USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 314 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 227 TYR OH : rot 30:sc= -0.527 USER MOD Set 1.2: A 259 SER OG : rot 180:sc= -0.987 USER MOD Single : A 228 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 234 LYS NZ :NH3+ 171:sc= -0.0402 (180deg=-0.189) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 241 LYS NZ :NH3+ 168:sc= -0.0134 (180deg=-0.188) USER MOD Single : A 242 HIS : no HE2:sc= 0.025 K(o=0.025,f=-2) USER MOD Single : A 244 ASN : amide:sc= -0.06 K(o=-0.06,f=-3.1!) USER MOD Single : A 248 THR OG1 : rot 75:sc= 0.0982 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 261 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 264 CYS SG : rot -20:sc= -1.03 USER MOD ----------------------------------------------------------------- ATOM 114 N TYR A 227 -1.139 -15.402 -0.123 1.00 0.00 N ATOM 115 CA TYR A 227 -2.181 -14.709 0.664 1.00 0.00 C ATOM 116 C TYR A 227 -2.306 -13.237 0.201 1.00 0.00 C ATOM 117 O TYR A 227 -1.409 -12.706 -0.470 1.00 0.00 O ATOM 118 CB TYR A 227 -1.835 -14.764 2.189 1.00 0.00 C ATOM 119 CG TYR A 227 -1.994 -16.140 2.892 1.00 0.00 C ATOM 120 CD1 TYR A 227 -1.605 -17.335 2.279 1.00 0.00 C ATOM 121 CD2 TYR A 227 -2.542 -16.233 4.179 1.00 0.00 C ATOM 122 CE1 TYR A 227 -1.753 -18.554 2.910 1.00 0.00 C ATOM 123 CE2 TYR A 227 -2.687 -17.454 4.812 1.00 0.00 C ATOM 124 CZ TYR A 227 -2.295 -18.611 4.169 1.00 0.00 C ATOM 125 OH TYR A 227 -2.450 -19.833 4.790 1.00 0.00 O ATOM 0 HA TYR A 227 -3.134 -15.213 0.503 1.00 0.00 H new ATOM 0 HB2 TYR A 227 -0.804 -14.434 2.316 1.00 0.00 H new ATOM 0 HB3 TYR A 227 -2.466 -14.042 2.707 1.00 0.00 H new ATOM 0 HD1 TYR A 227 -1.178 -17.304 1.287 1.00 0.00 H new ATOM 0 HD2 TYR A 227 -2.857 -15.333 4.686 1.00 0.00 H new ATOM 0 HE1 TYR A 227 -1.443 -19.461 2.413 1.00 0.00 H new ATOM 0 HE2 TYR A 227 -3.106 -17.502 5.806 1.00 0.00 H new ATOM 0 HH TYR A 227 -1.753 -20.448 4.480 1.00 0.00 H new ATOM 135 N THR A 228 -3.433 -12.602 0.565 1.00 0.00 N ATOM 136 CA THR A 228 -3.682 -11.159 0.348 1.00 0.00 C ATOM 137 C THR A 228 -3.294 -10.375 1.630 1.00 0.00 C ATOM 138 O THR A 228 -3.308 -10.961 2.713 1.00 0.00 O ATOM 139 CB THR A 228 -5.196 -10.921 0.003 1.00 0.00 C ATOM 140 OG1 THR A 228 -6.029 -11.436 1.057 1.00 0.00 O ATOM 141 CG2 THR A 228 -5.586 -11.574 -1.337 1.00 0.00 C ATOM 0 H THR A 228 -4.209 -13.079 1.024 1.00 0.00 H new ATOM 0 HA THR A 228 -3.077 -10.806 -0.487 1.00 0.00 H new ATOM 0 HB THR A 228 -5.348 -9.846 -0.092 1.00 0.00 H new ATOM 0 HG1 THR A 228 -6.971 -11.282 0.834 1.00 0.00 H new ATOM 0 HG21 THR A 228 -6.641 -11.387 -1.540 1.00 0.00 H new ATOM 0 HG22 THR A 228 -4.981 -11.149 -2.138 1.00 0.00 H new ATOM 0 HG23 THR A 228 -5.412 -12.649 -1.282 1.00 0.00 H new ATOM 149 N PRO A 229 -2.986 -9.029 1.549 1.00 0.00 N ATOM 150 CA PRO A 229 -2.568 -8.235 2.742 1.00 0.00 C ATOM 151 C PRO A 229 -3.711 -8.129 3.772 1.00 0.00 C ATOM 152 O PRO A 229 -3.467 -8.039 4.977 1.00 0.00 O ATOM 153 CB PRO A 229 -2.199 -6.851 2.139 1.00 0.00 C ATOM 154 CG PRO A 229 -3.020 -6.762 0.888 1.00 0.00 C ATOM 155 CD PRO A 229 -3.062 -8.169 0.331 1.00 0.00 C ATOM 0 HA PRO A 229 -1.741 -8.686 3.290 1.00 0.00 H new ATOM 0 HB2 PRO A 229 -2.435 -6.041 2.829 1.00 0.00 H new ATOM 0 HB3 PRO A 229 -1.133 -6.783 1.921 1.00 0.00 H new ATOM 0 HG2 PRO A 229 -4.024 -6.395 1.103 1.00 0.00 H new ATOM 0 HG3 PRO A 229 -2.573 -6.070 0.174 1.00 0.00 H new ATOM 0 HD2 PRO A 229 -3.978 -8.351 -0.232 1.00 0.00 H new ATOM 0 HD3 PRO A 229 -2.229 -8.358 -0.346 1.00 0.00 H new ATOM 163 N GLU A 230 -4.952 -8.178 3.251 1.00 0.00 N ATOM 164 CA GLU A 230 -6.183 -8.123 4.039 1.00 0.00 C ATOM 165 C GLU A 230 -6.362 -9.397 4.877 1.00 0.00 C ATOM 166 O GLU A 230 -6.891 -9.326 5.986 1.00 0.00 O ATOM 167 CB GLU A 230 -7.386 -7.937 3.085 1.00 0.00 C ATOM 168 CG GLU A 230 -7.336 -6.625 2.266 1.00 0.00 C ATOM 169 CD GLU A 230 -8.474 -6.508 1.250 1.00 0.00 C ATOM 170 OE1 GLU A 230 -9.642 -6.334 1.667 1.00 0.00 O ATOM 171 OE2 GLU A 230 -8.223 -6.619 0.033 1.00 0.00 O ATOM 0 H GLU A 230 -5.123 -8.259 2.249 1.00 0.00 H new ATOM 0 HA GLU A 230 -6.123 -7.280 4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 230 -7.427 -8.782 2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 230 -8.307 -7.956 3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 230 -7.377 -5.776 2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 230 -6.382 -6.567 1.742 1.00 0.00 H new ATOM 178 N GLU A 231 -5.923 -10.550 4.324 1.00 0.00 N ATOM 179 CA GLU A 231 -6.025 -11.860 4.995 1.00 0.00 C ATOM 180 C GLU A 231 -5.208 -11.850 6.296 1.00 0.00 C ATOM 181 O GLU A 231 -5.665 -12.327 7.346 1.00 0.00 O