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= 0.463 USER MOD Set 1.2: A 287 GLN : amide:sc= 0.963 K(o=1.4,f=0.9) USER MOD Set 2.1: A 259 CYS SG : rot -176:sc= 1.15 USER MOD Set 2.2: A 264 CYS SG : rot 146:sc= 2.09 USER MOD Set 2.3: A 266 LYS NZ :NH3+ 136:sc= 1.18 (180deg=-0.0353) USER MOD Set 2.4: A 285 CYS SG : rot 61:sc= 2.88 USER MOD Set 2.5: A 296 CYS SG : rot -14:sc= 1.18 USER MOD Single : A 258 GLN : amide:sc= 0.835 K(o=0.83,f=-2.5!) USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : A 263 ASN : amide:sc= -0.0636 X(o=-0.064,f=-0.064) USER MOD Single : A 277 SER OG : rot -29:sc= 0.00638 USER MOD Single : A 282 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 288 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.41) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 292 GLN : amide:sc= 1.1 K(o=1.1,f=-0.26) USER MOD Single : A 293 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.1) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 194 N VAL A 255 1.270 0.363 -4.985 1.00 0.00 N ATOM 195 CA VAL A 255 -0.006 0.954 -4.548 1.00 0.00 C ATOM 196 C VAL A 255 -0.187 0.712 -3.045 1.00 0.00 C ATOM 197 O VAL A 255 -0.081 -0.425 -2.581 1.00 0.00 O ATOM 198 CB VAL A 255 -1.199 0.343 -5.324 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.557 0.903 -4.859 1.00 0.00 C ATOM 200 CG2 VAL A 255 -1.059 0.587 -6.836 1.00 0.00 C ATOM 0 HA VAL A 255 0.018 2.024 -4.753 1.00 0.00 H new ATOM 0 HB VAL A 255 -1.176 -0.726 -5.114 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -3.358 0.441 -5.436 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.698 0.683 -3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.577 1.982 -5.011 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.910 0.147 -7.356 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -1.029 1.659 -7.030 1.00 0.00 H new ATOM 0 HG23 VAL A 255 -0.138 0.128 -7.195 1.00 0.00 H new ATOM 210 N TRP A 256 -0.504 1.772 -2.297 1.00 0.00 N ATOM 211 CA TRP A 256 -0.910 1.692 -0.891 1.00 0.00 C ATOM 212 C TRP A 256 -2.411 1.997 -0.740 1.00 0.00 C ATOM 213 O TRP A 256 -2.960 2.850 -1.441 1.00 0.00 O ATOM 214 CB TRP A 256 -0.111 2.681 -0.035 1.00 0.00 C ATOM 215 CG TRP A 256 1.365 2.504 0.103 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.295 2.994 -0.740 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.110 1.795 1.140 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.555 2.702 -0.268 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.503 1.896 0.847 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.742 1.032 2.268 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.481 1.227 1.598 1.00 0.00 C ATOM 222 CZ3 TRP A 256 2.712 0.324 3.002 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.075 0.417 2.672 1.00 0.00 C ATOM 0 H TRP A 256 -0.485 2.726 -2.657 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.710 0.677 -0.549 1.00 0.00 H new ATOM 0 HB2 TRP A 256 -0.285 3.678 -0.439 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.538 2.665 0.968 1.00 0.00 H new ATOM 0 HD1 TRP A 256 2.084 3.535 -1.650 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.419 3.041 -0.691 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.706 0.991 2.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.528 1.333 1.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.405 -0.299 3.829 1.00 0.00 H new ATOM 0 HH2 TRP A 256 4.809 -0.133 3.243 1.00 0.00 H new ATOM 234 N VAL A 257 -3.047 1.345 0.235 1.00 0.00 N ATOM 235 CA VAL A 257 -4.478 1.498 0.576 1.00 0.00 C ATOM 236 C VAL A 257 -4.647 1.813 2.058 1.00 0.00 C ATOM 237 O VAL A 257 -4.049 1.141 2.895 1.00 0.00 O ATOM 238 CB VAL A 257 -5.295 0.227 0.246 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.740 0.243 -1.214 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.545 -1.082 0.540 1.00 0.00 C ATOM 0 H VAL A 257 -2.571 0.671 0.834 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.855 2.322 -0.030 1.00 0.00 H new ATOM 0 HB VAL A 257 -6.162 0.250 0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.314 -0.658 -1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.361 1.120 -1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.864 0.279 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -5.180 -1.930 0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.632 -1.120 -0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -4.291 -1.126 1.599 1.00 0.00 H new ATOM 250 N GLN A 258 -5.449 2.834 2.380 1.00 0.00 N ATOM 251 CA GLN A 258 -5.721 3.237 3.759 1.00 0.00 C ATOM 252 C GLN A 258 -7.012 2.587 4.275 1.00 0.00 C ATOM 253 O GLN A 258 -8.046 2.619 3.604 1.00 0.00 O ATOM 254 CB GLN A 258 -5.790 4.767 3.874 1.00 0.00 C ATOM 255 CG GLN A 258 -5.802 5.245 5.338 1.00 0.00 C ATOM 256 CD GLN A 258 -5.646 6.762 5.490 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.269 7.561 4.804 1.00 0.00 O ATOM 258 NE2 GLN A 258 -4.823 7.228 6.405 1.00 0.00 N ATOM 0 H GLN A 258 -5.929 3.406 1.685 1.00 0.00 H new ATOM 0 HA GLN A 258 -4.899 2.888 4.384 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -4.936 5.206 3.358 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.687 5.127 3.370 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.737 4.936 5.805 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -4.996 4.749 5.880 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.292 6.582 6.990 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -4.716 