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= 0.436 USER MOD Set 1.2: A 287 GLN : amide:sc= 0.8 X(o=1.2,f=0.88) USER MOD Set 2.1: A 259 CYS SG : rot -178:sc= 1.09 USER MOD Set 2.2: A 264 CYS SG : rot 149:sc= 2.25 USER MOD Set 2.3: A 266 LYS NZ :NH3+ 147:sc= 1.38 (180deg=-0.181) USER MOD Set 2.4: A 285 CYS SG : rot 60:sc= 2.88 USER MOD Set 2.5: A 296 CYS SG : rot -7:sc= 1.36 USER MOD Single : A 258 GLN : amide:sc= 0.693 K(o=0.69,f=-1.4) USER MOD Single : A 260 SER OG : rot -170:sc= 0 USER MOD Single : A 263 ASN : amide:sc= 0.0455 K(o=0.046,f=-1.1) USER MOD Single : A 277 SER OG : rot 180:sc= 0 USER MOD Single : A 282 ASN : amide:sc= -0.026 X(o=-0.026,f=-0.08) USER MOD Single : A 288 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.35) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 292 GLN : amide:sc= 0.318 K(o=0.32,f=-0.22) USER MOD Single : A 293 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 ASN : amide:sc= -0.357 K(o=-0.36,f=-1.2) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 194 N VAL A 255 1.364 0.668 -5.080 1.00 0.00 N ATOM 195 CA VAL A 255 0.056 1.173 -4.640 1.00 0.00 C ATOM 196 C VAL A 255 -0.102 0.921 -3.138 1.00 0.00 C ATOM 197 O VAL A 255 0.107 -0.195 -2.659 1.00 0.00 O ATOM 198 CB VAL A 255 -1.107 0.529 -5.431 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.462 1.156 -5.048 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.895 0.684 -6.947 1.00 0.00 C ATOM 0 HA VAL A 255 0.015 2.244 -4.837 1.00 0.00 H new ATOM 0 HB VAL A 255 -1.119 -0.530 -5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -3.258 0.681 -5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.644 1.007 -3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.444 2.224 -5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.727 0.223 -7.480 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.844 1.743 -7.201 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.036 0.196 -7.236 1.00 0.00 H new ATOM 210 N TRP A 256 -0.495 1.966 -2.410 1.00 0.00 N ATOM 211 CA TRP A 256 -0.793 1.931 -0.979 1.00 0.00 C ATOM 212 C TRP A 256 -2.276 2.258 -0.738 1.00 0.00 C ATOM 213 O TRP A 256 -2.840 3.144 -1.384 1.00 0.00 O ATOM 214 CB TRP A 256 0.093 2.949 -0.247 1.00 0.00 C ATOM 215 CG TRP A 256 1.565 2.686 -0.182 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.454 2.929 -1.171 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.347 2.135 0.927 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.731 2.650 -0.733 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.724 2.129 0.542 1.00 0.00 C ATOM 220 CE3 TRP A 256 2.035 1.608 2.202 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.739 1.632 1.372 1.00 0.00 C ATOM 222 CZ3 TRP A 256 3.041 1.048 3.013 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.388 1.070 2.610 1.00 0.00 C ATOM 0 H TRP A 256 -0.619 2.894 -2.816 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.589 0.931 -0.595 1.00 0.00 H new ATOM 0 HB2 TRP A 256 -0.051 3.919 -0.722 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.275 3.037 0.775 1.00 0.00 H new ATOM 0 HD1 TRP A 256 2.201 3.288 -2.158 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.575 2.809 -1.284 1.00 0.00 H new ATOM 0 HE3 TRP A 256 1.015 1.635 2.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.773 1.681 1.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.774 0.596 3.957 1.00 0.00 H new ATOM 0 HH2 TRP A 256 5.151 0.655 3.252 1.00 0.00 H new ATOM 234 N VAL A 257 -2.887 1.567 0.225 1.00 0.00 N ATOM 235 CA VAL A 257 -4.321 1.678 0.575 1.00 0.00 C ATOM 236 C VAL A 257 -4.500 2.011 2.048 1.00 0.00 C ATOM 237 O VAL A 257 -3.906 1.350 2.898 1.00 0.00 O ATOM 238 CB VAL A 257 -5.101 0.376 0.288 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.601 0.352 -1.152 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.291 -0.903 0.566 1.00 0.00 C ATOM 0 H VAL A 257 -2.391 0.891 0.806 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.717 2.478 -0.050 1.00 0.00 H new ATOM 0 HB VAL A 257 -5.943 0.381 0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.147 -0.574 -1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.262 1.202 -1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.752 0.410 -1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -4.903 -1.777 0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.400 -0.913 -0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -3.996 -0.926 1.615 1.00 0.00 H new ATOM 250 N GLN A 258 -5.329 3.016 2.344 1.00 0.00 N ATOM 251 CA GLN A 258 -5.678 3.390 3.712 1.00 0.00 C ATOM 252 C GLN A 258 -6.936 2.647 4.180 1.00 0.00 C ATOM 253 O GLN A 258 -7.954 2.625 3.482 1.00 0.00 O ATOM 254 CB GLN A 258 -5.866 4.908 3.835 1.00 0.00 C ATOM 255 CG GLN A 258 -5.911 5.338 5.313 1.00 0.00 C ATOM 256 CD GLN A 258 -5.913 6.854 5.516 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.636 7.600 4.871 1.00 0.00 O ATOM 258 NE2 GLN A 258 -5.123 7.372 6.434 1.00 0.00 N ATOM 0 H GLN A 258 -5.778 3.595 1.635 1.00 0.00 H new ATOM 0 HA GLN A 258 -4.852 3.098 4.360 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -5.050 5.422 3.327 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.789 5.206 3.337 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.803 4.918 5.777 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.052 4.913 5.832 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.513 6.766 6.982 