ATOM 182 CB GLU A 231 -5.514 -12.999 4.058 1.00 0.00 C ATOM 183 CG GLU A 231 -5.975 -14.423 4.440 1.00 0.00 C ATOM 184 CD GLU A 231 -7.471 -14.650 4.153 1.00 0.00 C ATOM 185 OE1 GLU A 231 -8.313 -14.349 5.021 1.00 0.00 O ATOM 186 OE2 GLU A 231 -7.811 -15.108 3.038 1.00 0.00 O ATOM 0 H GLU A 231 -5.489 -10.596 3.402 1.00 0.00 H new ATOM 0 HA GLU A 231 -7.073 -12.046 5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -5.846 -12.788 3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -4.424 -12.978 4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -5.386 -15.154 3.886 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -5.781 -14.594 5.499 1.00 0.00 H new ATOM 193 N ILE A 232 -3.997 -11.266 6.202 1.00 0.00 N ATOM 194 CA ILE A 232 -3.084 -11.141 7.336 1.00 0.00 C ATOM 195 C ILE A 232 -3.614 -10.084 8.320 1.00 0.00 C ATOM 196 O ILE A 232 -3.628 -10.314 9.524 1.00 0.00 O ATOM 197 CB ILE A 232 -1.583 -10.832 6.914 1.00 0.00 C ATOM 198 CG1 ILE A 232 -0.919 -12.041 6.159 1.00 0.00 C ATOM 199 CG2 ILE A 232 -0.710 -10.469 8.148 1.00 0.00 C ATOM 200 CD1 ILE A 232 -1.444 -12.335 4.774 1.00 0.00 C ATOM 0 H ILE A 232 -3.632 -10.871 5.335 1.00 0.00 H new ATOM 0 HA ILE A 232 -3.053 -12.114 7.827 1.00 0.00 H new ATOM 0 HB ILE A 232 -1.629 -9.979 6.237 1.00 0.00 H new ATOM 0 HG12 ILE A 232 0.152 -11.852 6.086 1.00 0.00 H new ATOM 0 HG13 ILE A 232 -1.044 -12.936 6.769 1.00 0.00 H new ATOM 0 HG21 ILE A 232 0.310 -10.264 7.824 1.00 0.00 H new ATOM 0 HG22 ILE A 232 -1.120 -9.585 8.637 1.00 0.00 H new ATOM 0 HG23 ILE A 232 -0.707 -11.303 8.850 1.00 0.00 H new ATOM 0 HD11 ILE A 232 -0.910 -13.188 4.356 1.00 0.00 H new ATOM 0 HD12 ILE A 232 -2.508 -12.565 4.829 1.00 0.00 H new ATOM 0 HD13 ILE A 232 -1.294 -11.464 4.136 1.00 0.00 H new ATOM 212 N GLU A 233 -4.090 -8.947 7.795 1.00 0.00 N ATOM 213 CA GLU A 233 -4.663 -7.863 8.623 1.00 0.00 C ATOM 214 C GLU A 233 -5.906 -8.361 9.409 1.00 0.00 C ATOM 215 O GLU A 233 -6.174 -7.909 10.531 1.00 0.00 O ATOM 216 CB GLU A 233 -5.022 -6.660 7.721 1.00 0.00 C ATOM 217 CG GLU A 233 -5.459 -5.390 8.485 1.00 0.00 C ATOM 218 CD GLU A 233 -5.748 -4.201 7.559 1.00 0.00 C ATOM 219 OE1 GLU A 233 -4.814 -3.435 7.246 1.00 0.00 O ATOM 220 OE2 GLU A 233 -6.901 -4.033 7.124 1.00 0.00 O ATOM 0 H GLU A 233 -4.092 -8.748 6.795 1.00 0.00 H new ATOM 0 HA GLU A 233 -3.921 -7.546 9.356 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -4.158 -6.416 7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -5.825 -6.956 7.046 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -6.352 -5.614 9.069 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -4.677 -5.111 9.192 1.00 0.00 H new ATOM 227 N LYS A 234 -6.627 -9.323 8.804 1.00 0.00 N ATOM 228 CA LYS A 234 -7.804 -9.958 9.411 1.00 0.00 C ATOM 229 C LYS A 234 -7.385 -10.963 10.497 1.00 0.00 C ATOM 230 O LYS A 234 -8.038 -11.050 11.529 1.00 0.00 O ATOM 231 CB LYS A 234 -8.661 -10.669 8.339 1.00 0.00 C ATOM 232 CG LYS A 234 -9.963 -11.320 8.878 1.00 0.00 C ATOM 233 CD LYS A 234 -11.007 -10.302 9.405 1.00 0.00 C ATOM 234 CE LYS A 234 -11.495 -9.332 8.311 1.00 0.00 C ATOM 235 NZ LYS A 234 -11.907 -10.043 7.071 1.00 0.00 N ATOM 0 H LYS A 234 -6.405 -9.681 7.875 1.00 0.00 H new ATOM 0 HA LYS A 234 -8.403 -9.173 9.873 1.00 0.00 H new ATOM 0 HB2 LYS A 234 -8.925 -9.947 7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 234 -8.056 -11.440 7.862 1.00 0.00 H new ATOM 0 HG2 LYS A 234 -10.417 -11.912 8.083 1.00 0.00 H new ATOM 0 HG3 LYS A 234 -9.706 -12.010 9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 234 -11.861 -10.842 9.814 1.00 0.00 H new ATOM 0 HD3 LYS A 234 -10.570 -9.730 10.224 1.00 0.00 H new ATOM 0 HE2 LYS A 234 -12.336 -8.752 8.691 1.00 0.00 H new ATOM 0 HE3 LYS A 234 -10.700 -8.624 8.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 234 -12.368 -9.372 6.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 234 -11.069 -10.450 6.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 234 -12.573 -10.804 7.312 1.00 0.00 H new ATOM 249 N LEU A 235 -6.299 -11.734 10.265 1.00 0.00 N ATOM 250 CA LEU A 235 -5.798 -12.691 11.283 1.00 0.00 C ATOM 251 C LEU A 235 -5.308 -11.916 12.521 1.00 0.00 C ATOM 252 O LEU A 235 -5.458 -12.386 13.644 1.00 0.00 O ATOM 253 CB LEU A 235 -4.720 -13.678 10.689 1.00 0.00 C ATOM 254 CG LEU A 235 -3.218 -13.228 10.564 1.00 0.00 C ATOM 255 CD1 LEU A 235 -2.451 -13.389 11.889 1.00 0.00 C ATOM 256 CD2 LEU A 235 -2.498 -13.989 9.429 1.00 0.00 C ATOM 0 H LEU A 235 -5.760 -11.716 9.399 1.00 0.00 H new ATOM 0 HA LEU A 235 -6.617 -13.335 11.602 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -4.737 -14.581 11.300 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -5.056 -13.962 9.692 1.00 0.00 H new ATOM 0 HG LEU A 235 -3.229 -12.166 10.317 1.00 0.00 H new ATOM 0 HD11 LEU A 235 -1.419 -13.066 11.754 1.00 0.00 H new ATOM 0 HD12 LEU A 235 -2.924 -12.780 12.659 1.00 0.00 H new ATOM 0 HD13 LEU A 235 -2.467 -14.435 12.194 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.462 -13.656 9.368 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -2.524 -15.059 9.635 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -3.000 -13.790 8.482 1.00 0.00 H new ATOM 268 N LYS A 236 -4.768 -10.706 12.283 1.00 0.00 N ATOM 269 CA LYS A 236 -4.287 -9.783 13.327 1.00 0.00 C ATOM 270 C LYS A 236 -5.452 -9.119 14.081 1.00 0.00 C ATOM 271 O LYS A 236 -5.340 -8.828 15.281 1.00 0.00 O ATOM 272 CB LYS A 236 -3.379 -8.729 12.663 1.00 0.00 C ATOM 273 CG LYS A 236 -2.060 -9.326 12.104 1.00 0.00 C ATOM 274 CD LYS A 236 -1.368 -8.409 11.074 1.00 0.00 C ATOM 275 CE LYS A 236 -1.115 -6.988 11.593 1.00 0.00 C ATOM 276 NZ LYS A 236 -0.369 -6.172 10.611 1.00 0.00 N ATOM 0 H LYS A 236 -4.652 -10.336 11.340 1.00 0.00 H new ATOM 0 HA LYS A 236 -3.720 -10.344 14.070 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -3.925 -8.247 11.852 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -3.140 -7.954 13.391 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -1.375 -9.515 12.931 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -2.272 -10.289 11.639 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -0.417 -8.856 10.783 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -1.983 -8.355 10.176 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -2.067 -6.507 11.817 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -0.555 -7.036 12.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -0.217 -5.218 10.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 0.550 -6.618 10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -0.915 -6.105 9.729 1.00 0.00 H new ATOM 290 N GLU A 237 -6.555 -8.871 13.353 1.00 0.00 N ATOM 291 CA GLU A 237 -7.843 -8.438 13.937 1.00 0.00 C ATOM 292 C GLU A 237 -8.338 -9.509 14.933 1.00 0.00 C ATOM 293 O GLU A 237 -8.709 -9.219 16.072 1.00 0.00 O ATOM 294 CB GLU A 237 -8.885 -8.253 12.794 1.00 0.00 C ATOM 295 CG GLU A 237 -10.292 -7.771 13.226 1.00 0.00 C ATOM 296 CD GLU A 237 -10.377 -6.252 13.461 1.00 0.00 C ATOM 297 OE1 GLU A 237 -10.006 -5.776 14.546 1.00 0.00 O ATOM 298 OE2 GLU A 237 -10.830 -5.532 12.550 1.00 0.00 O ATOM 0 H GLU A 237 -6.581 -8.965 12.338 1.00 0.00 H new ATOM 0 HA GLU A 237 -7.714 -7.493 14.464 1.00 0.00 H new ATOM 0 HB2 GLU A 237 -8.483 -7.538 12.076 1.00 0.00 H new ATOM 0 HB3 GLU A 237 -8.993 -9.203 12.271 1.00 0.00 H new ATOM 0 HG2 GLU A 237 -11.015 -8.053 12.460 1.00 0.00 H new ATOM 0 HG3 GLU A 237 -10.579 -8.289 14.141 1.00 0.00 H new ATOM 305 N LEU A 238 -8.286 -10.758 14.455 1.00 0.00 N ATOM 306 CA LEU A 238 -8.711 -11.948 15.193 1.00 0.00 C ATOM 307 C LEU A 238 -7.731 -12.285 16.338 1.00 0.00 C ATOM 308 O LEU A 238 -8.141 -12.902 17.301 1.00 0.00 O ATOM 309 CB LEU A 238 -8.881 -13.158 14.214 1.00 0.00 C ATOM 310 CG LEU A 238 -10.269 -13.307 13.487 1.00 0.00 C ATOM 311 CD1 LEU A 238 -10.732 -12.002 12.797 1.00 0.00 C ATOM 312 CD2 LEU A 238 -10.251 -14.489 12.481 1.00 0.00 C ATOM 0 H LEU A 238 -7.938 -10.972 13.520 1.00 0.00 H new ATOM 0 HA LEU A 238 -9.677 -11.738 15.652 1.00 0.00 H new ATOM 0 HB2 LEU A 238 -8.106 -13.086 13.451 1.00 0.00 H new ATOM 0 HB3 LEU A 238 -8.693 -14.074 14.774 1.00 0.00 H new ATOM 0 HG LEU A 238 -11.000 -13.525 14.265 1.00 0.00 H new ATOM 0 HD11 LEU A 238 -11.695 -12.168 12.313 1.00 0.00 H new ATOM 0 HD12 LEU A 238 -10.831 -11.212 13.542 1.00 0.00 H new ATOM 0 HD13 LEU A 238 -9.997 -11.705 12.049 1.00 0.00 H new ATOM 0 HD21 LEU A 238 -11.223 -14.567 11.994 1.00 0.00 H new ATOM 0 HD22 LEU A 238 -9.482 -14.315 11.729 1.00 0.00 H new ATOM 0 HD23 LEU A 238 -10.036 -15.416 13.013 1.00 0.00 H new ATOM 324 N ARG A 239 -6.444 -11.895 16.204 1.00 0.00 N ATOM 325 CA ARG A 239 -5.403 -12.130 17.246 1.00 0.00 C ATOM 326 C ARG A 239 -5.802 -11.521 18.596 1.00 0.00 C ATOM 327 O ARG A 239 -5.702 -12.175 19.637 1.00 0.00 O ATOM 328 CB ARG A 239 -4.022 -11.553 16.805 1.00 0.00 C ATOM 329 CG ARG A 239 -3.207 -12.442 15.846 1.00 0.00 C ATOM 330 CD ARG A 239 -2.822 -13.770 16.502 1.00 0.00 C ATOM 331 NE ARG A 239 -2.051 -13.569 17.749 1.00 0.00 N ATOM 332 CZ ARG A 239 -1.807 -14.516 18.663 1.00 0.00 C ATOM 333 NH1 ARG A 239 -2.290 -15.748 18.520 1.00 0.00 N ATOM 334 NH2 ARG A 239 -1.085 -14.223 19.727 1.00 0.00 N ATOM 0 H ARG A 239 -6.093 -11.411 15.378 1.00 0.00 H new ATOM 0 HA ARG A 239 -5.318 -13.210 17.364 1.00 0.00 H new ATOM 0 HB2 ARG A 239 -4.187 -10.588 16.326 1.00 0.00 H new ATOM 0 HB3 ARG A 239 -3.424 -11.367 17.697 1.00 0.00 H new ATOM 0 HG2 ARG A 239 -3.789 -12.636 14.945 1.00 0.00 H new ATOM 0 HG3 ARG A 239 -2.306 -11.913 15.536 1.00 0.00 H new ATOM 0 HD2 ARG A 239 -3.724 -14.341 16.722 1.00 0.00 H new ATOM 0 HD3 ARG A 239 -2.232 -14.362 15.803 1.00 0.00 H new ATOM 0 HE ARG A 239 -1.677 -12.637 17.926 1.00 0.00 H new ATOM 0 HH11 ARG A 239 -2.856 -15.983 17.704 1.00 0.00 H new ATOM 0 HH12 ARG A 239 -2.094 -16.458 19.226 1.00 0.00 H new ATOM 0 HH21 ARG A 239 -0.717 -13.280 19.849 1.00 0.00 H new ATOM 0 HH22 ARG A 239 -0.895 -14.940 20.428 1.00 0.00 H new ATOM 348 N ILE A 240 -6.268 -10.269 18.544 1.00 0.00 N ATOM 349 CA ILE A 240 -6.627 -9.497 19.748 1.00 0.00 C ATOM 350 C ILE A 240 -7.918 -10.068 20.382 1.00 0.00 C ATOM 351 O ILE A 240 -8.103 -10.022 21.600 1.00 0.00 O ATOM 352 CB ILE A 240 -6.825 -7.964 19.412 1.00 0.00 C ATOM 353 CG1 ILE A 240 -5.683 -7.428 18.471 1.00 0.00 C ATOM 354 CG2 ILE A 240 -6.922 -7.109 20.706 1.00 0.00 C ATOM 355 CD1 ILE A 240 -4.268 -7.508 19.036 1.00 0.00 C ATOM 0 H ILE A 240 -6.408 -9.760 17.671 1.00 0.00 H new ATOM 0 HA ILE A 240 -5.805 -9.585 20.459 1.00 0.00 H new ATOM 0 HB ILE A 240 -7.770 -7.870 18.876 1.00 0.00 H new ATOM 0 HG12 ILE A 240 -5.714 -7.989 17.537 1.00 0.00 H new ATOM 0 HG13 ILE A 240 -5.898 -6.388 18.225 1.00 0.00 H new ATOM 0 HG21 ILE A 240 -7.058 -6.061 20.440 1.00 0.00 H new ATOM 0 HG22 ILE A 240 -7.771 -7.445 21.301 1.00 0.00 H new ATOM 0 HG23 ILE A 240 -6.006 -7.221 21.285 1.00 0.00 H new ATOM 0 HD11 ILE A 240 -3.562 -7.113 18.306 1.00 0.00 H new ATOM 0 HD12 ILE A 240 -4.209 -6.921 19.953 1.00 0.00 H new ATOM 0 HD13 ILE A 240 -4.021 -8.547 19.254 1.00 0.00 H new ATOM 367 N LYS A 241 -8.785 -10.628 19.523 1.00 0.00 N ATOM 368 CA LYS A 241 -10.105 -11.158 19.917 1.00 0.00 C ATOM 369 C LYS A 241 -10.012 -12.633 20.398 1.00 0.00 C ATOM 370 O LYS A 241 -10.803 -13.070 21.232 1.00 0.00 O ATOM 371 CB LYS A 241 -11.079 -11.015 18.715 1.00 0.00 C ATOM 372 CG LYS A 241 -12.540 -11.436 19.002 1.00 0.00 C ATOM 373 CD LYS A 241 -13.481 -11.155 17.811 1.00 0.00 C ATOM 374 CE LYS A 241 -14.952 -11.461 18.122 1.00 0.00 C ATOM 375 NZ LYS A 241 -15.468 -10.627 19.238 1.00 0.00 N ATOM 0 H LYS A 241 -8.590 -10.728 18.527 1.00 0.00 H new ATOM 0 HA LYS A 241 -10.483 -10.583 20.762 1.00 0.00 H new ATOM 0 HB2 LYS A 241 -11.075 -9.976 18.385 1.00 0.00 H new ATOM 0 HB3 LYS A 241 -10.700 -11.614 17.887 1.00 0.00 H new ATOM 0 HG2 LYS A 241 -12.568 -12.499 19.240 1.00 0.00 H new ATOM 0 HG3 LYS A 241 -12.902 -10.903 19.881 1.00 0.00 H new ATOM 0 HD2 LYS A 241 -13.387 -10.109 17.520 1.00 0.00 H new ATOM 0 HD3 LYS A 241 -13.164 -11.753 16.956 1.00 0.00 H new ATOM 0 HE2 LYS A 241 -15.555 -11.288 17.231 1.00 0.00 H new ATOM 0 HE3 LYS A 241 -15.057 -12.515 18.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 241 -16.503 -10.712 19.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 241 -15.053 -10.952 20.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 241 -15.209 -9.633 19.077 1.00 0.00 H new ATOM 389 N HIS A 242 -9.033 -13.387 19.866 1.00 0.00 N ATOM 390 CA HIS A 242 -8.841 -14.834 20.159 1.00 0.00 C ATOM 391 C HIS A 242 -7.668 -15.039 21.136 1.00 0.00 C ATOM 392 O HIS A 242 -7.363 -16.177 21.521 1.00 0.00 O ATOM 393 CB HIS A 242 -8.589 -15.634 18.844 1.00 0.00 C ATOM 394 CG HIS A 242 -9.759 -15.680 17.871 1.00 0.00 C ATOM 395 ND1 HIS A 242 -10.066 -16.795 17.114 1.00 0.00 N ATOM 396 CD2 HIS A 242 -10.667 -14.735 17.496 1.00 0.00 C ATOM 397 CE1 HIS A 242 -11.089 -16.526 16.327 1.00 0.00 C ATOM 398 NE2 HIS A 242 -11.470 -15.292 16.542 1.00 0.00 N ATOM 0 H HIS A 242 -8.343 -13.014 19.214 1.00 0.00 H new ATOM 0 HA HIS A 242 -9.753 -15.208 20.625 1.00 0.00 H new ATOM 0 HB2 HIS A 242 -7.731 -15.198 18.333 1.00 0.00 H new ATOM 0 HB3 HIS A 242 -8.318 -16.656 19.107 1.00 0.00 H new ATOM 0 HD1 HIS A 242 -9.576 -17.689 17.158 1.00 0.00 H new ATOM 0 HD2 HIS A 242 -10.738 -13.729 17.883 1.00 0.00 H new ATOM 0 HE1 HIS A 242 -11.538 -17.210 15.622 1.00 0.00 H new ATOM 407 N GLY A 243 -7.015 -13.922 21.526 1.00 0.00 N ATOM 408 CA GLY A 243 -5.918 -13.935 22.484 1.00 0.00 C ATOM 409 C GLY A 243 -4.630 -14.532 21.911 1.00 0.00 C ATOM 410 O GLY A 243 -3.816 -13.816 21.314 1.00 0.00 O ATOM 0 H GLY A 243 -7.244 -12.991 21.177 1.00 0.00 H new ATOM 0 HA2 GLY A 243 -5.722 -12.916 22.818 1.00 0.00 H new ATOM 0 HA3 GLY A 243 -6.217 -14.506 23.363 1.00 0.00 H new ATOM 414 N ASN A 244 -4.458 -15.855 22.090 1.00 0.00 N ATOM 415 CA ASN A 244 -3.261 -16.601 21.634 1.00 0.00 C ATOM 416 C ASN A 244 -3.622 -17.718 20.637 1.00 0.00 C ATOM 417 O ASN A 244 -2.721 -18.274 19.992 