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= 0.449 USER MOD Set 1.2: A 287 GLN : amide:sc= 1 X(o=1.4,f=0.96) USER MOD Set 2.1: A 259 CYS SG : rot -175:sc= 1.11 USER MOD Set 2.2: A 264 CYS SG : rot 149:sc= 2.29 USER MOD Set 2.3: A 266 LYS NZ :NH3+ 152:sc= 1.31 (180deg=-0.143) USER MOD Set 2.4: A 285 CYS SG : rot 60:sc= 2.99 USER MOD Set 2.5: A 296 CYS SG : rot -8:sc= 1.31 USER MOD Single : A 258 GLN : amide:sc= 0.715 K(o=0.71,f=-1.5) USER MOD Single : A 260 SER OG : rot -170:sc= 0 USER MOD Single : A 263 ASN : amide:sc= 0.0513 K(o=0.051,f=-1.2) USER MOD Single : A 277 SER OG : rot -31:sc= 0.00526 USER MOD Single : A 282 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 288 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.32) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0.00972 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 -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 194 N VAL A 255 1.657 0.548 -4.950 1.00 0.00 N ATOM 195 CA VAL A 255 0.296 1.005 -4.609 1.00 0.00 C ATOM 196 C VAL A 255 0.054 0.798 -3.112 1.00 0.00 C ATOM 197 O VAL A 255 0.399 -0.254 -2.565 1.00 0.00 O ATOM 198 CB VAL A 255 -0.783 0.258 -5.435 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.205 0.764 -5.130 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.540 0.401 -6.948 1.00 0.00 C ATOM 0 HA VAL A 255 0.218 2.064 -4.854 1.00 0.00 H new ATOM 0 HB VAL A 255 -0.702 -0.789 -5.143 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -2.925 0.211 -5.733 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.425 0.615 -4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.272 1.826 -5.368 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.316 -0.136 -7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.566 1.455 -7.223 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.435 -0.015 -7.201 1.00 0.00 H new ATOM 210 N TRP A 256 -0.573 1.787 -2.468 1.00 0.00 N ATOM 211 CA TRP A 256 -0.989 1.730 -1.066 1.00 0.00 C ATOM 212 C TRP A 256 -2.487 2.033 -0.907 1.00 0.00 C ATOM 213 O TRP A 256 -3.060 2.840 -1.643 1.00 0.00 O ATOM 214 CB TRP A 256 -0.191 2.731 -0.222 1.00 0.00 C ATOM 215 CG TRP A 256 1.295 2.597 -0.169 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.149 3.002 -1.132 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.126 2.063 0.908 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.445 2.788 -0.719 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.493 2.180 0.516 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.865 1.478 2.169 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.548 1.712 1.313 1.00 0.00 C ATOM 222 CZ3 TRP A 256 2.914 0.970 2.957 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.249 1.078 2.529 1.00 0.00 C ATOM 0 H TRP A 256 -0.810 2.670 -2.919 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.795 0.715 -0.719 1.00 0.00 H new ATOM 0 HB2 TRP A 256 -0.420 3.731 -0.590 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.565 2.674 0.800 1.00 0.00 H new ATOM 0 HD1 TRP A 256 1.860 3.429 -2.081 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.269 3.048 -1.261 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.849 1.421 2.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.573 1.837 0.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.692 0.492 3.900 1.00 0.00 H new ATOM 0 HH2 TRP A 256 5.045 0.673 3.136 1.00 0.00 H new ATOM 234 N VAL A 257 -3.088 1.428 0.116 1.00 0.00 N ATOM 235 CA VAL A 257 -4.509 1.563 0.493 1.00 0.00 C ATOM 236 C VAL A 257 -4.629 1.934 1.967 1.00 0.00 C ATOM 237 O VAL A 257 -3.971 1.315 2.803 1.00 0.00 O ATOM 238 CB VAL A 257 -5.303 0.256 0.255 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.860 0.199 -1.164 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.480 -1.014 0.530 1.00 0.00 C ATOM 0 H VAL A 257 -2.581 0.799 0.739 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.929 2.347 -0.138 1.00 0.00 H new ATOM 0 HB VAL A 257 -6.123 0.278 0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.413 -0.730 -1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.527 1.045 -1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -5.039 0.241 -1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -5.096 -1.894 0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.611 -1.034 -0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -4.149 -1.015 1.569 1.00 0.00 H new ATOM 250 N GLN A 258 -5.462 2.931 2.278 1.00 0.00 N ATOM 251 CA GLN A 258 -5.751 3.341 3.651 1.00 0.00 C ATOM 252 C GLN A 258 -7.009 2.639 4.178 1.00 0.00 C ATOM 253 O GLN A 258 -8.051 2.634 3.518 1.00 0.00 O ATOM 254 CB GLN A 258 -5.898 4.866 3.745 1.00 0.00 C ATOM 255 CG GLN A 258 -5.962 5.331 5.213 1.00 0.00 C ATOM 256 CD GLN A 258 -5.908 6.851 5.377 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.605 7.606 4.713 1.00 0.00 O ATOM 258 NE2 GLN A 258 -5.101 7.363 6.282 1.00 0.00 N ATOM 0 H GLN A 258 -5.958 3.480 1.576 1.00 0.00 H new ATOM 0 HA GLN A 258 -4.910 3.042 4.277 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -5.057 5.346 3.245 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.801 5.180 3.222 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.882 4.958 5.664 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.133 4.885 5.763 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.512 6.750 6.846 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -5.065 8.373 6.420 