USER MOD reduce.3.24.130724 H: found=0, std=0, add=330, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 328 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 284 SER OG : rot 180:sc= 0.461 USER MOD Set 1.2: A 287 GLN : amide:sc= 0.997 K(o=1.5,f=0.93) USER MOD Set 2.1: A 259 CYS SG : rot -177:sc= 1.08 USER MOD Set 2.2: A 264 CYS SG : rot 149:sc= 2.21 USER MOD Set 2.3: A 266 LYS NZ :NH3+ 133:sc= 1.42 (180deg=-0.139) USER MOD Set 2.4: A 285 CYS SG : rot 60:sc= 3.04 USER MOD Set 2.5: A 296 CYS SG : rot -7:sc= 1.35 USER MOD Single : A 258 GLN : amide:sc= 0.742 K(o=0.74,f=-1.2) USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : A 263 ASN : amide:sc= 0.0565 K(o=0.057,f=-1.2) USER MOD Single : A 277 SER OG : rot -33:sc= 0.00511 USER MOD Single : A 282 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 288 ASN : amide:sc= -0.0665 X(o=-0.067,f=-0.33) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 292 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 293 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 ASN : amide:sc= -0.376 K(o=-0.38,f=-1.3) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 194 N VAL A 255 1.602 0.876 -4.951 1.00 0.00 N ATOM 195 CA VAL A 255 0.260 1.334 -4.559 1.00 0.00 C ATOM 196 C VAL A 255 0.057 1.091 -3.062 1.00 0.00 C ATOM 197 O VAL A 255 0.387 0.020 -2.546 1.00 0.00 O ATOM 198 CB VAL A 255 -0.845 0.621 -5.378 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.253 1.134 -5.016 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.641 0.795 -6.896 1.00 0.00 C ATOM 0 HA VAL A 255 0.184 2.401 -4.769 1.00 0.00 H new ATOM 0 HB VAL A 255 -0.766 -0.435 -5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -2.997 0.607 -5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.445 0.955 -3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.314 2.203 -5.220 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.438 0.279 -7.432 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.662 1.856 -7.147 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.322 0.373 -7.184 1.00 0.00 H new ATOM 210 N TRP A 256 -0.522 2.085 -2.386 1.00 0.00 N ATOM 211 CA TRP A 256 -0.874 2.049 -0.968 1.00 0.00 C ATOM 212 C TRP A 256 -2.374 2.332 -0.774 1.00 0.00 C ATOM 213 O TRP A 256 -2.950 3.186 -1.455 1.00 0.00 O ATOM 214 CB TRP A 256 -0.047 3.097 -0.210 1.00 0.00 C ATOM 215 CG TRP A 256 1.436 2.924 -0.161 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.306 3.303 -1.121 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.247 2.359 0.913 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.595 3.006 -0.729 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.618 2.399 0.510 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.956 1.793 2.176 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.645 1.868 1.306 1.00 0.00 C ATOM 222 CZ3 TRP A 256 2.981 1.255 2.973 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.316 1.287 2.540 1.00 0.00 C ATOM 0 H TRP A 256 -0.767 2.970 -2.829 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.656 1.055 -0.577 1.00 0.00 H new ATOM 0 HB2 TRP A 256 -0.254 4.070 -0.655 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.413 3.131 0.816 1.00 0.00 H new ATOM 0 HD1 TRP A 256 2.034 3.769 -2.056 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.426 3.209 -1.285 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.936 1.774 2.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.672 1.906 0.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.739 0.813 3.928 1.00 0.00 H new ATOM 0 HH2 TRP A 256 5.093 0.863 3.159 1.00 0.00 H new ATOM 234 N VAL A 257 -2.983 1.652 0.199 1.00 0.00 N ATOM 235 CA VAL A 257 -4.414 1.776 0.549 1.00 0.00 C ATOM 236 C VAL A 257 -4.598 2.049 2.036 1.00 0.00 C ATOM 237 O VAL A 257 -3.962 1.399 2.864 1.00 0.00 O ATOM 238 CB VAL A 257 -5.226 0.514 0.179 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.663 0.575 -1.282 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.468 -0.798 0.439 1.00 0.00 C ATOM 0 H VAL A 257 -2.488 0.980 0.786 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.789 2.617 -0.034 1.00 0.00 H new ATOM 0 HB VAL A 257 -6.098 0.510 0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.234 -0.320 -1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.284 1.457 -1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.783 0.632 -1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -5.096 -1.643 0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.553 -0.813 -0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -4.217 -0.870 1.497 1.00 0.00 H new ATOM 250 N GLN A 258 -5.466 3.010 2.360 1.00 0.00 N ATOM 251 CA GLN A 258 -5.784 3.402 3.731 1.00 0.00 C ATOM 252 C GLN A 258 -7.054 2.700 4.223 1.00 0.00 C ATOM 253 O GLN A 258 -8.091 2.728 3.555 1.00 0.00 O ATOM 254 CB GLN A 258 -5.921 4.928 3.837 1.00 0.00 C ATOM 255 CG GLN A 258 -5.991 5.390 5.303 1.00 0.00 C ATOM 256 CD GLN A 258 -5.906 6.911 5.458 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.526 7.681 4.737 1.00 0.00 O ATOM 258 NE2 GLN A 258 -5.142 7.405 6.412 1.00 0.00 N ATOM 0 H GLN A 258 -5.977 3.548 1.660 1.00 0.00 H new ATOM 0 HA GLN A 258 -4.962 3.088 4.375 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -5.074 5.405 3.345 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.819 5.251 3.310 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.923 5.037 5.745 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.178 