1.00 0.00 O ATOM 418 CB ASN A 244 -2.481 -17.169 22.857 1.00 0.00 C ATOM 419 CG ASN A 244 -3.303 -18.061 23.804 1.00 0.00 C ATOM 420 OD1 ASN A 244 -4.260 -18.721 23.410 1.00 0.00 O ATOM 421 ND2 ASN A 244 -2.936 -18.093 25.070 1.00 0.00 N ATOM 0 H ASN A 244 -5.147 -16.444 22.557 1.00 0.00 H new ATOM 0 HA ASN A 244 -2.616 -15.901 21.103 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -1.631 -17.744 22.490 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -2.078 -16.334 23.430 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -3.449 -18.671 25.735 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -2.139 -17.540 25.384 1.00 0.00 H new ATOM 428 N ASP A 245 -4.936 -17.999 20.501 1.00 0.00 N ATOM 429 CA ASP A 245 -5.473 -19.035 19.593 1.00 0.00 C ATOM 430 C ASP A 245 -5.041 -18.774 18.134 1.00 0.00 C ATOM 431 O ASP A 245 -5.300 -17.706 17.601 1.00 0.00 O ATOM 432 CB ASP A 245 -7.027 -19.073 19.708 1.00 0.00 C ATOM 433 CG ASP A 245 -7.729 -19.784 18.537 1.00 0.00 C ATOM 434 OD1 ASP A 245 -7.847 -21.031 18.561 1.00 0.00 O ATOM 435 OD2 ASP A 245 -8.129 -19.094 17.564 1.00 0.00 O ATOM 0 H ASP A 245 -5.661 -17.508 21.024 1.00 0.00 H new ATOM 0 HA ASP A 245 -5.068 -20.003 19.887 1.00 0.00 H new ATOM 0 HB2 ASP A 245 -7.299 -19.573 20.638 1.00 0.00 H new ATOM 0 HB3 ASP A 245 -7.400 -18.051 19.774 1.00 0.00 H new ATOM 440 N TRP A 246 -4.294 -19.714 17.555 1.00 0.00 N ATOM 441 CA TRP A 246 -4.014 -19.767 16.107 1.00 0.00 C ATOM 442 C TRP A 246 -5.170 -20.410 15.307 1.00 0.00 C ATOM 443 O TRP A 246 -5.473 -20.001 14.172 1.00 0.00 O ATOM 444 CB TRP A 246 -2.695 -20.541 15.868 1.00 0.00 C ATOM 445 CG TRP A 246 -1.524 -19.987 16.653 1.00 0.00 C ATOM 446 CD1 TRP A 246 -0.791 -20.627 17.614 1.00 0.00 C ATOM 447 CD2 TRP A 246 -0.971 -18.665 16.553 1.00 0.00 C ATOM 448 NE1 TRP A 246 0.187 -19.797 18.094 1.00 0.00 N ATOM 449 CE2 TRP A 246 0.099 -18.588 17.461 1.00 0.00 C ATOM 450 CE3 TRP A 246 -1.276 -17.547 15.773 1.00 0.00 C ATOM 451 CZ2 TRP A 246 0.870 -17.441 17.609 1.00 0.00 C ATOM 452 CZ3 TRP A 246 -0.512 -16.413 15.914 1.00 0.00 C ATOM 453 CH2 TRP A 246 0.554 -16.363 16.826 1.00 0.00 C ATOM 0 H TRP A 246 -3.858 -20.473 18.079 1.00 0.00 H new ATOM 0 HA TRP A 246 -3.915 -18.743 15.747 1.00 0.00 H new ATOM 0 HB2 TRP A 246 -2.842 -21.587 16.138 1.00 0.00 H new ATOM 0 HB3 TRP A 246 -2.455 -20.516 14.805 1.00 0.00 H new ATOM 0 HD1 TRP A 246 -0.959 -21.641 17.946 1.00 0.00 H new ATOM 0 HE1 TRP A 246 0.872 -20.042 18.809 1.00 0.00 H new ATOM 0 HE3 TRP A 246 -2.097 -17.573 15.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 246 1.687 -17.402 18.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 246 -0.736 -15.545 15.312 1.00 0.00 H new ATOM 0 HH2 TRP A 246 1.136 -15.457 16.912 1.00 0.00 H new ATOM 464 N ALA A 247 -5.816 -21.412 15.932 1.00 0.00 N ATOM 465 CA ALA A 247 -6.620 -22.432 15.230 1.00 0.00 C ATOM 466 C ALA A 247 -7.954 -21.894 14.688 1.00 0.00 C ATOM 467 O ALA A 247 -8.258 -22.072 13.504 1.00 0.00 O ATOM 468 CB ALA A 247 -6.859 -23.621 16.171 1.00 0.00 C ATOM 0 H ALA A 247 -5.795 -21.538 16.944 1.00 0.00 H new ATOM 0 HA ALA A 247 -6.051 -22.748 14.356 1.00 0.00 H new ATOM 0 HB1 ALA A 247 -7.452 -24.378 15.658 1.00 0.00 H new ATOM 0 HB2 ALA A 247 -5.901 -24.050 16.466 1.00 0.00 H new ATOM 0 HB3 ALA A 247 -7.393 -23.281 17.058 1.00 0.00 H new ATOM 474 N THR A 248 -8.717 -21.201 15.548 1.00 0.00 N ATOM 475 CA THR A 248 -10.078 -20.714 15.210 1.00 0.00 C ATOM 476 C THR A 248 -9.969 -19.498 14.271 1.00 0.00 C ATOM 477 O THR A 248 -10.891 -19.206 13.501 1.00 0.00 O ATOM 478 CB THR A 248 -10.897 -20.348 16.497 1.00 0.00 C ATOM 479 OG1 THR A 248 -10.815 -21.423 17.447 1.00 0.00 O ATOM 480 CG2 THR A 248 -12.380 -20.044 16.202 1.00 0.00 C ATOM 0 H THR A 248 -8.417 -20.960 16.493 1.00 0.00 H new ATOM 0 HA THR A 248 -10.615 -21.516 14.704 1.00 0.00 H new ATOM 0 HB THR A 248 -10.454 -19.439 16.903 1.00 0.00 H new ATOM 0 HG1 THR A 248 -9.931 -21.418 17.871 1.00 0.00 H new ATOM 0 HG21 THR A 248 -12.893 -19.798 17.132 1.00 0.00 H new ATOM 0 HG22 THR A 248 -12.449 -19.200 15.515 1.00 0.00 H new ATOM 0 HG23 THR A 248 -12.848 -20.919 15.750 1.00 0.00 H new ATOM 488 N ILE A 249 -8.816 -18.797 14.361 1.00 0.00 N ATOM 489 CA ILE A 249 -8.441 -17.746 13.405 1.00 0.00 C ATOM 490 C ILE A 249 -8.318 -18.349 11.988 1.00 0.00 C ATOM 491 O ILE A 249 -9.022 -17.929 11.067 1.00 0.00 O ATOM 492 CB ILE A 249 -7.090 -17.043 13.813 1.00 0.00 C ATOM 493 CG1 ILE A 249 -7.218 -16.356 15.212 1.00 0.00 C ATOM 494 CG2 ILE A 249 -6.615 -16.036 12.735 1.00 0.00 C ATOM 495 CD1 ILE A 249 -6.003 -15.558 15.650 1.00 0.00 C ATOM 0 H ILE A 249 -8.126 -18.948 15.097 1.00 0.00 H new