1.00 0.00 H new ATOM 267 N CYS A 259 -6.907 2.093 5.392 1.00 0.00 N ATOM 268 CA CYS A 259 -8.006 1.481 6.130 1.00 0.00 C ATOM 269 C CYS A 259 -9.215 2.432 6.285 1.00 0.00 C ATOM 270 O CYS A 259 -9.070 3.611 6.623 1.00 0.00 O ATOM 271 CB CYS A 259 -7.456 1.049 7.493 1.00 0.00 C ATOM 272 SG CYS A 259 -8.631 -0.078 8.291 1.00 0.00 S ATOM 0 H CYS A 259 -6.025 2.066 5.903 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.384 0.621 5.577 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.491 0.557 7.368 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.289 1.923 8.123 1.00 0.00 H new ATOM 0 HG CYS A 259 -8.216 -0.360 9.490 1.00 0.00 H new ATOM 277 N SER A 260 -10.416 1.912 6.037 1.00 0.00 N ATOM 278 CA SER A 260 -11.674 2.675 6.108 1.00 0.00 C ATOM 279 C SER A 260 -12.048 3.095 7.545 1.00 0.00 C ATOM 280 O SER A 260 -12.725 4.112 7.735 1.00 0.00 O ATOM 281 CB SER A 260 -12.802 1.900 5.411 1.00 0.00 C ATOM 282 OG SER A 260 -14.080 2.514 5.510 1.00 0.00 O ATOM 0 H SER A 260 -10.551 0.935 5.777 1.00 0.00 H new ATOM 0 HA SER A 260 -11.521 3.612 5.572 1.00 0.00 H new ATOM 0 HB2 SER A 260 -12.549 1.782 4.357 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.858 0.899 5.839 1.00 0.00 H new ATOM 0 HG SER A 260 -14.767 1.894 5.186 1.00 0.00 H new ATOM 288 N PHE A 261 -11.564 2.382 8.573 1.00 0.00 N ATOM 289 CA PHE A 261 -11.786 2.756 9.967 1.00 0.00 C ATOM 290 C PHE A 261 -10.942 3.977 10.386 1.00 0.00 C ATOM 291 O PHE A 261 -9.733 4.006 10.130 1.00 0.00 O ATOM 292 CB PHE A 261 -11.509 1.567 10.886 1.00 0.00 C ATOM 293 CG PHE A 261 -12.481 0.420 10.735 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.798 0.547 11.215 1.00 0.00 C ATOM 295 CD2 PHE A 261 -12.066 -0.782 10.133 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.699 -0.527 11.085 1.00 0.00 C ATOM 297 CE2 PHE A 261 -12.960 -1.858 10.015 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.280 -1.729 10.483 1.00 0.00 C ATOM 0 H PHE A 261 -11.010 1.533 8.456 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.833 3.044 10.064 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.501 1.201 10.692 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.529 1.911 11.920 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -14.117 1.467 11.682 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -11.057 -0.877 9.761 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.712 -0.429 11.447 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.634 -2.784 9.565 1.00 0.00 H new ATOM 0 HZ PHE A 261 -14.972 -2.552 10.381 1.00 0.00 H new ATOM 308 N PRO A 262 -11.553 4.955 11.082 1.00 0.00 N ATOM 309 CA PRO A 262 -10.901 6.194 11.503 1.00 0.00 C ATOM 310 C PRO A 262 -9.896 5.973 12.641 1.00 0.00 C ATOM 311 O PRO A 262 -8.870 6.646 12.697 1.00 0.00 O ATOM 312 CB PRO A 262 -12.055 7.094 11.949 1.00 0.00 C ATOM 313 CG PRO A 262 -13.122 6.122 12.452 1.00 0.00 C ATOM 314 CD PRO A 262 -12.943 4.933 11.519 1.00 0.00 C ATOM 0 HA PRO A 262 -10.311 6.630 10.697 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.742 7.782 12.735 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.428 7.701 11.124 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -12.963 5.848 13.495 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -14.124 6.546 12.383 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.174 3.999 12.032 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.619 5.004 10.667 1.00 0.00 H new ATOM 322 N ASN A 263 -10.164 4.997 13.515 1.00 0.00 N ATOM 323 CA ASN A 263 -9.260 4.558 14.587 1.00 0.00 C ATOM 324 C ASN A 263 -8.075 3.700 14.084 1.00 0.00 C ATOM 325 O ASN A 263 -7.180 3.366 14.865 1.00 0.00 O ATOM 326 CB ASN A 263 -10.080 3.819 15.657 1.00 0.00 C ATOM 327 CG ASN A 263 -10.733 2.548 15.121 1.00 0.00 C ATOM 328 OD1 ASN A 263 -11.757 2.595 14.449 1.00 0.00 O ATOM 329 ND2 ASN A 263 -10.158 1.388 15.380 1.00 0.00 N ATOM 0 H ASN A 263 -11.040 4.475 13.497 1.00 0.00 H new ATOM 0 HA ASN A 263 -8.799 5.446 15.019 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.431 3.564 16.495 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -10.852 4.485 16.042 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -10.566 0.525 15.020 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -9.306 1.355 15.940 1.00 0.00 H new ATOM 336 N CYS A 264 -8.063 3.363 12.789 1.00 0.00 N ATOM 337 CA CYS A 264 -6.961 2.716 12.084 1.00 0.00 C ATOM 338 C CYS A 264 -6.201 3.779 11.277 1.00 0.00 C ATOM 339 O CYS A 264 -5.149 4.257 11.708 1.00 0.00 O ATOM 340 CB CYS A 264 -7.530 1.591 11.202 1.00 0.00 C ATOM 341 SG CYS A 264 -6.530 0.083 11.267 1.00 0.00 S ATOM 0 H CYS A 264 -8.861 3.544 12.180 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.252 2.261 12.776 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.547 1.363 11.522 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.591 1.938 10.171 1.00 0.00 H new ATOM 0 HG CYS A 264 -7.299 -0.954 11.114 1.00 0.00 H new ATOM 346 N GLY A 265 -6.739 4.142 10.102 1.00 0.00 N ATOM 347 CA GLY A 265 -6.118 5.055 9.148 1.00 0.00 C ATOM 348 C GLY A 265 -4.790 4.535 8.590 1.00 0.00 C ATOM 349 O GLY A 265 -4.018 5.312 8.029 1.00 0.00 O ATOM 0 H GLY A 265 -7.645 3.794 9.787 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.807 5.231 8.322 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -5.949 6.017 9.633 1.00 0.00 H new ATOM 353 N LYS A 266 -4.513 3.238 8.753 1.00 0.00 N