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= 0.462 USER MOD Set 1.2: A 287 GLN : amide:sc= 1.08 K(o=1.5,f=1) USER MOD Set 2.1: A 259 CYS SG : rot -176:sc= 1.17 USER MOD Set 2.2: A 264 CYS SG : rot 148:sc= 1.74 USER MOD Set 2.3: A 266 LYS NZ :NH3+ -106:sc= 0.73 (180deg=-0.0144) USER MOD Set 2.4: A 285 CYS SG : rot 60:sc= 3.08 USER MOD Set 2.5: A 296 CYS SG : rot -11:sc= 1.17 USER MOD Single : A 258 GLN : amide:sc= 0.643 K(o=0.64,f=-0.89) USER MOD Single : A 260 SER OG : rot -170:sc= 0 USER MOD Single : A 263 ASN : amide:sc= 0.0486 K(o=0.049,f=-1.2) USER MOD Single : A 277 SER OG : rot -38:sc= 0.00499 USER MOD Single : A 282 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 288 ASN : amide:sc= -0.323 X(o=-0.32,f=-0.37) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0.00359 USER MOD Single : A 292 GLN : amide:sc= 1.07 K(o=1.1,f=-0.31) USER MOD Single : A 293 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 ASN : amide:sc= -0.0824 K(o=-0.082,f=-0.91) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 194 N VAL A 255 1.652 0.941 -4.789 1.00 0.00 N ATOM 195 CA VAL A 255 0.321 1.394 -4.349 1.00 0.00 C ATOM 196 C VAL A 255 0.154 1.121 -2.852 1.00 0.00 C ATOM 197 O VAL A 255 0.485 0.035 -2.368 1.00 0.00 O ATOM 198 CB VAL A 255 -0.813 0.695 -5.143 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.205 1.229 -4.754 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.646 0.852 -6.667 1.00 0.00 C ATOM 0 HA VAL A 255 0.249 2.465 -4.540 1.00 0.00 H new ATOM 0 HB VAL A 255 -0.738 -0.360 -4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -2.969 0.711 -5.335 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.377 1.056 -3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.255 2.298 -4.960 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.465 0.345 -7.177 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.656 1.910 -6.927 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.302 0.412 -6.976 1.00 0.00 H new ATOM 210 N TRP A 256 -0.399 2.106 -2.141 1.00 0.00 N ATOM 211 CA TRP A 256 -0.758 2.031 -0.726 1.00 0.00 C ATOM 212 C TRP A 256 -2.247 2.371 -0.531 1.00 0.00 C ATOM 213 O TRP A 256 -2.769 3.298 -1.156 1.00 0.00 O ATOM 214 CB TRP A 256 0.124 2.997 0.077 1.00 0.00 C ATOM 215 CG TRP A 256 1.577 2.661 0.201 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.543 3.006 -0.680 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.260 1.953 1.282 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.771 2.578 -0.214 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.657 1.918 0.989 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.845 1.344 2.488 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.592 1.308 1.839 1.00 0.00 C ATOM 222 CZ3 TRP A 256 2.770 0.701 3.331 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.140 0.685 3.014 1.00 0.00 C ATOM 0 H TRP A 256 -0.617 3.013 -2.553 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.593 1.015 -0.367 1.00 0.00 H new ATOM 0 HB2 TRP A 256 0.044 3.984 -0.379 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.291 3.075 1.082 1.00 0.00 H new ATOM 0 HD1 TRP A 256 2.379 3.536 -1.607 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.654 2.732 -0.701 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.802 1.373 2.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.644 1.317 1.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.424 0.215 4.231 1.00 0.00 H new ATOM 0 HH2 TRP A 256 4.842 0.195 3.672 1.00 0.00 H new ATOM 234 N VAL A 257 -2.912 1.638 0.365 1.00 0.00 N ATOM 235 CA VAL A 257 -4.359 1.753 0.659 1.00 0.00 C ATOM 236 C VAL A 257 -4.600 2.059 2.134 1.00 0.00 C ATOM 237 O VAL A 257 -4.040 1.385 2.995 1.00 0.00 O ATOM 238 CB VAL A 257 -5.136 0.464 0.299 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.545 0.474 -1.170 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.360 -0.829 0.597 1.00 0.00 C ATOM 0 H VAL A 257 -2.452 0.923 0.928 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.725 2.573 0.041 1.00 0.00 H new ATOM 0 HB VAL A 257 -6.018 0.466 0.940 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.090 -0.441 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.184 1.336 -1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.654 0.534 -1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -4.968 -1.690 0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.434 -0.838 0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -4.128 -0.877 1.661 1.00 0.00 H new ATOM 250 N GLN A 258 -5.429 3.067 2.419 1.00 0.00 N ATOM 251 CA GLN A 258 -5.778 3.472 3.781 1.00 0.00 C ATOM 252 C GLN A 258 -7.059 2.774 4.252 1.00 0.00 C ATOM 253 O GLN A 258 -8.090 2.821 3.573 1.00 0.00 O ATOM 254 CB GLN A 258 -5.917 4.998 3.876 1.00 0.00 C ATOM 255 CG GLN A 258 -6.008 5.486 5.334 1.00 0.00 C ATOM 256 CD GLN A 258 -5.898 7.008 5.465 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.498 7.782 4.727 1.00 0.00 O ATOM 258 NE2 GLN A 258 -5.134 7.498 6.419 1.00 0.00 N ATOM 0 H GLN A 258 -5.882 3.631 1.700 1.00 0.00 H new ATOM 0 HA GLN A 258 -4.968 3.164 4.442 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -5.063 5.470 3.390 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.808 5.314 3.333 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.955 5.158 5.762 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.215 5.019 5.918 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.628 