8.235 6.529 1.00 0.00 H new ATOM 267 N CYS A 259 -6.942 2.037 5.490 1.00 0.00 N ATOM 268 CA CYS A 259 -8.055 1.425 6.208 1.00 0.00 C ATOM 269 C CYS A 259 -9.266 2.377 6.358 1.00 0.00 C ATOM 270 O CYS A 259 -9.114 3.565 6.664 1.00 0.00 O ATOM 271 CB CYS A 259 -7.504 0.990 7.569 1.00 0.00 C ATOM 272 SG CYS A 259 -8.660 -0.150 8.372 1.00 0.00 S ATOM 0 H CYS A 259 -6.071 2.006 6.019 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.441 0.573 5.648 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.535 0.507 7.441 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.344 1.863 8.201 1.00 0.00 H new ATOM 0 HG CYS A 259 -8.227 -0.439 9.563 1.00 0.00 H new ATOM 277 N SER A 260 -10.476 1.858 6.153 1.00 0.00 N ATOM 278 CA SER A 260 -11.736 2.611 6.247 1.00 0.00 C ATOM 279 C SER A 260 -12.070 3.096 7.669 1.00 0.00 C ATOM 280 O SER A 260 -12.808 4.077 7.817 1.00 0.00 O ATOM 281 CB SER A 260 -12.909 1.777 5.703 1.00 0.00 C ATOM 282 OG SER A 260 -13.030 0.531 6.376 1.00 0.00 O ATOM 0 H SER A 260 -10.616 0.877 5.910 1.00 0.00 H new ATOM 0 HA SER A 260 -11.588 3.502 5.636 1.00 0.00 H new ATOM 0 HB2 SER A 260 -13.836 2.340 5.812 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.766 1.601 4.637 1.00 0.00 H new ATOM 0 HG SER A 260 -13.786 0.031 6.004 1.00 0.00 H new ATOM 288 N PHE A 261 -11.523 2.463 8.718 1.00 0.00 N ATOM 289 CA PHE A 261 -11.756 2.879 10.099 1.00 0.00 C ATOM 290 C PHE A 261 -10.883 4.083 10.497 1.00 0.00 C ATOM 291 O PHE A 261 -9.669 4.066 10.262 1.00 0.00 O ATOM 292 CB PHE A 261 -11.554 1.713 11.072 1.00 0.00 C ATOM 293 CG PHE A 261 -12.517 0.560 10.887 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.855 0.694 11.302 1.00 0.00 C ATOM 295 CD2 PHE A 261 -12.072 -0.653 10.327 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.747 -0.385 11.154 1.00 0.00 C ATOM 297 CE2 PHE A 261 -12.959 -1.732 10.193 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.298 -1.599 10.601 1.00 0.00 C ATOM 0 H PHE A 261 -10.910 1.653 8.628 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.796 3.199 10.162 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.536 1.339 10.963 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.649 2.088 12.091 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -14.197 1.623 11.733 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -11.047 -0.753 10.000 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.776 -0.281 11.465 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.613 -2.666 9.776 1.00 0.00 H new ATOM 0 HZ PHE A 261 -14.982 -2.428 10.490 1.00 0.00 H new ATOM 308 N PRO A 262 -11.471 5.087 11.178 1.00 0.00 N ATOM 309 CA PRO A 262 -10.752 6.241 11.711 1.00 0.00 C ATOM 310 C PRO A 262 -9.850 5.859 12.893 1.00 0.00 C ATOM 311 O PRO A 262 -8.818 6.487 13.116 1.00 0.00 O ATOM 312 CB PRO A 262 -11.857 7.202 12.149 1.00 0.00 C ATOM 313 CG PRO A 262 -13.009 6.287 12.561 1.00 0.00 C ATOM 314 CD PRO A 262 -12.871 5.128 11.585 1.00 0.00 C ATOM 0 HA PRO A 262 -10.081 6.679 10.972 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.532 7.831 12.978 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.149 7.869 11.338 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -12.917 5.959 13.596 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -13.975 6.783 12.468 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.165 4.189 12.055 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.521 5.270 10.722 1.00 0.00 H new ATOM 322 N ASN A 263 -10.214 4.792 13.615 1.00 0.00 N ATOM 323 CA ASN A 263 -9.419 4.188 14.692 1.00 0.00 C ATOM 324 C ASN A 263 -8.130 3.505 14.180 1.00 0.00 C ATOM 325 O ASN A 263 -7.228 3.209 14.968 1.00 0.00 O ATOM 326 CB ASN A 263 -10.283 3.160 15.439 1.00 0.00 C ATOM 327 CG ASN A 263 -11.642 3.711 15.861 1.00 0.00 C ATOM 328 OD1 ASN A 263 -11.749 4.589 16.709 1.00 0.00 O ATOM 329 ND2 ASN A 263 -12.715 3.218 15.265 1.00 0.00 N ATOM 0 H ASN A 263 -11.099 4.309 13.461 1.00 0.00 H new ATOM 0 HA ASN A 263 -9.108 4.993 15.358 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -10.433 2.289 14.801 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -9.746 2.818 16.324 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -13.641 3.569 15.510 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -12.616 2.487 14.560 1.00 0.00 H new ATOM 336 N CYS A 264 -8.054 3.260 12.865 1.00 0.00 N ATOM 337 CA CYS A 264 -6.933 2.633 12.169 1.00 0.00 C ATOM 338 C CYS A 264 -6.143 3.704 11.402 1.00 0.00 C ATOM 339 O CYS A 264 -5.090 4.157 11.861 1.00 0.00 O ATOM 340 CB CYS A 264 -7.492 1.532 11.248 1.00 0.00 C ATOM 341 SG CYS A 264 -6.517 0.008 11.315 1.00 0.00 S ATOM 0 H CYS A 264 -8.813 3.508 12.230 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.238 2.169 12.869 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.521 1.313 11.532 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.516 1.899 10.222 1.00 0.00 H new ATOM 0 HG CYS A 264 -7.303 -1.017 11.166 1.00 0.00 H new ATOM 346 N GLY A 265 -6.651 4.093 10.222 1.00 0.00 N ATOM 347 CA GLY A 265 -5.983 4.982 9.277 1.00 0.00 C ATOM 348 C GLY A 265 -4.665 4.420 8.736 1.00 0.00 C ATOM 349 O GLY A 265 -3.867 5.170 8.175 1.00 0.00 O ATOM 0 H GLY A 265 -7.567 3.784 9.895 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.654 5.181 8.441 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -5.789 5.937 9.764 1.00 0.00 H new ATOM 353 N