LEU A 238 -9.892 -13.274 13.304 1.00 0.00 C ATOM 311 CD1 LEU A 238 -9.755 -14.389 12.239 1.00 0.00 C ATOM 312 CD2 LEU A 238 -11.310 -13.254 13.925 1.00 0.00 C ATOM 0 H LEU A 238 -7.899 -11.178 13.772 1.00 0.00 H new ATOM 0 HA LEU A 238 -9.676 -12.027 15.846 1.00 0.00 H new ATOM 0 HB2 LEU A 238 -7.827 -13.518 13.924 1.00 0.00 H new ATOM 0 HB3 LEU A 238 -8.980 -14.312 14.977 1.00 0.00 H new ATOM 0 HG LEU A 238 -9.740 -12.322 12.795 1.00 0.00 H new ATOM 0 HD11 LEU A 238 -10.534 -14.270 11.486 1.00 0.00 H new ATOM 0 HD12 LEU A 238 -8.777 -14.320 11.763 1.00 0.00 H new ATOM 0 HD13 LEU A 238 -9.858 -15.363 12.717 1.00 0.00 H new ATOM 0 HD21 LEU A 238 -12.053 -13.166 13.132 1.00 0.00 H new ATOM 0 HD22 LEU A 238 -11.478 -14.178 14.479 1.00 0.00 H new ATOM 0 HD23 LEU A 238 -11.399 -12.404 14.601 1.00 0.00 H new ATOM 324 N ARG A 239 -6.455 -12.178 16.443 1.00 0.00 N ATOM 325 CA ARG A 239 -5.422 -12.462 17.463 1.00 0.00 C ATOM 326 C ARG A 239 -5.554 -11.487 18.651 1.00 0.00 C ATOM 327 O ARG A 239 -5.324 -11.860 19.800 1.00 0.00 O ATOM 328 CB ARG A 239 -4.002 -12.360 16.846 1.00 0.00 C ATOM 329 CG ARG A 239 -2.860 -12.885 17.755 1.00 0.00 C ATOM 330 CD ARG A 239 -1.475 -12.404 17.292 1.00 0.00 C ATOM 331 NE ARG A 239 -1.375 -10.940 17.394 1.00 0.00 N ATOM 332 CZ ARG A 239 -0.469 -10.176 16.796 1.00 0.00 C ATOM 333 NH1 ARG A 239 0.414 -10.680 15.950 1.00 0.00 N ATOM 334 NH2 ARG A 239 -0.464 -8.887 17.042 1.00 0.00 N ATOM 0 H ARG A 239 -6.105 -11.660 15.637 1.00 0.00 H new ATOM 0 HA ARG A 239 -5.572 -13.479 17.825 1.00 0.00 H new ATOM 0 HB2 ARG A 239 -3.987 -12.917 15.909 1.00 0.00 H new ATOM 0 HB3 ARG A 239 -3.802 -11.317 16.600 1.00 0.00 H new ATOM 0 HG2 ARG A 239 -3.033 -12.554 18.779 1.00 0.00 H new ATOM 0 HG3 ARG A 239 -2.879 -13.975 17.765 1.00 0.00 H new ATOM 0 HD2 ARG A 239 -0.700 -12.870 17.900 1.00 0.00 H new ATOM 0 HD3 ARG A 239 -1.302 -12.715 16.262 1.00 0.00 H new ATOM 0 HE ARG A 239 -2.066 -10.468 17.978 1.00 0.00 H new ATOM 0 HH11 ARG A 239 0.410 -11.679 15.743 1.00 0.00 H new ATOM 0 HH12 ARG A 239 1.099 -10.070 15.504 1.00 0.00 H new ATOM 0 HH21 ARG A 239 -1.149 -8.488 17.684 1.00 0.00 H new ATOM 0 HH22 ARG A 239 0.225 -8.285 16.592 1.00 0.00 H new ATOM 348 N ILE A 240 -5.932 -10.231 18.354 1.00 0.00 N ATOM 349 CA ILE A 240 -6.140 -9.185 19.380 1.00 0.00 C ATOM 350 C ILE A 240 -7.455 -9.441 20.141 1.00 0.00 C ATOM 351 O ILE A 240 -7.543 -9.216 21.355 1.00 0.00 O ATOM 352 CB ILE A 240 -6.153 -7.741 18.735 1.00 0.00 C ATOM 353 CG1 ILE A 240 -4.780 -7.433 18.049 1.00 0.00 C ATOM 354 CG2 ILE A 240 -6.508 -6.646 19.779 1.00 0.00 C ATOM 355 CD1 ILE A 240 -4.720 -6.122 17.272 1.00 0.00 C ATOM 0 H ILE A 240 -6.102 -9.910 17.401 1.00 0.00 H new ATOM 0 HA ILE A 240 -5.307 -9.231 20.081 1.00 0.00 H new ATOM 0 HB ILE A 240 -6.933 -7.727 17.974 1.00 0.00 H new ATOM 0 HG12 ILE A 240 -4.005 -7.418 18.815 1.00 0.00 H new ATOM 0 HG13 ILE A 240 -4.541 -8.251 17.369 1.00 0.00 H new ATOM 0 HG21 ILE A 240 -6.506 -5.669 19.296 1.00 0.00 H new ATOM 0 HG22 ILE A 240 -7.497 -6.845 20.193 1.00 0.00 H new ATOM 0 HG23 ILE A 240 -5.770 -6.655 20.581 1.00 