6.868 7.041 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -5.048 8.508 6.536 1.00 0.00 H new ATOM 267 N CYS A 259 -6.984 2.174 5.441 1.00 0.00 N ATOM 268 CA CYS A 259 -8.088 1.519 6.136 1.00 0.00 C ATOM 269 C CYS A 259 -9.310 2.450 6.299 1.00 0.00 C ATOM 270 O CYS A 259 -9.178 3.624 6.662 1.00 0.00 O ATOM 271 CB CYS A 259 -7.543 1.060 7.493 1.00 0.00 C ATOM 272 SG CYS A 259 -8.683 -0.125 8.255 1.00 0.00 S ATOM 0 H CYS A 259 -6.112 2.131 5.968 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.450 0.671 5.555 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.563 0.601 7.363 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.408 1.920 8.149 1.00 0.00 H new ATOM 0 HG CYS A 259 -8.257 -0.435 9.443 1.00 0.00 H new ATOM 277 N SER A 260 -10.510 1.931 6.032 1.00 0.00 N ATOM 278 CA SER A 260 -11.760 2.708 6.118 1.00 0.00 C ATOM 279 C SER A 260 -12.133 3.100 7.564 1.00 0.00 C ATOM 280 O SER A 260 -12.796 4.121 7.782 1.00 0.00 O ATOM 281 CB SER A 260 -12.915 1.985 5.416 1.00 0.00 C ATOM 282 OG SER A 260 -14.037 2.841 5.257 1.00 0.00 O ATOM 0 H SER A 260 -10.649 0.961 5.750 1.00 0.00 H new ATOM 0 HA SER A 260 -11.575 3.644 5.590 1.00 0.00 H new ATOM 0 HB2 SER A 260 -12.585 1.629 4.440 1.00 0.00 H new ATOM 0 HB3 SER A 260 -13.203 1.107 5.995 1.00 0.00 H new ATOM 0 HG SER A 260 -14.808 2.317 4.954 1.00 0.00 H new ATOM 288 N PHE A 261 -11.672 2.347 8.573 1.00 0.00 N ATOM 289 CA PHE A 261 -11.913 2.672 9.976 1.00 0.00 C ATOM 290 C PHE A 261 -11.102 3.898 10.440 1.00 0.00 C ATOM 291 O PHE A 261 -9.893 3.963 10.194 1.00 0.00 O ATOM 292 CB PHE A 261 -11.615 1.465 10.864 1.00 0.00 C ATOM 293 CG PHE A 261 -12.553 0.294 10.677 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.890 0.388 11.106 1.00 0.00 C ATOM 295 CD2 PHE A 261 -12.082 -0.899 10.100 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.755 -0.710 10.946 1.00 0.00 C ATOM 297 CE2 PHE A 261 -12.942 -1.999 9.954 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.282 -1.904 10.371 1.00 0.00 C ATOM 0 H PHE A 261 -11.123 1.498 8.434 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.968 2.931 10.070 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.596 1.131 10.669 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.653 1.780 11.907 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -14.251 1.301 11.557 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -11.057 -0.969 9.769 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.784 -0.636 11.265 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.575 -2.918 9.522 1.00 0.00 H new ATOM 0 HZ PHE A 261 -14.947 -2.746 10.250 1.00 0.00 H new ATOM 308 N PRO A 262 -11.739 4.838 11.164 1.00 0.00 N ATOM 309 CA PRO A 262 -11.113 6.068 11.644 1.00 0.00 C ATOM 310 C PRO A 262 -10.129 5.819 12.794 1.00 0.00 C ATOM 311 O PRO A 262 -9.124 6.515 12.909 1.00 0.00 O ATOM 312 CB PRO A 262 -12.289 6.932 12.102 1.00 0.00 C ATOM 313 CG PRO A 262 -13.348 5.927 12.552 1.00 0.00 C ATOM 314 CD PRO A 262 -13.134 4.775 11.580 1.00 0.00 C ATOM 0 HA PRO A 262 -10.514 6.542 10.867 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -12.000 7.596 12.917 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.658 7.562 11.293 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -13.202 5.618 13.587 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -14.355 6.338 12.481 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.354 3.820 12.056 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.799 4.864 10.721 1.00 0.00 H new ATOM 322 N ASN A 263 -10.390 4.794 13.614 1.00 0.00 N ATOM 323 CA ASN A 263 -9.502 4.324 14.684 1.00 0.00 C ATOM 324 C ASN A 263 -8.298 3.503 14.167 1.00 0.00 C ATOM 325 O ASN A 263 -7.416 3.140 14.950 1.00 0.00 O ATOM 326 CB ASN A 263 -10.331 3.533 15.708 1.00 0.00 C ATOM 327 CG ASN A 263 -10.964 2.279 15.110 1.00 0.00 C ATOM 328 OD1 ASN A 263 -11.987 2.345 14.440 1.00 0.00 O ATOM 329 ND2 ASN A 263 -10.371 1.116 15.314 1.00 0.00 N ATOM 0 H ASN A 263 -11.252 4.252 13.549 1.00 0.00 H new ATOM 0 HA ASN A 263 -9.061 5.198 15.163 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.693 3.249 16.545 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -11.115 4.175 16.109 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -10.765 0.265 14.912 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -9.519 1.069 15.873 1.00 0.00 H new ATOM 336 N CYS A 264 -8.256 3.233 12.857 1.00 0.00 N ATOM 337 CA CYS A 264 -7.129 2.646 12.138 1.00 0.00 C ATOM 338 C CYS A 264 -6.395 3.764 11.381 1.00 0.00 C ATOM 339 O CYS A 264 -5.378 4.275 11.858 1.00 0.00 O ATOM 340 CB CYS A 264 -7.652 1.537 11.210 1.00 0.00 C ATOM 341 SG CYS A 264 -6.594 0.069 11.237 1.00 0.00 S ATOM 0 H CYS A 264 -9.047 3.429 12.244 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.413 2.185 12.819 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.662 1.260 11.511 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.716 1.918 10.191 1.00 0.00 H new ATOM 0 HG CYS A 264 -7.321 -0.993 11.057 1.00 0.00 H new ATOM 346 N GLY A 265 -6.910 4.134 10.198 1.00 0.00 N ATOM 347 CA GLY A 265 -6.275 5.069 9.278 1.00 0.00 C ATOM 348 C GLY A 265 -4.923 4.574 8.759 1.00 0.00 C ATOM 349 O GLY A 265 -4.159 5.361 8.199 1.00 0.00 O ATOM 0 H GLY A 265 -7.802 3.778 9.853 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.940 5.246 8.432 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -6.137 6.026 