LYS A 266 -4.419 3.119 8.910 1.00 0.00 N ATOM 354 CA LYS A 266 -3.172 2.463 8.511 1.00 0.00 C ATOM 355 C LYS A 266 -3.099 2.271 6.995 1.00 0.00 C ATOM 356 O LYS A 266 -4.115 1.987 6.358 1.00 0.00 O ATOM 357 CB LYS A 266 -3.044 1.104 9.208 1.00 0.00 C ATOM 358 CG LYS A 266 -2.999 1.218 10.731 1.00 0.00 C ATOM 359 CD LYS A 266 -2.827 -0.191 11.299 1.00 0.00 C ATOM 360 CE LYS A 266 -2.736 -0.171 12.817 1.00 0.00 C ATOM 361 NZ LYS A 266 -4.031 0.224 13.436 1.00 0.00 N ATOM 0 H LYS A 266 -5.091 2.482 9.339 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.347 3.109 8.813 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -3.885 0.473 8.921 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.139 0.606 8.859 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.174 1.859 11.042 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.915 1.673 11.108 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.667 -0.814 10.992 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -1.926 -0.644 10.885 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.445 -1.157 13.178 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -1.956 0.525 13.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -4.236 -0.401 14.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -3.971 1.208 13.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.792 0.142 12.732 1.00 0.00 H new ATOM 375 N TRP A 267 -1.898 2.364 6.425 1.00 0.00 N ATOM 376 CA TRP A 267 -1.642 2.076 5.019 1.00 0.00 C ATOM 377 C TRP A 267 -1.070 0.662 4.883 1.00 0.00 C ATOM 378 O TRP A 267 -0.072 0.333 5.521 1.00 0.00 O ATOM 379 CB TRP A 267 -0.701 3.143 4.447 1.00 0.00 C ATOM 380 CG TRP A 267 -1.274 4.527 4.394 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.202 5.456 5.373 1.00 0.00 C ATOM 382 CD2 TRP A 267 -2.025 5.157 3.311 1.00 0.00 C ATOM 383 NE1 TRP A 267 -1.832 6.615 4.964 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.352 6.492 3.693 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.470 4.725 2.046 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.062 7.361 2.847 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.177 5.587 1.188 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.454 6.909 1.575 1.00 0.00 C ATOM 0 H TRP A 267 -1.063 2.647 6.938 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.568 2.110 4.445 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.208 3.165 5.048 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.410 2.847 3.439 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -0.724 5.314 6.331 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -1.904 7.459 5.533 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.265 3.713 1.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.303 8.363 3.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.509 5.230 0.224 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -3.966 7.576 0.897 1.00 0.00 H new ATOM 399 N ARG A 268 -1.700 -0.172 4.051 1.00 0.00 N ATOM 400 CA ARG A 268 -1.190 -1.498 3.683 1.00 0.00 C ATOM 401 C ARG A 268 -0.757 -1.506 2.213 1.00 0.00 C ATOM 402 O ARG A 268 -1.286 -0.748 1.391 1.00 0.00 O ATOM 403 CB ARG A 268 -2.214 -2.607 3.973 1.00 0.00 C ATOM 404 CG ARG A 268 -2.874 -2.572 5.363 1.00 0.00 C ATOM 405 CD ARG A 268 -1.922 -2.596 6.557 1.00 0.00 C ATOM 406 NE ARG A 268 -2.700 -2.731 7.797 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.226 -2.867 9.022 1.00 0.00 C ATOM 408 NH1 ARG A 268 -0.959 -2.695 9.324 1.00 0.00 N ATOM 409 NH2 ARG A 268 -3.054 -3.172 9.982 1.00 0.00 N ATOM 0 H ARG A 268 -2.590 0.057 3.608 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.318 -1.709 4.303 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -2.999 -2.555 3.219 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.720 -3.571 3.852 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.486 -1.673 5.430 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.549 -3.424 5.444 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -1.222 -3.426 6.462 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.330 -1.681 6.583 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.715 -2.718 7.701 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.291 -2.444 8.595 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.644 -2.812 10.287 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -4.045 -3.300 9.779 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.710 -3.282 10.936 1.00 0.00 H new ATOM 423 N ARG A 269 0.237 -2.345 1.924 1.00 0.00 N ATOM 424 CA ARG A 269 0.990 -2.420 0.668 1.00 0.00 C ATOM 425 C ARG A 269 0.436 -3.528 -0.240 1.00 0.00 C ATOM 426 O ARG A 269 0.271 -4.664 0.209 1.00 0.00 O ATOM 427 CB ARG A 269 2.456 -2.671 1.061 1.00 0.00 C ATOM 428 CG ARG A 269 3.399 -2.836 -0.128 1.00 0.00 C ATOM 429 CD ARG A 269 4.864 -2.807 0.317 1.00 0.00 C ATOM 430 NE ARG A 269 5.763 -3.122 -0.807 1.00 0.00 N ATOM 431 CZ ARG A 269 7.090 -3.148 -0.767 1.00 0.00 C ATOM 432 NH1 ARG A 269 7.759 -2.875 0.334 1.00 0.00 N ATOM 433 NH2 ARG A 269 7.771 -3.457 -1.849 1.00 0.00 N ATOM 0 H ARG A 269 0.560 -3.035 2.602 1.00 0.00 H new ATOM 0 HA ARG A 269 0.903 -1.499 0.092 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.804 -1.840 1.675 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.507 -3.567 1.679 1.00 0.00 H new ATOM 0 HG2 ARG A 269 3.189 -3.778 -0.634 1.00 0.00 H new ATOM 0 HG3 ARG A 269 3.220 -2.040 -0.850 