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= 0.442 USER MOD Set 1.2: A 287 GLN : amide:sc= 0.905 K(o=1.3,f=0.83) USER MOD Set 2.1: A 259 CYS SG : rot -175:sc= 1.12 USER MOD Set 2.2: A 264 CYS SG : rot 149:sc= 2.24 USER MOD Set 2.3: A 266 LYS NZ :NH3+ 126:sc= 1.42 (180deg=-0.111) USER MOD Set 2.4: A 285 CYS SG : rot 60:sc= 2.78 USER MOD Set 2.5: A 296 CYS SG : rot -9:sc= 1.34 USER MOD Single : A 258 GLN : amide:sc= 0.66 K(o=0.66,f=-0.61) USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : A 263 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.71) USER MOD Single : A 277 SER OG : rot -41:sc= 0.00641 USER MOD Single : A 282 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 288 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.51) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0.00964 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= -0.26 K(o=-0.26,f=-1.1) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 194 N VAL A 255 1.731 0.688 -4.887 1.00 0.00 N ATOM 195 CA VAL A 255 0.354 1.086 -4.554 1.00 0.00 C ATOM 196 C VAL A 255 0.087 0.814 -3.072 1.00 0.00 C ATOM 197 O VAL A 255 0.341 -0.286 -2.578 1.00 0.00 O ATOM 198 CB VAL A 255 -0.678 0.352 -5.443 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.107 0.869 -5.200 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.332 0.521 -6.933 1.00 0.00 C ATOM 0 HA VAL A 255 0.245 2.153 -4.748 1.00 0.00 H new ATOM 0 HB VAL A 255 -0.636 -0.703 -5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -2.803 0.330 -5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.379 0.710 -4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.153 1.934 -5.429 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.071 -0.003 -7.540 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.337 1.580 -7.190 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.657 0.106 -7.126 1.00 0.00 H new ATOM 210 N TRP A 256 -0.441 1.823 -2.378 1.00 0.00 N ATOM 211 CA TRP A 256 -0.763 1.785 -0.952 1.00 0.00 C ATOM 212 C TRP A 256 -2.245 2.131 -0.723 1.00 0.00 C ATOM 213 O TRP A 256 -2.776 3.066 -1.327 1.00 0.00 O ATOM 214 CB TRP A 256 0.137 2.779 -0.202 1.00 0.00 C ATOM 215 CG TRP A 256 1.598 2.463 -0.081 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.542 2.718 -1.014 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.314 1.871 1.049 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.786 2.391 -0.518 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.709 1.867 0.750 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.927 1.318 2.289 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.676 1.373 1.637 1.00 0.00 C ATOM 222 CZ3 TRP A 256 2.884 0.773 3.167 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.254 0.811 2.852 1.00 0.00 C ATOM 0 H TRP A 256 -0.664 2.720 -2.809 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.587 0.778 -0.573 1.00 0.00 H new ATOM 0 HB2 TRP A 256 0.046 3.747 -0.694 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.263 2.895 0.805 1.00 0.00 H new ATOM 0 HD1 TRP A 256 2.351 3.117 -1.999 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.658 2.522 -1.030 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.884 1.313 2.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.726 1.424 1.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.562 0.321 4.093 1.00 0.00 H new ATOM 0 HH2 TRP A 256 4.980 0.409 3.543 1.00 0.00 H new ATOM 234 N VAL A 257 -2.892 1.398 0.185 1.00 0.00 N ATOM 235 CA VAL A 257 -4.329 1.518 0.517 1.00 0.00 C ATOM 236 C VAL A 257 -4.525 1.867 1.986 1.00 0.00 C ATOM 237 O VAL A 257 -3.934 1.222 2.850 1.00 0.00 O ATOM 238 CB VAL A 257 -5.116 0.217 0.229 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.607 0.194 -1.214 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.312 -1.061 0.517 1.00 0.00 C ATOM 0 H VAL A 257 -2.422 0.678 0.733 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.713 2.314 -0.121 1.00 0.00 H new ATOM 0 HB VAL A 257 -5.964 0.224 0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.158 -0.729 -1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.261 1.048 -1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.753 0.246 -1.890 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -4.925 -1.934 0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.417 -1.076 -0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -4.023 -1.080 1.568 1.00 0.00 H new ATOM 250 N GLN A 258 -5.359 2.873 2.262 1.00 0.00 N ATOM 251 CA GLN A 258 -5.688 3.301 3.619 1.00 0.00 C ATOM 252 C GLN A 258 -6.948 2.592 4.131 1.00 0.00 C ATOM 253 O GLN A 258 -7.981 2.575 3.454 1.00 0.00 O ATOM 254 CB GLN A 258 -5.851 4.827 3.678 1.00 0.00 C ATOM 255 CG GLN A 258 -5.912 5.334 5.128 1.00 0.00 C ATOM 256 CD GLN A 258 -5.819 6.858 5.239 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.440 7.612 4.499 1.00 0.00 O ATOM 258 NE2 GLN A 258 -5.046 7.375 6.173 1.00 0.00 N ATOM 0 H GLN A 258 -5.829 3.418 1.539 1.00 0.00 H new ATOM 0 HA GLN A 258 -4.863 3.021 4.274 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -5.018 5.303 3.160 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.761 5.117 3.152 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.844 4.999 5.584 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.099 4.884 5.698 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.522 6.763 6.798 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -4.972 