4.928 5.863 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.618 6.778 7.022 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -5.075 8.415 6.540 1.00 0.00 H new ATOM 267 N CYS A 259 -6.962 2.113 5.419 1.00 0.00 N ATOM 268 CA CYS A 259 -8.057 1.461 6.130 1.00 0.00 C ATOM 269 C CYS A 259 -9.293 2.377 6.289 1.00 0.00 C ATOM 270 O CYS A 259 -9.178 3.567 6.603 1.00 0.00 O ATOM 271 CB CYS A 259 -7.504 1.025 7.489 1.00 0.00 C ATOM 272 SG CYS A 259 -8.669 -0.111 8.285 1.00 0.00 S ATOM 0 H CYS A 259 -6.084 2.079 5.937 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.412 0.604 5.558 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.537 0.539 7.360 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.340 1.897 8.123 1.00 0.00 H new ATOM 0 HG CYS A 259 -8.225 -0.432 9.464 1.00 0.00 H new ATOM 277 N SER A 260 -10.486 1.821 6.084 1.00 0.00 N ATOM 278 CA SER A 260 -11.767 2.532 6.204 1.00 0.00 C ATOM 279 C SER A 260 -12.122 2.960 7.639 1.00 0.00 C ATOM 280 O SER A 260 -12.885 3.917 7.817 1.00 0.00 O ATOM 281 CB SER A 260 -12.915 1.685 5.629 1.00 0.00 C ATOM 282 OG SER A 260 -13.007 0.416 6.263 1.00 0.00 O ATOM 0 H SER A 260 -10.596 0.841 5.824 1.00 0.00 H new ATOM 0 HA SER A 260 -11.639 3.448 5.627 1.00 0.00 H new ATOM 0 HB2 SER A 260 -13.857 2.220 5.750 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.763 1.546 4.559 1.00 0.00 H new ATOM 0 HG SER A 260 -13.748 -0.092 5.872 1.00 0.00 H new ATOM 288 N PHE A 261 -11.565 2.305 8.666 1.00 0.00 N ATOM 289 CA PHE A 261 -11.802 2.662 10.060 1.00 0.00 C ATOM 290 C PHE A 261 -10.963 3.879 10.492 1.00 0.00 C ATOM 291 O PHE A 261 -9.755 3.919 10.232 1.00 0.00 O ATOM 292 CB PHE A 261 -11.530 1.461 10.966 1.00 0.00 C ATOM 293 CG PHE A 261 -12.501 0.314 10.796 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.803 0.409 11.325 1.00 0.00 C ATOM 295 CD2 PHE A 261 -12.100 -0.857 10.126 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.699 -0.665 11.179 1.00 0.00 C ATOM 297 CE2 PHE A 261 -12.991 -1.933 9.993 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.294 -1.837 10.514 1.00 0.00 C ATOM 0 H PHE A 261 -10.936 1.511 8.547 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.850 2.946 10.158 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.521 1.098 10.773 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.556 1.792 12.004 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -14.113 1.305 11.842 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -11.104 -0.928 9.713 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.700 -0.590 11.578 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.676 -2.835 9.490 1.00 0.00 H new ATOM 0 HZ PHE A 261 -14.983 -2.662 10.404 1.00 0.00 H new ATOM 308 N PRO A 262 -11.577 4.847 11.201 1.00 0.00 N ATOM 309 CA PRO A 262 -10.926 6.080 11.636 1.00 0.00 C ATOM 310 C PRO A 262 -9.912 5.844 12.761 1.00 0.00 C ATOM 311 O PRO A 262 -8.888 6.522 12.822 1.00 0.00 O ATOM 312 CB PRO A 262 -12.079 6.969 12.105 1.00 0.00 C ATOM 313 CG PRO A 262 -13.142 5.986 12.597 1.00 0.00 C ATOM 314 CD PRO A 262 -12.965 4.814 11.642 1.00 0.00 C ATOM 0 HA PRO A 262 -10.344 6.531 10.832 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.763 7.643 12.901 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.458 7.590 11.293 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -12.977 5.694 13.634 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -14.145 6.409 12.540 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.192 3.871 12.139 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.644 4.899 10.794 1.00 0.00 H new ATOM 322 N ASN A 263 -10.165 4.851 13.619 1.00 0.00 N ATOM 323 CA ASN A 263 -9.252 4.396 14.675 1.00 0.00 C ATOM 324 C ASN A 263 -8.074 3.542 14.149 1.00 0.00 C ATOM 325 O ASN A 263 -7.169 3.202 14.916 1.00 0.00 O ATOM 326 CB ASN A 263 -10.061 3.649 15.747 1.00 0.00 C ATOM 327 CG ASN A 263 -10.720 2.383 15.208 1.00 0.00 C ATOM 328 OD1 ASN A 263 -11.747 2.438 14.540 1.00 0.00 O ATOM 329 ND2 ASN A 263 -10.150 1.219 15.461 1.00 0.00 N ATOM 0 H ASN A 263 -11.038 4.324 13.598 1.00 0.00 H new ATOM 0 HA ASN A 263 -8.784 5.278 15.113 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.404 3.387 16.576 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -10.829 4.312 16.146 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -10.564 0.359 15.100 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -9.296 1.180 16.017 1.00 0.00 H new ATOM 336 N CYS A 264 -8.077 3.218 12.851 1.00 0.00 N ATOM 337 CA CYS A 264 -6.972 2.594 12.124 1.00 0.00 C ATOM 338 C CYS A 264 -6.223 3.683 11.343 1.00 0.00 C ATOM 339 O CYS A 264 -5.176 4.160 11.788 1.00 0.00 O ATOM 340 CB CYS A 264 -7.536 1.485 11.215 1.00 0.00 C ATOM 341 SG CYS A 264 -6.544 -0.029 11.247 1.00 0.00 S ATOM 0 H CYS A 264 -8.886 3.392 12.255 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.258 2.125 12.801 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.555 1.252 11.525 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.591 1.855 10.191 1.00 0.00 H new ATOM 0 HG CYS A 264 -7.315 -1.057 11.049 1.00 0.00 H new ATOM 346 N GLY A 265 -6.761 4.070 10.176 1.00 0.00 N ATOM 347 CA GLY A 265 -6.142 5.010 9.246 1.00 0.00 C ATOM 348 C GLY A 265 -4.810 4.512 8.678 1.00 0.00 C ATOM 349 O GLY A 265 -4.051 5.305 8.122 1.00 0.00 O ATOM 0 H GLY A 265 -7.664 3.725 9.850 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.830 