ATOM 0 HA ILE A 249 -9.224 -16.988 13.414 1.00 0.00 H new ATOM 0 HB ILE A 249 -6.328 -17.819 13.885 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -8.083 -15.693 15.196 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -7.418 -17.123 15.960 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -5.681 -15.574 13.055 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -6.456 -16.560 11.792 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -7.373 -15.265 12.598 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -6.189 -15.121 16.631 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -5.136 -16.216 15.704 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -5.811 -14.763 14.929 1.00 0.00 H new ATOM 507 N GLY A 250 -7.439 -19.374 11.866 1.00 0.00 N ATOM 508 CA GLY A 250 -7.217 -20.091 10.602 1.00 0.00 C ATOM 509 C GLY A 250 -8.495 -20.737 10.057 1.00 0.00 C ATOM 510 O GLY A 250 -8.677 -20.835 8.845 1.00 0.00 O ATOM 0 H GLY A 250 -6.871 -19.719 12.640 1.00 0.00 H new ATOM 0 HA2 GLY A 250 -6.820 -19.398 9.860 1.00 0.00 H new ATOM 0 HA3 GLY A 250 -6.461 -20.862 10.754 1.00 0.00 H new ATOM 514 N ALA A 251 -9.397 -21.137 10.976 1.00 0.00 N ATOM 515 CA ALA A 251 -10.701 -21.741 10.637 1.00 0.00 C ATOM 516 C ALA A 251 -11.643 -20.700 10.011 1.00 0.00 C ATOM 517 O ALA A 251 -12.336 -20.994 9.033 1.00 0.00 O ATOM 518 CB ALA A 251 -11.343 -22.357 11.891 1.00 0.00 C ATOM 0 H ALA A 251 -9.240 -21.049 11.980 1.00 0.00 H new ATOM 0 HA ALA A 251 -10.532 -22.529 9.904 1.00 0.00 H new ATOM 0 HB1 ALA A 251 -12.304 -22.799 11.628 1.00 0.00 H new ATOM 0 HB2 ALA A 251 -10.687 -23.128 12.294 1.00 0.00 H new ATOM 0 HB3 ALA A 251 -11.494 -21.581 12.641 1.00 0.00 H new ATOM 524 N ALA A 252 -11.640 -19.476 10.580 1.00 0.00 N ATOM 525 CA ALA A 252 -12.500 -18.361 10.119 1.00 0.00 C ATOM 526 C ALA A 252 -12.034 -17.827 8.752 1.00 0.00 C ATOM 527 O ALA A 252 -12.847 -17.366 7.948 1.00 0.00 O ATOM 528 CB ALA A 252 -12.508 -17.235 11.163 1.00 0.00 C ATOM 0 H ALA A 252 -11.043 -19.231 11.370 1.00 0.00 H new ATOM 0 HA ALA A 252 -13.515 -18.740 10.000 1.00 0.00 H new ATOM 0 HB1 ALA A 252 -13.143 -16.420 10.815 1.00 0.00 H new ATOM 0 HB2 ALA A 252 -12.894 -17.618 12.108 1.00 0.00 H new ATOM 0 HB3 ALA A 252 -11.493 -16.867 11.309 1.00 0.00 H new ATOM 534 N LEU A 253 -10.715 -17.893 8.517 1.00 0.00 N ATOM 535 CA LEU A 253 -10.085 -17.447 7.255 1.00 0.00 C ATOM 536 C LEU A 253 -10.127 -18.546 6.178 1.00 0.00 C ATOM 537 O LEU A 253 -10.011 -18.254 4.982 1.00 0.00 O ATOM 538 CB LEU A 253 -8.614 -17.066 7.523 1.00 0.00 C ATOM 539 CG LEU A 253 -8.384 -15.995 8.623 1.00 0.00 C ATOM 540 CD1 LEU A 253 -6.893 -15.841 8.929 1.00 0.00 C ATOM 541 CD2 LEU A 253 -9.022 -14.643 8.250 1.00 0.00 C ATOM 0 H LEU A 253 -10.048 -18.258 9.197 1.00 0.00 H new ATOM 0 HA LEU A 253 -10.645 -16.587 6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -8.069 -17.968 7.801 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -8.177 -16.704 6.593 1.00 0.00 H new ATOM 0 HG LEU A 253 -8.881 -16.343 9.528 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -6.756 -15.085 9.703 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -6.493 -16.793 9.277 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -6.366 -15.535 8.025 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -8.838 -13.922 9.046 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -8.584 -14.278 7.321 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -10.096 -14.772 8.118 1.00 0.00 H new ATOM 553 N GLY A 254 -10.240 -19.814 6.624 1.00 0.00 N ATOM 554 CA GLY A 254 -10.125 -20.978 5.735 1.00 0.00 C ATOM 555 C GLY A 254 -8.675 -21.293 5.367 1.00 0.00 C ATOM 556 O GLY A 254 -8.420 -22.029 4.416 1.00 0.00 O ATOM 0 H GLY A 254 -10.412 -20.054 7.600 1.00 0.00 H new ATOM 0 HA2 GLY A 254 -10.570 -21.847 6.220 1.00 0.00 H new ATOM 0 HA3 GLY A 254 -10.696 -20.794 4.825 1.00 0.00 H new ATOM 560 N ARG A 255 -7.726 -20.722 6.136 1.00 0.00 N ATOM 561 CA ARG A 255 -6.270 -20.840 5.901 1.00 0.00 C ATOM 562 C ARG A 255 -5.633 -21.759 6.955 1.00 0.00 C ATOM 563 O ARG A 255 -6.310 -22.184 7.899 1.00 0.00 O ATOM 564 CB ARG A 255 -5.625 -19.421 5.948 1.00 0.00 C ATOM 565 CG ARG A 255 -6.256 -18.397 4.976 1.00 0.00 C ATOM 566 CD ARG A 255 -6.179 -18.839 3.504 1.00 0.00 C ATOM 567 NE ARG A 255 -6.914 -17.909 2.632 1.00 0.00 N ATOM 568 CZ ARG A 255 -7.133 -18.060 1.316 1.00 0.00 C ATOM 569 NH1 ARG A 255 -6.672 -19.114 0.656 1.00 0.00 N ATOM 570 NH2 ARG A 255 -7.822 -17.131 0.666 1.00 0.00 N ATOM 0 H ARG A 255 -7.953 -20.155 6.953 1.00 0.00 H new ATOM 0 HA ARG A 255 -6.095 -21.280 4.919 1.00 0.00 H new ATOM 0 HB2 ARG A 255 -5.703 -19.034 6.964 1.00 