8.388 6.271 1.00 0.00 H new ATOM 267 N CYS A 259 -6.858 2.050 5.348 1.00 0.00 N ATOM 268 CA CYS A 259 -7.951 1.418 6.079 1.00 0.00 C ATOM 269 C CYS A 259 -9.191 2.336 6.202 1.00 0.00 C ATOM 270 O CYS A 259 -9.080 3.533 6.488 1.00 0.00 O ATOM 271 CB CYS A 259 -7.404 1.031 7.457 1.00 0.00 C ATOM 272 SG CYS A 259 -8.558 -0.105 8.269 1.00 0.00 S ATOM 0 H CYS A 259 -5.982 2.041 5.870 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.298 0.539 5.536 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.427 0.560 7.353 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.265 1.923 8.068 1.00 0.00 H new ATOM 0 HG CYS A 259 -8.142 -0.358 9.474 1.00 0.00 H new ATOM 277 N SER A 260 -10.380 1.775 5.989 1.00 0.00 N ATOM 278 CA SER A 260 -11.662 2.492 6.057 1.00 0.00 C ATOM 279 C SER A 260 -12.030 2.990 7.467 1.00 0.00 C ATOM 280 O SER A 260 -12.800 3.949 7.589 1.00 0.00 O ATOM 281 CB SER A 260 -12.806 1.623 5.510 1.00 0.00 C ATOM 282 OG SER A 260 -12.898 0.389 6.208 1.00 0.00 O ATOM 0 H SER A 260 -10.486 0.787 5.759 1.00 0.00 H new ATOM 0 HA SER A 260 -11.527 3.376 5.434 1.00 0.00 H new ATOM 0 HB2 SER A 260 -13.749 2.163 5.597 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.645 1.432 4.449 1.00 0.00 H new ATOM 0 HG SER A 260 -13.635 -0.141 5.839 1.00 0.00 H new ATOM 288 N PHE A 261 -11.477 2.394 8.533 1.00 0.00 N ATOM 289 CA PHE A 261 -11.723 2.836 9.904 1.00 0.00 C ATOM 290 C PHE A 261 -10.884 4.073 10.272 1.00 0.00 C ATOM 291 O PHE A 261 -9.671 4.086 10.034 1.00 0.00 O ATOM 292 CB PHE A 261 -11.477 1.694 10.891 1.00 0.00 C ATOM 293 CG PHE A 261 -12.439 0.536 10.760 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.757 0.666 11.234 1.00 0.00 C ATOM 295 CD2 PHE A 261 -12.014 -0.676 10.183 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.651 -0.415 11.126 1.00 0.00 C ATOM 297 CE2 PHE A 261 -12.902 -1.759 10.089 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.223 -1.628 10.555 1.00 0.00 C ATOM 0 H PHE A 261 -10.848 1.594 8.464 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.771 3.130 9.968 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.461 1.324 10.753 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.538 2.088 11.906 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -14.082 1.594 11.680 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -11.004 -0.772 9.813 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.666 -0.314 11.481 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.571 -2.693 9.659 1.00 0.00 H new ATOM 0 HZ PHE A 261 -14.909 -2.458 10.475 1.00 0.00 H new ATOM 308 N PRO A 262 -11.503 5.084 10.915 1.00 0.00 N ATOM 309 CA PRO A 262 -10.840 6.319 11.321 1.00 0.00 C ATOM 310 C PRO A 262 -9.862 6.100 12.483 1.00 0.00 C ATOM 311 O PRO A 262 -8.828 6.760 12.553 1.00 0.00 O ATOM 312 CB PRO A 262 -11.986 7.249 11.723 1.00 0.00 C ATOM 313 CG PRO A 262 -13.085 6.312 12.219 1.00 0.00 C ATOM 314 CD PRO A 262 -12.902 5.092 11.326 1.00 0.00 C ATOM 0 HA PRO A 262 -10.228 6.731 10.519 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.677 7.945 12.502 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.326 7.847 10.878 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -12.963 6.065 13.274 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -14.076 6.753 12.107 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.154 4.177 11.863 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.560 5.144 10.459 1.00 0.00 H new ATOM 322 N ASN A 263 -10.159 5.136 13.363 1.00 0.00 N ATOM 323 CA ASN A 263 -9.279 4.701 14.456 1.00 0.00 C ATOM 324 C ASN A 263 -8.079 3.841 13.988 1.00 0.00 C ATOM 325 O ASN A 263 -7.170 3.572 14.779 1.00 0.00 O ATOM 326 CB ASN A 263 -10.126 3.985 15.522 1.00 0.00 C ATOM 327 CG ASN A 263 -10.814 2.728 14.991 1.00 0.00 C ATOM 328 OD1 ASN A 263 -10.177 1.729 14.681 1.00 0.00 O ATOM 329 ND2 ASN A 263 -12.130 2.744 14.849 1.00 0.00 N ATOM 0 H ASN A 263 -11.040 4.623 13.334 1.00 0.00 H new ATOM 0 HA ASN A 263 -8.819 5.589 14.889 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.489 3.716 16.364 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -10.881 4.674 15.901 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -12.613 1.924 14.481 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -12.661 3.576 15.107 1.00 0.00 H new ATOM 336 N CYS A 264 -8.058 3.451 12.707 1.00 0.00 N ATOM 337 CA CYS A 264 -6.942 2.787 12.036 1.00 0.00 C ATOM 338 C CYS A 264 -6.166 3.835 11.224 1.00 0.00 C ATOM 339 O CYS A 264 -5.116 4.312 11.661 1.00 0.00 O ATOM 340 CB CYS A 264 -7.492 1.645 11.163 1.00 0.00 C ATOM 341 SG CYS A 264 -6.471 0.152 11.246 1.00 0.00 S ATOM 0 H CYS A 264 -8.854 3.598 12.087 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.250 2.344 12.752 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.506 1.405 11.482 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.554 1.981 10.128 1.00 0.00 H new ATOM 0 HG CYS A 264 -7.223 -0.897 11.091 1.00 0.00 H new ATOM 346 N GLY A 265 -6.690 4.184 10.040 1.00 0.00 N ATOM 347 CA GLY A 265 -6.055 5.079 9.080 1.00 0.00 C ATOM 348 C GLY A 265 -4.735 4.533 8.531 1.00 0.00 C ATOM 349 O GLY A 265 -3.960 5.288 7.942 1.00 0.00 O ATOM 0 H GLY A 265 -7.595 3.837 9.721 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.740 5.258 8.251 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -5.873 6.042 9.556 1.00 0.00 H new ATOM 353 N LYS A 266 -4.463 3.240 8.738 1.00 0.00 N ATOM 354 CA LYS A 266 -3.200 2.595 8.388 1.00 0.00 C ATOM 355 C LYS A 266 -3.075 2.374 6.881 1.00 0.00 C ATOM 356 O LYS A 266 -4.060 2.046 6.219 1.00 0.00 O ATOM 357 CB LYS A 266 -3.069 1.253 9.121 1.00 0.00 C ATOM 358 CG LYS A 266 -3.031 1.405 10.639 1.00 0.00 C ATOM 359 CD LYS A 266 -2.840 0.015 11.247 1.00 0.00 C ATOM 360 CE LYS A 266 -2.790 0.076 12.766 1.00 0.00 C ATOM 361 NZ LYS A 266 -4.094 0.502 13.343 1.00 0.00 N ATOM 0 H LYS A 266 -5.134 2.600 9.164 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.395 3.261 8.698 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -3.907 0.612 8.846 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.161 0.751 8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.217 2.066 10.936 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.955 1.856 11.000 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.656 -0.636 10.934 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -1.918 -0.426 10.868 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.520 -0.903 13.161 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -2.010 0.771 13.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -4.408 -0.197 14.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -3.984 1.429 13.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.803 0.572 12.585 1.00 0.00 H new ATOM 375 N TRP A 267 -1.860 2.497 6.349 1.00 0.00 N ATOM 376 CA TRP A 267 -1.555 2.213 4.951 1.00 0.00 C ATOM 377 C TRP A 267 -0.910 0.827 4.830 1.00 0.00 C ATOM 378 O TRP A 267 0.084 0.551 5.497 1.00 0.00 O ATOM 379 CB TRP A 267 -0.659 3.324 4.390 1.00 0.00 C ATOM 380 CG TRP A 267 -1.285 4.683 4.347 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.246 5.602 5.337 1.00 0.00 C ATOM 382 CD2 TRP A 267 -2.041 5.305 3.263 1.00 0.00 C ATOM 383 NE1 TRP A 267 -1.901 6.750 4.934 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.400 6.628 3.656 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.454 4.883 1.982 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.107 7.498 2.811 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.177 5.741 1.131 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.487 7.052 1.534 1.00 0.00 C ATOM 0 H TRP A 267 -1.049 2.802 6.887 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.471 2.195 4.360 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.248 3.377 4.993 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.355 3.049 3.380 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -0.774 5.461 6.298 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.002 7.585 5.512 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.212 3.885 1.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.355 8.497 3.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.496 5.389 0.161 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -4.016 7.714 0.864 1.00 0.00 H new ATOM 399 N ARG A 268 -1.466 -0.043 3.980 1.00 0.00 N ATOM 400 CA ARG A 268 -0.892 -1.359 3.662 1.00 0.00 C ATOM 401 C ARG A 268 -0.442 -1.398 2.194 1.00 0.00 C ATOM 402 O ARG A 268 -1.063 -0.758 1.333 1.00 0.00 O ATOM 403 CB ARG A 268 -1.886 -2.497 3.968 1.00 0.00 C ATOM 404 CG ARG A 268 -2.595 -2.450 5.337 1.00 0.00 C ATOM 405 CD ARG A 268 -1.695 -2.444 6.578 1.00 0.00 C ATOM 406 NE ARG A 268 -2.519 -2.597 7.789 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.092 -2.702 9.036 1.00 0.00 C ATOM 408 NH1 ARG A 268 -0.841 -2.493 9.381 1.00 0.00 N ATOM 409 NH2 ARG A 268 -2.950 -3.013 9.971 1.00 0.00 N ATOM 0 H ARG A 268 -2.338 0.147 3.486 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.020 -1.513 4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -2.649 -2.500 3.190 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.352 -3.444 3.894 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.221 -1.558 5.366 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.262 -3.309 5.404 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -0.968 -3.254 6.516 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.131 -1.513 6.626 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.529 -2.625 7.651 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.153 -2.238 8.673 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.559 -2.586 10.357 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -3.929 -3.170 9.733 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.640 -3.099 10.939 1.00 0.00 H new ATOM 423 N ARG A 269 0.642 -2.134 1.929 1.00 0.00 N ATOM 424 CA ARG A 269 1.209 -2.367 0.592 1.00 0.00 C ATOM 425 C ARG A 269 0.364 -3.359 -0.211 1.00 0.00 C ATOM 426 O ARG A 269 -0.230 -4.271 0.363 1.00 0.00 O ATOM 427 CB ARG A 269 2.636 -2.934 0.704 1.00 0.00 C ATOM 428 CG ARG A 269 3.622 -1.934 1.291 1.00 0.00 C ATOM 429 CD ARG A 269 5.070 -2.443 1.295 1.00 0.00 C ATOM 430 NE ARG A 269 5.267 -3.537 2.261 1.00 0.00 N ATOM 431 CZ ARG A 269 5.578 -4.805 2.034 1.00 0.00 C ATOM 432 NH1 ARG A 269 5.709 -5.304 0.821 1.00 0.00 N ATOM 433 NH2 ARG A 269 5.764 -5.596 3.064 1.00 0.00 N ATOM 0 H ARG A 269 1.170 -2.602 2.665 1.00 0.00 H new ATOM 0 HA ARG A 269 1.221 -1.405 0.079 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.619 -3.829 1.326 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.980 -3.239 -0.284 1.00 0.00 H new ATOM 0 HG2 ARG A 269 3.571 -1.006 0.721 1.00 0.00 H new ATOM 0 HG3 ARG A 269 3.324 -1.697 2.312 1.00 0.00 H new ATOM 