ATOM 354 CA LYS A 266 -3.244 2.608 8.389 1.00 0.00 C ATOM 355 C LYS A 266 -3.109 2.415 6.879 1.00 0.00 C ATOM 356 O LYS A 266 -4.086 2.068 6.212 1.00 0.00 O ATOM 357 CB LYS A 266 -3.120 1.250 9.085 1.00 0.00 C ATOM 358 CG LYS A 266 -3.012 1.374 10.600 1.00 0.00 C ATOM 359 CD LYS A 266 -2.862 -0.037 11.160 1.00 0.00 C ATOM 360 CE LYS A 266 -2.832 -0.032 12.681 1.00 0.00 C ATOM 361 NZ LYS A 266 -4.140 0.371 13.264 1.00 0.00 N ATOM 0 H LYS A 266 -5.184 2.582 9.152 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.445 3.274 8.715 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -3.987 0.638 8.835 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.242 0.730 8.703 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.156 1.990 10.875 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.898 1.858 11.010 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.689 -0.657 10.813 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -1.945 -0.486 10.778 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.565 -1.026 13.041 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -2.056 0.651 13.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -4.252 -0.067 14.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -4.173 1.406 13.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.910 0.056 12.640 1.00 0.00 H new ATOM 375 N TRP A 267 -1.895 2.561 6.351 1.00 0.00 N ATOM 376 CA TRP A 267 -1.577 2.291 4.953 1.00 0.00 C ATOM 377 C TRP A 267 -0.902 0.921 4.819 1.00 0.00 C ATOM 378 O TRP A 267 0.098 0.648 5.487 1.00 0.00 O ATOM 379 CB TRP A 267 -0.712 3.428 4.397 1.00 0.00 C ATOM 380 CG TRP A 267 -1.391 4.762 4.320 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.436 5.682 5.309 1.00 0.00 C ATOM 382 CD2 TRP A 267 -2.129 5.345 3.205 1.00 0.00 C ATOM 383 NE1 TRP A 267 -2.110 6.805 4.870 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.552 6.658 3.572 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.489 4.891 1.921 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.262 7.491 2.691 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.205 5.714 1.031 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.572 7.019 1.404 1.00 0.00 C ATOM 0 H TRP A 267 -1.091 2.876 6.894 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.492 2.252 4.362 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.177 3.525 5.020 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.373 3.152 3.399 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -1.010 5.558 6.293 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.262 7.640 5.436 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.211 3.894 1.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.565 8.481 2.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.474 5.340 0.054 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -4.091 7.657 0.704 1.00 0.00 H new ATOM 399 N ARG A 268 -1.452 0.067 3.949 1.00 0.00 N ATOM 400 CA ARG A 268 -0.912 -1.258 3.618 1.00 0.00 C ATOM 401 C ARG A 268 -0.504 -1.297 2.137 1.00 0.00 C ATOM 402 O ARG A 268 -1.166 -0.670 1.298 1.00 0.00 O ATOM 403 CB ARG A 268 -1.947 -2.362 3.921 1.00 0.00 C ATOM 404 CG ARG A 268 -2.670 -2.302 5.281 1.00 0.00 C ATOM 405 CD ARG A 268 -1.779 -2.349 6.521 1.00 0.00 C ATOM 406 NE ARG A 268 -2.611 -2.546 7.722 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.193 -2.738 8.962 1.00 0.00 C ATOM 408 NH1 ARG A 268 -0.938 -2.598 9.319 1.00 0.00 N ATOM 409 NH2 ARG A 268 -3.064 -3.064 9.880 1.00 0.00 N ATOM 0 H ARG A 268 -2.309 0.284 3.441 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.032 -1.442 4.235 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -2.703 -2.339 3.136 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.442 -3.326 3.850 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.258 -1.385 5.316 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.373 -3.134 5.332 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -1.056 -3.159 6.431 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.211 -1.423 6.608 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.621 -2.533 7.581 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.238 -2.330 8.627 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.663 -2.757 10.288 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -4.049 -3.167 9.635 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.759 -3.216 10.841 1.00 0.00 H new ATOM 423 N ARG A 269 0.580 -2.019 1.830 1.00 0.00 N ATOM 424 CA ARG A 269 1.085 -2.255 0.467 1.00 0.00 C ATOM 425 C ARG A 269 0.245 -3.300 -0.276 1.00 0.00 C ATOM 426 O ARG A 269 -0.323 -4.197 0.345 1.00 0.00 O ATOM 427 CB ARG A 269 2.541 -2.749 0.507 1.00 0.00 C ATOM 428 CG ARG A 269 3.515 -1.700 1.033 1.00 0.00 C ATOM 429 CD ARG A 269 4.979 -2.152 0.942 1.00 0.00 C ATOM 430 NE ARG A 269 5.250 -3.302 1.819 1.00 0.00 N ATOM 431 CZ ARG A 269 5.746 -4.489 1.504 1.00 0.00 C ATOM 432 NH1 ARG A 269 6.053 -4.833 0.269 1.00 0.00 N ATOM 433 NH2 ARG A 269 5.942 -5.360 2.467 1.00 0.00 N ATOM 0 H ARG A 269 1.150 -2.471 2.545 1.00 0.00 H new ATOM 0 HA ARG A 269 1.022 -1.303 -0.060 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.600 -3.638 1.135 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.845 -3.047 -0.496 1.00 0.00 H new ATOM 0 HG2 ARG A 269 3.388 -0.777 0.468 1.00 0.00 H new ATOM 0 HG3 ARG A 269 3.273 -1.474 2.071 1.00 0.00 H new ATOM 0 HD2 ARG A 269 5.214 -2.417 -0.089 1.00 0.00 H new ATOM 0 HD3 ARG A 269 5.633 -1.324 1.215 1.00 0.00 H new ATOM 0 HE ARG A 269 5.025 -3.166 2.805 1.00 0.00 H new ATOM 0 HH11 ARG A 269 5.911 -4.172 -0.495 1.00 0.00 H new ATOM 0 HH12 ARG A 269 6.433 -5.760 0.077 1.00 0.00 H new ATOM 0 HH21 ARG A 269 5.713 -5.115 3.430 1.00 0.00 H new ATOM 0 HH22 ARG A 269 6.323 -6.281 2.252 1.00 0.00 H new ATOM 447 N LEU A 270 0.235 -3.210 -1.609 1.00 0.00 N ATOM 448 CA LEU A 270 -0.468 -4.122 -2.525 1.00 0.00 C ATOM 449 C LEU A 270 0.437 -4.629 -3.658 1.00 0.00 C ATOM 450 O LEU A 270 1.490 -4.053 -3.946 1.00 0.00 O ATOM 451 CB LEU A 270 -1.685 -3.404 -3.132 1.00 0.00 C ATOM 452 CG LEU A 270 -2.791 -2.995 -2.148 1.00 0.00 C ATOM 453 CD1 LEU A 270 -3.900 -2.340 -2.975 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.392 -4.171 -1.360 1.00 0.00 C ATOM 0 H LEU A 270 0.736 -2.471 -2.103 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.783 -4.987 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.334 -2.508 -3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -2.123 -4.054 -3.890 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.353 -2.327 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.711 -2.031 -2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.501 -1.467 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.278 -3.054 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.165 -3.801 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.828 -4.889 -2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.609 -4.658 -0.779 1.00 0.00 H new ATOM 529 N PRO A 276 -5.827 1.005 -7.943 1.00 0.00 N ATOM 530 CA PRO A 276 -6.730 1.625 -6.980 1.00 0.00 C ATOM 531 C PRO A 276 -8.084 2.055 -7.567 1.00 0.00 C ATOM 532 O PRO A 276 -9.018 2.300 -6.805 1.00 0.00 O ATOM 533 CB PRO A 276 -5.945 2.792 -6.378 1.00 0.00 C ATOM 534 CG PRO A 276 -4.931 3.153 -7.457 1.00 0.00 C ATOM 535 CD PRO A 276 -4.623 1.808 -8.106 1.00 0.00 C ATOM 0 HA PRO A 276 -7.025 0.901 -6.220 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.597 3.634 -6.146 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.453 2.505 -5.449 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.342 3.862 -8.175 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -4.037 3.610 -7.033 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.374 1.930 -9.160 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.767 1.331 -7.629 1.00 0.00 H new ATOM 543 N SER A 277 -8.246 2.079 -8.895 1.00 0.00 N ATOM 544 CA SER A 277 -9.538 2.315 -9.558 1.00 0.00 C ATOM 545 C SER A 277 -10.483 1.090 -9.499 1.00 0.00 C ATOM 546 O SER A 277 -11.683 1.235 -9.748 1.00 0.00 O ATOM 547 CB SER A 277 -9.284 2.760 -11.012 1.00 0.00 C ATOM 548 OG SER A 277 -10.414 3.384 -11.617 1.00 0.00 O ATOM 0 H SER A 277 -7.476 1.934 -9.549 1.00 0.00 H new ATOM 0 HA SER A 277 -10.055 3.107 -9.015 1.00 0.00 H new ATOM 0 HB2 SER A 277 -8.442 3.452 -11.031 1.00 0.00 H new ATOM 0 HB3 SER A 277 -8.996 1.892 -11.605 1.00 0.00 H new ATOM 0 HG SER A 277 -11.237 3.001 -11.246 1.00 0.00 H new ATOM 554 N VAL A 278 -9.985 -0.102 -9.119 1.00 0.00 N ATOM 555 CA VAL A 278 -10.788 -1.344 -8.977 1.00 0.00 C ATOM 556 C VAL A 278 -10.871 -1.853 -7.523 1.00 0.00 C ATOM 557 O VAL A 278 -11.118 -3.037 -7.289 1.00 0.00 O ATOM 558 CB VAL A 278 -10.368 -2.457 -9.976 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.504 -1.979 -11.432 1.00 0.00 C ATOM 560 CG2 VAL A 278 -8.949 -3.005 -9.752 1.00 0.00 C ATOM 0 H VAL A 278 -8.999 -0.237 -8.897 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.805 -1.061 -9.251 1.00 0.00 H new ATOM 0 HB VAL A 278 -11.059 -3.278 -9.783 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -10.203 -2.780 -12.107 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.541 -1.708 -11.630 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -9.865 -1.111 -11.591 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.736 -3.777 -10.491 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -8.226 -2.196 -9.854 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -8.877 -3.431 -8.751 1.00 0.00 H new ATOM 570 N LEU A 279 -10.683 -0.962 -6.536 1.00 0.00 N ATOM 571 CA LEU A 279 -10.764 -1.273 -5.099 1.00 0.00 C ATOM 572 C LEU A 279 -11.989 -0.616 -4.418 1.00 0.00 C ATOM 573 O LEU A 279 -12.465 0.425 -4.888 1.00 0.00 O ATOM 574 CB LEU A 279 -9.437 -0.890 -4.416 1.00 0.00 C ATOM 575 CG LEU A 279 -8.255 -1.792 -4.830 1.00 0.00 C ATOM 576 CD1 LEU A 279 -6.953 -1.241 -4.247 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.439 -3.229 -4.311 1.00 0.00 C ATOM 0 H LEU A 279 -10.465 0.018 -6.719 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.916 -2.347 -4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.197 0.145 -4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.564 -0.943 -3.335 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.217 -1.804 -5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -6.122 -1.882 -4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.784 -0.232 -4.623 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -7.023 -1.216 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.590 -3.839 -4.619 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.501 -3.218 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.356 -3.650 -4.723 1.00 0.00 H new ATOM 589 N PRO A 280 -12.515 -1.233 -3.337 1.00 0.00 N ATOM 590 CA PRO A 280 -13.776 -0.857 -2.702 1.00 0.00 C ATOM 591 C PRO A 280 -13.654 0.417 -1.860 1.00 0.00 C ATOM 592 O PRO A 280 -12.605 0.705 -1.286 1.00 0.00 O ATOM 593 CB PRO A 280 -14.172 -2.063 -1.840 1.00 0.00 C ATOM 594 CG PRO A 280 -12.844 -2.736 -1.506 1.00 0.00 C ATOM 595 CD PRO A 280 -11.989 -2.448 -2.727 1.00 0.00 C ATOM 0 HA PRO A 280 -14.533 -0.623 -3.450 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.699 -1.752 -0.938 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.836 -2.738 -2.380 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.401 -2.324 -0.599 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -12.966 -3.807 -1.344 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.944 -2.317 -2.444 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -12.027 -3.280 -3.430 1.00 0.00 H new ATOM 603 N ASP A 281 -14.760 1.160 -1.742 1.00 0.00 N ATOM 604 CA ASP A 281 -14.853 2.392 -0.941 1.00 0.00 C ATOM 605 C ASP A 281 -14.781 2.144 0.580 1.00 0.00 C ATOM 606 O ASP A 281 -14.523 3.071 1.349 1.00 0.00 O ATOM 607 CB ASP A 281 -16.155 3.129 -1.290 1.00 0.00 C ATOM 608 CG ASP A 281 -16.180 3.627 -2.743 1.00 0.00 C ATOM 609 OD1 ASP A 281 -15.544 4.671 -3.028 1.00 0.00 O ATOM 610 OD2 ASP A 281 -16.849 2.985 -3.589 1.00 0.00 O ATOM 0 H ASP A 281 -15.634 0.919 -2.209 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.985 3.001 -1.194 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -17.001 2.463 -1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.280 3.977 -0.617 1.00 0.00 H new ATOM 615 N ASN A 282 -14.957 0.891 1.005 1.00 0.00 N ATOM 616 CA ASN A 282 -14.914 0.425 2.396 1.00 0.00 C ATOM 617 C ASN A 282 -13.760 -0.577 2.621 1.00 0.00 C ATOM 618 O ASN A 282 -13.844 -1.450 3.490 1.00 0.00 O ATOM 619 CB ASN A 282 -16.289 -0.163 2.765 1.00 0.00 C ATOM 620 CG ASN A 282 -17.421 0.854 2.635 1.00 0.00 C ATOM 621 OD1 ASN A 282 -17.447 1.880 3.305 1.00 0.00 O ATOM 622 ND2 ASN A 282 -18.398 0.597 1.780 1.00 0.00 N ATOM 0 H ASN A 282 -15.144 0.130 0.352 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.708 1.265 3.059 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.498 -1.017 2.121 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.257 -0.536 3.789 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -19.173 1.253 1.679 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -18.376 -0.257 1.222 1.00 0.00 H new ATOM 629 N TRP A 283 -12.685 -0.477 1.825 1.00 0.00 N ATOM 630 CA TRP A 283 -11.451 -1.245 2.017 1.00 0.00 C ATOM 631 C TRP A 283 -10.901 -1.088 3.446 1.00 0.00 C ATOM 632 O TRP A 283 -10.876 0.007 3.999 1.00 0.00 O ATOM 633 CB TRP A 283 -10.397 -0.815 0.986 1.00 0.00 C ATOM 634 CG TRP A 283 -9.218 -1.728 0.967 1.00 0.00 C ATOM 635 CD1 TRP A 283 -9.061 -2.789 0.144 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.078 -1.747 1.879 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.925 -3.488 0.509 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.300 -2.904 1.591 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.651 -0.929 2.951 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.167 -3.237 2.343 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.515 -1.256 3.710 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.783 -2.413 3.409 1.00 0.00 C ATOM 0 H TRP A 283 -12.650 0.148 1.020 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.686 -2.299 1.870 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.850 -0.790 -0.005 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.065 0.199 1.210 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.720 -3.050 -0.671 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.592 -4.329 0.038 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.209 -0.036 3.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.594 -4.121 2.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.206 -0.617 4.524 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -4.918 -2.671 4.002 1.00 0.00 H new ATOM 653 N SER A 284 -10.429 -2.171 4.046 1.00 0.00 N ATOM 654 CA SER A 284 -9.865 -2.200 5.400 1.00 0.00 C ATOM 655 C SER A 284 -8.704 -3.194 5.468 1.00 0.00 C ATOM 656 O SER A 284 -8.524 -3.995 4.548 1.00 0.00 O ATOM 657 CB SER A 284 -10.959 -2.567 6.418 1.00 0.00 C ATOM 658 OG SER A 284 -11.503 -3.861 6.169 1.00 0.00 O ATOM 0 H SER A 284 -10.425 -3.086 3.595 1.00 0.00 H new ATOM 0 HA SER A 284 -9.481 -1.210 5.647 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.543 -2.535 7.425 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.756 -1.824 6.379 1.00 0.00 H new ATOM 0 HG SER A 284 -12.193 -4.060 6.836 1.00 0.00 H new ATOM 664 N CYS A 285 -7.935 -3.179 6.561 1.00 0.00 N ATOM 665 CA CYS A 285 -6.832 -4.125 6.782 1.00 0.00 C ATOM 666 C CYS A 285 -7.238 -5.606 6.550 1.00 0.00 C ATOM 667 O CYS A 285 -6.428 -6.409 6.088 1.00 0.00 O ATOM 668 CB CYS A 285 -6.283 -3.974 8.210 1.00 0.00 C ATOM 669 SG CYS A 285 -5.763 -2.286 8.613 1.00 0.00 S ATOM 0 H CYS A 285 -8.059 -2.510 7.321 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.067 -3.877 6.047 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.048 -4.289 8.920 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.435 -4.647 8.337 1.00 0.00 H new ATOM 0 HG CYS A 285 -6.777 -1.481 8.501 1.00 0.00 H new ATOM 674 N ASP A 286 -8.498 -5.971 6.820 1.00 0.00 N ATOM 675 CA ASP A 286 -9.071 -7.308 6.587 1.00 0.00 C ATOM 676 C ASP A 286 -9.150 -7.703 5.092 1.00 0.00 C ATOM 