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -5.122 8.379 6.596 1.00 0.00 H new ATOM 267 N CYS A 259 -6.866 2.089 5.391 1.00 0.00 N ATOM 268 CA CYS A 259 -7.983 1.468 6.094 1.00 0.00 C ATOM 269 C CYS A 259 -9.204 2.411 6.207 1.00 0.00 C ATOM 270 O CYS A 259 -9.072 3.595 6.533 1.00 0.00 O ATOM 271 CB CYS A 259 -7.469 1.056 7.477 1.00 0.00 C ATOM 272 SG CYS A 259 -8.659 -0.063 8.262 1.00 0.00 S ATOM 0 H CYS A 259 -5.997 2.058 5.925 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.336 0.601 5.535 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.500 0.565 7.384 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.321 1.939 8.099 1.00 0.00 H new ATOM 0 HG CYS A 259 -8.244 -0.371 9.455 1.00 0.00 H new ATOM 277 N SER A 260 -10.398 1.882 5.944 1.00 0.00 N ATOM 278 CA SER A 260 -11.659 2.644 6.012 1.00 0.00 C ATOM 279 C SER A 260 -12.019 3.094 7.445 1.00 0.00 C ATOM 280 O SER A 260 -12.668 4.130 7.628 1.00 0.00 O ATOM 281 CB SER A 260 -12.804 1.867 5.348 1.00 0.00 C ATOM 282 OG SER A 260 -14.023 2.596 5.355 1.00 0.00 O ATOM 0 H SER A 260 -10.526 0.906 5.675 1.00 0.00 H new ATOM 0 HA SER A 260 -11.503 3.563 5.448 1.00 0.00 H new ATOM 0 HB2 SER A 260 -12.531 1.629 4.320 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.947 0.919 5.867 1.00 0.00 H new ATOM 0 HG SER A 260 -14.756 2.011 5.070 1.00 0.00 H new ATOM 288 N PHE A 261 -11.555 2.377 8.481 1.00 0.00 N ATOM 289 CA PHE A 261 -11.790 2.758 9.871 1.00 0.00 C ATOM 290 C PHE A 261 -10.938 3.970 10.297 1.00 0.00 C ATOM 291 O PHE A 261 -9.724 3.985 10.060 1.00 0.00 O ATOM 292 CB PHE A 261 -11.542 1.569 10.801 1.00 0.00 C ATOM 293 CG PHE A 261 -12.528 0.433 10.644 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.842 0.573 11.129 1.00 0.00 C ATOM 295 CD2 PHE A 261 -12.129 -0.771 10.036 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.755 -0.490 10.998 1.00 0.00 C ATOM 297 CE2 PHE A 261 -13.036 -1.836 9.917 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.353 -1.694 10.392 1.00 0.00 C ATOM 0 H PHE A 261 -11.010 1.522 8.373 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.835 3.059 9.952 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.537 1.188 10.622 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.572 1.919 11.833 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -14.149 1.495 11.601 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -11.122 -0.876 9.660 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.766 -0.381 11.363 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.723 -2.764 9.461 1.00 0.00 H new ATOM 0 HZ PHE A 261 -15.055 -2.509 10.291 1.00 0.00 H new ATOM 308 N PRO A 262 -11.549 4.960 10.978 1.00 0.00 N ATOM 309 CA PRO A 262 -10.891 6.194 11.395 1.00 0.00 C ATOM 310 C PRO A 262 -9.905 5.976 12.551 1.00 0.00 C ATOM 311 O PRO A 262 -8.866 6.631 12.607 1.00 0.00 O ATOM 312 CB PRO A 262 -12.042 7.111 11.816 1.00 0.00 C ATOM 313 CG PRO A 262 -13.126 6.156 12.312 1.00 0.00 C ATOM 314 CD PRO A 262 -12.945 4.956 11.393 1.00 0.00 C ATOM 0 HA PRO A 262 -10.285 6.614 10.592 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.733 7.803 12.600 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.396 7.714 10.980 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -12.986 5.891 13.360 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -14.122 6.590 12.223 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.193 4.030 11.911 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.607 5.025 10.530 1.00 0.00 H new ATOM 322 N ASN A 263 -10.198 5.020 13.440 1.00 0.00 N ATOM 323 CA ASN A 263 -9.313 4.587 14.529 1.00 0.00 C ATOM 324 C ASN A 263 -8.125 3.718 14.054 1.00 0.00 C ATOM 325 O ASN A 263 -7.235 3.401 14.848 1.00 0.00 O ATOM 326 CB ASN A 263 -10.152 3.862 15.593 1.00 0.00 C ATOM 327 CG ASN A 263 -10.791 2.582 15.058 1.00 0.00 C ATOM 328 OD1 ASN A 263 -11.803 2.620 14.369 1.00 0.00 O ATOM 329 ND2 ASN A 263 -10.214 1.426 15.335 1.00 0.00 N ATOM 0 H ASN A 263 -11.082 4.512 13.422 1.00 0.00 H new ATOM 0 HA ASN A 263 -8.854 5.478 14.959 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.520 3.620 16.447 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -10.933 4.531 15.954 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -10.611 0.558 14.974 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -9.371 1.401 15.909 1.00 0.00 H new ATOM 336 N CYS A 264 -8.102 3.352 12.766 1.00 0.00 N ATOM 337 CA CYS A 264 -6.993 2.690 12.085 1.00 0.00 C ATOM 338 C CYS A 264 -6.198 3.746 11.304 1.00 0.00 C ATOM 339 O CYS A 264 -5.142 4.196 11.756 1.00 0.00 O ATOM 340 CB CYS A 264 -7.560 1.582 11.182 1.00 0.00 C ATOM 341 SG CYS A 264 -6.590 0.056 11.259 1.00 0.00 S ATOM 0 H CYS A 264 -8.895 3.519 12.146 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.309 2.219 12.791 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.588 1.370 11.476 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.590 1.938 10.152 1.00 0.00 H new ATOM 0 HG CYS A 264 -7.371 -0.965 11.067 1.00 0.00 H new ATOM 346 N GLY A 265 -6.715 4.138 10.130 1.00 0.00 N ATOM 347 CA GLY A 265 -6.070 5.059 9.201 1.00 0.00 C ATOM 348 C GLY A 265 -4.743 4.532 8.646 1.00 0.00 C ATOM 349 O GLY A 265 -3.954 5.311 8.112 1.00 0.00 O ATOM 0 H GLY A 265 -7.621 3.809 9.797 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.748 5.261 8.372 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -5.893 6.008 9.706 1.00 0.00 H new ATOM 353 