0.00 H new ATOM 0 HD11 ILE A 240 -3.728 -6.003 16.836 1.00 0.00 H new ATOM 0 HD12 ILE A 240 -5.466 -6.135 16.478 1.00 0.00 H new ATOM 0 HD13 ILE A 240 -4.922 -5.290 17.946 1.00 0.00 H new ATOM 367 N LYS A 241 -8.469 -9.923 19.405 1.00 0.00 N ATOM 368 CA LYS A 241 -9.800 -10.197 19.961 1.00 0.00 C ATOM 369 C LYS A 241 -9.788 -11.494 20.792 1.00 0.00 C ATOM 370 O LYS A 241 -10.101 -11.484 21.988 1.00 0.00 O ATOM 371 CB LYS A 241 -10.841 -10.292 18.815 1.00 0.00 C ATOM 372 CG LYS A 241 -12.313 -10.428 19.282 1.00 0.00 C ATOM 373 CD LYS A 241 -12.839 -9.197 20.079 1.00 0.00 C ATOM 374 CE LYS A 241 -13.136 -7.953 19.206 1.00 0.00 C ATOM 375 NZ LYS A 241 -11.932 -7.371 18.549 1.00 0.00 N ATOM 0 H LYS A 241 -8.388 -10.133 18.410 1.00 0.00 H new ATOM 0 HA LYS A 241 -10.078 -9.377 20.623 1.00 0.00 H new ATOM 0 HB2 LYS A 241 -10.754 -9.404 18.190 1.00 0.00 H new ATOM 0 HB3 LYS A 241 -10.593 -11.149 18.188 1.00 0.00 H new ATOM 0 HG2 LYS A 241 -12.948 -10.582 18.409 1.00 0.00 H new ATOM 0 HG3 LYS A 241 -12.406 -11.318 19.904 1.00 0.00 H new ATOM 0 HD2 LYS A 241 -13.749 -9.482 20.606 1.00 0.00 H new ATOM 0 HD3 LYS A 241 -12.103 -8.928 20.836 1.00 0.00 H new ATOM 0 HE2 LYS A 241 -13.860 -8.225 18.438 1.00 0.00 H new ATOM 0 HE3 LYS A 241 -13.603 -7.189 19.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 241 -12.004 -6.333 18.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 241 -11.079 -7.660 19.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 241 -11.872 -7.713 17.569 1.00 0.00 H new ATOM 389 N HIS A 242 -9.394 -12.598 20.140 1.00 0.00 N ATOM 390 CA HIS A 242 -9.452 -13.953 20.723 1.00 0.00 C ATOM 391 C HIS A 242 -8.226 -14.228 21.604 1.00 0.00 C ATOM 392 O HIS A 242 -8.361 -14.664 22.750 1.00 0.00 O ATOM 393 CB HIS A 242 -9.550 -15.033 19.603 1.00 0.00 C ATOM 394 CG HIS A 242 -10.806 -14.975 18.773 1.00 0.00 C ATOM 395 ND1 HIS A 242 -11.764 -15.961 18.800 1.00 0.00 N ATOM 396 CD2 HIS A 242 -11.248 -14.060 17.871 1.00 0.00 C ATOM 397 CE1 HIS A 242 -12.733 -15.660 17.967 1.00 0.00 C ATOM 398 NE2 HIS A 242 -12.448 -14.512 17.388 1.00 0.00 N ATOM 0 H HIS A 242 -9.024 -12.579 19.190 1.00 0.00 H new ATOM 0 HA HIS A 242 -10.346 -14.006 21.345 1.00 0.00 H new ATOM 0 HB2 HIS A 242 -8.690 -14.928 18.942 1.00 0.00 H new ATOM 0 HB3 HIS A 242 -9.481 -16.019 20.062 1.00 0.00 H new ATOM 0 HD2 HIS A 242 -10.747 -13.146 17.587 1.00 0.00 H new ATOM 0 HE1 HIS A 242 -13.616 -16.255 17.787 1.00 0.00 H new ATOM 0 HE2 HIS A 242 -13.026 -14.037 16.694 1.00 0.00 H new ATOM 407 N GLY A 243 -7.035 -13.949 21.060 1.00 0.00 N ATOM 408 CA GLY A 243 -5.765 -14.268 21.718 1.00 0.00 C ATOM 409 C GLY A 243 -4.958 -15.256 20.888 1.00 0.00 C ATOM 410 O GLY A 243 -4.774 -15.050 19.683 1.00 0.00 O ATOM 0 H GLY A 243 -6.926 -13.496 20.152 1.00 0.00 H new ATOM 0 HA2 GLY A 243 -5.188 -13.355 21.867 1.00 0.00 H new ATOM 0 HA3 GLY A 243 -5.957 -14.688 22.705 1.00 0.00 H new ATOM 414 N ASN A 244 -4.517 -16.358 21.521 1.00 0.00 N ATOM 415 CA ASN A 244 -3.705 -17.415 20.871 1.00 0.00 C ATOM 416 C ASN A 244 -4.607 -18.546 20.321 1.00 0.00 C ATOM 417 O ASN A 244 -4.171 -19.702 20.198 1.00 0.00 O ATOM 418 CB ASN A 244 -2.677 -17.980 21.890 1.00 0.00 C ATOM 419 CG ASN A 244 -1.730 -16.921 22.473 1.00 0.00 C ATOM 420 OD1 ASN A 244 -1.405 -15.920 21.827 1.00 0.00 O ATOM 421 ND2 ASN A 244 -1.255 -17.149 23.688 1.00 0.00 N ATOM 0 H ASN A 244 -4.713 -16.546 22.504 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.170 -16.979 20.027 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -3.216 -18.460 22.707 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -2.084 -18.754 21.402 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -0.603 -16.489 24.113 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -1.541 -17.984 24.199 1.00 0.00 H new ATOM 428 N ASP A 245 -5.857 -18.189 19.956 1.00 0.00 N ATOM 429 CA ASP A 245 -6.852 -19.124 19.388 1.00 0.00 C ATOM 430 C ASP A 245 -6.619 -19.306 17.875 1.00 0.00 C ATOM 431 O ASP A 245 -7.527 -19.080 17.064 1.00 0.00 O ATOM 432 CB ASP A 245 -8.298 -18.606 19.658 1.00 0.00 C ATOM 433 CG ASP A 245 -8.663 -18.557 21.148 1.00 0.00 C ATOM 434 OD1 ASP A 245 -8.287 -17.582 21.836 1.00 0.00 O ATOM 435 OD2 ASP A 245 -9.332 -19.488 21.643 1.00 0.00 O ATOM 0 H ASP A 245 -6.207 -17.235 20.048 1.00 0.00 H new ATOM 0 HA ASP A 245 -6.734 -20.093 19.874 1.00 0.00 H new ATOM 0 HB2 ASP A 245 -8.403 -17.608 19.233 1.00 0.00 H new ATOM 0 HB3 ASP A 245 -9.009 -19.249 19.139 1.00 0.00 H new ATOM 440 N TRP A 246 -5.405 -19.761 17.515 1.00 0.00 N ATOM 441 CA TRP A 246 -4.951 -19.871 16.116 1.00 0.00 C ATOM 442 C TRP A 246 -5.775 -20.875 15.302 1.00 0.00 C ATOM 443 O TRP A 246 -5.864 -20.736 14.081 1.00 0.00 O ATOM 444 CB TRP A 246 -3.448 -20.234 16.073 1.00 0.00 C ATOM 445 CG TRP A 246 -2.567 -19.126 16.602 1.00 0.00 C ATOM 446 CD1 TRP A 246 -1.947 -19.051 17.820 1.00 0.00 C ATOM 447 CD2 TRP A 246 -2.238 -17.916 15.915 1.00 0.00 C ATOM 448 NE1 TRP A 246 -1.236 -17.883 17.915 1.00 0.00 N ATOM 449 CE2 TRP A 246 -1.406 -17.166 16.762 1.00 0.00 C ATOM 450 CE3 TRP A 246 -2.567 -17.396 14.659 1.00 0.00 C ATOM 451 CZ2 TRP A 246 -0.889 -15.932 16.392 1.00 0.00 C ATOM 452 CZ3 TRP A 246 -2.061 -16.170 14.295 1.00 0.00 C ATOM 453 CH2 TRP A 246 -1.230 -15.446 15.158 1.00 0.00 C ATOM 0 H TRP A 246 -4.706 -20.065 18.192 1.00 0.00 H new ATOM 0 HA TRP A 246 -5.102 -18.897 15.650 1.00 0.00 H new ATOM 0 HB2 TRP A 246 -3.279 -21.138 16.658 1.00 0.00 H new ATOM 0 HB3 TRP A 246 -3.162 -20.461 15.046 1.00 0.00 H new ATOM 0 HD1 TRP A 246 -2.009 -19.802 18.593 1.00 0.00 H new ATOM 0 HE1 TRP A 246 -0.672 -17.595 18.715 1.00 0.00 H new ATOM 0 HE3 TRP A 246 -3.207 -17.948 13.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 246 -0.241 -15.375 17.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 246 -2.309 -15.759 13.327 1.00 0.00 H new ATOM 0 HH2 TRP A 246 -0.850 -14.485 14.844 1.00 0.00 H new ATOM 464 N ALA A 247 -6.372 -21.868 15.989 1.00 0.00 N ATOM 465 CA ALA A 247 -7.292 -22.837 15.359 1.00 0.00 C ATOM 466 C ALA A 247 -8.511 -22.104 14.766 1.00 0.00 C ATOM 467 O ALA A 247 -8.879 -22.323 13.611 1.00 0.00 O ATOM 468 CB ALA A 247 -7.735 -23.894 16.382 1.00 0.00 C ATOM 0 H ALA A 247 -6.232 -22.021 