677 O ASP A 286 -9.304 -8.880 4.762 1.00 0.00 O ATOM 678 CB ASP A 286 -10.461 -7.345 7.244 1.00 0.00 C ATOM 679 CG ASP A 286 -11.100 -8.744 7.226 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.601 -9.644 7.944 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.125 -8.929 6.526 1.00 0.00 O ATOM 0 H ASP A 286 -9.173 -5.321 7.222 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.406 -8.047 7.034 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.378 -7.003 8.276 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.119 -6.645 6.729 1.00 0.00 H new ATOM 686 N GLN A 287 -9.012 -6.731 4.188 1.00 0.00 N ATOM 687 CA GLN A 287 -9.078 -6.869 2.729 1.00 0.00 C ATOM 688 C GLN A 287 -7.679 -6.783 2.076 1.00 0.00 C ATOM 689 O GLN A 287 -7.562 -6.612 0.859 1.00 0.00 O ATOM 690 CB GLN A 287 -10.063 -5.805 2.199 1.00 0.00 C ATOM 691 CG GLN A 287 -11.510 -6.098 2.634 1.00 0.00 C ATOM 692 CD GLN A 287 -12.440 -4.900 2.449 1.00 0.00 C ATOM 693 OE1 GLN A 287 -12.918 -4.608 1.360 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.725 -4.151 3.494 1.00 0.00 N ATOM 0 H GLN A 287 -8.841 -5.766 4.471 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.446 -7.859 2.459 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.766 -4.821 2.563 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -10.010 -5.771 1.111 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -11.893 -6.941 2.059 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.516 -6.398 3.682 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.335 -4.381 4.408 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.336 -3.341 3.389 1.00 0.00 H new ATOM 703 N ASN A 288 -6.605 -6.906 2.868 1.00 0.00 N ATOM 704 CA ASN A 288 -5.215 -6.862 2.401 1.00 0.00 C ATOM 705 C ASN A 288 -4.756 -8.145 1.683 1.00 0.00 C ATOM 706 O ASN A 288 -5.269 -9.241 1.935 1.00 0.00 O ATOM 707 CB ASN A 288 -4.290 -6.544 3.590 1.00 0.00 C ATOM 708 CG ASN A 288 -2.941 -5.999 3.140 1.00 0.00 C ATOM 709 OD1 ASN A 288 -2.865 -5.129 2.287 1.00 0.00 O ATOM 710 ND2 ASN A 288 -1.842 -6.519 3.653 1.00 0.00 N ATOM 0 H ASN A 288 -6.682 -7.042 3.876 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.156 -6.073 1.651 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.775 -5.817 4.241 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.136 -7.447 4.180 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -0.928 -6.194 3.337 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -1.906 -7.246 4.366 1.00 0.00 H new ATOM 717 N THR A 289 -3.740 -8.005 0.820 1.00 0.00 N ATOM 718 CA THR A 289 -3.121 -9.095 0.043 1.00 0.00 C ATOM 719 C THR A 289 -1.971 -9.784 0.769 1.00 0.00 C ATOM 720 O THR A 289 -1.555 -10.866 0.360 1.00 0.00 O ATOM 721 CB THR A 289 -2.641 -8.567 -1.313 1.00 0.00 C ATOM 722 OG1 THR A 289 -1.828 -7.425 -1.131 1.00 0.00 O ATOM 723 CG2 THR A 289 -3.828 -8.161 -2.180 1.00 0.00 C ATOM 0 H THR A 289 -3.309 -7.099 0.635 1.00 0.00 H new ATOM 0 HA THR A 289 -3.895 -9.850 -0.098 1.00 0.00 H new ATOM 0 HB THR A 289 -2.077 -9.363 -1.799 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.525 -7.097 -2.003 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.468 -7.789 -3.139 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.471 -9.026 -2.345 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.395 -7.378 -1.677 1.00 0.00 H new ATOM 731 N ASP A 290 -1.472 -9.184 1.851 1.00 0.00 N ATOM 732 CA ASP A 290 -0.315 -9.650 2.616 1.00 0.00 C ATOM 733 C ASP A 290 -0.711 -10.027 4.052 1.00 0.00 C ATOM 734 O ASP A 290 -1.142 -9.177 4.834 1.00 0.00 O ATOM 735 CB ASP A 290 0.787 -8.569 2.596 1.00 0.00 C ATOM 736 CG ASP A 290 2.128 -9.127 2.090 1.00 0.00 C ATOM 737 OD1 ASP A 290 2.538 -10.212 2.566 1.00 0.00 O ATOM 738 OD2 ASP A 290 2.758 -8.485 1.216 1.00 0.00 O ATOM 0 H ASP A 290 -1.877 -8.329 2.232 1.00 0.00 H new ATOM 0 HA ASP A 290 0.076 -10.554 2.150 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.474 -7.743 1.958 1.00 0.00 H new ATOM 0 HB3 ASP A 290 0.917 -8.165 3.600 1.00 0.00 H new ATOM 743 N VAL A 291 -0.540 -11.306 4.402 1.00 0.00 N ATOM 744 CA VAL A 291 -0.980 -11.903 5.686 1.00 0.00 C ATOM 745 C VAL A 291 -0.238 -11.353 6.910 1.00 0.00 C ATOM 746 O VAL A 291 -0.706 -11.481 8.040 1.00 0.00 O ATOM 747 CB VAL A 291 -0.859 -13.446 5.691 1.00 0.00 C ATOM 748 CG1 VAL A 291 -1.715 -14.061 4.574 1.00 0.00 C ATOM 749 CG2 VAL A 291 0.601 -13.923 5.556 1.00 0.00 C ATOM 0 H VAL A 291 -0.080 -11.980 3.790 1.00 0.00 H new ATOM 0 HA VAL A 291 -2.028 -11.615 5.765 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.227 -13.786 6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -1.616 -15.146 4.595 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -2.760 -13.789 4.725 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.378 -13.685 3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 291 0.630 -15.013 5.565 1.00 0.00 H new ATOM 0 HG22 VAL A 291 1.018 -13.557 4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.188 -13.538 6.389 1.00 0.00 H new ATOM 759 N GLN A 292 0.912 -10.719 6.676 1.00 0.00 N ATOM 760 CA GLN A 292 1.723 -10.047 7.688 1.00 0.00 C ATOM 761 C GLN A 292 1.075 -8.760 8.218 1.00 0.00 C ATOM 762 O GLN A 292 1.448 -8.304 9.297 1.00 0.00 O ATOM 763 CB GLN A 292 3.146 -9.804 7.150 1.00 0.00 C ATOM 764 CG GLN A 292 3.237 -9.485 5.649 1.00 0.00 C ATOM 765 CD GLN A 292 4.607 -8.957 5.214 1.00 0.00 C ATOM 766 OE1 GLN A 