N LYS A 266 -4.488 3.228 8.783 1.00 0.00 N ATOM 354 CA LYS A 266 -3.222 2.586 8.432 1.00 0.00 C ATOM 355 C LYS A 266 -3.069 2.399 6.924 1.00 0.00 C ATOM 356 O LYS A 266 -4.040 2.059 6.247 1.00 0.00 O ATOM 357 CB LYS A 266 -3.129 1.222 9.122 1.00 0.00 C ATOM 358 CG LYS A 266 -3.039 1.346 10.637 1.00 0.00 C ATOM 359 CD LYS A 266 -2.917 -0.067 11.198 1.00 0.00 C ATOM 360 CE LYS A 266 -2.907 -0.059 12.719 1.00 0.00 C ATOM 361 NZ LYS A 266 -4.219 0.360 13.282 1.00 0.00 N ATOM 0 H LYS A 266 -5.177 2.573 9.152 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.419 3.240 8.770 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -4.002 0.624 8.860 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.254 0.688 8.751 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.178 1.949 10.923 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.923 1.843 11.036 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.748 -0.675 10.841 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -2.002 -0.529 10.829 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.656 -1.055 13.085 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -2.128 0.616 13.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -4.388 -0.140 14.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -4.211 1.386 13.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.976 0.128 12.608 1.00 0.00 H new ATOM 375 N TRP A 267 -1.849 2.542 6.409 1.00 0.00 N ATOM 376 CA TRP A 267 -1.523 2.309 5.009 1.00 0.00 C ATOM 377 C TRP A 267 -0.823 0.955 4.849 1.00 0.00 C ATOM 378 O TRP A 267 0.216 0.707 5.465 1.00 0.00 O ATOM 379 CB TRP A 267 -0.684 3.478 4.479 1.00 0.00 C ATOM 380 CG TRP A 267 -1.391 4.798 4.431 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.467 5.691 5.442 1.00 0.00 C ATOM 382 CD2 TRP A 267 -2.121 5.402 3.320 1.00 0.00 C ATOM 383 NE1 TRP A 267 -2.155 6.815 5.023 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.569 6.698 3.714 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.446 4.982 2.013 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.271 7.548 2.843 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.156 5.820 1.137 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.552 7.107 1.539 1.00 0.00 C ATOM 0 H TRP A 267 -1.045 2.829 6.967 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.434 2.264 4.412 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.203 3.581 5.104 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.339 3.231 3.475 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -1.053 5.548 6.429 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.334 7.630 5.610 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.144 4.000 1.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.590 8.526 3.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.400 5.471 0.144 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -4.071 7.755 0.848 1.00 0.00 H new ATOM 399 N ARG A 268 -1.402 0.081 4.016 1.00 0.00 N ATOM 400 CA ARG A 268 -0.852 -1.234 3.667 1.00 0.00 C ATOM 401 C ARG A 268 -0.413 -1.237 2.193 1.00 0.00 C ATOM 402 O ARG A 268 -1.034 -0.564 1.359 1.00 0.00 O ATOM 403 CB ARG A 268 -1.884 -2.351 3.932 1.00 0.00 C ATOM 404 CG ARG A 268 -2.640 -2.307 5.277 1.00 0.00 C ATOM 405 CD ARG A 268 -1.779 -2.361 6.540 1.00 0.00 C ATOM 406 NE ARG A 268 -2.637 -2.565 7.723 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.244 -2.750 8.973 1.00 0.00 C ATOM 408 NH1 ARG A 268 -0.996 -2.601 9.354 1.00 0.00 N ATOM 409 NH2 ARG A 268 -3.128 -3.076 9.877 1.00 0.00 N ATOM 0 H ARG A 268 -2.290 0.275 3.554 1.00 0.00 H new ATOM 0 HA ARG A 268 0.016 -1.429 4.296 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -2.621 -2.328 3.129 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.369 -3.310 3.865 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.233 -1.393 5.306 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.340 -3.142 5.304 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -1.053 -3.171 6.462 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.213 -1.435 6.645 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.644 -2.563 7.559 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.284 -2.332 8.675 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.739 -2.754 10.329 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -4.108 -3.185 9.616 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.839 -3.222 10.844 1.00 0.00 H new ATOM 423 N ARG A 269 0.651 -1.988 1.888 1.00 0.00 N ATOM 424 CA ARG A 269 1.173 -2.205 0.528 1.00 0.00 C ATOM 425 C ARG A 269 0.338 -3.228 -0.248 1.00 0.00 C ATOM 426 O ARG A 269 -0.248 -4.132 0.347 1.00 0.00 O ATOM 427 CB ARG A 269 2.624 -2.709 0.584 1.00 0.00 C ATOM 428 CG ARG A 269 3.592 -1.659 1.112 1.00 0.00 C ATOM 429 CD ARG A 269 5.058 -2.085 0.948 1.00 0.00 C ATOM 430 NE ARG A 269 5.416 -3.179 1.864 1.00 0.00 N ATOM 431 CZ ARG A 269 6.047 -4.311 1.582 1.00 0.00 C ATOM 432 NH1 ARG A 269 6.359 -4.671 0.352 1.00 0.00 N ATOM 433 NH2 ARG A 269 6.384 -5.109 2.567 1.00 0.00 N ATOM 0 H ARG A 269 1.192 -2.478 2.601 1.00 0.00 H new ATOM 0 HA ARG A 269 1.123 -1.245 0.015 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.673 -3.594 1.219 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.936 -3.016 -0.414 1.00 0.00 H new ATOM 0 HG2 ARG A 269 3.428 -0.719 0.585 1.00 0.00 H new ATOM 0 HG3 ARG A 269 3.385 -1.474 2.166 1.00 0.00 H new ATOM 