16.988 1.00 0.00 H new ATOM 0 HA ALA A 247 -6.769 -23.345 14.549 1.00 0.00 H new ATOM 0 HB1 ALA A 247 -8.413 -24.601 15.904 1.00 0.00 H new ATOM 0 HB2 ALA A 247 -6.861 -24.426 16.757 1.00 0.00 H new ATOM 0 HB3 ALA A 247 -8.246 -23.406 17.212 1.00 0.00 H new ATOM 474 N THR A 248 -9.082 -21.193 15.575 1.00 0.00 N ATOM 475 CA THR A 248 -10.264 -20.386 15.203 1.00 0.00 C ATOM 476 C THR A 248 -9.900 -19.333 14.138 1.00 0.00 C ATOM 477 O THR A 248 -10.680 -19.071 13.218 1.00 0.00 O ATOM 478 CB THR A 248 -10.855 -19.670 16.463 1.00 0.00 C ATOM 479 OG1 THR A 248 -11.092 -20.645 17.489 1.00 0.00 O ATOM 480 CG2 THR A 248 -12.172 -18.918 16.158 1.00 0.00 C ATOM 0 H THR A 248 -8.735 -20.993 16.513 1.00 0.00 H new ATOM 0 HA THR A 248 -11.011 -21.062 14.788 1.00 0.00 H new ATOM 0 HB THR A 248 -10.127 -18.928 16.791 1.00 0.00 H new ATOM 0 HG1 THR A 248 -11.461 -20.203 18.282 1.00 0.00 H new ATOM 0 HG21 THR A 248 -12.537 -18.440 17.067 1.00 0.00 H new ATOM 0 HG22 THR A 248 -11.990 -18.159 15.397 1.00 0.00 H new ATOM 0 HG23 THR A 248 -12.918 -19.624 15.794 1.00 0.00 H new ATOM 488 N ILE A 249 -8.696 -18.747 14.287 1.00 0.00 N ATOM 489 CA ILE A 249 -8.166 -17.720 13.369 1.00 0.00 C ATOM 490 C ILE A 249 -8.019 -18.302 11.943 1.00 0.00 C ATOM 491 O ILE A 249 -8.646 -17.812 10.994 1.00 0.00 O ATOM 492 CB ILE A 249 -6.785 -17.160 13.900 1.00 0.00 C ATOM 493 CG1 ILE A 249 -6.975 -16.472 15.298 1.00 0.00 C ATOM 494 CG2 ILE A 249 -6.128 -16.196 12.888 1.00 0.00 C ATOM 495 CD1 ILE A 249 -5.699 -15.980 15.968 1.00 0.00 C ATOM 0 H ILE A 249 -8.060 -18.974 15.052 1.00 0.00 H new ATOM 0 HA ILE A 249 -8.870 -16.889 13.327 1.00 0.00 H new ATOM 0 HB ILE A 249 -6.107 -18.005 14.020 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -7.651 -15.625 15.177 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -7.466 -17.179 15.967 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -5.182 -15.834 13.291 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -5.946 -16.722 11.951 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -6.792 -15.351 12.707 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -5.944 -15.522 16.926 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -5.025 -16.821 16.130 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -5.213 -15.244 15.328 1.00 0.00 H new ATOM 507 N GLY A 250 -7.242 -19.399 11.841 1.00 0.00 N ATOM 508 CA GLY A 250 -7.010 -20.096 10.575 1.00 0.00 C ATOM 509 C GLY A 250 -8.292 -20.637 9.949 1.00 0.00 C ATOM 510 O GLY A 250 -8.472 -20.558 8.735 1.00 0.00 O ATOM 0 H GLY A 250 -6.762 -19.820 12.636 1.00 0.00 H new ATOM 0 HA2 GLY A 250 -6.530 -19.414 9.874 1.00 0.00 H new ATOM 0 HA3 GLY A 250 -6.318 -20.921 10.742 1.00 0.00 H new ATOM 514 N ALA A 251 -9.201 -21.154 10.805 1.00 0.00 N ATOM 515 CA ALA A 251 -10.511 -21.688 10.369 1.00 0.00 C ATOM 516 C ALA A 251 -11.404 -20.590 9.755 1.00 0.00 C ATOM 517 O ALA A 251 -12.092 -20.827 8.754 1.00 0.00 O ATOM 518 CB ALA A 251 -11.237 -22.352 11.544 1.00 0.00 C ATOM 0 H ALA A 251 -9.049 -21.213 11.812 1.00 0.00 H new ATOM 0 HA ALA A 251 -10.316 -22.432 9.597 1.00 0.00 H new ATOM 