292 4.740 -7.872 4.664 1.00 0.00 O ATOM 767 NE2 GLN A 292 5.680 -9.693 5.433 1.00 0.00 N ATOM 0 H GLN A 292 1.317 -10.658 5.742 1.00 0.00 H new ATOM 0 HA GLN A 292 1.789 -10.710 8.550 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.591 -8.980 7.707 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.749 -10.689 7.354 1.00 0.00 H new ATOM 0 HG2 GLN A 292 3.008 -10.386 5.080 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.476 -8.747 5.397 1.00 0.00 H new ATOM 0 HE21 GLN A 292 5.591 -10.601 5.890 1.00 0.00 H new ATOM 0 HE22 GLN A 292 6.598 -9.354 5.145 1.00 0.00 H new ATOM 776 N TYR A 293 0.083 -8.209 7.507 1.00 0.00 N ATOM 777 CA TYR A 293 -0.632 -6.976 7.880 1.00 0.00 C ATOM 778 C TYR A 293 -2.136 -7.017 7.528 1.00 0.00 C ATOM 779 O TYR A 293 -2.767 -5.981 7.316 1.00 0.00 O ATOM 780 CB TYR A 293 0.086 -5.754 7.277 1.00 0.00 C ATOM 781 CG TYR A 293 1.515 -5.547 7.746 1.00 0.00 C ATOM 782 CD1 TYR A 293 1.765 -4.785 8.902 1.00 0.00 C ATOM 783 CD2 TYR A 293 2.591 -6.129 7.053 1.00 0.00 C ATOM 784 CE1 TYR A 293 3.080 -4.594 9.362 1.00 0.00 C ATOM 785 CE2 TYR A 293 3.909 -5.968 7.518 1.00 0.00 C ATOM 786 CZ TYR A 293 4.160 -5.193 8.675 1.00 0.00 C ATOM 787 OH TYR A 293 5.432 -5.022 9.131 1.00 0.00 O ATOM 0 H TYR A 293 -0.255 -8.616 6.635 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.605 -6.889 8.966 1.00 0.00 H new ATOM 0 HB2 TYR A 293 0.088 -5.853 6.191 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.491 -4.860 7.515 1.00 0.00 H new ATOM 0 HD1 TYR A 293 0.940 -4.343 9.441 1.00 0.00 H new ATOM 0 HD2 TYR A 293 2.405 -6.704 6.158 1.00 0.00 H new ATOM 0 HE1 TYR A 293 3.264 -3.991 10.239 1.00 0.00 H new ATOM 0 HE2 TYR A 293 4.728 -6.436 6.992 1.00 0.00 H new ATOM 0 HH TYR A 293 6.056 -5.500 8.546 1.00 0.00 H new ATOM 797 N ASN A 294 -2.730 -8.216 7.471 1.00 0.00 N ATOM 798 CA ASN A 294 -4.126 -8.439 7.058 1.00 0.00 C ATOM 799 C ASN A 294 -5.173 -8.267 8.186 1.00 0.00 C ATOM 800 O ASN A 294 -6.281 -8.800 8.094 1.00 0.00 O ATOM 801 CB ASN A 294 -4.256 -9.787 6.329 1.00 0.00 C ATOM 802 CG ASN A 294 -4.227 -11.009 7.251 1.00 0.00 C ATOM 803 OD1 ASN A 294 -3.826 -10.952 8.408 1.00 0.00 O ATOM 804 ND2 ASN A 294 -4.663 -12.156 6.760 1.00 0.00 N ATOM 0 H ASN A 294 -2.244 -9.079 7.716 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.370 -7.638 6.360 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.189 -9.794 5.766 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.446 -9.874 5.604 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -4.666 -12.993 7.344 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -4.997 -12.205 5.797 1.00 0.00 H new ATOM 811 N ARG A 295 -4.816 -7.553 9.261 1.00 0.00 N ATOM 812 CA ARG A 295 -5.665 -7.299 10.431 1.00 0.00 C ATOM 813 C ARG A 295 -5.463 -5.893 10.989 1.00 0.00 C ATOM 814 O ARG A 295 -4.335 -5.431 11.157 1.00 0.00 O ATOM 815 CB ARG A 295 -5.336 -8.314 11.535 1.00 0.00 C ATOM 816 CG ARG A 295 -6.195 -9.577 11.452 1.00 0.00 C ATOM 817 CD ARG A 295 -5.735 -10.564 12.527 1.00 0.00 C ATOM 818 NE ARG A 295 -6.628 -11.732 12.606 1.00 0.00 N ATOM 819 CZ ARG A 295 -6.500 -12.766 13.432 1.00 0.00 C ATOM 820 NH1 ARG A 295 -5.513 -12.848 14.300 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.377 -13.744 13.393 1.00 0.00 N ATOM 0 H ARG A 295 -3.895 -7.121 9.343 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.702 -7.397 10.109 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.284 -8.590 11.467 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.480 -7.845 12.508 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.246 -9.327 11.595 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.106 -10.028 10.464 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -4.720 -10.895 12.308 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -5.705 -10.062 13.494 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.421 -11.750 11.965 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -4.817 -12.104 14.353 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -5.444 -13.655 14.919 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.152 -13.708 12.731 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.283 -14.539 14.025 1.00 0.00 H new ATOM 835 N CYS A 296 -6.567 -5.275 11.395 1.00 0.00 N ATOM 836 CA CYS A 296 -6.626 -3.974 12.059 1.00 0.00 C ATOM 837 C CYS A 296 -5.927 -3.904 13.434 1.00 0.00 C ATOM 838 O CYS A 296 -5.647 -2.816 13.941 1.00 0.00 O ATOM 839 CB CYS A 296 -8.113 -3.642 12.200 1.00 0.00 C ATOM 840 SG CYS A 296 -8.696 -2.792 10.710 1.00 0.00 S ATOM 0 H CYS A 296 -7.491 -5.686 11.264 1.00 0.00 H new ATOM 0 HA CYS A 296 -6.077 -3.254 11.453 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.686 -4.556 12.356 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.273 -3.012 13.075 1.00 0.00 H new ATOM 0 HG CYS A 296 -7.684 -2.521 9.941 1.00 0.00 H new ATOM 845 N ASP A 297 -5.620 -5.059 14.024 1.00 0.00 N ATOM 846 CA ASP A 297 -4.939 -5.190 15.313 1.00 0.00 C ATOM 847 C ASP A 297 -3.413 -5.291 15.129 1.00 0.00 C ATOM 848 O ASP A 297 -2.661 -5.384 16.098 1.00 0.00 O ATOM 849 CB ASP A 297 -5.552 -6.396 16.034 1.00 0.00 C ATOM 850 CG ASP A 297 -5.111 -6.519 17.503 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.384 -5.585 18.295 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.533 -7.570 17.872 1.00 0.00 O ATOM 0 H ASP A 297 -5.846 -5.960 13.604 1.00 0.00 H new ATOM 0 HA ASP A 