0 HD2 ARG A 269 5.232 -2.401 -0.081 1.00 0.00 H new ATOM 0 HD3 ARG A 269 5.708 -1.229 1.132 1.00 0.00 H new ATOM 0 HE ARG A 269 5.145 -3.051 2.839 1.00 0.00 H new ATOM 0 HH11 ARG A 269 6.114 -4.068 -0.433 1.00 0.00 H new ATOM 0 HH12 ARG A 269 6.845 -5.552 0.186 1.00 0.00 H new ATOM 0 HH21 ARG A 269 6.160 -4.854 3.529 1.00 0.00 H new ATOM 0 HH22 ARG A 269 6.870 -5.984 2.371 1.00 0.00 H new ATOM 447 N LEU A 270 0.351 -3.114 -1.578 1.00 0.00 N ATOM 448 CA LEU A 270 -0.338 -4.015 -2.519 1.00 0.00 C ATOM 449 C LEU A 270 0.591 -4.568 -3.611 1.00 0.00 C ATOM 450 O LEU A 270 1.677 -4.039 -3.863 1.00 0.00 O ATOM 451 CB LEU A 270 -1.514 -3.267 -3.177 1.00 0.00 C ATOM 452 CG LEU A 270 -2.641 -2.822 -2.233 1.00 0.00 C ATOM 453 CD1 LEU A 270 -3.714 -2.138 -3.086 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.284 -3.984 -1.460 1.00 0.00 C ATOM 0 H LEU A 270 0.858 -2.366 -2.051 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.696 -4.868 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.121 -2.385 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -1.943 -3.910 -3.946 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.211 -2.153 -1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.532 -1.808 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.281 -1.276 -3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.094 -2.842 -3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.072 -3.599 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.710 -4.698 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.527 -4.481 -0.854 1.00 0.00 H new ATOM 529 N PRO A 276 -5.837 1.209 -7.889 1.00 0.00 N ATOM 530 CA PRO A 276 -6.723 1.855 -6.928 1.00 0.00 C ATOM 531 C PRO A 276 -8.097 2.248 -7.493 1.00 0.00 C ATOM 532 O PRO A 276 -9.021 2.469 -6.713 1.00 0.00 O ATOM 533 CB PRO A 276 -5.934 3.040 -6.374 1.00 0.00 C ATOM 534 CG PRO A 276 -4.936 3.369 -7.476 1.00 0.00 C ATOM 535 CD PRO A 276 -4.640 2.012 -8.102 1.00 0.00 C ATOM 0 HA PRO A 276 -6.997 1.155 -6.138 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.585 3.887 -6.160 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.429 2.783 -5.443 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.355 4.064 -8.203 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -4.034 3.832 -7.076 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.419 2.111 -9.165 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.770 1.548 -7.638 1.00 0.00 H new ATOM 543 N SER A 277 -8.289 2.259 -8.819 1.00 0.00 N ATOM 544 CA SER A 277 -9.597 2.463 -9.452 1.00 0.00 C ATOM 545 C SER A 277 -10.456 1.180 -9.524 1.00 0.00 C ATOM 546 O SER A 277 -11.618 1.266 -9.927 1.00 0.00 O ATOM 547 CB SER A 277 -9.411 3.068 -10.852 1.00 0.00 C ATOM 548 OG SER A 277 -8.788 4.349 -10.794 1.00 0.00 O ATOM 0 H SER A 277 -7.531 2.125 -9.489 1.00 0.00 H new ATOM 0 HA SER A 277 -10.148 3.157 -8.817 1.00 0.00 H new ATOM 0 HB2 SER A 277 -8.806 2.396 -11.461 1.00 0.00 H new ATOM 0 HB3 SER A 277 -10.381 3.157 -11.342 1.00 0.00 H new ATOM 0 HG SER A 277 -8.684 4.703 -11.702 1.00 0.00 H new ATOM 554 N VAL A 278 -9.937 0.011 -9.107 1.00 0.00 N ATOM 555 CA VAL A 278 -10.706 -1.256 -9.002 1.00 0.00 C ATOM 556 C VAL A 278 -10.843 -1.769 -7.553 1.00 0.00 C ATOM 557 O VAL A 278 -11.163 -2.940 -7.338 1.00 0.00 O ATOM 558 CB VAL A 278 -10.214 -2.361 -9.977 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.228 -1.869 -11.435 1.00 0.00 C ATOM 560 CG2 VAL A 278 -8.825 -2.934 -9.651 1.00 0.00 C ATOM 0 H VAL A 278 -8.961 -0.088 -8.829 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.714 -0.998 -9.327 1.00 0.00 H new ATOM 0 HB VAL A 278 -10.928 -3.174 -9.844 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -9.878 -2.666 -12.091 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.243 -1.588 -11.714 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -9.572 -1.004 -11.533 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.565 -3.698 -10.384 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -8.085 -2.134 -9.683 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -8.839 -3.377 -8.655 1.00 0.00 H new ATOM 570 N LEU A 279 -10.623 -0.902 -6.554 1.00 0.00 N ATOM 571 CA LEU A 279 -10.727 -1.228 -5.122 1.00 0.00 C ATOM 572 C LEU A 279 -11.986 -0.614 -4.465 1.00 0.00 C ATOM 573 O LEU A 279 -12.484 0.415 -4.939 1.00 0.00 O ATOM 574 CB LEU A 279 -9.434 -0.787 -4.405 1.00 0.00 C ATOM 575 CG LEU A 279 -8.198 -1.615 -4.806 1.00 0.00 C ATOM 576 CD1 LEU A 279 -6.941 -0.994 -4.193 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.318 -3.065 -4.305 1.00 0.00 C ATOM 0 H LEU A 279 -10.361 0.069 -6.722 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.840 -2.308 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.245 0.264 -4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.580 -0.865 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.133 -1.616 -5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -6.069 -1.582 -4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.825 0.027 -4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -7.033 -0.984 -3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.432 -3.627 -4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.403 -3.069 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.204 -3.528 -4.740 1.00 0.00 H new ATOM 589 N PRO A 280 -12.507 -1.245 -3.390 1.00 0.00 N ATOM 590 CA PRO A 280 -13.755 -0.864 -2.735 