5.203 8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -5.979 5.960 9.755 1.00 0.00 H new ATOM 353 N LYS A 266 -4.517 3.216 8.827 1.00 0.00 N ATOM 354 CA LYS A 266 -3.250 2.595 8.445 1.00 0.00 C ATOM 355 C LYS A 266 -3.118 2.427 6.933 1.00 0.00 C ATOM 356 O LYS A 266 -4.096 2.100 6.259 1.00 0.00 O ATOM 357 CB LYS A 266 -3.129 1.221 9.105 1.00 0.00 C ATOM 358 CG LYS A 266 -2.989 1.304 10.619 1.00 0.00 C ATOM 359 CD LYS A 266 -2.869 -0.126 11.138 1.00 0.00 C ATOM 360 CE LYS A 266 -2.830 -0.157 12.657 1.00 0.00 C ATOM 361 NZ LYS A 266 -4.134 0.238 13.254 1.00 0.00 N ATOM 0 H LYS A 266 -5.178 2.552 9.230 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.454 3.258 8.783 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -4.008 0.626 8.858 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.265 0.700 8.693 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.110 1.888 10.893 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.853 1.802 11.059 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.712 -0.717 10.781 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -1.965 -0.586 10.739 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.566 -1.160 12.993 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -2.049 0.515 13.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -4.395 -0.441 13.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -4.053 1.189 13.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.867 0.242 12.516 1.00 0.00 H new ATOM 375 N TRP A 267 -1.898 2.566 6.415 1.00 0.00 N ATOM 376 CA TRP A 267 -1.567 2.333 5.018 1.00 0.00 C ATOM 377 C TRP A 267 -0.897 0.968 4.846 1.00 0.00 C ATOM 378 O TRP A 267 0.121 0.678 5.479 1.00 0.00 O ATOM 379 CB TRP A 267 -0.689 3.485 4.521 1.00 0.00 C ATOM 380 CG TRP A 267 -1.382 4.808 4.448 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.443 5.731 5.431 1.00 0.00 C ATOM 382 CD2 TRP A 267 -2.140 5.363 3.335 1.00 0.00 C ATOM 383 NE1 TRP A 267 -2.126 6.845 4.979 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.565 6.680 3.680 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.519 4.872 2.070 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.274 7.494 2.782 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.248 5.668 1.170 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.593 6.986 1.511 1.00 0.00 C ATOM 0 H TRP A 267 -1.094 2.852 6.974 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.473 2.309 4.413 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.174 3.577 5.180 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.308 3.234 3.531 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -1.023 5.617 6.419 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.286 7.685 5.536 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.245 3.867 1.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.569 8.494 3.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.544 5.265 0.213 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -4.105 7.611 0.794 1.00 0.00 H new ATOM 399 N ARG A 268 -1.477 0.135 3.975 1.00 0.00 N ATOM 400 CA ARG A 268 -0.954 -1.179 3.587 1.00 0.00 C ATOM 401 C ARG A 268 -0.546 -1.167 2.104 1.00 0.00 C ATOM 402 O ARG A 268 -1.148 -0.446 1.298 1.00 0.00 O ATOM 403 CB ARG A 268 -1.992 -2.288 3.856 1.00 0.00 C ATOM 404 CG ARG A 268 -2.717 -2.260 5.215 1.00 0.00 C ATOM 405 CD ARG A 268 -1.824 -2.337 6.452 1.00 0.00 C ATOM 406 NE ARG A 268 -2.653 -2.564 7.649 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.231 -2.787 8.882 1.00 0.00 C ATOM 408 NH1 ARG A 268 -0.974 -2.662 9.239 1.00 0.00 N ATOM 409 NH2 ARG A 268 -3.099 -3.128 9.797 1.00 0.00 N ATOM 0 H ARG A 268 -2.353 0.365 3.505 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.073 -1.392 4.192 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -2.746 -2.243 3.070 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.490 -3.251 3.761 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.305 -1.344 5.272 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.420 -3.092 5.247 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -1.100 -3.144 6.340 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.256 -1.413 6.561 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.664 -2.547 7.511 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.274 -2.382 8.552 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.697 -2.845 10.203 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -4.086 -3.219 9.555 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.790 -3.304 10.753 1.00 0.00 H new ATOM 423 N ARG A 269 0.478 -1.959 1.770 1.00 0.00 N ATOM 424 CA ARG A 269 1.056 -2.123 0.424 1.00 0.00 C ATOM 425 C ARG A 269 0.286 -3.178 -0.385 1.00 0.00 C ATOM 426 O ARG A 269 -0.194 -4.155 0.192 1.00 0.00 O ATOM 427 CB ARG A 269 2.522 -2.570 0.551 1.00 0.00 C ATOM 428 CG ARG A 269 3.418 -1.480 1.133 1.00 0.00 C ATOM 429 CD ARG A 269 4.789 -2.001 1.567 1.00 0.00 C ATOM 430 NE ARG A 269 5.551 -2.649 0.487 1.00 0.00 N ATOM 431 CZ ARG A 269 6.576 -3.472 0.680 1.00 0.00 C ATOM 432 NH1 ARG A 269 7.022 -3.755 1.888 1.00 0.00 N ATOM 433 NH2 ARG A 269 7.173 -4.026 -0.354 1.00 0.00 N ATOM 0 H ARG A 269 0.954 -2.535 2.465 1.00 0.00 H new ATOM 0 HA ARG A 269 0.990 -1.166 -0.094 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.575 -3.456 1.184 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.897 -2.858 -0.431 1.00 0.00 H new ATOM 0 HG2 