9.780 1.00 0.00 H new ATOM 353 N LYS A 266 -4.614 3.285 8.951 1.00 0.00 N ATOM 354 CA LYS A 266 -3.337 2.678 8.580 1.00 0.00 C ATOM 355 C LYS A 266 -3.218 2.508 7.065 1.00 0.00 C ATOM 356 O LYS A 266 -4.200 2.174 6.398 1.00 0.00 O ATOM 357 CB LYS A 266 -3.175 1.312 9.260 1.00 0.00 C ATOM 358 CG LYS A 266 -3.108 1.391 10.784 1.00 0.00 C ATOM 359 CD LYS A 266 -2.868 -0.023 11.323 1.00 0.00 C ATOM 360 CE LYS A 266 -2.756 -0.036 12.840 1.00 0.00 C ATOM 361 NZ LYS A 266 -4.061 0.264 13.489 1.00 0.00 N ATOM 0 H LYS A 266 -5.262 2.624 9.379 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.547 3.349 8.916 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -4.010 0.672 8.974 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.267 0.836 8.889 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.305 2.059 11.096 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -4.036 1.799 11.185 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.685 -0.674 11.013 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -1.955 -0.428 10.887 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.401 -1.012 13.171 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -2.014 0.697 13.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -4.042 1.229 13.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -4.824 0.187 12.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.230 -0.415 14.259 1.00 0.00 H new ATOM 375 N TRP A 267 -2.009 2.672 6.528 1.00 0.00 N ATOM 376 CA TRP A 267 -1.699 2.372 5.136 1.00 0.00 C ATOM 377 C TRP A 267 -1.109 0.962 5.035 1.00 0.00 C ATOM 378 O TRP A 267 -0.168 0.633 5.755 1.00 0.00 O ATOM 379 CB TRP A 267 -0.750 3.445 4.588 1.00 0.00 C ATOM 380 CG TRP A 267 -1.333 4.822 4.539 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.274 5.741 5.529 1.00 0.00 C ATOM 382 CD2 TRP A 267 -2.084 5.452 3.458 1.00 0.00 C ATOM 383 NE1 TRP A 267 -1.920 6.895 5.131 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.433 6.776 3.857 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.512 5.031 2.182 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.150 7.645 3.021 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.234 5.893 1.336 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.537 7.204 1.744 1.00 0.00 C ATOM 0 H TRP A 267 -1.210 3.021 7.057 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.603 2.389 4.528 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.149 3.466 5.204 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.440 3.159 3.583 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -0.795 5.595 6.486 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.007 7.732 5.708 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.282 4.030 1.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.402 8.641 3.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.558 5.545 0.366 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -4.066 7.870 1.078 1.00 0.00 H new ATOM 399 N ARG A 268 -1.651 0.130 4.142 1.00 0.00 N ATOM 400 CA ARG A 268 -1.093 -1.186 3.804 1.00 0.00 C ATOM 401 C ARG A 268 -0.597 -1.186 2.358 1.00 0.00 C ATOM 402 O ARG A 268 -1.156 -0.489 1.501 1.00 0.00 O ATOM 403 CB ARG A 268 -2.114 -2.314 4.022 1.00 0.00 C ATOM 404 CG ARG A 268 -2.827 -2.317 5.385 1.00 0.00 C ATOM 405 CD ARG A 268 -1.893 -2.360 6.591 1.00 0.00 C ATOM 406 NE ARG A 268 -2.679 -2.539 7.818 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.211 -2.694 9.042 1.00 0.00 C ATOM 408 NH1 ARG A 268 -0.948 -2.516 9.356 1.00 0.00 N ATOM 409 NH2 ARG A 268 -3.042 -3.026 9.990 1.00 0.00 N ATOM 0 H ARG A 268 -2.502 0.353 3.625 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.254 -1.375 4.473 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -2.869 -2.252 3.238 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.604 -3.269 3.898 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.450 -1.425 5.456 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.495 -3.177 5.429 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -1.180 -3.177 6.482 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.315 -1.438 6.649 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.694 -2.544 7.713 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.277 -2.245 8.637 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.638 -2.649 10.319 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -4.031 -3.160 9.778 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.704 -3.152 10.944 1.00 0.00 H new ATOM 423 N ARG A 269 0.466 -1.955 2.118 1.00 0.00 N ATOM 424 CA ARG A 269 1.144 -2.077 0.826 1.00 0.00 C ATOM 425 C ARG A 269 0.494 -3.175 -0.029 1.00 0.00 C ATOM 426 O ARG A 269 0.182 -4.250 0.486 1.00 0.00 O ATOM 427 CB ARG A 269 2.628 -2.403 1.074 1.00 0.00 C ATOM 428 CG ARG A 269 3.513 -1.843 -0.046 1.00 0.00 C ATOM 429 CD ARG A 269 4.703 -2.745 -0.387 1.00 0.00 C ATOM 430 NE ARG A 269 4.263 -3.900 -1.191 1.00 0.00 N ATOM 431 CZ ARG A 269 4.826 -5.097 -1.281 1.00 0.00 C ATOM 432 NH1 ARG A 269 5.896 -5.434 -0.592 1.00 0.00 N ATOM 433 NH2 ARG A 269 4.294 -5.975 -2.100 1.00 0.00 N ATOM 0 H ARG A 269 0.894 -2.530 2.843 1.00 0.00 H new ATOM 0 HA ARG A 269 1.057 -1.136 0.283 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.940 -1.985 2.031 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.760 -3.483 1.140 1.00 0.00 H new ATOM 0 HG2 ARG A 269 2.907 -1.699 -0.941 1.00 0.00 H new ATOM 0 HG3 ARG