1.00 0.00 H new ATOM 0 HD2 ARG A 269 5.107 -1.823 0.717 1.00 0.00 H new ATOM 0 HD3 ARG A 269 5.018 -3.525 1.123 1.00 0.00 H new ATOM 0 HE ARG A 269 5.324 -3.341 -1.701 1.00 0.00 H new ATOM 0 HH11 ARG A 269 7.258 -2.635 1.189 1.00 0.00 H new ATOM 0 HH12 ARG A 269 8.779 -2.904 0.332 1.00 0.00 H new ATOM 0 HH21 ARG A 269 7.280 -3.676 -2.716 1.00 0.00 H new ATOM 0 HH22 ARG A 269 8.790 -3.478 -1.821 1.00 0.00 H new ATOM 447 N LEU A 270 0.162 -3.202 -1.508 1.00 0.00 N ATOM 448 CA LEU A 270 -0.436 -4.110 -2.502 1.00 0.00 C ATOM 449 C LEU A 270 0.541 -4.487 -3.625 1.00 0.00 C ATOM 450 O LEU A 270 1.567 -3.836 -3.837 1.00 0.00 O ATOM 451 CB LEU A 270 -1.701 -3.468 -3.105 1.00 0.00 C ATOM 452 CG LEU A 270 -2.791 -3.062 -2.099 1.00 0.00 C ATOM 453 CD1 LEU A 270 -3.990 -2.543 -2.896 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.256 -4.209 -1.188 1.00 0.00 C ATOM 0 H LEU A 270 0.354 -2.274 -1.885 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.695 -5.030 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.403 -2.582 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -2.135 -4.167 -3.819 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.365 -2.304 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.783 -2.246 -2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.686 -1.683 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.357 -3.330 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.025 -3.844 -0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.664 -5.015 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.409 -4.583 -0.612 1.00 0.00 H new ATOM 529 N PRO A 276 -5.781 1.087 -7.870 1.00 0.00 N ATOM 530 CA PRO A 276 -6.740 1.700 -6.957 1.00 0.00 C ATOM 531 C PRO A 276 -8.072 2.097 -7.614 1.00 0.00 C ATOM 532 O PRO A 276 -9.044 2.336 -6.902 1.00 0.00 O ATOM 533 CB PRO A 276 -6.007 2.887 -6.328 1.00 0.00 C ATOM 534 CG PRO A 276 -4.973 3.272 -7.379 1.00 0.00 C ATOM 535 CD PRO A 276 -4.600 1.931 -8.002 1.00 0.00 C ATOM 0 HA PRO A 276 -7.057 0.979 -6.203 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.688 3.711 -6.116 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.536 2.612 -5.384 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.385 3.959 -8.118 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -4.109 3.764 -6.933 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.321 2.051 -9.049 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.744 1.488 -7.492 1.00 0.00 H new ATOM 543 N SER A 277 -8.171 2.098 -8.949 1.00 0.00 N ATOM 544 CA SER A 277 -9.437 2.296 -9.670 1.00 0.00 C ATOM 545 C SER A 277 -10.355 1.050 -9.637 1.00 0.00 C ATOM 546 O SER A 277 -11.544 1.163 -9.943 1.00 0.00 O ATOM 547 CB SER A 277 -9.129 2.727 -11.116 1.00 0.00 C ATOM 548 OG SER A 277 -10.245 3.319 -11.774 1.00 0.00 O ATOM 0 H SER A 277 -7.370 1.961 -9.565 1.00 0.00 H new ATOM 0 HA SER A 277 -9.995 3.082 -9.161 1.00 0.00 H new ATOM 0 HB2 SER A 277 -8.301 3.436 -11.109 1.00 0.00 H new ATOM 0 HB3 SER A 277 -8.799 1.858 -11.685 1.00 0.00 H new ATOM 0 HG SER A 277 -11.075 2.944 -11.412 1.00 0.00 H new ATOM 554 N VAL A 278 -9.846 -0.124 -9.220 1.00 0.00 N ATOM 555 CA VAL A 278 -10.621 -1.385 -9.098 1.00 0.00 C ATOM 556 C VAL A 278 -10.729 -1.897 -7.646 1.00 0.00 C ATOM 557 O VAL A 278 -10.946 -3.089 -7.420 1.00 0.00 O ATOM 558 CB VAL A 278 -10.144 -2.485 -10.084 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.251 -2.010 -11.544 1.00 0.00 C ATOM 560 CG2 VAL A 278 -8.718 -2.995 -9.820 1.00 0.00 C ATOM 0 H VAL A 278 -8.868 -0.231 -8.952 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.637 -1.129 -9.397 1.00 0.00 H new ATOM 0 HB VAL A 278 -10.818 -3.324 -9.911 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -9.910 -2.802 -12.210 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.289 -1.766 -11.772 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -9.631 -1.125 -11.685 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.464 -3.761 -10.553 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -8.014 -2.167 -9.902 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -8.663 -3.420 -8.818 1.00 0.00 H new ATOM 570 N LEU A 279 -10.594 -1.004 -6.654 1.00 0.00 N ATOM 571 CA LEU A 279 -10.699 -1.321 -5.220 1.00 0.00 C ATOM 572 C LEU A 279 -11.941 -0.677 -4.558 1.00 0.00 C ATOM 573 O LEU A 279 -12.414 0.364 -5.030 1.00 0.00 O ATOM 574 CB LEU A 279 -9.387 -0.925 -4.510 1.00 0.00 C ATOM 575 CG LEU A 279 -8.187 -1.808 -4.909 1.00 0.00 C ATOM 576 CD1 LEU A 279 -6.904 -1.250 -4.291 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.366 -3.255 -4.413 1.00 0.00 C ATOM 0 H LEU A 279 -10.404 -0.017 -6.830 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.843 -2.396 -5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.157 0.115 -4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.532 -0.987 -3.432 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.126 -1.806 -5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -6.060 -1.878 -4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.739 -0.234 -4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -6.998 -1.240 -3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.503 -3.851 -4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.452 -3.259 -3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.269 -3.680 -4.850 1.00 0.00 H new ATOM 589 N PRO A 280 -12.485 -1.303 -3.491 1.00 0.00 N