ARG A 269 3.553 -0.694 0.390 1.00 0.00 H new ATOM 0 HG3 ARG A 269 2.920 -1.027 1.990 1.00 0.00 H new ATOM 0 HD2 ARG A 269 5.374 -1.170 1.963 1.00 0.00 H new ATOM 0 HD3 ARG A 269 4.655 -2.713 2.381 1.00 0.00 H new ATOM 0 HE ARG A 269 5.273 -2.453 -0.475 1.00 0.00 H new ATOM 0 HH11 ARG A 269 6.578 -3.338 2.706 1.00 0.00 H new ATOM 0 HH12 ARG A 269 7.811 -4.391 2.004 1.00 0.00 H new ATOM 0 HH21 ARG A 269 6.848 -3.823 -1.299 1.00 0.00 H new ATOM 0 HH22 ARG A 269 7.960 -4.658 -0.210 1.00 0.00 H new ATOM 447 N LEU A 270 0.213 -3.013 -1.710 1.00 0.00 N ATOM 448 CA LEU A 270 -0.496 -3.923 -2.630 1.00 0.00 C ATOM 449 C LEU A 270 0.409 -4.527 -3.716 1.00 0.00 C ATOM 450 O LEU A 270 1.498 -4.025 -4.004 1.00 0.00 O ATOM 451 CB LEU A 270 -1.672 -3.175 -3.287 1.00 0.00 C ATOM 452 CG LEU A 270 -2.777 -2.713 -2.326 1.00 0.00 C ATOM 453 CD1 LEU A 270 -3.878 -2.063 -3.165 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.386 -3.863 -1.509 1.00 0.00 C ATOM 0 H LEU A 270 0.653 -2.227 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.856 -4.759 -2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.279 -2.302 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -2.117 -3.824 -4.041 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.336 -2.019 -1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.681 -1.723 -2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.467 -1.212 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.272 -2.790 -3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.160 -3.471 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.823 -4.598 -2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.607 -4.337 -0.912 1.00 0.00 H new ATOM 529 N PRO A 276 -5.647 1.028 -7.932 1.00 0.00 N ATOM 530 CA PRO A 276 -6.518 1.714 -6.983 1.00 0.00 C ATOM 531 C PRO A 276 -7.854 2.184 -7.580 1.00 0.00 C ATOM 532 O PRO A 276 -8.778 2.480 -6.828 1.00 0.00 O ATOM 533 CB PRO A 276 -5.685 2.865 -6.415 1.00 0.00 C ATOM 534 CG PRO A 276 -4.656 3.151 -7.503 1.00 0.00 C ATOM 535 CD PRO A 276 -4.416 1.783 -8.132 1.00 0.00 C ATOM 0 HA PRO A 276 -6.837 1.025 -6.201 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.302 3.740 -6.210 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.206 2.585 -5.477 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.032 3.868 -8.233 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -3.739 3.569 -7.088 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.184 1.877 -9.193 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.570 1.281 -7.663 1.00 0.00 H new ATOM 543 N SER A 277 -8.009 2.195 -8.911 1.00 0.00 N ATOM 544 CA SER A 277 -9.282 2.498 -9.580 1.00 0.00 C ATOM 545 C SER A 277 -10.289 1.326 -9.531 1.00 0.00 C ATOM 546 O SER A 277 -11.477 1.535 -9.793 1.00 0.00 O ATOM 547 CB SER A 277 -8.993 2.930 -11.030 1.00 0.00 C ATOM 548 OG SER A 277 -10.079 3.628 -11.630 1.00 0.00 O ATOM 0 H SER A 277 -7.248 1.992 -9.559 1.00 0.00 H new ATOM 0 HA SER A 277 -9.762 3.313 -9.038 1.00 0.00 H new ATOM 0 HB2 SER A 277 -8.108 3.566 -11.044 1.00 0.00 H new ATOM 0 HB3 SER A 277 -8.761 2.048 -11.627 1.00 0.00 H new ATOM 0 HG SER A 277 -10.925 3.280 -11.279 1.00 0.00 H new ATOM 554 N VAL A 278 -9.858 0.109 -9.150 1.00 0.00 N ATOM 555 CA VAL A 278 -10.725 -1.092 -9.043 1.00 0.00 C ATOM 556 C VAL A 278 -10.876 -1.620 -7.600 1.00 0.00 C ATOM 557 O VAL A 278 -11.209 -2.789 -7.398 1.00 0.00 O ATOM 558 CB VAL A 278 -10.339 -2.209 -10.049 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.399 -1.698 -11.499 1.00 0.00 C ATOM 560 CG2 VAL A 278 -8.959 -2.839 -9.793 1.00 0.00 C ATOM 0 H VAL A 278 -8.886 -0.076 -8.903 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.718 -0.750 -9.333 1.00 0.00 H new ATOM 0 HB VAL A 278 -11.081 -2.992 -9.893 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -10.123 -2.503 -12.180 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.411 -1.362 -11.725 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -9.705 -0.866 -11.621 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.767 -3.610 -10.539 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -8.190 -2.070 -9.859 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -8.941 -3.285 -8.798 1.00 0.00 H new ATOM 570 N LEU A 279 -10.649 -0.766 -6.590 1.00 0.00 N ATOM 571 CA LEU A 279 -10.762 -1.111 -5.163 1.00 0.00 C ATOM 572 C LEU A 279 -12.003 -0.475 -4.493 1.00 0.00 C ATOM 573 O LEU A 279 -12.473 0.573 -4.948 1.00 0.00 O ATOM 574 CB LEU A 279 -9.456 -0.723 -4.441 1.00 0.00 C ATOM 575 CG LEU A 279 -8.256 -1.593 -4.861 1.00 0.00 C ATOM 576 CD1 LEU A 279 -6.970 -1.037 -4.250 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.424 -3.046 -4.382 1.00 0.00 C ATOM 0 H LEU A 279 -10.376 0.204 -6.745 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.908 -2.188 -5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.230 0.323 -4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.602 -0.811 -3.364 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.204 -1.576 -5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -6.126 -1.657 -4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.813 -0.016 -4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -7.053 -1.040 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.561 -3.634 -4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.501 -3.064 -3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.329 -3.470 -4.817 1.00 0.00 H new