1.00 0.00 C ATOM 591 C PRO A 280 -13.597 0.405 -1.891 1.00 0.00 C ATOM 592 O PRO A 280 -12.549 0.646 -1.295 1.00 0.00 O ATOM 593 CB PRO A 280 -14.144 -2.072 -1.871 1.00 0.00 C ATOM 594 CG PRO A 280 -12.820 -2.763 -1.566 1.00 0.00 C ATOM 595 CD PRO A 280 -11.970 -2.458 -2.788 1.00 0.00 C ATOM 0 HA PRO A 280 -14.528 -0.623 -3.465 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.649 -1.760 -0.957 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.826 -2.737 -2.401 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.366 -2.375 -0.654 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -12.950 -3.836 -1.426 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.926 -2.319 -2.506 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -12.002 -3.286 -3.496 1.00 0.00 H new ATOM 603 N ASP A 281 -14.669 1.196 -1.792 1.00 0.00 N ATOM 604 CA ASP A 281 -14.722 2.417 -0.967 1.00 0.00 C ATOM 605 C ASP A 281 -14.686 2.129 0.550 1.00 0.00 C ATOM 606 O ASP A 281 -14.430 3.029 1.350 1.00 0.00 O ATOM 607 CB ASP A 281 -15.982 3.219 -1.323 1.00 0.00 C ATOM 608 CG ASP A 281 -15.952 3.752 -2.765 1.00 0.00 C ATOM 609 OD1 ASP A 281 -15.259 4.768 -3.014 1.00 0.00 O ATOM 610 OD2 ASP A 281 -16.640 3.166 -3.637 1.00 0.00 O ATOM 0 H ASP A 281 -15.540 1.008 -2.288 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.826 2.996 -1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -16.860 2.587 -1.191 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.084 4.056 -0.632 1.00 0.00 H new ATOM 615 N ASN A 282 -14.895 0.868 0.933 1.00 0.00 N ATOM 616 CA ASN A 282 -14.874 0.348 2.305 1.00 0.00 C ATOM 617 C ASN A 282 -13.694 -0.616 2.554 1.00 0.00 C ATOM 618 O ASN A 282 -13.730 -1.410 3.496 1.00 0.00 O ATOM 619 CB ASN A 282 -16.248 -0.280 2.608 1.00 0.00 C ATOM 620 CG ASN A 282 -16.579 -1.464 1.698 1.00 0.00 C ATOM 621 OD1 ASN A 282 -16.074 -2.567 1.863 1.00 0.00 O ATOM 622 ND2 ASN A 282 -17.429 -1.269 0.704 1.00 0.00 N ATOM 0 H ASN A 282 -15.096 0.136 0.252 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.703 1.168 3.003 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.269 -0.610 3.647 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -17.021 0.481 2.500 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -17.664 -2.037 0.075 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -17.850 -0.350 0.566 1.00 0.00 H new ATOM 629 N TRP A 283 -12.642 -0.549 1.723 1.00 0.00 N ATOM 630 CA TRP A 283 -11.394 -1.294 1.921 1.00 0.00 C ATOM 631 C TRP A 283 -10.843 -1.120 3.347 1.00 0.00 C ATOM 632 O TRP A 283 -10.808 -0.017 3.886 1.00 0.00 O ATOM 633 CB TRP A 283 -10.345 -0.862 0.888 1.00 0.00 C ATOM 634 CG TRP A 283 -9.161 -1.768 0.869 1.00 0.00 C ATOM 635 CD1 TRP A 283 -9.002 -2.830 0.050 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.018 -1.778 1.778 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.854 -3.516 0.404 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.225 -2.926 1.482 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.600 -0.964 2.856 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.085 -3.249 2.228 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.462 -1.283 3.613 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.710 -2.425 3.299 1.00 0.00 C ATOM 0 H TRP A 283 -12.637 0.032 0.885 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.618 -2.352 1.782 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.800 -0.842 -0.102 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.018 0.154 1.109 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.668 -3.102 -0.756 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.515 -4.352 -0.072 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.168 -0.079 3.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.501 -4.123 1.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.166 -0.650 4.436 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -4.837 -2.671 3.886 1.00 0.00 H new ATOM 653 N SER A 284 -10.382 -2.200 3.960 1.00 0.00 N ATOM 654 CA SER A 284 -9.843 -2.227 5.323 1.00 0.00 C ATOM 655 C SER A 284 -8.683 -3.221 5.412 1.00 0.00 C ATOM 656 O SER A 284 -8.480 -4.020 4.494 1.00 0.00 O ATOM 657 CB SER A 284 -10.957 -2.595 6.319 1.00 0.00 C ATOM 658 OG SER A 284 -11.496 -3.887 6.056 1.00 0.00 O ATOM 0 H SER A 284 -10.370 -3.116 3.512 1.00 0.00 H new ATOM 0 HA SER A 284 -9.464 -1.237 5.578 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.561 -2.566 7.334 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.752 -1.852 6.266 1.00 0.00 H new ATOM 0 HG SER A 284 -12.199 -4.087 6.709 1.00 0.00 H new ATOM 664 N CYS A 285 -7.940 -3.208 6.522 1.00 0.00 N ATOM 665 CA CYS A 285 -6.842 -4.154 6.762 1.00 0.00 C ATOM 666 C CYS A 285 -7.253 -5.635 6.537 1.00 0.00 C ATOM 667 O CYS A 285 -6.446 -6.444 6.084 1.00 0.00 O ATOM 668 CB CYS A 285 -6.309 -3.994 8.195 1.00 0.00 C ATOM 669 SG CYS A 285 -5.812 -2.298 8.596 1.00 0.00 S ATOM 0 H CYS A 285 -8.081 -2.542 7.281 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.066 -3.915 6.035 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.078 -4.315 8.898 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.455 -4.657 8.333 1.00 0.00 H new ATOM 0 HG CYS A 285 -6.835 -1.505 8.472 1.00 0.00 H new ATOM 674 N ASP A 286 -8.516 -5.990 6.806 1.00 0.00 N ATOM 675 CA ASP A 286 -9.096 -7.327 6.578 1.00 0.00 C ATOM 676 C ASP A 286 -9.172 -7.727 5.086 1.00 0.00 C ATOM 677 