0.00 H new ATOM 0 HB3 ARG A 255 -4.563 -19.511 5.721 1.00 0.00 H new ATOM 0 HG2 ARG A 255 -7.300 -18.241 5.249 1.00 0.00 H new ATOM 0 HG3 ARG A 255 -5.750 -17.438 5.089 1.00 0.00 H new ATOM 0 HD2 ARG A 255 -5.136 -18.889 3.190 1.00 0.00 H new ATOM 0 HD3 ARG A 255 -6.592 -19.843 3.400 1.00 0.00 H new ATOM 0 HE ARG A 255 -7.293 -17.069 3.069 1.00 0.00 H new ATOM 0 HH11 ARG A 255 -6.139 -19.831 1.148 1.00 0.00 H new ATOM 0 HH12 ARG A 255 -6.851 -19.208 -0.344 1.00 0.00 H new ATOM 0 HH21 ARG A 255 -8.177 -16.316 1.166 1.00 0.00 H new ATOM 0 HH22 ARG A 255 -7.996 -17.232 -0.334 1.00 0.00 H new ATOM 584 N SER A 256 -4.331 -22.060 6.787 1.00 0.00 N ATOM 585 CA SER A 256 -3.578 -22.916 7.723 1.00 0.00 C ATOM 586 C SER A 256 -3.311 -22.146 9.033 1.00 0.00 C ATOM 587 O SER A 256 -2.906 -20.979 8.997 1.00 0.00 O ATOM 588 CB SER A 256 -2.239 -23.373 7.087 1.00 0.00 C ATOM 589 OG SER A 256 -2.431 -23.993 5.829 1.00 0.00 O ATOM 0 H SER A 256 -3.774 -21.719 6.003 1.00 0.00 H new ATOM 0 HA SER A 256 -4.172 -23.803 7.944 1.00 0.00 H new ATOM 0 HB2 SER A 256 -1.581 -22.512 6.970 1.00 0.00 H new ATOM 0 HB3 SER A 256 -1.737 -24.068 7.760 1.00 0.00 H new ATOM 0 HG SER A 256 -1.564 -24.264 5.462 1.00 0.00 H new ATOM 595 N ALA A 257 -3.558 -22.804 10.180 1.00 0.00 N ATOM 596 CA ALA A 257 -3.305 -22.227 11.515 1.00 0.00 C ATOM 597 C ALA A 257 -1.794 -22.002 11.745 1.00 0.00 C ATOM 598 O ALA A 257 -1.395 -21.076 12.463 1.00 0.00 O ATOM 599 CB ALA A 257 -3.902 -23.133 12.595 1.00 0.00 C ATOM 0 H ALA A 257 -3.938 -23.750 10.209 1.00 0.00 H new ATOM 0 HA ALA A 257 -3.790 -21.253 11.573 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -3.712 -22.702 13.578 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -4.977 -23.224 12.440 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -3.443 -24.120 12.537 1.00 0.00 H new ATOM 605 N SER A 258 -0.973 -22.863 11.110 1.00 0.00 N ATOM 606 CA SER A 258 0.497 -22.751 11.108 1.00 0.00 C ATOM 607 C SER A 258 0.955 -21.507 10.312 1.00 0.00 C ATOM 608 O SER A 258 1.946 -20.860 10.672 1.00 0.00 O ATOM 609 CB SER A 258 1.112 -24.035 10.506 1.00 0.00 C ATOM 610 OG SER A 258 0.681 -25.193 11.208 1.00 0.00 O ATOM 0 H SER A 258 -1.317 -23.663 10.579 1.00 0.00 H new ATOM 0 HA SER A 258 0.842 -22.635 12.135 1.00 0.00 H new ATOM 0 HB2 SER A 258 0.830 -24.118 9.456 1.00 0.00 H new ATOM 0 HB3 SER A 258 2.200 -23.970 10.540 1.00 0.00 H new ATOM 0 HG SER A 258 1.084 -25.990 10.804 1.00 0.00 H new ATOM 616 N SER A 259 0.211 -21.181 9.230 1.00 0.00 N ATOM 617 CA SER A 259 0.514 -20.034 8.359 1.00 0.00 C ATOM 618 C SER A 259 0.120 -18.718 9.037 1.00 0.00 C ATOM 619 O SER A 259 0.890 -17.766 8.999 1.00 0.00 O ATOM 620 CB SER A 259 -0.187 -20.183 6.998 1.00 0.00 C ATOM 621 OG SER A 259 0.229 -21.371 6.335 1.00 0.00 O ATOM 0 H SER A 259 -0.613 -21.708 8.941 1.00 0.00 H new ATOM 0 HA SER A 259 1.590 -20.014 8.184 1.00 0.00 H new ATOM 0 HB2 SER A 259 -1.267 -20.202 7.142 1.00 0.00 H new ATOM 0 HB3 SER A 259 0.036 -19.318 6.374 1.00 0.00 H new ATOM 0 HG SER A 259 -0.232 -21.443 5.473 1.00 0.00 H new ATOM 627 N VAL A 260 -1.069 -18.677 9.686 1.00 0.00 N ATOM 628 CA VAL A 260 -1.520 -17.468 10.420 1.00 0.00 C ATOM 629 C VAL A 260 -0.601 -17.213 11.628 1.00 0.00 C ATOM 630 O VAL A 260 -0.358 -16.058 12.011 1.00 0.00 O ATOM 631 CB VAL A 260 -3.037 -17.531 10.861 1.00 0.00 C ATOM 632 CG1 VAL A 260 -3.953 -17.837 9.648 1.00 0.00 C ATOM 633 CG2 VAL A 260 -3.301 -18.520 12.031 1.00 0.00 C ATOM 0 H VAL A 260 -1.726 -19.456 9.717 1.00 0.00 H new ATOM 0 HA VAL A 260 -1.449 -16.630 9.727 1.00 0.00 H new ATOM 0 HB VAL A 260 -3.285 -16.542 11.246 1.00 0.00 H new ATOM 0 HG11 VAL A 260 -4.992 -17.875 9.977 1.00 0.00 H new ATOM 0 HG12 VAL A 260 -3.838 -17.054 8.899 1.00 0.00 H new ATOM 0 HG13 VAL A 260 -3.674 -18.797 9.215 1.00 0.00 H new ATOM 0 HG21 VAL A 260 -4.362 -18.512 12.282 1.00 0.00 H new ATOM 0 HG22 VAL A 260 -3.006 -19.526 11.731 1.00 0.00 H new ATOM 0 HG23 VAL A 260 -2.720 -18.216 12.902 1.00 0.00 H new ATOM 643 N LYS A 261 -0.074 -18.319 12.187 1.00 0.00 N ATOM 644 CA LYS A 261 0.958 -18.284 13.222 1.00 0.00 C ATOM 645 C LYS A 261 2.231 -17.635 12.694 1.00 0.00 C ATOM 646 O LYS A 261 2.784 -16.749 13.333 1.00 0.00 O ATOM 647 CB LYS A 261 1.250 -19.707 13.750 1.00 0.00 C ATOM 648 CG LYS A 261 2.359 -19.773 14.826 1.00 0.00 C ATOM 649 CD LYS A 261 2.557 -21.192 15.388 1.00 0.00 C ATOM 650 CE LYS A 261 3.699 -21.246 16.407 1.00 0.00 C ATOM 651 NZ LYS A 261 3.954 -22.620 16.881 1.00 0.00 N ATOM 0 H LYS A 261 -0.359 -19.263 11.927 1.00 0.00 H new ATOM 0 HA LYS A 261 0.587 -17.681 14.051 1.00 0.00 H new ATOM 0 HB2 LYS A 261 0.332 -20.123 14.165 1.00 0.00 H new ATOM 0 HB3 LYS A 261 1.536 -20.341 12.911 1.00 0.00 H new ATOM 0 HG2 LYS A 261 3.298 -19.422 14.397 1.00 0.00 H new ATOM 0 HG3 LYS A 261 2.109 -19.095 15.642 1.00 0.00 H new ATOM 0 HD2 LYS A 261 1.633 -21.529 15.859 1.00 0.00 H new ATOM 0 HD3 LYS A 261 2.767 -21.881 14.570 1.00 0.00 H new ATOM 0 HE2 LYS A 261 4.606 -20.844 15.956 1.00 0.00 H new ATOM 0 HE3 LYS A 261 3.456 -20.609 17.