0 HB1 ALA A 251 -12.198 -22.739 11.206 1.00 0.00 H new ATOM 0 HB2 ALA A 251 -10.631 -23.172 11.930 1.00 0.00 H new ATOM 0 HB3 ALA A 251 -11.399 -21.618 12.333 1.00 0.00 H new ATOM 524 N ALA A 252 -11.364 -19.386 10.358 1.00 0.00 N ATOM 525 CA ALA A 252 -12.161 -18.223 9.904 1.00 0.00 C ATOM 526 C ALA A 252 -11.637 -17.679 8.561 1.00 0.00 C ATOM 527 O ALA A 252 -12.408 -17.163 7.741 1.00 0.00 O ATOM 528 CB ALA A 252 -12.152 -17.116 10.974 1.00 0.00 C ATOM 0 H ALA A 252 -10.781 -19.190 11.172 1.00 0.00 H new ATOM 0 HA ALA A 252 -13.188 -18.556 9.753 1.00 0.00 H new ATOM 0 HB1 ALA A 252 -12.742 -16.268 10.625 1.00 0.00 H new ATOM 0 HB2 ALA A 252 -12.581 -17.501 11.899 1.00 0.00 H new ATOM 0 HB3 ALA A 252 -11.127 -16.794 11.156 1.00 0.00 H new ATOM 534 N LEU A 253 -10.313 -17.789 8.366 1.00 0.00 N ATOM 535 CA LEU A 253 -9.626 -17.406 7.112 1.00 0.00 C ATOM 536 C LEU A 253 -9.758 -18.497 6.024 1.00 0.00 C ATOM 537 O LEU A 253 -9.592 -18.213 4.832 1.00 0.00 O ATOM 538 CB LEU A 253 -8.129 -17.154 7.418 1.00 0.00 C ATOM 539 CG LEU A 253 -7.834 -16.021 8.450 1.00 0.00 C ATOM 540 CD1 LEU A 253 -6.349 -16.015 8.860 1.00 0.00 C ATOM 541 CD2 LEU A 253 -8.285 -14.644 7.912 1.00 0.00 C ATOM 0 H LEU A 253 -9.679 -18.150 9.079 1.00 0.00 H new ATOM 0 HA LEU A 253 -10.097 -16.501 6.727 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -7.691 -18.081 7.788 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -7.621 -16.912 6.484 1.00 0.00 H new ATOM 0 HG LEU A 253 -8.418 -16.225 9.348 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -6.173 -15.215 9.580 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -6.093 -16.973 9.312 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -5.729 -15.853 7.978 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -8.067 -13.875 8.653 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -7.750 -14.421 6.989 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -9.357 -14.664 7.715 1.00 0.00 H new ATOM 553 N GLY A 254 -10.028 -19.748 6.458 1.00 0.00 N ATOM 554 CA GLY A 254 -10.061 -20.910 5.556 1.00 0.00 C ATOM 555 C GLY A 254 -8.660 -21.416 5.206 1.00 0.00 C ATOM 556 O GLY A 254 -8.481 -22.152 4.232 1.00 0.00 O ATOM 0 H GLY A 254 -10.226 -19.974 7.433 1.00 0.00 H new ATOM 0 HA2 GLY A 254 -10.628 -21.714 6.024 1.00 0.00 H new ATOM 0 HA3 GLY A 254 -10.587 -20.641 4.640 1.00 0.00 H new ATOM 560 N ARG A 255 -7.667 -21.003 6.015 1.00 0.00 N ATOM 561 CA ARG A 255 -6.243 -21.354 5.840 1.00 0.00 C ATOM 562 C ARG A 255 -5.814 -22.317 6.969 1.00 0.00 C ATOM 563 O ARG A 255 -6.644 -22.724 7.799 1.00 0.00 O ATOM 564 CB ARG A 255 -5.367 -20.054 5.862 1.00 0.00 C ATOM 565 CG ARG A 255 -5.899 -18.893 4.984 1.00 0.00 C ATOM 566 CD ARG A 255 -6.002 -19.241 3.485 1.00 0.00 C ATOM 567 NE ARG A 255 -4.681 -19.406 2.847 1.00 0.00 N ATOM 568 CZ ARG A 255 -4.171 -18.597 1.905 1.00 0.00 C ATOM 569 NH1 ARG A 255 -4.784 -17.474 1.554 1.00 0.00 N ATOM 570 NH2 ARG A 255 -3.019 -18.894 1.348 1.00 0.00 N ATOM 0 H ARG A 255 -7.834 -20.405 6.824 1.00 0.00 H new ATOM 0 HA ARG A 255 -6.101 -21.848 4.879 1.00 0.00 H new ATOM 0 HB2 ARG A 255 -5.287 -19.705 6.891 1.00 0.00 H new ATOM 0 HB3 ARG A 255 -4.359 -20.307 5.532 1.00 0.00 H new ATOM 0 HG2 ARG A 255 -6.883 -18.597 5.347 1.00 0.00 H new ATOM 0 HG3 ARG A 255 -5.243 -18.030 5.103 1.00 0.00 H new ATOM 0 HD2 ARG A 255 -6.575 -20.161 3.368 1.00 0.00 H new ATOM 0 HD3 ARG A 255 -6.554 -18.454 2.971 1.00 0.00 H new ATOM 0 HE ARG A 255 -4.111 -20.197 3.146 1.00 0.00 H new ATOM 0 HH11 ARG A 255 -5.661 -17.210 2.003 1.00 0.00 H new ATOM 0 HH12 ARG A 255 -4.378 -16.874 0.836 1.00 0.00 H new ATOM 0 HH21 ARG A 255 -2.517 -19.735 1.632 1.00 0.00 H new ATOM 0 HH22 ARG A 255 -2.626 -18.283 0.632 1.00 0.00 H new ATOM 584 N SER A 256 -4.523 -22.681 6.985 1.00 0.00 N ATOM 585 CA SER A 256 -3.929 -23.490 8.061 1.00 0.00 C ATOM 586 C SER A 256 -3.620 -22.592 9.266 1.00 0.00 C ATOM 587 O SER A 256 -3.073 -21.491 9.103 1.00 0.00 O ATOM 588 CB SER A 256 -2.631 -24.194 7.581 1.00 0.00 C ATOM 589 OG SER A 256 -2.007 -24.925 8.629 1.00 0.00 O ATOM 0 H SER A 256 -3.861 -22.423 6.253 1.00 0.00 H new ATOM 0 HA SER A 256 -4.645 -24.260 8.349 1.00 0.00 H new ATOM 0 HB2 SER A 256 -2.867 -24.869 6.758 1.00 0.00 H new ATOM 0 HB3 SER A 256 -1.936 -23.449 7.194 1.00 0.00 H new ATOM 0 HG SER A 256 -1.195 -25.355 8.289 1.00 0.00 H new ATOM 595 N ALA A 257 -3.979 -23.086 10.460 1.00 0.00 N ATOM 596 CA ALA A 257 -3.666 -22.446 11.748 1.00 0.00 C ATOM 597 C ALA A 257 -2.139 -22.325 11.952 1.00 0.00 C ATOM 598 O ALA A 257 -1.643 -21.306 12.458 1.00 0.00 O ATOM 599 CB ALA A 257 -4.302 -23.262 12.881 1.00 0.00 C ATOM 0 H ALA A 257 -4.503 -23.955 10.560 1.00 0.00 H new ATOM 0 HA ALA A 257 -4.076 -21.436 11.753 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -4.074 -22.794 13.839 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -5.383 -23.297 12.742 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -3.902 -24.276 12.868 1.00 0.00 H new ATOM 605 N SER A 258 -1.414 -23.367 11.493 1.00 0.00 N ATOM 606 CA SER A 258 0.050 -23.467 11.616 1.00 0.00 C ATOM 607 C SER A 258 0.737 -22.408 10.746 1.00 0.00 C ATOM 608 O SER A 258 1.697 -21.761 11.177 1.00 0.00 O ATOM 609 CB SER A 258 0.509 -24.879 11.188 1.00 0.00 C ATOM 610 OG SER A 258 -0.136 -25.878 11.957 1.00 0.00 O ATOM 0 H SER A 258 -1.835 -24.168 11.023 1.00 0.00 H new ATOM 0 HA SER A 258 0.329 -23.293 12.655 1.00 0.00 H new ATOM 0 HB2 SER A 258 0.291 -25.031 10.131 1.00 0.00 H new ATOM 0 HB3 SER A 258 1.589 -24.965 11.306 1.00 0.00 H new ATOM 0 HG SER A 258 0.170 -26.763 11.666 1.00 0.00 H new ATOM 616 N SER A 259 0.202 -22.243 9.522 1.00 0.00 N ATOM 617 CA SER A 259 0.754 -21.334 8.515 1.00 0.00 C ATOM 618 C SER A 259 0.563 -19.858 8.919 1.00 0.00 C ATOM 619 O SER A 259 1.508 -19.081 8.843 1.00 0.00 O ATOM 620 CB SER A 259 0.090 -21.608 7.155 1.00 0.00 C ATOM 621 OG SER A 259 0.273 -22.958 6.748 1.00 0.00 O ATOM 0 H SER A 259 -0.630 -22.742 9.208 1.00 0.00 H new ATOM 0 HA SER A 259 1.826 -21.516 8.440 1.00 0.00 H new ATOM 0 HB2 SER A 259 -0.976 -21.387 7.218 1.00 0.00 H new ATOM 0 HB3 SER A 259 0.510 -20.940 6.403 1.00 0.00 H new ATOM 0 HG SER A 259 -0.162 -23.100 5.881 1.00 0.00 H new ATOM 627 N