0 HD2 ARG A 269 5.335 -2.789 0.296 1.00 0.00 H new ATOM 0 HD3 ARG A 269 5.743 -1.620 1.537 1.00 0.00 H new ATOM 0 HE ARG A 269 5.147 -3.283 3.242 1.00 0.00 H new ATOM 0 HH11 ARG A 269 5.570 -4.707 0.006 1.00 0.00 H new ATOM 0 HH12 ARG A 269 5.950 -6.287 0.697 1.00 0.00 H new ATOM 0 HH21 ARG A 269 5.668 -5.231 4.011 1.00 0.00 H new ATOM 0 HH22 ARG A 269 6.004 -6.576 2.917 1.00 0.00 H new ATOM 447 N LEU A 270 0.378 -3.214 -1.538 1.00 0.00 N ATOM 448 CA LEU A 270 -0.287 -4.109 -2.498 1.00 0.00 C ATOM 449 C LEU A 270 0.676 -4.653 -3.565 1.00 0.00 C ATOM 450 O LEU A 270 1.777 -4.139 -3.769 1.00 0.00 O ATOM 451 CB LEU A 270 -1.464 -3.375 -3.176 1.00 0.00 C ATOM 452 CG LEU A 270 -2.627 -2.973 -2.252 1.00 0.00 C ATOM 453 CD1 LEU A 270 -3.723 -2.346 -3.120 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.233 -4.148 -1.463 1.00 0.00 C ATOM 0 H LEU A 270 0.869 -2.444 -1.993 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.658 -4.965 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.078 -2.475 -3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -1.858 -4.013 -3.967 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.228 -2.278 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.562 -2.051 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.326 -1.468 -3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.062 -3.072 -3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.046 -3.784 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.618 -4.894 -2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.465 -4.600 -0.835 1.00 0.00 H new ATOM 529 N PRO A 276 -5.847 0.910 -8.127 1.00 0.00 N ATOM 530 CA PRO A 276 -6.617 1.528 -7.053 1.00 0.00 C ATOM 531 C PRO A 276 -8.016 2.009 -7.473 1.00 0.00 C ATOM 532 O PRO A 276 -8.872 2.187 -6.611 1.00 0.00 O ATOM 533 CB PRO A 276 -5.740 2.661 -6.511 1.00 0.00 C ATOM 534 CG PRO A 276 -4.794 2.992 -7.660 1.00 0.00 C ATOM 535 CD PRO A 276 -4.613 1.643 -8.350 1.00 0.00 C ATOM 0 HA PRO A 276 -6.841 0.790 -6.283 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.339 3.526 -6.228 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.192 2.348 -5.622 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.220 3.736 -8.333 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -3.846 3.393 -7.301 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.423 1.772 -9.416 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.760 1.105 -7.937 1.00 0.00 H new ATOM 543 N SER A 277 -8.298 2.152 -8.772 1.00 0.00 N ATOM 544 CA SER A 277 -9.630 2.505 -9.285 1.00 0.00 C ATOM 545 C SER A 277 -10.606 1.306 -9.337 1.00 0.00 C ATOM 546 O SER A 277 -11.805 1.503 -9.551 1.00 0.00 O ATOM 547 CB SER A 277 -9.477 3.169 -10.665 1.00 0.00 C ATOM 548 OG SER A 277 -10.607 3.959 -11.014 1.00 0.00 O ATOM 0 H SER A 277 -7.602 2.025 -9.507 1.00 0.00 H new ATOM 0 HA SER A 277 -10.081 3.208 -8.585 1.00 0.00 H new ATOM 0 HB2 SER A 277 -8.585 3.795 -10.667 1.00 0.00 H new ATOM 0 HB3 SER A 277 -9.328 2.399 -11.422 1.00 0.00 H new ATOM 0 HG SER A 277 -11.427 3.494 -10.746 1.00 0.00 H new ATOM 554 N VAL A 278 -10.133 0.068 -9.096 1.00 0.00 N ATOM 555 CA VAL A 278 -10.972 -1.157 -9.018 1.00 0.00 C ATOM 556 C VAL A 278 -11.024 -1.769 -7.603 1.00 0.00 C ATOM 557 O VAL A 278 -11.488 -2.898 -7.429 1.00 0.00 O ATOM 558 CB VAL A 278 -10.625 -2.213 -10.101 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.734 -1.618 -11.517 1.00 0.00 C ATOM 560 CG2 VAL A 278 -9.248 -2.878 -9.938 1.00 0.00 C ATOM 0 H VAL A 278 -9.141 -0.119 -8.947 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.983 -0.817 -9.242 1.00 0.00 H new ATOM 0 HB VAL A 278 -11.368 -2.997 -9.958 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -10.485 -2.382 -12.253 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.752 -1.268 -11.687 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -10.042 -0.781 -11.614 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -9.095 -3.600 -10.740 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -8.469 -2.117 -9.982 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -9.202 -3.389 -8.976 1.00 0.00 H new ATOM 570 N LEU A 279 -10.574 -1.025 -6.581 1.00 0.00 N ATOM 571 CA LEU A 279 -10.658 -1.408 -5.164 1.00 0.00 C ATOM 572 C LEU A 279 -11.921 -0.830 -4.488 1.00 0.00 C ATOM 573 O LEU A 279 -12.431 0.207 -4.930 1.00 0.00 O ATOM 574 CB LEU A 279 -9.363 -0.977 -4.447 1.00 0.00 C ATOM 575 CG LEU A 279 -8.131 -1.797 -4.880 1.00 0.00 C ATOM 576 CD1 LEU A 279 -6.866 -1.193 -4.271 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.234 -3.257 -4.405 1.00 0.00 C ATOM 0 H LEU A 279 -10.130 -0.117 -6.721 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.752 -2.492 -5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.178 0.078 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.500 -1.079 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.089 -1.773 -5.969 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -5.999 -1.777 -4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.752 -0.165 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -6.943 -1.207 -3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.350 -3.807 -4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.301 -3.282 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.124 -3.717 -4.834 1.00 0.00 H new ATOM 589 N PRO A 280 -12.440 -1.500 -3.436 1.00 0.00 N ATOM 590 CA PRO A 280 -13.695 -1.148 -2.780 1.00 0.00 C ATOM 591 C PRO A 280 -13.566 0.138 -1.960 1.00 0.00 C ATOM 592 O PRO A 280 -12.531 0.402 -1.351 1.00 0.00 O ATOM 593 CB PRO A 280 -14.048 -2.353 -1.899 1.00 0.00 C ATOM 594 CG PRO A 280 -12.704 -3.015 -1.608 1.00 0.00 C ATOM 595 CD PRO A 280 -11.887 -2.715 -2.853 1.00 0.00 C ATOM 0 HA PRO A 280 -14.481 -0.943 -3.507 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.545 -2.042 -0.980 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.725 -3.036 -2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.238 -2.603 -0.713 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -12.811 -4.088 -1.446 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.835 -2.579 -2.602 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -11.942 -3.543 -3.560 1.00 0.00 H new ATOM 603 N ASP A 281 -14.648 0.921 -1.901 1.00 0.00 N ATOM 604 CA ASP A 281 -14.730 2.161 -1.111 1.00 0.00 C ATOM 605 C ASP A 281 -14.715 1.917 0.414 1.00 0.00 C ATOM 606 O ASP A 281 -14.530 2.853 1.193 1.00 0.00 O ATOM 607 CB ASP A 281 -15.992 2.941 -1.513 1.00 0.00 C ATOM 608 CG ASP A 281 -15.940 3.435 -2.968 1.00 0.00 C ATOM 609 OD1 ASP A 281 -15.256 4.453 -3.228 1.00 0.00 O ATOM 610 OD2 ASP A 281 -16.601 2.818 -3.838 1.00 0.00 O ATOM 0 H ASP A 281 -15.508 0.710 -2.408 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.836 2.744 -1.335 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -16.867 2.304 -1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.115 3.795 -0.847 1.00 0.00 H new ATOM 615 N ASN A 282 -14.854 0.658 0.834 1.00 0.00 N ATOM 616 CA ASN A 282 -14.843 0.196 2.225 1.00 0.00 C ATOM 617 C ASN A 282 -13.665 -0.767 2.502 1.00 0.00 C ATOM 618 O ASN A 282 -13.736 -1.592 3.416 1.00 0.00 O ATOM 619 CB ASN A 282 -16.213 -0.429 2.551 1.00 0.00 C ATOM 620 CG ASN A 282 -17.364 0.559 2.392 1.00 0.00 C ATOM 621 OD1 ASN A 282 -18.037 0.609 1.369 1.00 0.00 O ATOM 622 ND2 ASN A 282 -17.631 1.368 3.402 1.00 0.00 N ATOM 0 H ASN A 282 -14.985 -0.110 0.176 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.682 1.045 2.890 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.382 -1.285 1.898 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.202 -0.806 3.574 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -18.399 2.036 3.331 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -17.070 1.325 4.252 1.00 0.00 H new ATOM 629 N TRP A 283 -12.585 -0.683 1.710 1.00 0.00 N ATOM 630 CA TRP A 283 -11.339 -1.424 1.935 1.00 0.00 C ATOM 631 C TRP A 283 -10.787 -1.209 3.357 1.00 0.00 C ATOM 632 O TRP A 283 -10.717 -0.082 3.840 1.00 0.00 O ATOM 633 CB TRP A 283 -10.291 -1.020 0.889 1.00 0.00 C ATOM 634 CG TRP A 283 -9.100 -1.918 0.886 1.00 0.00 C ATOM 635 CD1 TRP A 283 -8.917 -2.975 0.062 1.00 0.00 C ATOM 636 CD2 TRP A 283 -7.963 -1.914 1.803 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.766 -3.647 0.427 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.155 -3.051 1.511 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.556 -1.092 2.879 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.012 -3.358 2.260 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.422 -1.402 3.647 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.657 -2.536 3.337 1.00 0.00 C ATOM 0 H TRP A 283 -12.555 -0.088 0.882 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.563 -2.486 1.832 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.749 -1.029 -0.100 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -9.968 0.003 1.081 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.569 -3.251 -0.754 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.413 -4.479 -0.046 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.129 -0.208 3.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.411 -4.220 2.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.139 -0.768 4.475 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -4.789 -2.777 3.932 1.00 0.00 H new ATOM 653 N SER A 284 -10.349 -2.277 4.015 1.00 0.00 N ATOM 654 CA SER A 284 -9.806 -2.277 5.380 1.00 0.00 C ATOM 655 C SER A 284 -8.631 -3.256 5.494 1.00 0.00 C ATOM 656 O SER A 284 -8.402 -4.054 4.580 1.00 0.00 O ATOM 657 CB SER A 284 -10.912 -2.653 6.379 1.00 0.00 C ATOM 658 OG SER A 284 -11.400 -3.975 6.156 1.00 0.00 O ATOM 0 H SER A 284 -10.361 -3.208 3.599 1.00 0.00 H new ATOM 0 HA SER A 284 -9.440 -1.277 5.612 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.526 -2.575 7.395 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.735 -1.943 6.295 1.00 0.00 H new ATOM 0 HG SER A 284 -12.100 -4.180 6.810 1.00 0.00 H new ATOM 664 N CYS A 285 -7.908 -3.245 6.621 1.00 0.00 N ATOM 665 CA CYS A 285 -6.811 -4.187 6.877 1.00 0.00 C ATOM 666 C CYS A 285 -7.227 -5.667 6.657 1.00 0.00 C ATOM 667 O CYS A 285 -6.419 -6.482 6.217 1.00 0.00 O ATOM 668 CB CYS A 285 -6.284 -4.020 8.313 1.00 0.00 C ATOM 669 SG CYS A 285 -5.721 -2.339 8.700 1.00 0.00 S ATOM 0 H CYS A 285 -8.067 -2.583 7.381 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.027 -3.950 6.157 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.072 -4.299 9.013 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.458 -4.714 8.469 1.00 0.00 H new ATOM 0 HG CYS A 285 -6.709 -1.506 8.555 1.00 0.00 H new ATOM 674 N ASP A 286 -8.495 -6.016 6.907 1.00 0.00 N ATOM 675 CA ASP A 286 -9.070 -7.354 6.688 1.00 0.00 C ATOM 676 C ASP A 286 -9.135 -7.770 5.199 1.00 0.00 C ATOM 