A 269 3.883 -0.861 0.250 1.00 0.00 H new ATOM 0 HD2 ARG A 269 5.452 -2.176 -0.937 1.00 0.00 H new ATOM 0 HD3 ARG A 269 5.178 -3.093 0.530 1.00 0.00 H new ATOM 0 HE ARG A 269 3.420 -3.761 -1.748 1.00 0.00 H new ATOM 0 HH11 ARG A 269 6.326 -4.762 0.043 1.00 0.00 H new ATOM 0 HH12 ARG A 269 6.295 -6.367 -0.694 1.00 0.00 H new ATOM 0 HH21 ARG A 269 3.469 -5.728 -2.646 1.00 0.00 H new ATOM 0 HH22 ARG A 269 4.706 -6.904 -2.190 1.00 0.00 H new ATOM 447 N LEU A 270 0.325 -2.919 -1.329 1.00 0.00 N ATOM 448 CA LEU A 270 -0.231 -3.871 -2.304 1.00 0.00 C ATOM 449 C LEU A 270 0.858 -4.410 -3.251 1.00 0.00 C ATOM 450 O LEU A 270 2.052 -4.192 -3.031 1.00 0.00 O ATOM 451 CB LEU A 270 -1.402 -3.185 -3.046 1.00 0.00 C ATOM 452 CG LEU A 270 -2.571 -2.739 -2.147 1.00 0.00 C ATOM 453 CD1 LEU A 270 -3.646 -2.109 -3.037 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.189 -3.899 -1.350 1.00 0.00 C ATOM 0 H LEU A 270 0.576 -2.023 -1.746 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.620 -4.750 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.016 -2.313 -3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -1.786 -3.871 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.182 -2.027 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.485 -1.785 -2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.227 -1.249 -3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -3.992 -2.843 -3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.007 -3.523 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.570 -4.652 -2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.429 -4.345 -0.709 1.00 0.00 H new ATOM 529 N PRO A 276 -5.590 0.965 -7.804 1.00 0.00 N ATOM 530 CA PRO A 276 -6.506 1.678 -6.919 1.00 0.00 C ATOM 531 C PRO A 276 -7.811 2.125 -7.595 1.00 0.00 C ATOM 532 O PRO A 276 -8.766 2.456 -6.897 1.00 0.00 O ATOM 533 CB PRO A 276 -5.699 2.846 -6.349 1.00 0.00 C ATOM 534 CG PRO A 276 -4.642 3.115 -7.414 1.00 0.00 C ATOM 535 CD PRO A 276 -4.361 1.727 -7.979 1.00 0.00 C ATOM 0 HA PRO A 276 -6.864 1.016 -6.131 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.327 3.721 -6.179 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.245 2.589 -5.392 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.008 3.797 -8.182 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -3.746 3.566 -6.988 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.084 1.783 -9.032 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.531 1.253 -7.455 1.00 0.00 H new ATOM 543 N SER A 277 -7.909 2.068 -8.929 1.00 0.00 N ATOM 544 CA SER A 277 -9.158 2.316 -9.664 1.00 0.00 C ATOM 545 C SER A 277 -10.148 1.127 -9.598 1.00 0.00 C ATOM 546 O SER A 277 -11.323 1.295 -9.935 1.00 0.00 O ATOM 547 CB SER A 277 -8.820 2.685 -11.119 1.00 0.00 C ATOM 548 OG SER A 277 -9.890 3.367 -11.765 1.00 0.00 O ATOM 0 H SER A 277 -7.118 1.847 -9.534 1.00 0.00 H new ATOM 0 HA SER A 277 -9.672 3.148 -9.182 1.00 0.00 H new ATOM 0 HB2 SER A 277 -7.929 3.313 -11.135 1.00 0.00 H new ATOM 0 HB3 SER A 277 -8.581 1.779 -11.675 1.00 0.00 H new ATOM 0 HG SER A 277 -10.744 2.977 -11.483 1.00 0.00 H new ATOM 554 N VAL A 278 -9.718 -0.058 -9.123 1.00 0.00 N ATOM 555 CA VAL A 278 -10.567 -1.271 -8.988 1.00 0.00 C ATOM 556 C VAL A 278 -10.717 -1.757 -7.532 1.00 0.00 C ATOM 557 O VAL A 278 -11.005 -2.932 -7.295 1.00 0.00 O ATOM 558 CB VAL A 278 -10.151 -2.411 -9.957 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.202 -1.944 -11.423 1.00 0.00 C ATOM 560 CG2 VAL A 278 -8.765 -3.010 -9.670 1.00 0.00 C ATOM 0 H VAL A 278 -8.757 -0.208 -8.816 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.564 -0.957 -9.296 1.00 0.00 H new ATOM 0 HB VAL A 278 -10.883 -3.200 -9.785 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -9.905 -2.764 -12.077 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.217 -1.632 -11.670 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -9.520 -1.105 -11.562 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.553 -3.799 -10.392 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -8.008 -2.230 -9.751 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -8.750 -3.427 -8.663 1.00 0.00 H new ATOM 570 N LEU A 279 -10.541 -0.862 -6.547 1.00 0.00 N ATOM 571 CA LEU A 279 -10.667 -1.164 -5.109 1.00 0.00 C ATOM 572 C LEU A 279 -11.907 -0.501 -4.461 1.00 0.00 C ATOM 573 O LEU A 279 -12.364 0.544 -4.941 1.00 0.00 O ATOM 574 CB LEU A 279 -9.360 -0.782 -4.387 1.00 0.00 C ATOM 575 CG LEU A 279 -8.166 -1.683 -4.767 1.00 0.00 C ATOM 576 CD1 LEU A 279 -6.878 -1.129 -4.155 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.365 -3.120 -4.255 1.00 0.00 C ATOM 0 H LEU A 279 -10.302 0.113 -6.730 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.828 -2.237 -5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.113 0.254 -4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.519 -0.836 -3.310 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.098 -1.696 -5.855 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -6.040 -1.771 -4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.701 -0.121 -4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -6.974 -1.100 -3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.507 -3.729 -4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.459 -3.110 -3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.270 -3.541 -4.694 1.00 0.00 H new ATOM 589 N PRO A 280 -12.463 -1.115 -3.393 