ATOM 589 N PRO A 280 -12.542 -1.115 -3.432 1.00 0.00 N ATOM 590 CA PRO A 280 -13.793 -0.733 -2.785 1.00 0.00 C ATOM 591 C PRO A 280 -13.640 0.526 -1.925 1.00 0.00 C ATOM 592 O PRO A 280 -12.595 0.764 -1.326 1.00 0.00 O ATOM 593 CB PRO A 280 -14.201 -1.949 -1.940 1.00 0.00 C ATOM 594 CG PRO A 280 -12.888 -2.662 -1.636 1.00 0.00 C ATOM 595 CD PRO A 280 -12.028 -2.347 -2.848 1.00 0.00 C ATOM 0 HA PRO A 280 -14.555 -0.477 -3.521 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.708 -1.644 -1.025 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.888 -2.597 -2.484 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.435 -2.294 -0.715 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -13.033 -3.735 -1.514 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.984 -2.229 -2.559 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -12.069 -3.162 -3.571 1.00 0.00 H new ATOM 603 N ASP A 281 -14.719 1.309 -1.819 1.00 0.00 N ATOM 604 CA ASP A 281 -14.791 2.512 -0.971 1.00 0.00 C ATOM 605 C ASP A 281 -14.786 2.195 0.540 1.00 0.00 C ATOM 606 O ASP A 281 -14.583 3.088 1.363 1.00 0.00 O ATOM 607 CB ASP A 281 -16.046 3.320 -1.335 1.00 0.00 C ATOM 608 CG ASP A 281 -15.995 3.875 -2.768 1.00 0.00 C ATOM 609 OD1 ASP A 281 -15.311 4.903 -2.988 1.00 0.00 O ATOM 610 OD2 ASP A 281 -16.658 3.295 -3.662 1.00 0.00 O ATOM 0 H ASP A 281 -15.584 1.124 -2.327 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.891 3.095 -1.167 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -16.926 2.687 -1.225 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.158 4.146 -0.633 1.00 0.00 H new ATOM 615 N ASN A 282 -14.958 0.921 0.898 1.00 0.00 N ATOM 616 CA ASN A 282 -14.950 0.391 2.266 1.00 0.00 C ATOM 617 C ASN A 282 -13.807 -0.627 2.481 1.00 0.00 C ATOM 618 O ASN A 282 -13.903 -1.515 3.332 1.00 0.00 O ATOM 619 CB ASN A 282 -16.344 -0.183 2.581 1.00 0.00 C ATOM 620 CG ASN A 282 -17.414 0.906 2.614 1.00 0.00 C ATOM 621 OD1 ASN A 282 -17.449 1.741 3.512 1.00 0.00 O ATOM 622 ND2 ASN A 282 -18.320 0.931 1.652 1.00 0.00 N ATOM 0 H ASN A 282 -15.115 0.190 0.204 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.745 1.195 2.973 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.608 -0.928 1.831 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.317 -0.695 3.543 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -19.049 1.645 1.656 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -18.291 0.237 0.906 1.00 0.00 H new ATOM 629 N TRP A 283 -12.720 -0.513 1.703 1.00 0.00 N ATOM 630 CA TRP A 283 -11.480 -1.270 1.903 1.00 0.00 C ATOM 631 C TRP A 283 -10.925 -1.099 3.330 1.00 0.00 C ATOM 632 O TRP A 283 -10.882 0.009 3.861 1.00 0.00 O ATOM 633 CB TRP A 283 -10.434 -0.834 0.866 1.00 0.00 C ATOM 634 CG TRP A 283 -9.244 -1.730 0.835 1.00 0.00 C ATOM 635 CD1 TRP A 283 -9.073 -2.782 0.004 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.097 -1.728 1.736 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.915 -3.453 0.350 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.289 -2.861 1.430 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.689 -0.910 2.816 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.141 -3.171 2.172 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.550 -1.221 3.574 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.783 -2.350 3.253 1.00 0.00 C ATOM 0 H TRP A 283 -12.680 0.120 0.904 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.707 -2.328 1.770 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.894 -0.815 -0.122 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.112 0.183 1.087 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.736 -3.055 -0.803 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.566 -4.282 -0.132 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.265 -0.030 3.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.540 -4.031 1.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.264 -0.591 4.404 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -4.910 -2.590 3.842 1.00 0.00 H new ATOM 653 N SER A 284 -10.453 -2.181 3.935 1.00 0.00 N ATOM 654 CA SER A 284 -9.893 -2.227 5.293 1.00 0.00 C ATOM 655 C SER A 284 -8.714 -3.206 5.354 1.00 0.00 C ATOM 656 O SER A 284 -8.505 -3.978 4.415 1.00 0.00 O ATOM 657 CB SER A 284 -10.984 -2.641 6.295 1.00 0.00 C ATOM 658 OG SER A 284 -11.484 -3.950 6.025 1.00 0.00 O ATOM 0 H SER A 284 -10.447 -3.093 3.479 1.00 0.00 H new ATOM 0 HA SER A 284 -9.529 -1.234 5.557 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.579 -2.608 7.307 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.804 -1.924 6.256 1.00 0.00 H new ATOM 0 HG SER A 284 -12.174 -4.179 6.683 1.00 0.00 H new ATOM 664 N CYS A 285 -7.963 -3.222 6.462 1.00 0.00 N ATOM 665 CA CYS A 285 -6.840 -4.148 6.659 1.00 0.00 C ATOM 666 C CYS A 285 -7.226 -5.632 6.408 1.00 0.00 C ATOM 667 O CYS A 285 -6.410 -6.416 5.930 1.00 0.00 O ATOM 668 CB CYS A 285 -6.284 -4.013 8.087 1.00 0.00 C ATOM 669 SG CYS A 285 -5.793 -2.322 8.521 1.00 0.00 S ATOM 0 H CYS A 285 -8.117 -2.592 7.249 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.083 -3.873 5.924 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.038 -4.356 8.795 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.422 -4.671 8.196 1.00 0.00 H new ATOM 0 HG CYS A 285 -6.824 -1.535 8.433 1.00 0.00 H new ATOM 674 N ASP A 286 -8.480 -6.013 6.684 1.00 0.00 N ATOM 675 CA ASP A 286 -9.043 -7.352 