677 O ASP A 286 -9.321 -8.946 4.884 1.00 0.00 O ATOM 678 CB ASP A 286 -10.464 -7.386 7.337 1.00 0.00 C ATOM 679 CG ASP A 286 -11.096 -8.790 7.345 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.587 -9.675 8.072 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.129 -8.988 6.659 1.00 0.00 O ATOM 0 H ASP A 286 -9.175 -5.353 7.280 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.409 -8.087 7.152 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.389 -7.022 8.362 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.122 -6.701 6.803 1.00 0.00 H new ATOM 686 N GLN A 287 -8.946 -6.817 4.282 1.00 0.00 N ATOM 687 CA GLN A 287 -8.979 -6.985 2.825 1.00 0.00 C ATOM 688 C GLN A 287 -7.564 -6.923 2.204 1.00 0.00 C ATOM 689 O GLN A 287 -7.420 -6.804 0.984 1.00 0.00 O ATOM 690 CB GLN A 287 -9.948 -5.931 2.248 1.00 0.00 C ATOM 691 CG GLN A 287 -11.407 -6.232 2.636 1.00 0.00 C ATOM 692 CD GLN A 287 -12.334 -5.036 2.438 1.00 0.00 C ATOM 693 OE1 GLN A 287 -12.810 -4.751 1.347 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.621 -4.282 3.479 1.00 0.00 N ATOM 0 H GLN A 287 -8.755 -5.852 4.551 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.346 -7.978 2.567 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.670 -4.942 2.613 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -9.857 -5.908 1.162 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -11.771 -7.069 2.040 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.443 -6.544 3.680 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.232 -4.507 4.395 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.233 -3.473 3.370 1.00 0.00 H new ATOM 703 N ASN A 288 -6.511 -7.016 3.024 1.00 0.00 N ATOM 704 CA ASN A 288 -5.112 -7.006 2.581 1.00 0.00 C ATOM 705 C ASN A 288 -4.672 -8.300 1.870 1.00 0.00 C ATOM 706 O ASN A 288 -5.211 -9.384 2.121 1.00 0.00 O ATOM 707 CB ASN A 288 -4.198 -6.701 3.782 1.00 0.00 C ATOM 708 CG ASN A 288 -2.831 -6.188 3.342 1.00 0.00 C ATOM 709 OD1 ASN A 288 -2.719 -5.371 2.440 1.00 0.00 O ATOM 710 ND2 ASN A 288 -1.752 -6.682 3.920 1.00 0.00 N ATOM 0 H ASN A 288 -6.610 -7.102 4.036 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.022 -6.221 1.830 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.675 -5.959 4.422 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.072 -7.603 4.380 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -0.827 -6.382 3.614 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -1.844 -7.364 4.673 1.00 0.00 H new ATOM 717 N THR A 289 -3.646 -8.186 1.015 1.00 0.00 N ATOM 718 CA THR A 289 -3.033 -9.301 0.269 1.00 0.00 C ATOM 719 C THR A 289 -1.956 -10.036 1.064 1.00 0.00 C ATOM 720 O THR A 289 -1.570 -11.139 0.681 1.00 0.00 O ATOM 721 CB THR A 289 -2.439 -8.797 -1.053 1.00 0.00 C ATOM 722 OG1 THR A 289 -1.554 -7.729 -0.786 1.00 0.00 O ATOM 723 CG2 THR A 289 -3.523 -8.293 -2.004 1.00 0.00 C ATOM 0 H THR A 289 -3.204 -7.289 0.815 1.00 0.00 H new ATOM 0 HA THR A 289 -3.834 -10.015 0.074 1.00 0.00 H new ATOM 0 HB THR A 289 -1.921 -9.632 -1.525 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.170 -7.404 -1.627 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.063 -7.945 -2.929 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.217 -9.103 -2.227 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.064 -7.471 -1.536 1.00 0.00 H new ATOM 731 N ASP A 290 -1.493 -9.458 2.175 1.00 0.00 N ATOM 732 CA ASP A 290 -0.375 -9.958 2.980 1.00 0.00 C ATOM 733 C ASP A 290 -0.802 -10.263 4.426 1.00 0.00 C ATOM 734 O ASP A 290 -1.225 -9.370 5.162 1.00 0.00 O ATOM 735 CB ASP A 290 0.784 -8.939 2.943 1.00 0.00 C ATOM 736 CG ASP A 290 2.107 -9.591 2.505 1.00 0.00 C ATOM 737 OD1 ASP A 290 2.428 -10.689 3.018 1.00 0.00 O ATOM 738 OD2 ASP A 290 2.813 -9.007 1.650 1.00 0.00 O ATOM 0 H ASP A 290 -1.899 -8.601 2.552 1.00 0.00 H new ATOM 0 HA ASP A 290 -0.035 -10.900 2.550 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.534 -8.129 2.257 1.00 0.00 H new ATOM 0 HB3 ASP A 290 0.908 -8.494 3.930 1.00 0.00 H new ATOM 743 N VAL A 291 -0.654 -11.527 4.839 1.00 0.00 N ATOM 744 CA VAL A 291 -1.111 -12.054 6.147 1.00 0.00 C ATOM 745 C VAL A 291 -0.364 -11.459 7.348 1.00 0.00 C ATOM 746 O VAL A 291 -0.847 -11.513 8.477 1.00 0.00 O ATOM 747 CB VAL A 291 -1.022 -13.597 6.229 1.00 0.00 C ATOM 748 CG1 VAL A 291 -1.885 -14.249 5.139 1.00 0.00 C ATOM 749 CG2 VAL A 291 0.426 -14.111 6.129 1.00 0.00 C ATOM 0 H VAL A 291 -0.202 -12.237 4.263 1.00 0.00 H new ATOM 0 HA VAL A 291 -2.154 -11.744 6.204 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.402 -13.880 7.210 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -1.808 -15.334 5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -2.925 -13.949 5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.536 -13.928 4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 291 0.431 -15.199 6.192 1.00 0.00 H new ATOM 0 HG22 VAL A 291 0.857 -13.801 5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.016 -13.698 6.947 1.00 0.00 H new ATOM 759 N GLN A 292 0.807 -10.873 7.095 1.00 0.00 N ATOM 760 CA GLN A 292 1.624 -10.174 8.086 1.00 0.00 C ATOM 761 C GLN A 292 1.004 -8.850 8.552 1.00 0.00 C ATOM 762 O GLN A 292 1.379 -8.358 9.614 1.00 0.00 O ATOM 763 CB GLN A 292 3.060 -9.986 7.558 1.00 0.00 C ATOM 764 CG GLN A 292 3.181 -9.728 6.048 1.00 0.00 C ATOM 765 CD GLN A 292 4.566 -9.238 5.615 1.00 0.00 C ATOM 766 OE1 GLN A 292 