1.00 0.00 N ATOM 590 CA PRO A 280 -13.729 -0.723 -2.777 1.00 0.00 C ATOM 591 C PRO A 280 -13.600 0.539 -1.915 1.00 0.00 C ATOM 592 O PRO A 280 -12.552 0.805 -1.328 1.00 0.00 O ATOM 593 CB PRO A 280 -14.163 -1.933 -1.938 1.00 0.00 C ATOM 594 CG PRO A 280 -12.858 -2.639 -1.588 1.00 0.00 C ATOM 595 CD PRO A 280 -11.967 -2.342 -2.781 1.00 0.00 C ATOM 0 HA PRO A 280 -14.467 -0.465 -3.536 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.700 -1.623 -1.042 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.831 -2.587 -2.499 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.430 -2.256 -0.662 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -13.005 -3.711 -1.453 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.930 -2.224 -2.467 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -11.992 -3.166 -3.495 1.00 0.00 H new ATOM 603 N ASP A 281 -14.696 1.294 -1.794 1.00 0.00 N ATOM 604 CA ASP A 281 -14.780 2.507 -0.963 1.00 0.00 C ATOM 605 C ASP A 281 -14.754 2.214 0.552 1.00 0.00 C ATOM 606 O ASP A 281 -14.490 3.112 1.351 1.00 0.00 O ATOM 607 CB ASP A 281 -16.054 3.286 -1.324 1.00 0.00 C ATOM 608 CG ASP A 281 -16.029 3.825 -2.762 1.00 0.00 C ATOM 609 OD1 ASP A 281 -15.369 4.864 -3.002 1.00 0.00 O ATOM 610 OD2 ASP A 281 -16.689 3.220 -3.642 1.00 0.00 O ATOM 0 H ASP A 281 -15.568 1.079 -2.278 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.892 3.102 -1.177 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -16.920 2.637 -1.198 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.176 4.118 -0.630 1.00 0.00 H new ATOM 615 N ASN A 282 -14.975 0.955 0.940 1.00 0.00 N ATOM 616 CA ASN A 282 -14.933 0.453 2.320 1.00 0.00 C ATOM 617 C ASN A 282 -13.785 -0.558 2.526 1.00 0.00 C ATOM 618 O ASN A 282 -13.867 -1.436 3.388 1.00 0.00 O ATOM 619 CB ASN A 282 -16.311 -0.137 2.679 1.00 0.00 C ATOM 620 CG ASN A 282 -17.430 0.903 2.669 1.00 0.00 C ATOM 621 OD1 ASN A 282 -17.326 1.970 3.262 1.00 0.00 O ATOM 622 ND2 ASN A 282 -18.543 0.616 2.014 1.00 0.00 N ATOM 0 H ASN A 282 -15.199 0.221 0.269 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.721 1.278 3.000 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.555 -0.931 1.973 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.257 -0.595 3.667 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -19.315 1.283 2.003 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -18.630 -0.272 1.520 1.00 0.00 H new ATOM 629 N TRP A 283 -12.711 -0.452 1.730 1.00 0.00 N ATOM 630 CA TRP A 283 -11.473 -1.210 1.927 1.00 0.00 C ATOM 631 C TRP A 283 -10.930 -1.049 3.360 1.00 0.00 C ATOM 632 O TRP A 283 -10.911 0.049 3.912 1.00 0.00 O ATOM 633 CB TRP A 283 -10.421 -0.776 0.898 1.00 0.00 C ATOM 634 CG TRP A 283 -9.235 -1.675 0.885 1.00 0.00 C ATOM 635 CD1 TRP A 283 -9.069 -2.746 0.078 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.096 -1.666 1.797 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.919 -3.420 0.445 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.299 -2.813 1.519 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.692 -0.837 2.870 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.170 -3.126 2.283 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.567 -1.150 3.647 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.818 -2.299 3.358 1.00 0.00 C ATOM 0 H TRP A 283 -12.680 0.171 0.923 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.698 -2.266 1.781 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.872 -0.760 -0.094 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.099 0.242 1.118 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.730 -3.031 -0.727 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.572 -4.260 -0.019 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.260 0.053 3.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.576 -3.996 2.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.279 -0.507 4.466 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -4.963 -2.549 3.969 1.00 0.00 H new ATOM 653 N SER A 284 -10.456 -2.130 3.963 1.00 0.00 N ATOM 654 CA SER A 284 -9.904 -2.160 5.322 1.00 0.00 C ATOM 655 C SER A 284 -8.737 -3.148 5.395 1.00 0.00 C ATOM 656 O SER A 284 -8.542 -3.941 4.470 1.00 0.00 O ATOM 657 CB SER A 284 -11.004 -2.539 6.328 1.00 0.00 C ATOM 658 OG SER A 284 -11.535 -3.837 6.071 1.00 0.00 O ATOM 0 H SER A 284 -10.442 -3.044 3.510 1.00 0.00 H new ATOM 0 HA SER A 284 -9.530 -1.169 5.577 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.598 -2.506 7.339 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.807 -1.803 6.283 1.00 0.00 H new ATOM 0 HG SER A 284 -12.230 -4.043 6.731 1.00 0.00 H new ATOM 664 N CYS A 285 -7.979 -3.137 6.497 1.00 0.00 N ATOM 665 CA CYS A 285 -6.867 -4.075 6.710 1.00 0.00 C ATOM 666 C CYS A 285 -7.262 -5.559 6.467 1.00 0.00 C ATOM 667 O CYS A 285 -6.441 -6.356 6.018 1.00 0.00 O ATOM 668 CB CYS A 285 -6.310 -3.946 8.138 1.00 0.00 C ATOM 669 SG CYS A 285 -5.770 -2.272 8.576 1.00 0.00 S ATOM 0 H CYS A 285 -8.117 -2.480 7.265 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.108 -3.803 5.976 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.076 -4.265 8.845 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.468 -4.629 8.251 1.00 0.00 H new ATOM 0 HG CYS A 285 -6.774 -1.452 8.477 1.00 0.00 H new ATOM 674 N ASP A 286 -8.524 -5.932 6.721 1.00 0.00 N ATOM 675 CA ASP A 286 -9.084 -7.273 6.480 1.00 0.00 C ATOM 676 C