6.435 1.00 0.00 C ATOM 676 C ASP A 286 -9.128 -7.720 4.935 1.00 0.00 C ATOM 677 O ASP A 286 -9.275 -8.892 4.584 1.00 0.00 O ATOM 678 CB ASP A 286 -10.427 -7.418 7.102 1.00 0.00 C ATOM 679 CG ASP A 286 -11.049 -8.824 7.063 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.535 -9.728 7.764 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.077 -9.010 6.368 1.00 0.00 O ATOM 0 H ASP A 286 -9.158 -5.376 7.102 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.368 -8.091 6.867 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.340 -7.095 8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.097 -6.717 6.605 1.00 0.00 H new ATOM 686 N GLN A 287 -9.000 -6.730 4.048 1.00 0.00 N ATOM 687 CA GLN A 287 -9.057 -6.849 2.590 1.00 0.00 C ATOM 688 C GLN A 287 -7.656 -6.737 1.943 1.00 0.00 C ATOM 689 O GLN A 287 -7.539 -6.596 0.724 1.00 0.00 O ATOM 690 CB GLN A 287 -10.054 -5.796 2.066 1.00 0.00 C ATOM 691 CG GLN A 287 -11.500 -6.115 2.491 1.00 0.00 C ATOM 692 CD GLN A 287 -12.443 -4.930 2.307 1.00 0.00 C ATOM 693 OE1 GLN A 287 -12.927 -4.642 1.220 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.735 -4.188 3.355 1.00 0.00 N ATOM 0 H GLN A 287 -8.845 -5.767 4.347 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.410 -7.841 2.308 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.774 -4.812 2.441 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -9.997 -5.751 0.978 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -11.867 -6.960 1.909 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.508 -6.421 3.537 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.339 -4.416 4.267 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.357 -3.386 3.255 1.00 0.00 H new ATOM 703 N ASN A 288 -6.582 -6.819 2.741 1.00 0.00 N ATOM 704 CA ASN A 288 -5.195 -6.823 2.262 1.00 0.00 C ATOM 705 C ASN A 288 -4.791 -8.160 1.611 1.00 0.00 C ATOM 706 O ASN A 288 -5.312 -9.224 1.966 1.00 0.00 O ATOM 707 CB ASN A 288 -4.251 -6.486 3.429 1.00 0.00 C ATOM 708 CG ASN A 288 -2.912 -5.934 2.951 1.00 0.00 C ATOM 709 OD1 ASN A 288 -2.855 -5.066 2.093 1.00 0.00 O ATOM 710 ND2 ASN A 288 -1.801 -6.436 3.454 1.00 0.00 N ATOM 0 H ASN A 288 -6.656 -6.886 3.756 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.113 -6.064 1.484 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.730 -5.756 4.081 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.080 -7.382 4.025 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -0.895 -6.100 3.127 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -1.847 -7.161 4.170 1.00 0.00 H new ATOM 717 N THR A 289 -3.815 -8.108 0.696 1.00 0.00 N ATOM 718 CA THR A 289 -3.228 -9.286 0.032 1.00 0.00 C ATOM 719 C THR A 289 -2.119 -9.928 0.853 1.00 0.00 C ATOM 720 O THR A 289 -1.909 -11.137 0.763 1.00 0.00 O ATOM 721 CB THR A 289 -2.666 -8.905 -1.341 1.00 0.00 C ATOM 722 OG1 THR A 289 -1.875 -7.740 -1.217 1.00 0.00 O ATOM 723 CG2 THR A 289 -3.781 -8.624 -2.345 1.00 0.00 C ATOM 0 H THR A 289 -3.400 -7.229 0.388 1.00 0.00 H new ATOM 0 HA THR A 289 -4.035 -10.010 -0.076 1.00 0.00 H new ATOM 0 HB THR A 289 -2.072 -9.744 -1.702 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.513 -7.495 -2.094 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.345 -8.357 -3.308 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.399 -9.514 -2.461 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.396 -7.800 -1.984 1.00 0.00 H new ATOM 731 N ASP A 290 -1.425 -9.136 1.667 1.00 0.00 N ATOM 732 CA ASP A 290 -0.250 -9.553 2.427 1.00 0.00 C ATOM 733 C ASP A 290 -0.632 -9.949 3.861 1.00 0.00 C ATOM 734 O ASP A 290 -1.046 -9.110 4.664 1.00 0.00 O ATOM 735 CB ASP A 290 0.808 -8.431 2.392 1.00 0.00 C ATOM 736 CG ASP A 290 2.157 -8.926 1.842 1.00 0.00 C ATOM 737 OD1 ASP A 290 2.622 -10.004 2.280 1.00 0.00 O ATOM 738 OD2 ASP A 290 2.737 -8.242 0.966 1.00 0.00 O ATOM 0 H ASP A 290 -1.672 -8.158 1.820 1.00 0.00 H new ATOM 0 HA ASP A 290 0.183 -10.442 1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.445 -7.609 1.775 1.00 0.00 H new ATOM 0 HB3 ASP A 290 0.950 -8.035 3.398 1.00 0.00 H new ATOM 743 N VAL A 291 -0.471 -11.235 4.183 1.00 0.00 N ATOM 744 CA VAL A 291 -0.893 -11.858 5.462 1.00 0.00 C ATOM 745 C VAL A 291 -0.152 -11.312 6.689 1.00 0.00 C ATOM 746 O VAL A 291 -0.617 -11.448 7.818 1.00 0.00 O ATOM 747 CB VAL A 291 -0.737 -13.397 5.445 1.00 0.00 C ATOM 748 CG1 VAL A 291 -1.591 -14.021 4.332 1.00 0.00 C ATOM 749 CG2 VAL A 291 0.732 -13.837 5.287 1.00 0.00 C ATOM 0 H VAL A 291 -0.031 -11.901 3.548 1.00 0.00 H new ATOM 0 HA VAL A 291 -1.946 -11.592 5.550 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.088 -13.756 6.413 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -1.465 -15.104 4.340 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -2.640 -13.777 4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.275 -13.626 3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 291 0.787 -14.926 5.281 1.00 0.00 H new ATOM 0 HG22 VAL A 291 1.129 -13.448 4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.320 -13.449 6.119 1.00 0.00 H new ATOM 759 N GLN A 292 0.996 -10.674 6.455 1.00 0.00 N ATOM 760 CA GLN A 292 1.802 -9.986 7.461 1.00 0.00 C ATOM 761 C GLN A 292 1.118 -8.729 8.017 1.00 0.00 C ATOM 762 O GLN A 292 1.485 -8.285 9.102 1.00 0.00 O ATOM 763 CB GLN A 292 3.198 -9.676 6.886 1.00 0.00 C ATOM 764 CG GLN A 292 3.223 -9.314 5.391 1.00 0.00 C ATOM 765 CD GLN A 292 4.532 -8.668 