ATOM 590 CA PRO A 280 -13.756 -0.933 -2.871 1.00 0.00 C ATOM 591 C PRO A 280 -13.655 0.351 -2.040 1.00 0.00 C ATOM 592 O PRO A 280 -12.615 0.657 -1.461 1.00 0.00 O ATOM 593 CB PRO A 280 -14.151 -2.133 -2.001 1.00 0.00 C ATOM 594 CG PRO A 280 -12.818 -2.787 -1.648 1.00 0.00 C ATOM 595 CD PRO A 280 -11.969 -2.522 -2.881 1.00 0.00 C ATOM 0 HA PRO A 280 -14.507 -0.714 -3.630 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.690 -1.818 -1.108 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.802 -2.820 -2.541 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.378 -2.348 -0.753 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -12.930 -3.854 -1.457 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.920 -2.405 -2.610 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -12.027 -3.358 -3.578 1.00 0.00 H new ATOM 603 N ASP A 281 -14.771 1.081 -1.944 1.00 0.00 N ATOM 604 CA ASP A 281 -14.882 2.341 -1.190 1.00 0.00 C ATOM 605 C ASP A 281 -14.845 2.155 0.341 1.00 0.00 C ATOM 606 O ASP A 281 -14.661 3.125 1.077 1.00 0.00 O ATOM 607 CB ASP A 281 -16.174 3.065 -1.597 1.00 0.00 C ATOM 608 CG ASP A 281 -16.154 3.524 -3.064 1.00 0.00 C ATOM 609 OD1 ASP A 281 -15.502 4.556 -3.358 1.00 0.00 O ATOM 610 OD2 ASP A 281 -16.806 2.867 -3.910 1.00 0.00 O ATOM 0 H ASP A 281 -15.643 0.809 -2.397 1.00 0.00 H new ATOM 0 HA ASP A 281 -14.006 2.937 -1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -17.024 2.401 -1.439 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.321 3.930 -0.951 1.00 0.00 H new ATOM 615 N ASN A 282 -14.965 0.913 0.817 1.00 0.00 N ATOM 616 CA ASN A 282 -14.943 0.519 2.232 1.00 0.00 C ATOM 617 C ASN A 282 -13.799 -0.477 2.526 1.00 0.00 C ATOM 618 O ASN A 282 -13.908 -1.316 3.424 1.00 0.00 O ATOM 619 CB ASN A 282 -16.328 -0.035 2.616 1.00 0.00 C ATOM 620 CG ASN A 282 -17.438 1.007 2.490 1.00 0.00 C ATOM 621 OD1 ASN A 282 -17.403 2.064 3.112 1.00 0.00 O ATOM 622 ND2 ASN A 282 -18.463 0.738 1.699 1.00 0.00 N ATOM 0 H ASN A 282 -15.086 0.113 0.196 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.737 1.391 2.852 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.562 -0.888 1.979 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.296 -0.403 3.642 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -19.225 1.409 1.606 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -18.491 -0.141 1.182 1.00 0.00 H new ATOM 629 N TRP A 283 -12.706 -0.407 1.755 1.00 0.00 N ATOM 630 CA TRP A 283 -11.486 -1.189 1.977 1.00 0.00 C ATOM 631 C TRP A 283 -10.946 -1.024 3.413 1.00 0.00 C ATOM 632 O TRP A 283 -10.866 0.086 3.931 1.00 0.00 O ATOM 633 CB TRP A 283 -10.422 -0.791 0.943 1.00 0.00 C ATOM 634 CG TRP A 283 -9.253 -1.719 0.939 1.00 0.00 C ATOM 635 CD1 TRP A 283 -9.087 -2.775 0.111 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.134 -1.756 1.875 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.968 -3.489 0.496 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.365 -2.924 1.601 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.721 -0.950 2.963 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.264 -3.284 2.386 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.625 -1.309 3.761 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.913 -2.483 3.480 1.00 0.00 C ATOM 0 H TRP A 283 -12.645 0.208 0.943 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.733 -2.243 1.853 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.873 -0.775 -0.049 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.077 0.222 1.153 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.729 -3.022 -0.722 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.631 -4.327 0.023 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.261 -0.041 3.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.692 -4.169 2.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.330 -0.682 4.590 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -5.087 -2.772 4.112 1.00 0.00 H new ATOM 653 N SER A 284 -10.533 -2.118 4.046 1.00 0.00 N ATOM 654 CA SER A 284 -9.995 -2.167 5.414 1.00 0.00 C ATOM 655 C SER A 284 -8.848 -3.182 5.506 1.00 0.00 C ATOM 656 O SER A 284 -8.652 -3.971 4.579 1.00 0.00 O ATOM 657 CB SER A 284 -11.110 -2.542 6.404 1.00 0.00 C ATOM 658 OG SER A 284 -11.638 -3.842 6.143 1.00 0.00 O ATOM 0 H SER A 284 -10.563 -3.038 3.606 1.00 0.00 H new ATOM 0 HA SER A 284 -9.607 -1.181 5.670 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.720 -2.506 7.421 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.912 -1.806 6.344 1.00 0.00 H new ATOM 0 HG SER A 284 -12.343 -4.045 6.793 1.00 0.00 H new ATOM 664 N CYS A 285 -8.113 -3.212 6.626 1.00 0.00 N ATOM 665 CA CYS A 285 -7.026 -4.180 6.839 1.00 0.00 C ATOM 666 C CYS A 285 -7.473 -5.647 6.596 1.00 0.00 C ATOM 667 O CYS A 285 -6.685 -6.470 6.132 1.00 0.00 O ATOM 668 CB CYS A 285 -6.464 -4.065 8.267 1.00 0.00 C ATOM 669 SG CYS A 285 -5.835 -2.416 8.688 1.00 0.00 S ATOM 0 H CYS A 285 -8.253 -2.570 7.406 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.255 -3.933 6.109 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.246 -4.335 8.976 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.660 -4.790 8.388 1.00 0.00 H new ATOM 0 HG CYS A 285 -6.798 -1.547 8.594 1.00 0.00 H new ATOM 674 N ASP A 286 -8.744 -5.975 6.862 1.00 0.00 N ATOM 675 CA ASP A 286 -9.352 -7.295 6.622 1.00 0.00 C ATOM 676 C ASP A 286 -9.448 -7.675 