ASP A 286 -9.150 -7.663 4.984 1.00 0.00 C ATOM 677 O ASP A 286 -9.294 -8.839 4.647 1.00 0.00 O ATOM 678 CB ASP A 286 -10.479 -7.326 7.126 1.00 0.00 C ATOM 679 CG ASP A 286 -11.108 -8.729 7.091 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.611 -9.630 7.808 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.126 -8.914 6.381 1.00 0.00 O ATOM 0 H ASP A 286 -9.209 -5.286 7.114 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.415 -8.006 6.930 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.406 -6.993 8.161 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.138 -6.626 6.612 1.00 0.00 H new ATOM 686 N GLN A 287 -9.013 -6.686 4.084 1.00 0.00 N ATOM 687 CA GLN A 287 -9.085 -6.817 2.626 1.00 0.00 C ATOM 688 C GLN A 287 -7.690 -6.707 1.967 1.00 0.00 C ATOM 689 O GLN A 287 -7.578 -6.512 0.755 1.00 0.00 O ATOM 690 CB GLN A 287 -10.083 -5.760 2.108 1.00 0.00 C ATOM 691 CG GLN A 287 -11.524 -6.067 2.553 1.00 0.00 C ATOM 692 CD GLN A 287 -12.464 -4.879 2.357 1.00 0.00 C ATOM 693 OE1 GLN A 287 -12.944 -4.600 1.266 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.755 -4.127 3.398 1.00 0.00 N ATOM 0 H GLN A 287 -8.838 -5.723 4.371 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.442 -7.810 2.352 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.792 -4.775 2.474 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -10.039 -5.722 1.020 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -11.901 -6.921 1.989 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.522 -6.355 3.604 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.362 -4.348 4.313 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.374 -3.323 3.290 1.00 0.00 H new ATOM 703 N ASN A 288 -6.614 -6.833 2.754 1.00 0.00 N ATOM 704 CA ASN A 288 -5.228 -6.761 2.284 1.00 0.00 C ATOM 705 C ASN A 288 -4.768 -8.009 1.511 1.00 0.00 C ATOM 706 O ASN A 288 -5.209 -9.131 1.786 1.00 0.00 O ATOM 707 CB ASN A 288 -4.295 -6.498 3.480 1.00 0.00 C ATOM 708 CG ASN A 288 -2.959 -5.909 3.044 1.00 0.00 C ATOM 709 OD1 ASN A 288 -2.898 -5.010 2.218 1.00 0.00 O ATOM 710 ND2 ASN A 288 -1.850 -6.420 3.542 1.00 0.00 N ATOM 0 H ASN A 288 -6.687 -6.992 3.759 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.179 -5.937 1.573 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.782 -5.815 4.176 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.122 -7.431 4.017 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -0.943 -6.065 3.238 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -1.899 -7.170 4.231 1.00 0.00 H new ATOM 717 N THR A 289 -3.825 -7.810 0.579 1.00 0.00 N ATOM 718 CA THR A 289 -3.171 -8.877 -0.197 1.00 0.00 C ATOM 719 C THR A 289 -2.048 -9.574 0.569 1.00 0.00 C ATOM 720 O THR A 289 -1.697 -10.700 0.220 1.00 0.00 O ATOM 721 CB THR A 289 -2.628 -8.327 -1.520 1.00 0.00 C ATOM 722 OG1 THR A 289 -1.786 -7.226 -1.254 1.00 0.00 O ATOM 723 CG2 THR A 289 -3.747 -7.858 -2.450 1.00 0.00 C ATOM 0 H THR A 289 -3.486 -6.879 0.337 1.00 0.00 H new ATOM 0 HA THR A 289 -3.940 -9.624 -0.393 1.00 0.00 H new ATOM 0 HB THR A 289 -2.085 -9.134 -2.012 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.435 -6.872 -2.097 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.315 -7.476 -3.375 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.407 -8.695 -2.676 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.318 -7.067 -1.963 1.00 0.00 H new ATOM 731 N ASP A 290 -1.509 -8.948 1.621 1.00 0.00 N ATOM 732 CA ASP A 290 -0.389 -9.468 2.413 1.00 0.00 C ATOM 733 C ASP A 290 -0.829 -9.947 3.803 1.00 0.00 C ATOM 734 O ASP A 290 -1.338 -9.162 4.605 1.00 0.00 O ATOM 735 CB ASP A 290 0.713 -8.401 2.560 1.00 0.00 C ATOM 736 CG ASP A 290 2.125 -8.997 2.490 1.00 0.00 C ATOM 737 OD1 ASP A 290 2.286 -10.220 2.710 1.00 0.00 O ATOM 738 OD2 ASP A 290 3.082 -8.222 2.263 1.00 0.00 O ATOM 0 H ASP A 290 -1.847 -8.045 1.953 1.00 0.00 H new ATOM 0 HA ASP A 290 0.004 -10.329 1.872 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.598 -7.655 1.774 1.00 0.00 H new ATOM 0 HB3 ASP A 290 0.588 -7.884 3.511 1.00 0.00 H new ATOM 743 N VAL A 291 -0.582 -11.223 4.106 1.00 0.00 N ATOM 744 CA VAL A 291 -1.020 -11.879 5.360 1.00 0.00 C ATOM 745 C VAL A 291 -0.300 -11.358 6.610 1.00 0.00 C ATOM 746 O VAL A 291 -0.801 -11.513 7.722 1.00 0.00 O ATOM 747 CB VAL A 291 -0.874 -13.418 5.309 1.00 0.00 C ATOM 748 CG1 VAL A 291 -1.703 -14.002 4.157 1.00 0.00 C ATOM 749 CG2 VAL A 291 0.593 -13.870 5.181 1.00 0.00 C ATOM 0 H VAL A 291 -0.066 -11.846 3.485 1.00 0.00 H new ATOM 0 HA VAL A 291 -2.075 -11.618 5.439 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.251 -13.799 6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -1.587 -15.086 4.138 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -2.754 -13.752 4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.358 -13.584 3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 291 0.637 -14.959 5.150 1.00 0.00 H new ATOM 0 HG22 VAL A 291 1.020 -13.463 4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.161 -13.509 6.038 1.00 0.00 H new ATOM 759 N GLN A 292 0.861 -10.720 6.429 1.00 0.00 N ATOM 760 CA GLN A 292 1.624 -10.101 7.518 1.00 0.00 C ATOM 761 C GLN A 292 0.981 -8.820 8.063 1.00 0.00 C ATOM 762 O GLN A 292 1.320 -8.406 9.168 1.00 0.00 O ATOM 763 CB GLN A 292 3.093 -9.876 7.123 1.00 0.00 C ATOM 764 CG GLN A 292 3.375 -9.512 5.661 1.00 0.00 C ATOM 765 CD GLN A 292 4.790 -8.963 5.428 1.00 