4.927 1.00 0.00 C ATOM 766 OE1 GLN A 292 4.550 -7.594 4.340 1.00 0.00 O ATOM 767 NE2 GLN A 292 5.676 -9.283 5.159 1.00 0.00 N ATOM 0 H GLN A 292 1.405 -10.621 5.522 1.00 0.00 H new ATOM 0 HA GLN A 292 1.913 -10.656 8.314 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.631 -8.851 7.451 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.840 -10.543 7.045 1.00 0.00 H new ATOM 0 HG2 GLN A 292 3.049 -10.217 4.806 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.399 -8.633 5.179 1.00 0.00 H new ATOM 0 HE21 GLN A 292 5.684 -10.179 5.647 1.00 0.00 H new ATOM 0 HE22 GLN A 292 6.553 -8.863 4.851 1.00 0.00 H new ATOM 776 N TYR A 293 0.106 -8.191 7.321 1.00 0.00 N ATOM 777 CA TYR A 293 -0.628 -6.977 7.715 1.00 0.00 C ATOM 778 C TYR A 293 -2.133 -7.035 7.369 1.00 0.00 C ATOM 779 O TYR A 293 -2.783 -6.004 7.194 1.00 0.00 O ATOM 780 CB TYR A 293 0.063 -5.738 7.120 1.00 0.00 C ATOM 781 CG TYR A 293 1.494 -5.519 7.575 1.00 0.00 C ATOM 782 CD1 TYR A 293 1.747 -4.811 8.764 1.00 0.00 C ATOM 783 CD2 TYR A 293 2.571 -6.041 6.836 1.00 0.00 C ATOM 784 CE1 TYR A 293 3.065 -4.624 9.217 1.00 0.00 C ATOM 785 CE2 TYR A 293 3.892 -5.874 7.288 1.00 0.00 C ATOM 786 CZ TYR A 293 4.146 -5.160 8.481 1.00 0.00 C ATOM 787 OH TYR A 293 5.422 -4.981 8.922 1.00 0.00 O ATOM 0 H TYR A 293 -0.234 -8.596 6.449 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.596 -6.907 8.802 1.00 0.00 H new ATOM 0 HB2 TYR A 293 0.052 -5.822 6.033 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.523 -4.856 7.377 1.00 0.00 H new ATOM 0 HD1 TYR A 293 0.923 -4.408 9.333 1.00 0.00 H new ATOM 0 HD2 TYR A 293 2.382 -6.573 5.916 1.00 0.00 H new ATOM 0 HE1 TYR A 293 3.251 -4.072 10.126 1.00 0.00 H new ATOM 0 HE2 TYR A 293 4.713 -6.291 6.723 1.00 0.00 H new ATOM 0 HH TYR A 293 6.046 -5.413 8.302 1.00 0.00 H new ATOM 797 N ASN A 294 -2.707 -8.241 7.274 1.00 0.00 N ATOM 798 CA ASN A 294 -4.096 -8.469 6.847 1.00 0.00 C ATOM 799 C ASN A 294 -5.150 -8.347 7.975 1.00 0.00 C ATOM 800 O ASN A 294 -6.248 -8.901 7.868 1.00 0.00 O ATOM 801 CB ASN A 294 -4.204 -9.790 6.067 1.00 0.00 C ATOM 802 CG ASN A 294 -4.168 -11.045 6.943 1.00 0.00 C ATOM 803 OD1 ASN A 294 -3.770 -11.029 8.102 1.00 0.00 O ATOM 804 ND2 ASN A 294 -4.595 -12.177 6.409 1.00 0.00 N ATOM 0 H ASN A 294 -2.210 -9.104 7.496 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.350 -7.649 6.176 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.133 -9.786 5.496 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.387 -9.841 5.347 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -4.593 -13.034 6.962 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -4.927 -12.193 5.445 1.00 0.00 H new ATOM 811 N ARG A 295 -4.810 -7.650 9.067 1.00 0.00 N ATOM 812 CA ARG A 295 -5.663 -7.428 10.239 1.00 0.00 C ATOM 813 C ARG A 295 -5.473 -6.029 10.821 1.00 0.00 C ATOM 814 O ARG A 295 -4.350 -5.559 10.991 1.00 0.00 O ATOM 815 CB ARG A 295 -5.323 -8.459 11.324 1.00 0.00 C ATOM 816 CG ARG A 295 -6.166 -9.732 11.215 1.00 0.00 C ATOM 817 CD ARG A 295 -5.708 -10.724 12.287 1.00 0.00 C ATOM 818 NE ARG A 295 -6.598 -11.896 12.357 1.00 0.00 N ATOM 819 CZ ARG A 295 -6.503 -12.905 13.216 1.00 0.00 C ATOM 820 NH1 ARG A 295 -5.552 -12.960 14.128 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.376 -13.888 13.169 1.00 0.00 N ATOM 0 H ARG A 295 -3.896 -7.208 9.161 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.699 -7.532 9.916 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.267 -8.720 11.253 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.475 -8.011 12.306 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.222 -9.497 11.346 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.058 -10.172 10.224 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -4.691 -11.051 12.070 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -5.683 -10.227 13.257 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.361 -11.937 11.681 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -4.860 -12.213 14.189 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -5.508 -13.750 14.772 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.123 -13.874 12.475 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.306 -14.664 13.827 1.00 0.00 H new ATOM 835 N CYS A 296 -6.582 -5.428 11.244 1.00 0.00 N ATOM 836 CA CYS A 296 -6.647 -4.137 11.931 1.00 0.00 C ATOM 837 C CYS A 296 -5.948 -4.092 13.307 1.00 0.00 C ATOM 838 O CYS A 296 -5.674 -3.015 13.837 1.00 0.00 O ATOM 839 CB CYS A 296 -8.136 -3.810 12.079 1.00 0.00 C ATOM 840 SG CYS A 296 -8.709 -2.894 10.627 1.00 0.00 S ATOM 0 H CYS A 296 -7.503 -5.845 11.112 1.00 0.00 H new ATOM 0 HA CYS A 296 -6.102 -3.404 11.336 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.710 -4.730 12.190 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.300 -3.220 12.981 1.00 0.00 H new ATOM 0 HG CYS A 296 -7.694 -2.605 9.868 1.00 0.00 H new ATOM 845 N ASP A 297 -5.634 -5.259 13.872 1.00 0.00 N ATOM 846 CA ASP A 297 -4.953 -5.415 15.158 1.00 0.00 C ATOM 847 C ASP A 297 -3.424 -5.485 14.975 1.00 0.00 C ATOM 848 O ASP A 297 -2.674 -5.610 15.944 1.00 0.00 O ATOM 849 CB ASP A 297 -5.549 -6.654 15.838 1.00 0.00 C ATOM 850 CG ASP A 297 -5.108 -6.818 17.303 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.394 -5.911 18.123 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.520 -7.873 17.640 1.00 0.00 O ATOM 0 H ASP A 297 -5.855 -6.152 13.431 1.00 0.00 H new ATOM 