VAL A 260 -0.663 -19.489 9.364 1.00 0.00 N ATOM 628 CA VAL A 260 -0.992 -18.090 9.735 1.00 0.00 C ATOM 629 C VAL A 260 -0.275 -17.667 11.037 1.00 0.00 C ATOM 630 O VAL A 260 0.101 -16.497 11.193 1.00 0.00 O ATOM 631 CB VAL A 260 -2.551 -17.845 9.850 1.00 0.00 C ATOM 632 CG1 VAL A 260 -3.258 -18.152 8.502 1.00 0.00 C ATOM 633 CG2 VAL A 260 -3.193 -18.649 11.019 1.00 0.00 C ATOM 0 H VAL A 260 -1.440 -20.140 9.475 1.00 0.00 H new ATOM 0 HA VAL A 260 -0.626 -17.462 8.923 1.00 0.00 H new ATOM 0 HB VAL A 260 -2.694 -16.789 10.081 1.00 0.00 H new ATOM 0 HG11 VAL A 260 -4.329 -17.977 8.605 1.00 0.00 H new ATOM 0 HG12 VAL A 260 -2.857 -17.502 7.724 1.00 0.00 H new ATOM 0 HG13 VAL A 260 -3.085 -19.193 8.229 1.00 0.00 H new ATOM 0 HG21 VAL A 260 -4.263 -18.446 11.055 1.00 0.00 H new ATOM 0 HG22 VAL A 260 -3.031 -19.715 10.860 1.00 0.00 H new ATOM 0 HG23 VAL A 260 -2.735 -18.349 11.962 1.00 0.00 H new ATOM 643 N LYS A 261 -0.071 -18.647 11.951 1.00 0.00 N ATOM 644 CA LYS A 261 0.674 -18.434 13.209 1.00 0.00 C ATOM 645 C LYS A 261 2.149 -18.132 12.907 1.00 0.00 C ATOM 646 O LYS A 261 2.695 -17.109 13.347 1.00 0.00 O ATOM 647 CB LYS A 261 0.559 -19.680 14.128 1.00 0.00 C ATOM 648 CG LYS A 261 1.263 -19.533 15.500 1.00 0.00 C ATOM 649 CD LYS A 261 1.056 -20.761 16.413 1.00 0.00 C ATOM 650 CE LYS A 261 1.708 -20.596 17.798 1.00 0.00 C ATOM 651 NZ LYS A 261 1.483 -21.790 18.645 1.00 0.00 N ATOM 0 H LYS A 261 -0.417 -19.600 11.835 1.00 0.00 H new ATOM 0 HA LYS A 261 0.239 -17.580 13.728 1.00 0.00 H new ATOM 0 HB2 LYS A 261 -0.496 -19.895 14.296 1.00 0.00 H new ATOM 0 HB3 LYS A 261 0.981 -20.540 13.608 1.00 0.00 H new ATOM 0 HG2 LYS A 261 2.330 -19.380 15.341 1.00 0.00 H new ATOM 0 HG3 LYS A 261 0.885 -18.643 16.004 1.00 0.00 H new ATOM 0 HD2 LYS A 261 -0.012 -20.938 16.539 1.00 0.00 H new ATOM 0 HD3 LYS A 261 1.470 -21.644 15.925 1.00 0.00 H new ATOM 0 HE2 LYS A 261 2.778 -20.427 17.680 1.00 0.00 H new ATOM 0 HE3 LYS A 261 1.299 -19.715 18.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 1.934 -21.649 19.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 0.462 -21.935 18.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 1.895 -22.626 18.183 1.00 0.00 H new ATOM 665 N ASP A 262 2.763 -19.033 12.117 1.00 0.00 N ATOM 666 CA ASP A 262 4.184 -18.950 11.732 1.00 0.00 C ATOM 667 C ASP A 262 4.463 -17.697 10.878 1.00 0.00 C ATOM 668 O ASP A 262 5.504 -17.066 11.029 1.00 0.00 O ATOM 669 CB ASP A 262 4.594 -20.237 10.966 1.00 0.00 C ATOM 670 CG ASP A 262 6.079 -20.261 10.554 1.00 0.00 C ATOM 671 OD1 ASP A 262 6.940 -20.493 11.430 1.00 0.00 O ATOM 672 OD2 ASP A 262 6.395 -20.058 9.361 1.00 0.00 O ATOM 0 H ASP A 262 2.284 -19.844 11.726 1.00 0.00 H new ATOM 0 HA ASP A 262 4.783 -18.866 12.639 1.00 0.00 H new ATOM 0 HB2 ASP A 262 4.385 -21.105 11.592 1.00 0.00 H new ATOM 0 HB3 ASP A 262 3.976 -20.331 10.073 1.00 0.00 H new ATOM 677 N ARG A 263 3.500 -17.339 10.009 1.00 0.00 N ATOM 678 CA ARG A 263 3.613 -16.173 9.096 1.00 0.00 C ATOM 679 C ARG A 263 3.637 -14.873 9.927 1.00 0.00 C ATOM 680 O ARG A 263 4.529 -14.039 9.769 1.00 0.00 O ATOM 681 CB