O ASP A 286 -9.335 -8.903 4.759 1.00 0.00 O ATOM 678 CB ASP A 286 -10.485 -7.360 7.232 1.00 0.00 C ATOM 679 CG ASP A 286 -11.127 -8.759 7.218 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.631 -9.656 7.939 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.153 -8.942 6.519 1.00 0.00 O ATOM 0 H ASP A 286 -9.189 -5.334 7.202 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.435 -8.066 7.031 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.403 -7.015 8.263 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.141 -6.661 6.713 1.00 0.00 H new ATOM 686 N GLN A 287 -9.020 -6.759 4.177 1.00 0.00 N ATOM 687 CA GLN A 287 -9.059 -6.907 2.721 1.00 0.00 C ATOM 688 C GLN A 287 -7.649 -6.832 2.092 1.00 0.00 C ATOM 689 O GLN A 287 -7.513 -6.720 0.871 1.00 0.00 O ATOM 690 CB GLN A 287 -10.027 -5.844 2.159 1.00 0.00 C ATOM 691 CG GLN A 287 -11.484 -6.128 2.564 1.00 0.00 C ATOM 692 CD GLN A 287 -12.404 -4.932 2.341 1.00 0.00 C ATOM 693 OE1 GLN A 287 -12.850 -4.654 1.237 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.717 -4.172 3.370 1.00 0.00 N ATOM 0 H GLN A 287 -8.856 -5.792 4.457 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.428 -7.898 2.457 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.735 -4.858 2.521 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -9.950 -5.820 1.072 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -11.856 -6.978 1.992 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.515 -6.413 3.616 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.352 -4.392 4.297 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.325 -3.363 3.240 1.00 0.00 H new ATOM 703 N ASN A 288 -6.587 -6.909 2.906 1.00 0.00 N ATOM 704 CA ASN A 288 -5.195 -6.915 2.446 1.00 0.00 C ATOM 705 C ASN A 288 -4.777 -8.252 1.807 1.00 0.00 C ATOM 706 O ASN A 288 -5.271 -9.320 2.185 1.00 0.00 O ATOM 707 CB ASN A 288 -4.267 -6.570 3.624 1.00 0.00 C ATOM 708 CG ASN A 288 -2.920 -6.031 3.157 1.00 0.00 C ATOM 709 OD1 ASN A 288 -2.845 -5.181 2.283 1.00 0.00 O ATOM 710 ND2 ASN A 288 -1.820 -6.530 3.687 1.00 0.00 N ATOM 0 H ASN A 288 -6.675 -6.970 3.920 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.107 -6.161 1.664 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.751 -5.830 4.261 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.109 -7.460 4.233 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -0.907 -6.206 3.367 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -1.882 -7.240 4.417 1.00 0.00 H new ATOM 717 N THR A 289 -3.817 -8.192 0.874 1.00 0.00 N ATOM 718 CA THR A 289 -3.221 -9.368 0.213 1.00 0.00 C ATOM 719 C THR A 289 -2.094 -10.002 1.021 1.00 0.00 C ATOM 720 O THR A 289 -1.785 -11.174 0.811 1.00 0.00 O ATOM 721 CB THR A 289 -2.702 -8.994 -1.179 1.00 0.00 C ATOM 722 OG1 THR A 289 -1.856 -7.867 -1.072 1.00 0.00 O ATOM 723 CG2 THR A 289 -3.844 -8.650 -2.133 1.00 0.00 C ATOM 0 H THR A 289 -3.423 -7.309 0.549 1.00 0.00 H new ATOM 0 HA THR A 289 -4.017 -10.108 0.131 1.00 0.00 H new ATOM 0 HB THR A 289 -2.163 -9.854 -1.576 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.520 -7.625 -1.960 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.436 -8.390 -3.110 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.506 -9.510 -2.233 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.406 -7.804 -1.738 1.00 0.00 H new ATOM 731 N ASP A 290 -1.497 -9.259 1.956 1.00 0.00 N ATOM 732 CA ASP A 290 -0.336 -9.683 2.741 1.00 0.00 C ATOM 733 C ASP A 290 -0.739 -10.066 4.171 1.00 0.00 C ATOM 734 O ASP A 290 -1.181 -9.220 4.950 1.00 0.00 O ATOM 735 CB ASP A 290 0.723 -8.563 2.753 1.00 0.00 C ATOM 736 CG ASP A 290 2.145 -9.051 2.441 1.00 0.00 C ATOM 737 OD1 ASP A 290 2.444 -10.251 2.644 1.00 0.00 O ATOM 738 OD2 ASP A 290 2.976 -8.200 2.054 1.00 0.00 O ATOM 0 H ASP A 290 -1.817 -8.320 2.194 1.00 0.00 H new ATOM 0 HA ASP A 290 0.091 -10.570 2.274 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.442 -7.802 2.025 1.00 0.00 H new ATOM 0 HB3 ASP A 290 0.720 -8.084 3.732 1.00 0.00 H new ATOM 743 N VAL A 291 -0.548 -11.340 4.525 1.00 0.00 N ATOM 744 CA VAL A 291 -0.974 -11.926 5.817 1.00 0.00 C ATOM 745 C VAL A 291 -0.232 -11.348 7.028 1.00 0.00 C ATOM 746 O VAL A 291 -0.702 -11.455 8.159 1.00 0.00 O ATOM 747 CB VAL A 291 -0.832 -13.467 5.848 1.00 0.00 C ATOM 748 CG1 VAL A 291 -1.678 -14.111 4.742 1.00 0.00 C ATOM 749 CG2 VAL A 291 0.634 -13.925 5.723 1.00 0.00 C ATOM 0 H VAL A 291 -0.084 -12.014 3.915 1.00 0.00 H new ATOM 0 HA VAL A 291 -2.027 -11.654 5.893 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.197 -13.797 6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -1.564 -15.194 4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -2.726 -13.851 4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.345 -13.746 3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 291 0.679 -15.014 5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 291 1.047 -13.568 4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.214 -13.517 6.551 1.00 0.00 H new ATOM 759 N GLN A 292 0.919 -10.715 6.784 1.00 0.00 N ATOM 760 CA GLN A 292 1.706 -10.015 7.796 1.00 0.00 C ATOM 761 C GLN A 292 1.021 -8.744 8.319 1.00 0.00 C ATOM 762 O GLN A 292 1.367 -8.286 9.404 1.00 0.00 O ATOM 763 CB GLN A 292 3.120 -9.727 7.264 1.00 0.00 C ATOM 764 CG GLN A 292 3.223 -9.319 5.783 1.00 0.00 C ATOM 765 CD GLN A 292 4.549 -8.624 5.442 1.00 0.00 C ATOM 766 OE1 GLN A 292 