0 HA ASP A 297 -5.113 -4.549 15.801 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.637 -6.593 15.798 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.259 -7.542 15.277 1.00 0.00 H new ATOM 857 N ILE A 298 -2.957 -5.376 13.724 1.00 0.00 N ATOM 858 CA ILE A 298 -1.542 -5.368 13.348 1.00 0.00 C ATOM 859 C ILE A 298 -1.098 -3.920 13.092 1.00 0.00 C ATOM 860 O ILE A 298 -1.775 -3.212 12.334 1.00 0.00 O ATOM 861 CB ILE A 298 -1.274 -6.257 12.114 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.804 -7.681 12.373 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.228 -6.286 11.804 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.558 -8.677 11.232 1.00 0.00 C ATOM 0 H ILE A 298 -3.578 -5.288 12.920 1.00 0.00 H new ATOM 0 HA ILE A 298 -0.959 -5.786 14.168 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.795 -5.843 11.251 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.339 -8.067 13.280 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -2.876 -7.626 12.563 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.408 -6.915 10.932 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.577 -5.274 11.599 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.769 -6.689 12.660 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -1.965 -9.651 11.505 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -2.047 -8.320 10.326 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.487 -8.769 11.054 1.00 0.00 H new ATOM 876 N PRO A 299 0.039 -3.489 13.667 1.00 0.00 N ATOM 877 CA PRO A 299 0.576 -2.141 13.515 1.00 0.00 C ATOM 878 C PRO A 299 0.944 -1.823 12.061 1.00 0.00 C ATOM 879 O PRO A 299 1.140 -2.723 11.246 1.00 0.00 O ATOM 880 CB PRO A 299 1.798 -2.093 14.435 1.00 0.00 C ATOM 881 CG PRO A 299 2.246 -3.546 14.563 1.00 0.00 C ATOM 882 CD PRO A 299 0.933 -4.312 14.471 1.00 0.00 C ATOM 0 HA PRO A 299 -0.163 -1.386 13.783 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.587 -1.471 14.012 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.545 -1.670 15.407 1.00 0.00 H new ATOM 0 HG2 PRO A 299 2.936 -3.828 13.768 1.00 0.00 H new ATOM 0 HG3 PRO A 299 2.757 -3.730 15.508 1.00 0.00 H new ATOM 0 HD2 PRO A 299 1.083 -5.288 14.010 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.515 -4.488 15.462 1.00 0.00 H new ATOM 890 N GLU A 300 1.035 -0.534 11.728 1.00 0.00 N ATOM 891 CA GLU A 300 1.442 -0.053 10.413 1.00 0.00 C ATOM 892 C GLU A 300 2.913 -0.424 10.114 1.00 0.00 C ATOM 893 O GLU A 300 3.770 -0.319 10.996 1.00 0.00 O ATOM 894 CB GLU A 300 1.226 1.472 10.381 1.00 0.00 C ATOM 895 CG GLU A 300 0.839 1.917 8.976 1.00 0.00 C ATOM 896 CD GLU A 300 0.859 3.439 8.795 1.00 0.00 C ATOM 897 OE1 GLU A 300 1.866 4.098 9.141 1.00 0.00 O ATOM 898 OE2 GLU A 300 -0.147 3.977 8.283 1.00 0.00 O ATOM 0 H GLU A 300 0.822 0.219 12.382 1.00 0.00 H new ATOM 0 HA GLU A 300 0.841 -0.527 9.637 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.444 1.751 11.087 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.136 1.983 10.695 1.00 0.00 H new ATOM 0 HG2 GLU A 300 1.522 1.464 8.258 1.00 0.00 H new ATOM 0 HG3 GLU A 300 -0.159 1.544 8.746 1.00 0.00 H new ATOM 1027 N ARG B 2 -9.046 5.623 1.334 1.00 0.00 N ATOM 1028 CA ARG B 2 -8.119 6.472 0.563 1.00 0.00 C ATOM 1029 C ARG B 2 -7.090 5.616 -0.178 1.00 0.00 C ATOM 1030 O ARG B 2 -6.726 4.525 0.269 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.429 7.518 1.468 1.00 0.00 C ATOM 1032 CG ARG B 2 -7.423 8.951 0.896 1.00 0.00 C ATOM 1033 CD ARG B 2 -6.152 9.325 0.118 1.00 0.00 C ATOM 1034 NE ARG B 2 -6.385 10.407 -0.856 1.00 0.00 N ATOM 1035 CZ ARG B 2 -6.546 11.702 -0.607 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -6.522 12.193 0.615 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -6.738 12.535 -1.607 1.00 0.00 N ATOM 0 HA ARG B 2 -8.702 7.017 -0.179 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -7.929 7.529 2.437 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.400 7.206 1.644 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -8.284 9.069 0.238 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -7.551 9.656 1.717 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -5.377 9.633 0.820 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -5.777 8.445 -0.404 1.00 0.00 H new ATOM 0 HE ARG B 2 -6.428 10.129 -1.836 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -6.376 11.572 1.411 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -6.650 13.194 0.765 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -6.762 12.185 -2.565 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -6.863 13.531 -1.425 1.00 0.00 H new ATOM 1051 N THR B 3 -6.598 6.160 -1.287 1.00 0.00 N ATOM 1052 CA THR B 3 -5.602 5.562 -2.187 1.00 0.00 C ATOM 1053 C THR B 3 -4.526 6.576 -2.535 1.00 0.00 C ATOM 1054 O THR B 3 -4.817 7.748 -2.771 1.00 0.00 O ATOM 1055 CB THR B 3 -6.255 5.039 -3.475 1.00 0.00 C ATOM 1056 OG1 THR B 3 -7.226 5.947 -3.955 1.00 0.00 O ATOM 1057 CG2 THR B 3 -6.922 3.687 -3.237 1.00 0.00 C ATOM 0 H THR B 3 -6.897 7.082 -1.605 1.00 0.00 H new ATOM 0 HA THR B 3 -5.149 4.719 -1.664 1.00 0.00 H new ATOM 0 HB THR B 3 -5.464 4.929 -4.217 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.627 5.593 -4.776 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.377 3.338 -4.164 1.00 0.00 H new ATOM 0 HG22 THR B 3 -6.175 2.966 -2.905 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.691 3.790 -2.472 1.00 0.00 H new