0.00 C ATOM 766 OE1 GLN A 292 5.701 -9.101 6.238 1.00 0.00 O ATOM 767 NE2 GLN A 292 5.038 -8.317 4.310 1.00 0.00 N ATOM 0 H GLN A 292 1.301 -10.618 5.515 1.00 0.00 H new ATOM 0 HA GLN A 292 1.604 -10.816 8.341 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.495 -9.082 7.753 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.650 -10.783 7.359 1.00 0.00 H new ATOM 0 HG2 GLN A 292 3.230 -10.396 5.040 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.647 -8.770 5.333 1.00 0.00 H new ATOM 0 HE21 GLN A 292 4.298 -8.189 3.620 1.00 0.00 H new ATOM 0 HE22 GLN A 292 5.971 -7.944 4.133 1.00 0.00 H new ATOM 776 N TYR A 293 0.032 -8.226 7.331 1.00 0.00 N ATOM 777 CA TYR A 293 -0.675 -6.995 7.717 1.00 0.00 C ATOM 778 C TYR A 293 -2.176 -7.028 7.351 1.00 0.00 C ATOM 779 O TYR A 293 -2.793 -5.994 7.094 1.00 0.00 O ATOM 780 CB TYR A 293 0.060 -5.770 7.149 1.00 0.00 C ATOM 781 CG TYR A 293 1.486 -5.593 7.641 1.00 0.00 C ATOM 782 CD1 TYR A 293 1.730 -4.845 8.807 1.00 0.00 C ATOM 783 CD2 TYR A 293 2.566 -6.185 6.959 1.00 0.00 C ATOM 784 CE1 TYR A 293 3.040 -4.679 9.290 1.00 0.00 C ATOM 785 CE2 TYR A 293 3.879 -6.032 7.438 1.00 0.00 C ATOM 786 CZ TYR A 293 4.123 -5.278 8.608 1.00 0.00 C ATOM 787 OH TYR A 293 5.393 -5.143 9.082 1.00 0.00 O ATOM 0 H TYR A 293 -0.275 -8.595 6.431 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.659 -6.918 8.804 1.00 0.00 H new ATOM 0 HB2 TYR A 293 0.073 -5.845 6.062 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.509 -4.875 7.400 1.00 0.00 H new ATOM 0 HD1 TYR A 293 0.904 -4.394 9.336 1.00 0.00 H new ATOM 0 HD2 TYR A 293 2.385 -6.760 6.063 1.00 0.00 H new ATOM 0 HE1 TYR A 293 3.218 -4.095 10.181 1.00 0.00 H new ATOM 0 HE2 TYR A 293 4.702 -6.491 6.911 1.00 0.00 H new ATOM 0 HH TYR A 293 6.015 -5.619 8.492 1.00 0.00 H new ATOM 797 N ASN A 294 -2.777 -8.225 7.337 1.00 0.00 N ATOM 798 CA ASN A 294 -4.175 -8.454 6.941 1.00 0.00 C ATOM 799 C ASN A 294 -5.206 -8.278 8.083 1.00 0.00 C ATOM 800 O ASN A 294 -6.322 -8.799 8.005 1.00 0.00 O ATOM 801 CB ASN A 294 -4.312 -9.809 6.225 1.00 0.00 C ATOM 802 CG ASN A 294 -4.257 -11.028 7.148 1.00 0.00 C ATOM 803 OD1 ASN A 294 -3.879 -10.956 8.313 1.00 0.00 O ATOM 804 ND2 ASN A 294 -4.645 -12.189 6.652 1.00 0.00 N ATOM 0 H ASN A 294 -2.294 -9.082 7.607 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.429 -7.660 6.238 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.257 -9.824 5.682 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.517 -9.895 5.484 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -4.630 -13.024 7.237 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -4.960 -12.250 5.684 1.00 0.00 H new ATOM 811 N ARG A 295 -4.825 -7.576 9.159 1.00 0.00 N ATOM 812 CA ARG A 295 -5.655 -7.313 10.342 1.00 0.00 C ATOM 813 C ARG A 295 -5.435 -5.909 10.898 1.00 0.00 C ATOM 814 O ARG A 295 -4.300 -5.459 11.051 1.00 0.00 O ATOM 815 CB ARG A 295 -5.319 -8.324 11.448 1.00 0.00 C ATOM 816 CG ARG A 295 -6.188 -9.584 11.401 1.00 0.00 C ATOM 817 CD ARG A 295 -5.726 -10.540 12.504 1.00 0.00 C ATOM 818 NE ARG A 295 -6.639 -11.684 12.651 1.00 0.00 N ATOM 819 CZ ARG A 295 -6.575 -12.624 13.590 1.00 0.00 C ATOM 820 NH1 ARG A 295 -5.637 -12.623 14.517 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.466 -13.590 13.610 1.00 0.00 N ATOM 0 H ARG A 295 -3.896 -7.161 9.232 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.695 -7.406 10.029 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.271 -8.611 11.363 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.440 -7.844 12.419 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.237 -9.325 11.541 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.105 -10.064 10.426 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -4.723 -10.902 12.276 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -5.663 -10.001 13.449 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.393 -11.764 11.968 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -4.932 -11.886 14.528 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -5.617 -13.359 15.223 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.204 -13.618 12.907 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.419 -14.312 14.329 1.00 0.00 H new ATOM 835 N CYS A 296 -6.526 -5.279 11.321 1.00 0.00 N ATOM 836 CA CYS A 296 -6.568 -3.973 11.978 1.00 0.00 C ATOM 837 C CYS A 296 -5.832 -3.893 13.334 1.00 0.00 C ATOM 838 O CYS A 296 -5.518 -2.801 13.812 1.00 0.00 O ATOM 839 CB CYS A 296 -8.051 -3.645 12.156 1.00 0.00 C ATOM 840 SG CYS A 296 -8.697 -2.850 10.662 1.00 0.00 S ATOM 0 H CYS A 296 -7.455 -5.685 11.210 1.00 0.00 H new ATOM 0 HA CYS A 296 -6.036 -3.255 11.354 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.611 -4.557 12.363 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.185 -2.987 13.014 1.00 0.00 H new ATOM 0 HG CYS A 296 -7.709 -2.523 9.883 1.00 0.00 H new ATOM 845 N ASP A 297 -5.532 -5.043 13.936 1.00 0.00 N ATOM 846 CA ASP A 297 -4.844 -5.165 15.224 1.00 0.00 C ATOM 847 C ASP A 297 -3.319 -5.276 15.037 1.00 0.00 C ATOM 848 O ASP A 297 -2.564 -5.352 16.006 1.00 0.00 O ATOM 849 CB ASP A 297 -5.459 -6.367 15.955 1.00 0.00 C ATOM 850 CG ASP A 297 -5.001 -6.491 17.420 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.263 -5.555 18.214 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.424 -7.544 17.782 1.00 0.00 O ATOM 0 H ASP A 297 -5.769 -5.947 13.528 1.00 0.00 H new ATOM 