5.575 -8.803 6.089 1.00 0.00 O ATOM 767 NE2 GLN A 292 4.591 -7.787 4.426 1.00 0.00 N ATOM 0 H GLN A 292 1.337 -10.676 5.854 1.00 0.00 H new ATOM 0 HA GLN A 292 1.787 -10.677 8.658 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.558 -8.933 7.869 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.731 -10.617 7.417 1.00 0.00 H new ATOM 0 HG2 GLN A 292 3.113 -10.206 5.159 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.396 -8.652 5.537 1.00 0.00 H new ATOM 0 HE21 GLN A 292 3.753 -7.618 3.869 1.00 0.00 H new ATOM 0 HE22 GLN A 292 5.461 -7.308 4.196 1.00 0.00 H new ATOM 776 N TYR A 293 0.029 -8.210 7.593 1.00 0.00 N ATOM 777 CA TYR A 293 -0.702 -6.981 7.951 1.00 0.00 C ATOM 778 C TYR A 293 -2.201 -7.040 7.579 1.00 0.00 C ATOM 779 O TYR A 293 -2.838 -6.010 7.355 1.00 0.00 O ATOM 780 CB TYR A 293 0.015 -5.761 7.348 1.00 0.00 C ATOM 781 CG TYR A 293 1.430 -5.541 7.853 1.00 0.00 C ATOM 782 CD1 TYR A 293 1.643 -4.826 9.045 1.00 0.00 C ATOM 783 CD2 TYR A 293 2.532 -6.082 7.165 1.00 0.00 C ATOM 784 CE1 TYR A 293 2.940 -4.665 9.565 1.00 0.00 C ATOM 785 CE2 TYR A 293 3.830 -5.945 7.683 1.00 0.00 C ATOM 786 CZ TYR A 293 4.041 -5.238 8.890 1.00 0.00 C ATOM 787 OH TYR A 293 5.299 -5.118 9.400 1.00 0.00 O ATOM 0 H TYR A 293 -0.296 -8.628 6.721 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.692 -6.883 9.037 1.00 0.00 H new ATOM 0 HB2 TYR A 293 0.044 -5.873 6.264 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.574 -4.869 7.560 1.00 0.00 H new ATOM 0 HD1 TYR A 293 0.801 -4.396 9.567 1.00 0.00 H new ATOM 0 HD2 TYR A 293 2.379 -6.606 6.233 1.00 0.00 H new ATOM 0 HE1 TYR A 293 3.094 -4.106 10.476 1.00 0.00 H new ATOM 0 HE2 TYR A 293 4.668 -6.380 7.159 1.00 0.00 H new ATOM 0 HH TYR A 293 5.936 -5.572 8.810 1.00 0.00 H new ATOM 797 N ASN A 294 -2.784 -8.244 7.520 1.00 0.00 N ATOM 798 CA ASN A 294 -4.172 -8.477 7.089 1.00 0.00 C ATOM 799 C ASN A 294 -5.233 -8.317 8.204 1.00 0.00 C ATOM 800 O ASN A 294 -6.334 -8.866 8.105 1.00 0.00 O ATOM 801 CB ASN A 294 -4.284 -9.823 6.351 1.00 0.00 C ATOM 802 CG ASN A 294 -4.261 -11.051 7.264 1.00 0.00 C ATOM 803 OD1 ASN A 294 -3.866 -11.002 8.424 1.00 0.00 O ATOM 804 ND2 ASN A 294 -4.698 -12.194 6.765 1.00 0.00 N ATOM 0 H ASN A 294 -2.296 -9.102 7.775 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.413 -7.676 6.391 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.209 -9.831 5.775 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.464 -9.901 5.637 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -4.706 -13.033 7.344 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -5.027 -12.237 5.800 1.00 0.00 H new ATOM 811 N ARG A 295 -4.898 -7.592 9.279 1.00 0.00 N ATOM 812 CA ARG A 295 -5.761 -7.334 10.437 1.00 0.00 C ATOM 813 C ARG A 295 -5.568 -5.923 10.985 1.00 0.00 C ATOM 814 O ARG A 295 -4.443 -5.454 11.156 1.00 0.00 O ATOM 815 CB ARG A 295 -5.441 -8.340 11.552 1.00 0.00 C ATOM 816 CG ARG A 295 -6.292 -9.610 11.480 1.00 0.00 C ATOM 817 CD ARG A 295 -5.863 -10.554 12.607 1.00 0.00 C ATOM 818 NE ARG A 295 -6.783 -11.698 12.740 1.00 0.00 N ATOM 819 CZ ARG A 295 -6.763 -12.611 13.705 1.00 0.00 C ATOM 820 NH1 ARG A 295 -5.869 -12.588 14.672 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.659 -13.574 13.711 1.00 0.00 N ATOM 0 H ARG A 295 -3.982 -7.152 9.369 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.794 -7.439 10.106 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.387 -8.613 11.495 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.595 -7.862 12.519 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.349 -9.362 11.577 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.165 -10.095 10.512 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -4.855 -10.919 12.412 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -5.827 -10.005 13.548 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.503 -11.798 12.024 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -5.162 -11.853 14.696 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -5.883 -13.305 15.397 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.366 -13.618 12.977 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.647 -14.277 14.450 1.00 0.00 H new ATOM 835 N CYS A 296 -6.677 -5.305 11.380 1.00 0.00 N ATOM 836 CA CYS A 296 -6.743 -4.001 12.038 1.00 0.00 C ATOM 837 C CYS A 296 -6.070 -3.932 13.426 1.00 0.00 C ATOM 838 O CYS A 296 -5.801 -2.845 13.941 1.00 0.00 O ATOM 839 CB CYS A 296 -8.231 -3.660 12.151 1.00 0.00 C ATOM 840 SG CYS A 296 -8.773 -2.796 10.656 1.00 0.00 S ATOM 0 H CYS A 296 -7.599 -5.719 11.244 1.00 0.00 H new ATOM 0 HA CYS A 296 -6.180 -3.285 11.439 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.814 -4.571 12.288 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.406 -3.036 13.027 1.00 0.00 H new ATOM 0 HG CYS A 296 -7.742 -2.533 9.909 1.00 0.00 H new ATOM 845 N ASP A 297 -5.773 -5.088 14.019 1.00 0.00 N ATOM 846 CA ASP A 297 -5.113 -5.223 15.318 1.00 0.00 C ATOM 847 C ASP A 297 -3.584 -5.325 15.155 1.00 0.00 C ATOM 848 O ASP A 297 -2.848 -5.430 16.136 1.00 0.00 O ATOM 849 CB ASP A 297 -5.739 -6.433 16.021 1.00 0.00 C ATOM 850 CG ASP A 297 -5.320 -6.566 17.496 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.602 -5.635 18.290 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.754 -7.622 17.867 1.00 0.00 O ATOM 0 H ASP A 297 -5.993 -5.988 13.593 1.00 0.00 H new ATOM 0 HA ASP A 297 -5.267 -4.339 