5.126 1.00 0.00 C ATOM 677 O ASP A 286 -9.654 -8.841 4.787 1.00 0.00 O ATOM 678 CB ASP A 286 -10.736 -7.313 7.291 1.00 0.00 C ATOM 679 CG ASP A 286 -11.401 -8.700 7.275 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.901 -9.615 7.972 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.445 -8.860 6.597 1.00 0.00 O ATOM 0 H ASP A 286 -9.402 -5.307 7.264 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.701 -8.052 7.059 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.637 -6.977 8.323 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.386 -6.600 6.784 1.00 0.00 H new ATOM 686 N GLN A 287 -9.262 -6.704 4.227 1.00 0.00 N ATOM 687 CA GLN A 287 -9.304 -6.840 2.768 1.00 0.00 C ATOM 688 C GLN A 287 -7.890 -6.803 2.143 1.00 0.00 C ATOM 689 O GLN A 287 -7.747 -6.672 0.925 1.00 0.00 O ATOM 690 CB GLN A 287 -10.240 -5.746 2.211 1.00 0.00 C ATOM 691 CG GLN A 287 -11.707 -6.008 2.596 1.00 0.00 C ATOM 692 CD GLN A 287 -12.597 -4.781 2.413 1.00 0.00 C ATOM 693 OE1 GLN A 287 -13.059 -4.466 1.324 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.867 -4.036 3.465 1.00 0.00 N ATOM 0 H GLN A 287 -9.067 -5.745 4.515 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.703 -7.817 2.495 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.931 -4.773 2.592 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -10.149 -5.706 1.126 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -12.096 -6.826 1.990 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.752 -6.332 3.636 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.489 -4.287 4.378 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.455 -3.208 3.366 1.00 0.00 H new ATOM 703 N ASN A 288 -6.832 -6.931 2.955 1.00 0.00 N ATOM 704 CA ASN A 288 -5.440 -6.945 2.497 1.00 0.00 C ATOM 705 C ASN A 288 -5.036 -8.250 1.790 1.00 0.00 C ATOM 706 O ASN A 288 -5.526 -9.335 2.120 1.00 0.00 O ATOM 707 CB ASN A 288 -4.503 -6.673 3.686 1.00 0.00 C ATOM 708 CG ASN A 288 -3.129 -6.194 3.231 1.00 0.00 C ATOM 709 OD1 ASN A 288 -3.003 -5.373 2.335 1.00 0.00 O ATOM 710 ND2 ASN A 288 -2.058 -6.723 3.791 1.00 0.00 N ATOM 0 H ASN A 288 -6.923 -7.029 3.966 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.347 -6.156 1.751 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.952 -5.923 4.337 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.393 -7.583 4.277 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -1.128 -6.446 3.476 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -2.160 -7.409 4.539 1.00 0.00 H new ATOM 717 N THR A 289 -4.085 -8.140 0.852 1.00 0.00 N ATOM 718 CA THR A 289 -3.482 -9.274 0.134 1.00 0.00 C ATOM 719 C THR A 289 -2.396 -9.986 0.936 1.00 0.00 C ATOM 720 O THR A 289 -2.132 -11.158 0.673 1.00 0.00 O ATOM 721 CB THR A 289 -2.905 -8.813 -1.209 1.00 0.00 C ATOM 722 OG1 THR A 289 -2.052 -7.709 -0.991 1.00 0.00 O ATOM 723 CG2 THR A 289 -4.010 -8.384 -2.175 1.00 0.00 C ATOM 0 H THR A 289 -3.704 -7.239 0.564 1.00 0.00 H new ATOM 0 HA THR A 289 -4.286 -9.991 -0.029 1.00 0.00 H new ATOM 0 HB THR A 289 -2.361 -9.650 -1.647 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.678 -7.410 -1.846 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.565 -8.063 -3.117 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.680 -9.224 -2.358 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.573 -7.558 -1.740 1.00 0.00 H new ATOM 731 N ASP A 290 -1.791 -9.319 1.925 1.00 0.00 N ATOM 732 CA ASP A 290 -0.697 -9.862 2.735 1.00 0.00 C ATOM 733 C ASP A 290 -1.160 -10.273 4.139 1.00 0.00 C ATOM 734 O ASP A 290 -1.627 -9.440 4.917 1.00 0.00 O ATOM 735 CB ASP A 290 0.458 -8.847 2.848 1.00 0.00 C ATOM 736 CG ASP A 290 1.839 -9.520 2.842 1.00 0.00 C ATOM 737 OD1 ASP A 290 1.925 -10.744 3.094 1.00 0.00 O ATOM 738 OD2 ASP A 290 2.842 -8.802 2.630 1.00 0.00 O ATOM 0 H ASP A 290 -2.053 -8.369 2.189 1.00 0.00 H new ATOM 0 HA ASP A 290 -0.345 -10.757 2.223 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.399 -8.141 2.020 1.00 0.00 H new ATOM 0 HB3 ASP A 290 0.342 -8.271 3.766 1.00 0.00 H new ATOM 743 N VAL A 291 -0.982 -11.551 4.477 1.00 0.00 N ATOM 744 CA VAL A 291 -1.460 -12.148 5.744 1.00 0.00 C ATOM 745 C VAL A 291 -0.715 -11.632 6.982 1.00 0.00 C ATOM 746 O VAL A 291 -1.224 -11.729 8.097 1.00 0.00 O ATOM 747 CB VAL A 291 -1.398 -13.694 5.733 1.00 0.00 C ATOM 748 CG1 VAL A 291 -2.251 -14.261 4.589 1.00 0.00 C ATOM 749 CG2 VAL A 291 0.043 -14.228 5.625 1.00 0.00 C ATOM 0 H VAL A 291 -0.496 -12.217 3.876 1.00 0.00 H new ATOM 0 HA VAL A 291 -2.500 -11.830 5.813 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.800 -14.029 6.689 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -2.194 -15.349 4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -3.288 -13.950 4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.877 -13.886 3.636 1.00 0.00 H new ATOM 0 HG21 VAL A 291 0.028 -15.318 5.622 1.00 0.00 H new ATOM 0 HG22 VAL A 291 0.496 -13.868 4.701 1.00 0.00 H new ATOM 0 HG23 VAL A 291 0.626 -13.876 6.476 1.00 0.00 H new ATOM 759 N GLN A 292 0.477 -11.059 6.787 1.00 0.00 N ATOM 760 CA GLN A 292 1.267 -10.444 7.858 1.00 0.00 C ATOM 761 C GLN A 292 0.708 -9.104 8.344 1.00 0.00 C ATOM 762 O GLN A 292 1.083 -8.657 9.425 1.00 0.00 O ATOM 763 CB GLN A 292 2.752 -10.334 7.477 1.00 0.00 C ATOM 764 CG GLN A 292 3.078 -10.067 6.003 1.00 0.00 C ATOM 765 CD GLN A 292 4.534 -9.646 5.760 1.00 0.00 C ATOM 766 OE1 GLN A 292 