297 -5.085 -4.303 15.929 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.639 -6.320 15.994 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.276 -7.307 15.502 1.00 0.00 H new ATOM 857 N ILE A 298 -2.951 -5.242 13.872 1.00 0.00 N ATOM 858 CA ILE A 298 -1.538 -5.242 13.494 1.00 0.00 C ATOM 859 C ILE A 298 -1.101 -3.796 13.219 1.00 0.00 C ATOM 860 O ILE A 298 -1.779 -3.102 12.447 1.00 0.00 O ATOM 861 CB ILE A 298 -1.268 -6.146 12.272 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.802 -7.566 12.556 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.236 -6.175 11.967 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.555 -8.582 11.436 1.00 0.00 C ATOM 0 H ILE A 298 -3.575 -5.200 13.066 1.00 0.00 H new ATOM 0 HA ILE A 298 -0.953 -5.653 14.317 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.784 -5.749 11.398 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.340 -7.936 13.471 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -2.874 -7.505 12.742 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.420 -6.815 11.104 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.583 -5.165 11.751 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.775 -6.566 12.830 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -1.965 -9.550 11.726 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -2.041 -8.241 10.522 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.483 -8.679 11.263 1.00 0.00 H new ATOM 876 N PRO A 299 0.029 -3.352 13.798 1.00 0.00 N ATOM 877 CA PRO A 299 0.553 -2.001 13.641 1.00 0.00 C ATOM 878 C PRO A 299 0.922 -1.689 12.188 1.00 0.00 C ATOM 879 O PRO A 299 1.122 -2.588 11.374 1.00 0.00 O ATOM 880 CB PRO A 299 1.770 -1.939 14.565 1.00 0.00 C ATOM 881 CG PRO A 299 2.236 -3.386 14.692 1.00 0.00 C ATOM 882 CD PRO A 299 0.927 -4.161 14.610 1.00 0.00 C ATOM 0 HA PRO A 299 -0.192 -1.250 13.902 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.553 -1.306 14.146 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.508 -1.521 15.537 1.00 0.00 H new ATOM 0 HG2 PRO A 299 2.923 -3.663 13.892 1.00 0.00 H new ATOM 0 HG3 PRO A 299 2.755 -3.564 15.634 1.00 0.00 H new ATOM 0 HD2 PRO A 299 1.082 -5.142 14.160 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.510 -4.328 15.603 1.00 0.00 H new ATOM 890 N GLU A 300 1.003 -0.399 11.858 1.00 0.00 N ATOM 891 CA GLU A 300 1.362 0.081 10.534 1.00 0.00 C ATOM 892 C GLU A 300 2.808 -0.311 10.168 1.00 0.00 C ATOM 893 O GLU A 300 3.725 -0.199 10.988 1.00 0.00 O ATOM 894 CB GLU A 300 1.153 1.604 10.503 1.00 0.00 C ATOM 895 CG GLU A 300 0.838 2.044 9.079 1.00 0.00 C ATOM 896 CD GLU A 300 0.811 3.568 8.896 1.00 0.00 C ATOM 897 OE1 GLU A 300 1.739 4.271 9.362 1.00 0.00 O ATOM 898 OE2 GLU A 300 -0.145 4.057 8.255 1.00 0.00 O ATOM 0 H GLU A 300 0.816 0.352 12.522 1.00 0.00 H new ATOM 0 HA GLU A 300 0.725 -0.386 9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.338 1.884 11.170 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.048 2.112 10.863 1.00 0.00 H new ATOM 0 HG2 GLU A 300 1.581 1.619 8.404 1.00 0.00 H new ATOM 0 HG3 GLU A 300 -0.129 1.635 8.787 1.00 0.00 H new ATOM 1027 N ARG B 2 -9.095 5.893 1.105 1.00 0.00 N ATOM 1028 CA ARG B 2 -8.037 6.604 0.362 1.00 0.00 C ATOM 1029 C ARG B 2 -7.033 5.632 -0.264 1.00 0.00 C ATOM 1030 O ARG B 2 -6.786 4.539 0.254 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.286 7.627 1.232 1.00 0.00 C ATOM 1032 CG ARG B 2 -8.104 8.903 1.468 1.00 0.00 C ATOM 1033 CD ARG B 2 -7.270 9.962 2.202 1.00 0.00 C ATOM 1034 NE ARG B 2 -8.014 11.225 2.357 1.00 0.00 N ATOM 1035 CZ ARG B 2 -8.067 12.233 1.490 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -7.441 12.200 0.331 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -8.767 13.308 1.783 1.00 0.00 N ATOM 0 HA ARG B 2 -8.550 7.147 -0.432 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -7.040 7.173 2.192 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.343 7.887 0.751 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -8.446 9.302 0.513 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -8.994 8.666 2.052 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -6.984 9.585 3.184 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.348 10.147 1.650 1.00 0.00 H new ATOM 0 HE ARG B 2 -8.545 11.338 3.221 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -6.891 11.381 0.071 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -7.506 12.993 -0.307 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -9.265 13.366 2.671 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -8.811 14.084 1.122 1.00 0.00 H new ATOM 1051 N THR B 3 -6.427 6.084 -1.362 1.00 0.00 N ATOM 1052 CA THR B 3 -5.420 5.380 -2.164 1.00 0.00 C ATOM 1053 C THR B 3 -4.337 6.355 -2.601 1.00 0.00 C ATOM 1054 O THR B 3 -4.591 7.544 -2.797 1.00 0.00 O ATOM 1055 CB THR B 3 -6.045 4.699 -3.390 1.00 0.00 C ATOM 1056 OG1 THR B 3 -6.929 5.571 -4.064 1.00 0.00 O ATOM 1057 CG2 THR B 3 -6.797 3.426 -3.008 1.00 0.00 C ATOM 0 H THR B 3 -6.637 7.008 -1.740 1.00 0.00 H new ATOM 0 HA THR B 3 -4.980 4.600 -1.543 1.00 0.00 H new ATOM 0 HB THR B 3 -5.221 4.436 -4.053 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.430 5.070 -4.741 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.225 2.974 -3.903 1.00 0.00 H new ATOM 0 HG22 THR B 3 -6.108 2.723 -2.540 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.596 3.671 -2.308 1.00 0.00 H new