4.724 -8.188 5.006 1.00 0.00 O ATOM 767 NE2 GLN A 292 5.626 -9.969 5.902 1.00 0.00 N ATOM 0 H GLN A 292 1.226 -10.872 6.165 1.00 0.00 H new ATOM 0 HA GLN A 292 1.663 -10.803 8.975 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.517 -9.151 8.089 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.639 -10.876 7.804 1.00 0.00 H new ATOM 0 HG2 GLN A 292 2.947 -10.648 5.512 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.436 -8.989 5.754 1.00 0.00 H new ATOM 0 HE21 GLN A 292 5.518 -10.848 6.409 1.00 0.00 H new ATOM 0 HE22 GLN A 292 6.554 -9.656 5.617 1.00 0.00 H new ATOM 776 N TYR A 293 0.032 -8.305 7.807 1.00 0.00 N ATOM 777 CA TYR A 293 -0.657 -7.041 8.121 1.00 0.00 C ATOM 778 C TYR A 293 -2.161 -7.070 7.765 1.00 0.00 C ATOM 779 O TYR A 293 -2.771 -6.033 7.503 1.00 0.00 O ATOM 780 CB TYR A 293 0.088 -5.858 7.473 1.00 0.00 C ATOM 781 CG TYR A 293 1.517 -5.667 7.951 1.00 0.00 C ATOM 782 CD1 TYR A 293 1.771 -4.873 9.084 1.00 0.00 C ATOM 783 CD2 TYR A 293 2.587 -6.312 7.300 1.00 0.00 C ATOM 784 CE1 TYR A 293 3.080 -4.733 9.581 1.00 0.00 C ATOM 785 CE2 TYR A 293 3.897 -6.186 7.795 1.00 0.00 C ATOM 786 CZ TYR A 293 4.150 -5.400 8.941 1.00 0.00 C ATOM 787 OH TYR A 293 5.415 -5.300 9.436 1.00 0.00 O ATOM 0 H TYR A 293 -0.306 -8.740 6.949 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.630 -6.905 9.202 1.00 0.00 H new ATOM 0 HB2 TYR A 293 0.097 -6.001 6.392 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.471 -4.943 7.669 1.00 0.00 H new ATOM 0 HD1 TYR A 293 0.954 -4.366 9.577 1.00 0.00 H new ATOM 0 HD2 TYR A 293 2.400 -6.906 6.417 1.00 0.00 H new ATOM 0 HE1 TYR A 293 3.267 -4.118 10.449 1.00 0.00 H new ATOM 0 HE2 TYR A 293 4.712 -6.691 7.298 1.00 0.00 H new ATOM 0 HH TYR A 293 6.028 -5.821 8.876 1.00 0.00 H new ATOM 797 N ASN A 294 -2.778 -8.259 7.761 1.00 0.00 N ATOM 798 CA ASN A 294 -4.178 -8.469 7.358 1.00 0.00 C ATOM 799 C ASN A 294 -5.220 -8.227 8.478 1.00 0.00 C ATOM 800 O ASN A 294 -6.344 -8.732 8.406 1.00 0.00 O ATOM 801 CB ASN A 294 -4.339 -9.845 6.688 1.00 0.00 C ATOM 802 CG ASN A 294 -4.346 -11.027 7.661 1.00 0.00 C ATOM 803 OD1 ASN A 294 -3.952 -10.930 8.819 1.00 0.00 O ATOM 804 ND2 ASN A 294 -4.807 -12.183 7.217 1.00 0.00 N ATOM 0 H ASN A 294 -2.310 -9.120 8.043 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.404 -7.693 6.626 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.270 -9.852 6.120 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.528 -9.984 5.973 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -4.835 -12.993 7.837 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -5.135 -12.266 6.255 1.00 0.00 H new ATOM 811 N ARG A 295 -4.844 -7.488 9.530 1.00 0.00 N ATOM 812 CA ARG A 295 -5.684 -7.176 10.693 1.00 0.00 C ATOM 813 C ARG A 295 -5.454 -5.754 11.194 1.00 0.00 C ATOM 814 O ARG A 295 -4.318 -5.302 11.332 1.00 0.00 O ATOM 815 CB ARG A 295 -5.365 -8.150 11.837 1.00 0.00 C ATOM 816 CG ARG A 295 -6.241 -9.405 11.823 1.00 0.00 C ATOM 817 CD ARG A 295 -5.783 -10.337 12.951 1.00 0.00 C ATOM 818 NE ARG A 295 -6.691 -11.484 13.114 1.00 0.00 N ATOM 819 CZ ARG A 295 -6.592 -12.437 14.036 1.00 0.00 C ATOM 820 NH1 ARG A 295 -5.624 -12.445 14.931 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.478 -13.408 14.072 1.00 0.00 N ATOM 0 H ARG A 295 -3.913 -7.076 9.597 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.723 -7.272 10.379 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.318 -8.445 11.773 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.493 -7.636 12.790 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.289 -9.136 11.957 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.162 -9.910 10.860 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -4.776 -10.697 12.739 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -5.731 -9.779 13.886 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.469 -11.554 12.458 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -4.922 -11.705 14.930 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -5.577 -13.191 15.625 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.239 -13.429 13.393 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.404 -14.140 14.778 1.00 0.00 H new ATOM 835 N CYS A 296 -6.544 -5.104 11.589 1.00 0.00 N ATOM 836 CA CYS A 296 -6.581 -3.779 12.202 1.00 0.00 C ATOM 837 C CYS A 296 -5.870 -3.667 13.569 1.00 0.00 C ATOM 838 O CYS A 296 -5.560 -2.564 14.026 1.00 0.00 O ATOM 839 CB CYS A 296 -8.062 -3.433 12.343 1.00 0.00 C ATOM 840 SG CYS A 296 -8.672 -2.714 10.797 1.00 0.00 S ATOM 0 H CYS A 296 -7.475 -5.508 11.485 1.00 0.00 H new ATOM 0 HA CYS A 296 -6.029 -3.086 11.567 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.633 -4.329 12.589 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.204 -2.729 13.163 1.00 0.00 H new ATOM 0 HG CYS A 296 -7.670 -2.482 10.002 1.00 0.00 H new ATOM 845 N ASP A 297 -5.588 -4.803 14.205 1.00 0.00 N ATOM 846 CA ASP A 297 -4.908 -4.897 15.497 1.00 0.00 C ATOM 847 C ASP A 297 -3.386 -5.043 15.313 1.00 0.00 C ATOM 848 O ASP A 297 -2.634 -5.120 16.286 1.00 0.00 O ATOM 849 CB ASP A 297 -5.549 -6.059 16.264 1.00 0.00 C ATOM 850 CG ASP A 297 -5.118 -6.127 17.739 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.372 -5.153 18.488 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.567 -7.174 18.157 1.00 0.00 O ATOM 0 H ASP A 297 -5.835 -5.715 13.822 1.00 0.00 H new ATOM 0 HA ASP A 297 -5.030 -3.983 16.079 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.634 -5.964 16.214 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.288 -6.997 15.773 1.00 0.00 H new ATOM 857 N ILE A 298 -2.927 -5.052 14.056 1.00 0.00 N ATOM 858 CA ILE A 298 -1.516 -5.095 13.676 1.00 0.00 C ATOM 859 C ILE A 298 -1.047 -3.670 13.352 1.00 0.00 C ATOM 860 O ILE A 298 -1.712 -2.983 12.563 1.00 0.00 O ATOM 861 CB ILE A 298 -1.265 -6.047 12.487 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.825 -7.444 12.824 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.239 -6.116 12.185 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.600 -8.507 11.743 1.00 0.00 C ATOM 0 H ILE A 298 -3.552 -5.029 13.250 1.00 0.00 H new ATOM 0 HA ILE A 298 -0.940 -5.491 14.512 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.774 -5.672 11.599 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.369 -7.788 13.752 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -2.896 -7.355 13.009 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.411 -6.789 11.345 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.606 -5.121 11.933 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.770 -6.487 13.062 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -2.028 -9.455 12.070 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -2.081 -8.192 10.817 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.531 -8.631 11.572 1.00 0.00 H new ATOM 876 N PRO A 299 0.093 -3.235 13.915 1.00 0.00 N ATOM 877 CA PRO A 299 0.639 -1.899 13.722 1.00 0.00 C ATOM 878 C PRO A 299 1.020 -1.628 12.263 1.00 0.00 C ATOM 879 O PRO A 299 1.204 -2.546 11.466 1.00 0.00 O ATOM 880 CB PRO A 299 1.855 -1.831 14.650 1.00 0.00 C ATOM 881 CG PRO A 299 2.295 -3.281 14.821 1.00 0.00 C ATOM 882 CD PRO A 299 0.972 -4.032 14.759 1.00 0.00 C ATOM 0 HA PRO A 299 -0.098 -1.131 13.958 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.650 -1.225 14.216 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.597 -1.380 15.608 1.00 0.00 H new ATOM 0 HG2 PRO A 299 2.978 -3.594 14.031 1.00 0.00 H new ATOM 0 HG3 PRO A 299 2.809 -3.441 15.769 1.00 0.00 H new ATOM 0 HD2 PRO A 299 1.110 -5.031 14.344 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.548 -4.156 15.755 1.00 0.00 H new ATOM 890 N GLU A 300 1.146 -0.345 11.919 1.00 0.00 N ATOM 891 CA GLU A 300 1.653 0.111 10.623 1.00 0.00 C ATOM 892 C GLU A 300 3.145 -0.270 10.462 1.00 0.00 C ATOM 893 O GLU A 300 3.901 -0.355 11.436 1.00 0.00 O ATOM 894 CB GLU A 300 1.381 1.626 10.514 1.00 0.00 C ATOM 895 CG GLU A 300 0.885 2.091 9.141 1.00 0.00 C ATOM 896 CD GLU A 300 2.004 2.216 8.100 1.00 0.00 C ATOM 897 OE1 GLU A 300 2.333 1.189 7.467 1.00 0.00 O ATOM 898 OE2 GLU A 300 2.527 3.339 7.909 1.00 0.00 O ATOM 0 H GLU A 300 0.894 0.420 12.545 1.00 0.00 H new ATOM 0 HA GLU A 300 1.140 -0.382 9.797 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.642 1.903 11.265 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.298 2.164 10.755 1.00 0.00 H new ATOM 0 HG2 GLU A 300 0.136 1.388 8.776 1.00 0.00 H new ATOM 0 HG3 GLU A 300 0.390 3.056 9.249 1.00 0.00 H new ATOM 1027 N ARG B 2 -9.029 5.545 1.083 1.00 0.00 N ATOM 1028 CA ARG B 2 -8.031 6.354 0.362 1.00 0.00 C ATOM 1029 C ARG B 2 -6.987 5.466 -0.317 1.00 0.00 C ATOM 1030 O ARG B 2 -6.672 4.374 0.166 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.346 7.369 1.294 1.00 0.00 C ATOM 1032 CG ARG B 2 -6.947 8.663 0.561 1.00 0.00 C ATOM 1033 CD ARG B 2 -6.457 9.752 1.524 1.00 0.00 C ATOM 1034 NE ARG B 2 -7.569 10.342 2.294 1.00 0.00 N ATOM 1035 CZ ARG B 2 -7.481 11.337 3.170 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -6.335 11.917 3.457 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -8.568 11.774 3.771 1.00 0.00 N ATOM 0 HA ARG B 2 -8.564 6.911 -0.409 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -8.018 7.613 2.117 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.458 6.914 1.732 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -6.162 8.441 -0.162 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -7.802 9.037 -0.002 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -5.724 9.328 2.210 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -5.950 10.535 0.960 1.00 0.00 H new ATOM 0 HE ARG B 2 -8.496 9.947 2.138 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -5.477 11.605 3.001 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -6.304 12.679 4.135 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -9.472 11.349 3.563 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -8.506 12.538 4.444 1.00 0.00 H new ATOM 1051 N THR B 3 -6.417 5.978 -1.404 1.00 0.00 N ATOM 1052 CA THR B 3 -5.394 5.325 -2.230 1.00 0.00 C ATOM 1053 C THR B 3 -4.335 6.331 -2.635 1.00 0.00 C ATOM 1054 O THR B 3 -4.646 7.456 -3.028 1.00 0.00 O ATOM 1055 CB THR B 3 -6.001 4.672 -3.481 1.00 0.00 C ATOM 1056 OG1 THR B 3 -6.990 5.498 -4.059 1.00 0.00 O ATOM 1057 CG2 THR B 3 -6.625 3.322 -3.136 1.00 0.00 C ATOM 0 H THR B 3 -6.665 6.904 -1.754 1.00 0.00 H new ATOM 0 HA THR B 3 -4.940 4.536 -1.631 1.00 0.00 H new ATOM 0 HB THR B 3 -5.191 4.529 -4.197 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.359 5.060 -4.854 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.049 2.877 -4.036 1.00 0.00 H new ATOM 0 HG22 THR B 3 -5.860 2.661 -2.730 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.412 3.464 -2.396 1.00 0.00 H new