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 4.734 -22.611 17.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 3.097 -22.995 17.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 4.211 -23.224 16.074 1.00 0.00 H new ATOM 665 N ASP A 262 2.656 -18.080 11.510 1.00 0.00 N ATOM 666 CA ASP A 262 3.886 -17.610 10.845 1.00 0.00 C ATOM 667 C ASP A 262 3.835 -16.104 10.524 1.00 0.00 C ATOM 668 O ASP A 262 4.831 -15.397 10.708 1.00 0.00 O ATOM 669 CB ASP A 262 4.106 -18.434 9.544 1.00 0.00 C ATOM 670 CG ASP A 262 5.374 -18.043 8.760 1.00 0.00 C ATOM 671 OD1 ASP A 262 6.472 -18.506 9.134 1.00 0.00 O ATOM 672 OD2 ASP A 262 5.274 -17.292 7.756 1.00 0.00 O ATOM 0 H ASP A 262 2.153 -18.787 10.974 1.00 0.00 H new ATOM 0 HA ASP A 262 4.722 -17.759 11.529 1.00 0.00 H new ATOM 0 HB2 ASP A 262 4.162 -19.492 9.801 1.00 0.00 H new ATOM 0 HB3 ASP A 262 3.238 -18.309 8.896 1.00 0.00 H new ATOM 677 N ARG A 263 2.667 -15.633 10.050 1.00 0.00 N ATOM 678 CA ARG A 263 2.488 -14.239 9.599 1.00 0.00 C ATOM 679 C ARG A 263 2.414 -13.287 10.805 1.00 0.00 C ATOM 680 O ARG A 263 3.044 -12.221 10.799 1.00 0.00 O ATOM 681 CB ARG A 263 1.228 -14.067 8.696 1.00 0.00 C ATOM 682 CG ARG A 263 1.099 -15.052 7.497 1.00 0.00 C ATOM 683 CD ARG A 263 2.419 -15.291 6.734 1.00 0.00 C ATOM 684 NE ARG A 263 3.001 -14.048 6.203 1.00 0.00 N ATOM 685 CZ ARG A 263 4.295 -13.865 5.891 1.00 0.00 C ATOM 686 NH1 ARG A 263 5.213 -14.796 6.133 1.00 0.00 N ATOM 687 NH2 ARG A 263 4.669 -12.723 5.366 1.00 0.00 N ATOM 0 H ARG A 263 1.825 -16.203 9.969 1.00 0.00 H new ATOM 0 HA ARG A 263 3.358 -13.984 8.994 1.00 0.00 H new ATOM 0 HB2 ARG A 263 0.342 -14.172 9.322 1.00 0.00 H new ATOM 0 HB3 ARG A 263 1.224 -13.050 8.305 1.00 0.00 H new ATOM 0 HG2 ARG A 263 0.726 -16.008 7.864 1.00 0.00 H new ATOM 0 HG3 ARG A 263 0.354 -14.665 6.801 1.00 0.00 H new ATOM 0 HD2 ARG A 263 3.138 -15.768 7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 263 2.238 -15.983 5.912 1.00 0.00 H new ATOM 0 HE ARG A 263 2.370 -13.260 6.060 1.00 0.00 H new ATOM 0 HH11 ARG A 263 4.942 -15.678 6.567 1.00 0.00 H new ATOM 0 HH12 ARG A 263 6.188 -14.628 5.885 1.00 0.00 H new ATOM 0 HH21 ARG A 263 3.981 -11.988 5.200 1.00 0.00 H new ATOM 0 HH22 ARG A 263 5.648 -12.569 5.124 1.00 0.00 H new ATOM 701 N CYS A 264 1.641 -13.688 11.842 1.00 0.00 N ATOM 702 CA CYS A 264 1.516 -12.910 13.095 1.00 0.00 C ATOM 703 C CYS A 264 2.842 -12.881 13.860 1.00 0.00 C ATOM 704 O CYS A 264 3.161 -11.878 14.522 1.00 0.00 O ATOM 705 CB CYS A 264 0.427 -13.486 14.016 1.00 0.00 C ATOM 706 SG CYS A 264 0.256 -12.609 15.591 1.00 0.00 S ATOM 0 H CYS A 264 1.094 -14.549 11.834 1.00 0.00 H new ATOM 0 HA CYS A 264 1.237 -11.897 12.805 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -0.528 -13.461 13.492 1.00 0.00 H new ATOM 0 HB3 CYS A 264 0.652 -14.533 14.217 1.00 0.00 H new ATOM 0 HG CYS A 264 1.345 -11.943 15.837 1.00 0.00 H new ATOM 712 N ARG A 265 3.590 -14.002 13.782 1.00 0.00 N ATOM 713 CA ARG A 265 4.904 -14.126 14.425 1.00 0.00 C ATOM 714 C ARG A 265 5.872 -13.140 13.779 1.00 0.00 C ATOM 715 O ARG A 265 6.431 -12.309 14.465 1.00 0.00 O ATOM 716 CB ARG A 265 5.470 -15.577 14.334 1.00 0.00 C ATOM 717 CG ARG A 265 6.811 -15.788 15.082 1.00 0.00 C ATOM 718 CD ARG A 265 6.706 -15.456 16.584 1.00 0.00 C ATOM 719 NE ARG A 265 8.004 -15.575 17.276 1.00 0.00 N ATOM 720 CZ ARG A 265 8.281 -16.432 18.275 1.00 0.00 C ATOM 721 NH1 ARG A 265 7.366 -17.297 18.706 1.00 0.00 N ATOM 722 NH2 ARG A 265 9.476 -16.399 18.849 1.00 0.00 N ATOM 0 H ARG A 265 3.298 -14.837 13.274 1.00 0.00 H new ATOM 0 HA ARG A 265 4.786 -13.897 15.484 1.00 0.00 H new ATOM 0 HB2 ARG A 265 4.730 -16.269 14.737 1.00 0.00 H new ATOM 0 HB3 ARG A 265 5.609 -15.835 13.284 1.00 0.00 H new ATOM 0 HG2 ARG A 265 7.131 -16.823 14.963 1.00 0.00 H new ATOM 0 HG3 ARG A 265 7.579 -15.163 14.628 1.00 0.00 H new ATOM 0 HD2 ARG A 265 6.325 -14.442 16.704 1.00 0.00 H new ATOM 0 HD3 ARG A 265 5.984 -16.125 17.052 1.00 0.00 H new ATOM 0 HE ARG A 265 8.754 -14.955 16.971 1.00 0.00 H new ATOM 0 HH11 ARG A 265 6.440 -17.316 18.278 1.00 0.00 H new ATOM 0 HH12 ARG A 265 7.590 -17.941 19.465 1.00 0.00 H new ATOM 0 HH21 ARG A 265 10.176 -15.728 18.532 1.00 0.00 H new ATOM 0 HH22 ARG A 265 9.696 -17.045 19.607 1.00 0.00 H new