ARG A 263 2.430 -16.145 8.061 1.00 0.00 C ATOM 682 CG ARG A 263 2.766 -15.646 6.620 1.00 0.00 C ATOM 683 CD ARG A 263 3.338 -14.210 6.529 1.00 0.00 C ATOM 684 NE ARG A 263 4.782 -14.134 6.847 1.00 0.00 N ATOM 685 CZ ARG A 263 5.513 -13.004 6.881 1.00 0.00 C ATOM 686 NH1 ARG A 263 4.956 -11.830 6.651 1.00 0.00 N ATOM 687 NH2 ARG A 263 6.797 -13.062 7.173 1.00 0.00 N ATOM 0 H ARG A 263 2.620 -17.846 9.915 1.00 0.00 H new ATOM 0 HA ARG A 263 4.541 -16.259 8.531 1.00 0.00 H new ATOM 0 HB2 ARG A 263 2.022 -17.153 7.985 1.00 0.00 H new ATOM 0 HB3 ARG A 263 1.641 -15.511 8.465 1.00 0.00 H new ATOM 0 HG2 ARG A 263 3.485 -16.334 6.174 1.00 0.00 H new ATOM 0 HG3 ARG A 263 1.860 -15.697 6.016 1.00 0.00 H new ATOM 0 HD2 ARG A 263 3.174 -13.824 5.523 1.00 0.00 H new ATOM 0 HD3 ARG A 263 2.788 -13.563 7.212 1.00 0.00 H new ATOM 0 HE ARG A 263 5.262 -15.009 7.057 1.00 0.00 H new ATOM 0 HH11 ARG A 263 3.959 -11.770 6.444 1.00 0.00 H new ATOM 0 HH12 ARG A 263 5.522 -10.982 6.680 1.00 0.00 H new ATOM 0 HH21 ARG A 263 7.235 -13.962 7.373 1.00 0.00 H new ATOM 0 HH22 ARG A 263 7.353 -12.207 7.199 1.00 0.00 H new ATOM 701 N CYS A 264 2.649 -14.748 10.836 1.00 0.00 N ATOM 702 CA CYS A 264 2.490 -13.572 11.716 1.00 0.00 C ATOM 703 C CYS A 264 3.700 -13.398 12.655 1.00 0.00 C ATOM 704 O CYS A 264 4.091 -12.271 12.987 1.00 0.00 O ATOM 705 CB CYS A 264 1.211 -13.712 12.557 1.00 0.00 C ATOM 706 SG CYS A 264 0.860 -12.297 13.618 1.00 0.00 S ATOM 0 H CYS A 264 1.936 -15.463 10.981 1.00 0.00 H new ATOM 0 HA CYS A 264 2.421 -12.691 11.078 1.00 0.00 H new ATOM 0 HB2 CYS A 264 0.365 -13.867 11.887 1.00 0.00 H new ATOM 0 HB3 CYS A 264 1.294 -14.604 13.177 1.00 0.00 H new ATOM 0 HG CYS A 264 1.954 -11.624 13.819 1.00 0.00 H new ATOM 712 N ARG A 265 4.271 -14.537 13.074 1.00 0.00 N ATOM 713 CA ARG A 265 5.449 -14.577 13.954 1.00 0.00 C ATOM 714 C ARG A 265 6.715 -14.148 13.175 1.00 0.00 C ATOM 715 O ARG A 265 7.543 -13.412 13.696 1.00 0.00 O ATOM 716 CB ARG A 265 5.583 -16.004 14.574 1.00 0.00 C ATOM 717 CG ARG A 265 6.672 -16.174 15.675 1.00 0.00 C ATOM 718 CD ARG A 265 8.069 -16.500 15.116 1.00 0.00 C ATOM 719 NE ARG A 265 9.067 -16.609 16.191 1.00 0.00 N ATOM 720 CZ ARG A 265 10.076 -17.481 16.234 1.00 0.00 C ATOM 721 NH1 ARG A 265 10.178 -18.448 15.319 1.00 0.00 N ATOM 722 NH2 ARG A 265 10.956 -17.406 17.220 1.00 0.00 N ATOM 0 H ARG A 265 3.927 -15.461 12.811 1.00 0.00 H new ATOM 0 HA ARG A 265 5.329 -13.868 14.774 1.00 0.00 H new ATOM 0 HB2 ARG A 265 4.619 -16.285 14.998 1.00 0.00 H new ATOM 0 HB3 ARG A 265 5.795 -16.709 13.770 1.00 0.00 H new ATOM 0 HG2 ARG A 265 6.730 -15.257 16.262 1.00 0.00 H new ATOM 0 HG3 ARG A 265 6.368 -16.969 16.355 1.00 0.00 H new ATOM 0 HD2 ARG A 265 8.030 -17.436 14.558 1.00 0.00 H new ATOM 0 HD3 ARG A 265 8.372 -15.723 14.414 1.00 0.00 H new ATOM 0 HE ARG A 265 8.980 -15.960 16.973 1.00 0.00 H new ATOM 0 HH11 ARG A 265 9.481 -18.525 14.578 1.00 0.00 H new ATOM 0 HH12 ARG A 265 10.953 -19.110 15.361 1.00 0.00 H new ATOM 0 HH21 ARG A 265 10.859 -16.687 17.937 1.00 0.00 H new ATOM 0 HH22 ARG A 265 11.731 -18.067 17.263 1.00 0.00 H new