5.426 -9.821 6.583 1.00 0.00 O ATOM 767 NE2 GLN A 292 4.842 -9.074 4.616 1.00 0.00 N ATOM 0 H GLN A 292 0.925 -11.009 5.872 1.00 0.00 H new ATOM 0 HA GLN A 292 1.187 -11.122 8.708 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.195 -9.535 8.071 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.246 -11.261 7.770 1.00 0.00 H new ATOM 0 HG2 GLN A 292 2.868 -10.967 5.425 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.416 -9.286 5.629 1.00 0.00 H new ATOM 0 HE21 GLN A 292 4.119 -8.917 3.914 1.00 0.00 H new ATOM 0 HE22 GLN A 292 5.804 -8.788 4.431 1.00 0.00 H new ATOM 776 N TYR A 293 -0.211 -8.489 7.590 1.00 0.00 N ATOM 777 CA TYR A 293 -0.857 -7.212 7.936 1.00 0.00 C ATOM 778 C TYR A 293 -2.364 -7.187 7.594 1.00 0.00 C ATOM 779 O TYR A 293 -2.941 -6.128 7.346 1.00 0.00 O ATOM 780 CB TYR A 293 -0.078 -6.045 7.305 1.00 0.00 C ATOM 781 CG TYR A 293 1.368 -5.906 7.751 1.00 0.00 C ATOM 782 CD1 TYR A 293 2.402 -6.602 7.091 1.00 0.00 C ATOM 783 CD2 TYR A 293 1.683 -5.068 8.838 1.00 0.00 C ATOM 784 CE1 TYR A 293 3.738 -6.446 7.503 1.00 0.00 C ATOM 785 CE2 TYR A 293 3.017 -4.901 9.252 1.00 0.00 C ATOM 786 CZ TYR A 293 4.053 -5.591 8.582 1.00 0.00 C ATOM 787 OH TYR A 293 5.347 -5.447 8.984 1.00 0.00 O ATOM 0 H TYR A 293 -0.535 -8.872 6.702 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.820 -7.096 9.019 1.00 0.00 H new ATOM 0 HB2 TYR A 293 -0.096 -6.163 6.222 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.601 -5.116 7.533 1.00 0.00 H new ATOM 0 HD1 TYR A 293 2.167 -7.258 6.266 1.00 0.00 H new ATOM 0 HD2 TYR A 293 0.893 -4.548 9.359 1.00 0.00 H new ATOM 0 HE1 TYR A 293 4.525 -6.982 6.993 1.00 0.00 H new ATOM 0 HE2 TYR A 293 3.249 -4.247 10.080 1.00 0.00 H new ATOM 0 HH TYR A 293 5.388 -4.822 9.738 1.00 0.00 H new ATOM 797 N ASN A 294 -3.018 -8.355 7.587 1.00 0.00 N ATOM 798 CA ASN A 294 -4.429 -8.522 7.207 1.00 0.00 C ATOM 799 C ASN A 294 -5.443 -8.270 8.351 1.00 0.00 C ATOM 800 O ASN A 294 -6.589 -8.724 8.283 1.00 0.00 O ATOM 801 CB ASN A 294 -4.642 -9.879 6.516 1.00 0.00 C ATOM 802 CG ASN A 294 -4.645 -11.084 7.462 1.00 0.00 C ATOM 803 OD1 ASN A 294 -4.268 -11.009 8.625 1.00 0.00 O ATOM 804 ND2 ASN A 294 -5.087 -12.234 6.985 1.00 0.00 N ATOM 0 H ASN A 294 -2.571 -9.233 7.852 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.647 -7.729 6.491 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.590 -9.853 5.979 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.858 -10.020 5.772 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -5.114 -13.058 7.585 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -5.401 -12.297 6.017 1.00 0.00 H new ATOM 811 N ARG A 295 -5.018 -7.577 9.417 1.00 0.00 N ATOM 812 CA ARG A 295 -5.826 -7.253 10.598 1.00 0.00 C ATOM 813 C ARG A 295 -5.541 -5.849 11.123 1.00 0.00 C ATOM 814 O ARG A 295 -4.388 -5.446 11.265 1.00 0.00 O ATOM 815 CB ARG A 295 -5.531 -8.254 11.722 1.00 0.00 C ATOM 816 CG ARG A 295 -6.458 -9.473 11.692 1.00 0.00 C ATOM 817 CD ARG A 295 -6.055 -10.431 12.816 1.00 0.00 C ATOM 818 NE ARG A 295 -7.027 -11.528 12.965 1.00 0.00 N ATOM 819 CZ ARG A 295 -7.019 -12.463 13.909 1.00 0.00 C ATOM 820 NH1 ARG A 295 -6.089 -12.507 14.843 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.961 -13.381 13.929 1.00 0.00 N ATOM 0 H ARG A 295 -4.067 -7.214 9.481 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.871 -7.305 10.292 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.497 -8.588 11.642 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.630 -7.752 12.684 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.495 -9.161 11.816 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.390 -9.975 10.727 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -5.068 -10.844 12.607 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -5.979 -9.881 13.754 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.779 -11.574 12.277 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -5.345 -11.809 14.856 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -6.113 -13.239 15.553 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.695 -13.374 13.221 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.957 -14.100 14.653 1.00 0.00 H new ATOM 835 N CYS A 296 -6.603 -5.168 11.536 1.00 0.00 N ATOM 836 CA CYS A 296 -6.594 -3.852 12.170 1.00 0.00 C ATOM 837 C CYS A 296 -5.837 -3.766 13.512 1.00 0.00 C ATOM 838 O CYS A 296 -5.470 -2.676 13.956 1.00 0.00 O ATOM 839 CB CYS A 296 -8.065 -3.490 12.368 1.00 0.00 C ATOM 840 SG CYS A 296 -8.750 -2.827 10.830 1.00 0.00 S ATOM 0 H CYS A 296 -7.548 -5.539 11.432 1.00 0.00 H new ATOM 0 HA CYS A 296 -6.050 -3.160 11.527 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.627 -4.372 12.676 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.163 -2.755 13.167 1.00 0.00 H new ATOM 0 HG CYS A 296 -7.781 -2.535 10.014 1.00 0.00 H new ATOM 845 N ASP A 297 -5.580 -4.911 14.144 1.00 0.00 N ATOM 846 CA ASP A 297 -4.878 -5.026 15.423 1.00 0.00 C ATOM 847 C ASP A 297 -3.363 -5.213 15.212 1.00 0.00 C ATOM 848 O ASP A 297 -2.595 -5.315 16.170 1.00 0.00 O ATOM 849 CB ASP A 297 -5.539 -6.170 16.201 1.00 0.00 C ATOM 850 CG ASP A 297 -5.074 -6.262 17.665 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.280 -5.285 18.424 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.547 -7.328 18.063 1.00 0.00 O ATOM 0 H ASP A 297 -5.864 -5.815 13.767 1.00 0.00 H new ATOM 0 HA ASP A 297 -4.962 -4.110 16.008 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.621 -6.037 16.179 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.323 -7.113 15.699 1.00 0.00 H new ATOM 857 N ILE A 298 -2.926 -5.226 13.946 1.00 0.00 N ATOM 858 CA ILE A 298 -1.524 -5.318 13.539 1.00 0.00 C ATOM 859 C ILE A 298 -1.006 -3.908 13.217 1.00 0.00 C ATOM 860 O ILE A 298 -1.669 -3.186 12.460 1.00 0.00 O ATOM 861 CB ILE A 298 -1.342 -6.268 12.334 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.945 -7.647 12.671 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.146 -6.388 11.984 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.785 -8.709 11.577 1.00 0.00 C ATOM 0 H ILE A 298 -3.564 -5.171 13.152 1.00 0.00 H new ATOM 0 HA ILE A 298 -0.943 -5.740 14.359 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.863 -5.865 11.465 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.481 -8.016 13.585 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -3.007 -7.521 12.881 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.267 -7.059 11.134 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.540 -5.404 11.729 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.690 -6.786 12.840 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -2.240 -9.643 11.907 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -2.275 -8.369 10.665 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.725 -8.872 11.380 1.00 0.00 H new ATOM 876 N PRO A 299 0.170 -3.524 13.743 1.00 0.00 N ATOM 877 CA PRO A 299 0.762 -2.205 13.549 1.00 0.00 C ATOM 878 C PRO A 299 1.089 -1.914 12.079 1.00 0.00 C ATOM 879 O PRO A 299 1.222 -2.824 11.263 1.00 0.00 O ATOM 880 CB PRO A 299 2.018 -2.203 14.425 1.00 0.00 C ATOM 881 CG PRO A 299 2.396 -3.673 14.573 1.00 0.00 C ATOM 882 CD PRO A 299 1.040 -4.367 14.551 1.00 0.00 C ATOM 0 HA PRO A 299 0.066 -1.414 13.830 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.823 -1.633 13.960 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.822 -1.746 15.395 1.00 0.00 H new ATOM 0 HG2 PRO A 299 3.038 -4.011 13.759 1.00 0.00 H new ATOM 0 HG3 PRO A 299 2.933 -3.862 15.502 1.00 0.00 H new ATOM 0 HD2 PRO A 299 1.120 -5.367 14.124 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.644 -4.482 15.560 1.00 0.00 H new ATOM 890 N GLU A 300 1.217 -0.628 11.743 1.00 0.00 N ATOM 891 CA GLU A 300 1.646 -0.146 10.425 1.00 0.00 C ATOM 892 C GLU A 300 3.110 -0.568 10.131 1.00 0.00 C ATOM 893 O GLU A 300 3.916 -0.774 11.044 1.00 0.00 O ATOM 894 CB GLU A 300 1.413 1.381 10.395 1.00 0.00 C ATOM 895 CG GLU A 300 0.949 1.957 9.051 1.00 0.00 C ATOM 896 CD GLU A 300 2.079 2.196 8.038 1.00 0.00 C ATOM 897 OE1 GLU A 300 2.371 1.261 7.261 1.00 0.00 O ATOM 898 OE2 GLU A 300 2.632 3.322 7.995 1.00 0.00 O ATOM 0 H GLU A 300 1.020 0.129 12.398 1.00 0.00 H new ATOM 0 HA GLU A 300 1.063 -0.598 9.622 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.670 1.632 11.153 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.340 1.877 10.681 1.00 0.00 H new ATOM 0 HG2 GLU A 300 0.221 1.277 8.610 1.00 0.00 H new ATOM 0 HG3 GLU A 300 0.435 2.901 9.232 1.00 0.00 H new ATOM 1027 N ARG B 2 -9.166 5.763 1.170 1.00 0.00 N ATOM 1028 CA ARG B 2 -8.012 6.498 0.624 1.00 0.00 C ATOM 1029 C ARG B 2 -7.021 5.551 -0.061 1.00 0.00 C ATOM 1030 O ARG B 2 -6.844 4.397 0.342 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.281 7.299 1.716 1.00 0.00 C ATOM 1032 CG ARG B 2 -7.519 8.814 1.684 1.00 0.00 C ATOM 1033 CD ARG B 2 -6.810 9.514 0.518 1.00 0.00 C ATOM 1034 NE ARG B 2 -7.000 10.972 0.591 1.00 0.00 N ATOM 1035 CZ ARG B 2 -6.409 11.887 -0.169 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -5.559 11.562 -1.123 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -6.671 13.161 0.025 1.00 0.00 N ATOM 0 HA ARG B 2 -8.407 7.195 -0.115 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -7.589 6.919 2.690 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.211 7.113 1.625 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -8.590 9.005 1.617 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -7.176 9.249 2.623 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -5.746 9.280 0.540 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -7.199 9.139 -0.428 1.00 0.00 H new ATOM 0 HE ARG B 2 -7.652 11.314 1.297 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -5.337 10.582 -1.296 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -5.123 12.291 -1.688 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -7.325 13.442 0.756 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -6.220 13.868 -0.555 1.00 0.00 H new ATOM 1051 N THR B 3 -6.338 6.101 -1.060 1.00 0.00 N ATOM 1052 CA THR B 3 -5.391 5.437 -1.962 1.00 0.00 C ATOM 1053 C THR B 3 -4.261 6.394 -2.313 1.00 0.00 C ATOM 1054 O THR B 3 -4.459 7.607 -2.408 1.00 0.00 O ATOM 1055 CB THR B 3 -6.093 4.955 -3.244 1.00 0.00 C ATOM 1056 OG1 THR B 3 -6.977 5.948 -3.722 1.00 0.00 O ATOM 1057 CG2 THR B 3 -6.881 3.669 -2.995 1.00 0.00 C ATOM 0 H THR B 3 -6.436 7.092 -1.280 1.00 0.00 H new ATOM 0 HA THR B 3 -4.983 4.564 -1.452 1.00 0.00 H new ATOM 0 HB THR B 3 -5.320 4.758 -3.986 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.416 5.630 -4.538 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.365 3.354 -3.919 1.00 0.00 H new ATOM 0 HG22 THR B 3 -6.202 2.886 -2.656 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.638 3.848 -2.232 1.00 0.00 H new