0 HA ASP A 297 -4.983 -4.271 15.832 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.545 -6.283 15.928 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.197 -7.281 15.421 1.00 0.00 H new ATOM 857 N ILE A 298 -2.861 -5.253 13.778 1.00 0.00 N ATOM 858 CA ILE A 298 -1.449 -5.283 13.397 1.00 0.00 C ATOM 859 C ILE A 298 -0.969 -3.843 13.158 1.00 0.00 C ATOM 860 O ILE A 298 -1.648 -3.096 12.441 1.00 0.00 O ATOM 861 CB ILE A 298 -1.216 -6.175 12.157 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.773 -7.587 12.428 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.280 -6.235 11.822 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.564 -8.599 11.294 1.00 0.00 C ATOM 0 H ILE A 298 -3.486 -5.212 12.973 1.00 0.00 H new ATOM 0 HA ILE A 298 -0.867 -5.724 14.206 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.738 -5.749 11.300 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.306 -7.977 13.332 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -2.841 -7.507 12.630 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.432 -6.866 10.947 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.647 -5.230 11.613 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.826 -6.651 12.669 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -1.990 -9.560 11.581 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -2.056 -8.239 10.390 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.497 -8.717 11.104 1.00 0.00 H new ATOM 876 N PRO A 299 0.194 -3.454 13.709 1.00 0.00 N ATOM 877 CA PRO A 299 0.759 -2.119 13.560 1.00 0.00 C ATOM 878 C PRO A 299 1.121 -1.797 12.106 1.00 0.00 C ATOM 879 O PRO A 299 1.254 -2.685 11.269 1.00 0.00 O ATOM 880 CB PRO A 299 1.988 -2.107 14.472 1.00 0.00 C ATOM 881 CG PRO A 299 2.410 -3.569 14.572 1.00 0.00 C ATOM 882 CD PRO A 299 1.077 -4.305 14.494 1.00 0.00 C ATOM 0 HA PRO A 299 0.040 -1.348 13.837 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.785 -1.492 14.054 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.749 -1.696 15.453 1.00 0.00 H new ATOM 0 HG2 PRO A 299 3.079 -3.854 13.760 1.00 0.00 H new ATOM 0 HG3 PRO A 299 2.934 -3.777 15.505 1.00 0.00 H new ATOM 0 HD2 PRO A 299 1.197 -5.281 14.024 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.668 -4.478 15.489 1.00 0.00 H new ATOM 890 N GLU A 300 1.272 -0.506 11.805 1.00 0.00 N ATOM 891 CA GLU A 300 1.676 -0.001 10.492 1.00 0.00 C ATOM 892 C GLU A 300 3.157 -0.352 10.189 1.00 0.00 C ATOM 893 O GLU A 300 3.979 -0.512 11.099 1.00 0.00 O ATOM 894 CB GLU A 300 1.351 1.507 10.456 1.00 0.00 C ATOM 895 CG GLU A 300 0.807 2.014 9.117 1.00 0.00 C ATOM 896 CD GLU A 300 1.907 2.334 8.098 1.00 0.00 C ATOM 897 OE1 GLU A 300 2.283 1.419 7.333 1.00 0.00 O ATOM 898 OE2 GLU A 300 2.367 3.499 8.055 1.00 0.00 O ATOM 0 H GLU A 300 1.112 0.237 12.486 1.00 0.00 H new ATOM 0 HA GLU A 300 1.121 -0.483 9.687 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.621 1.726 11.235 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.255 2.065 10.700 1.00 0.00 H new ATOM 0 HG2 GLU A 300 0.139 1.263 8.696 1.00 0.00 H new ATOM 0 HG3 GLU A 300 0.210 2.910 9.291 1.00 0.00 H new ATOM 1027 N ARG B 2 -8.956 5.623 1.342 1.00 0.00 N ATOM 1028 CA ARG B 2 -8.028 6.478 0.578 1.00 0.00 C ATOM 1029 C ARG B 2 -6.991 5.629 -0.160 1.00 0.00 C ATOM 1030 O ARG B 2 -6.667 4.518 0.272 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.332 7.490 1.504 1.00 0.00 C ATOM 1032 CG ARG B 2 -6.969 8.806 0.791 1.00 0.00 C ATOM 1033 CD ARG B 2 -6.411 9.852 1.769 1.00 0.00 C ATOM 1034 NE ARG B 2 -7.430 10.309 2.733 1.00 0.00 N ATOM 1035 CZ ARG B 2 -8.368 11.227 2.525 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -8.483 11.871 1.380 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -9.225 11.512 3.481 1.00 0.00 N ATOM 0 HA ARG B 2 -8.609 7.030 -0.161 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -7.984 7.709 2.349 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.425 7.040 1.909 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -6.232 8.606 0.013 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -7.854 9.207 0.296 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -5.565 9.427 2.310 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.034 10.707 1.208 1.00 0.00 H new ATOM 0 HE ARG B 2 -7.413 9.875 3.656 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -7.838 11.671 0.615 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -9.217 12.569 1.259 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -9.168 11.029 4.378 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -9.947 12.216 3.326 1.00 0.00 H new ATOM 1051 N THR B 3 -6.435 6.184 -1.233 1.00 0.00 N ATOM 1052 CA THR B 3 -5.421 5.562 -2.094 1.00 0.00 C ATOM 1053 C THR B 3 -4.346 6.571 -2.451 1.00 0.00 C ATOM 1054 O THR B 3 -4.641 7.719 -2.784 1.00 0.00 O ATOM 1055 CB THR B 3 -6.044 4.981 -3.372 1.00 0.00 C ATOM 1056 OG1 THR B 3 -7.027 5.848 -3.901 1.00 0.00 O ATOM 1057 CG2 THR B 3 -6.684 3.626 -3.088 1.00 0.00 C ATOM 0 H THR B 3 -6.687 7.122 -1.544 1.00 0.00 H new ATOM 0 HA THR B 3 -4.972 4.739 -1.537 1.00 0.00 H new ATOM 0 HB THR B 3 -5.242 4.864 -4.100 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.406 5.455 -4.715 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.120 3.230 -4.005 1.00 0.00 H new ATOM 0 HG22 THR B 3 -5.925 2.935 -2.719 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.465 3.743 -2.336 1.00 0.00 H new