15.937 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.825 -6.355 15.965 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.457 -7.340 15.487 1.00 0.00 H new ATOM 857 N ILE A 298 -3.102 -5.261 13.908 1.00 0.00 N ATOM 858 CA ILE A 298 -1.683 -5.259 13.553 1.00 0.00 C ATOM 859 C ILE A 298 -1.242 -3.813 13.283 1.00 0.00 C ATOM 860 O ILE A 298 -1.904 -3.123 12.496 1.00 0.00 O ATOM 861 CB ILE A 298 -1.391 -6.163 12.335 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.927 -7.583 12.609 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.118 -6.193 12.059 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.662 -8.596 11.489 1.00 0.00 C ATOM 0 H ILE A 298 -3.712 -5.207 13.093 1.00 0.00 H new ATOM 0 HA ILE A 298 -1.113 -5.669 14.386 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.892 -5.765 11.453 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.478 -7.955 13.530 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -3.002 -7.524 12.780 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.318 -6.832 11.199 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.470 -5.183 11.850 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.640 -6.586 12.932 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -2.074 -9.565 11.770 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -2.135 -8.253 10.569 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.588 -8.691 11.331 1.00 0.00 H new ATOM 876 N PRO A 299 -0.124 -3.368 13.886 1.00 0.00 N ATOM 877 CA PRO A 299 0.406 -2.018 13.735 1.00 0.00 C ATOM 878 C PRO A 299 0.800 -1.713 12.289 1.00 0.00 C ATOM 879 O PRO A 299 0.998 -2.615 11.478 1.00 0.00 O ATOM 880 CB PRO A 299 1.610 -1.957 14.679 1.00 0.00 C ATOM 881 CG PRO A 299 2.070 -3.405 14.815 1.00 0.00 C ATOM 882 CD PRO A 299 0.762 -4.178 14.712 1.00 0.00 C ATOM 0 HA PRO A 299 -0.341 -1.264 13.982 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.401 -1.327 14.272 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.334 -1.537 15.646 1.00 0.00 H new ATOM 0 HG2 PRO A 299 2.769 -3.684 14.027 1.00 0.00 H new ATOM 0 HG3 PRO A 299 2.573 -3.583 15.765 1.00 0.00 H new ATOM 0 HD2 PRO A 299 0.923 -5.159 14.264 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.330 -4.345 15.699 1.00 0.00 H new ATOM 890 N GLU A 300 0.912 -0.425 11.956 1.00 0.00 N ATOM 891 CA GLU A 300 1.323 0.037 10.641 1.00 0.00 C ATOM 892 C GLU A 300 2.780 -0.373 10.335 1.00 0.00 C ATOM 893 O GLU A 300 3.666 -0.246 11.186 1.00 0.00 O ATOM 894 CB GLU A 300 1.131 1.563 10.587 1.00 0.00 C ATOM 895 CG GLU A 300 0.845 1.985 9.152 1.00 0.00 C ATOM 896 CD GLU A 300 0.856 3.505 8.945 1.00 0.00 C ATOM 897 OE1 GLU A 300 1.818 4.188 9.370 1.00 0.00 O ATOM 898 OE2 GLU A 300 -0.106 4.013 8.327 1.00 0.00 O ATOM 0 H GLU A 300 0.715 0.334 12.608 1.00 0.00 H new ATOM 0 HA GLU A 300 0.709 -0.431 9.871 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.308 1.860 11.236 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.025 2.067 10.955 1.00 0.00 H new ATOM 0 HG2 GLU A 300 1.587 1.532 8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 300 -0.127 1.593 8.854 1.00 0.00 H new ATOM 1027 N ARG B 2 -9.012 5.882 1.194 1.00 0.00 N ATOM 1028 CA ARG B 2 -7.974 6.648 0.480 1.00 0.00 C ATOM 1029 C ARG B 2 -6.926 5.727 -0.153 1.00 0.00 C ATOM 1030 O ARG B 2 -6.654 4.628 0.339 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.271 7.677 1.381 1.00 0.00 C ATOM 1032 CG ARG B 2 -8.137 8.915 1.649 1.00 0.00 C ATOM 1033 CD ARG B 2 -7.342 9.974 2.422 1.00 0.00 C ATOM 1034 NE ARG B 2 -8.125 11.208 2.609 1.00 0.00 N ATOM 1035 CZ ARG B 2 -7.772 12.255 3.348 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -6.648 12.278 4.035 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -8.556 13.310 3.402 1.00 0.00 N ATOM 0 HA ARG B 2 -8.498 7.189 -0.308 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -7.012 7.207 2.330 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.336 7.986 0.913 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -8.486 9.332 0.705 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -9.022 8.630 2.218 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -7.052 9.575 3.394 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.422 10.204 1.885 1.00 0.00 H new ATOM 0 HE ARG B 2 -9.022 11.264 2.126 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -6.018 11.476 4.010 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -6.407 13.098 4.592 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -9.431 13.322 2.878 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -8.289 14.115 3.968 1.00 0.00 H new ATOM 1051 N THR B 3 -6.312 6.228 -1.224 1.00 0.00 N ATOM 1052 CA THR B 3 -5.321 5.552 -2.067 1.00 0.00 C ATOM 1053 C THR B 3 -4.241 6.539 -2.483 1.00 0.00 C ATOM 1054 O THR B 3 -4.510 7.720 -2.714 1.00 0.00 O ATOM 1055 CB THR B 3 -5.982 4.930 -3.307 1.00 0.00 C ATOM 1056 OG1 THR B 3 -6.934 5.820 -3.857 1.00 0.00 O ATOM 1057 CG2 THR B 3 -6.678 3.616 -2.954 1.00 0.00 C ATOM 0 H THR B 3 -6.504 7.176 -1.548 1.00 0.00 H new ATOM 0 HA THR B 3 -4.868 4.746 -1.489 1.00 0.00 H new ATOM 0 HB THR B 3 -5.197 4.734 -4.037 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.346 5.411 -4.647 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.138 3.196 -3.849 1.00 0.00 H new ATOM 0 HG22 THR B 3 -5.947 2.912 -2.557 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.447 3.802 -2.204 1.00 0.00 H new