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= 0.991 K(o=1.5,f=0.94) USER MOD Set 2.1: A 259 CYS SG : rot -176:sc= 1.14 USER MOD Set 2.2: A 264 CYS SG : rot 145:sc= 1.69 USER MOD Set 2.3: A 266 LYS NZ :NH3+ -122:sc= 0.875 (180deg=0.267) USER MOD Set 2.4: A 285 CYS SG : rot 61:sc= 2.88 USER MOD Set 2.5: A 296 CYS SG : rot -13:sc= 1.26 USER MOD Single : A 258 GLN : amide:sc= 0.775 K(o=0.78,f=-1.8!) USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : A 263 ASN : amide:sc= -0.158 K(o=-0.16,f=-0.89) USER MOD Single : A 277 SER OG : rot -34:sc= 0.00685 USER MOD Single : A 282 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 288 ASN : amide:sc= -0.345 X(o=-0.35,f=-0.61) USER MOD Single : A 289 THR OG1 : rot 150:sc= 0.00805 USER MOD Single : A 292 GLN : amide:sc= 1.11 K(o=1.1,f=-0.3) USER MOD Single : A 293 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 ASN : amide:sc= -0.0954 K(o=-0.095,f=-1.1) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 194 N VAL A 255 1.372 0.221 -4.837 1.00 0.00 N ATOM 195 CA VAL A 255 0.053 0.782 -4.497 1.00 0.00 C ATOM 196 C VAL A 255 -0.203 0.548 -3.006 1.00 0.00 C ATOM 197 O VAL A 255 -0.134 -0.589 -2.535 1.00 0.00 O ATOM 198 CB VAL A 255 -1.079 0.147 -5.343 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.453 0.759 -5.007 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.823 0.312 -6.851 1.00 0.00 C ATOM 0 HA VAL A 255 0.056 1.849 -4.720 1.00 0.00 H new ATOM 0 HB VAL A 255 -1.085 -0.914 -5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -3.221 0.288 -5.621 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.678 0.593 -3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.434 1.830 -5.209 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.638 -0.146 -7.411 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.765 1.372 -7.096 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.116 -0.173 -7.116 1.00 0.00 H new ATOM 210 N TRP A 256 -0.501 1.622 -2.272 1.00 0.00 N ATOM 211 CA TRP A 256 -0.910 1.572 -0.867 1.00 0.00 C ATOM 212 C TRP A 256 -2.408 1.895 -0.731 1.00 0.00 C ATOM 213 O TRP A 256 -2.936 2.752 -1.445 1.00 0.00 O ATOM 214 CB TRP A 256 -0.103 2.572 -0.027 1.00 0.00 C ATOM 215 CG TRP A 256 1.377 2.404 0.096 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.296 2.916 -0.749 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.138 1.707 1.132 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.563 2.615 -0.299 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.529 1.820 0.823 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.793 0.963 2.282 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.523 1.180 1.577 1.00 0.00 C ATOM 222 CZ3 TRP A 256 2.784 0.292 3.026 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.142 0.396 2.678 1.00 0.00 C ATOM 0 H TRP A 256 -0.464 2.570 -2.646 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.720 0.563 -0.502 1.00 0.00 H new ATOM 0 HB2 TRP A 256 -0.286 3.565 -0.437 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.518 2.562 0.981 1.00 0.00 H new ATOM 0 HD1 TRP A 256 2.072 3.478 -1.644 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.421 2.942 -0.743 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.760 0.908 2.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.565 1.288 1.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.496 -0.310 3.875 1.00 0.00 H new ATOM 0 HH2 TRP A 256 4.890 -0.126 3.256 1.00 0.00 H new ATOM 234 N VAL A 257 -3.067 1.258 0.237 1.00 0.00 N ATOM 235 CA VAL A 257 -4.500 1.443 0.558 1.00 0.00 C ATOM 236 C VAL A 257 -4.683 1.781 2.034 1.00 0.00 C ATOM 237 O VAL A 257 -4.094 1.121 2.888 1.00 0.00 O ATOM 238 CB VAL A 257 -5.338 0.189 0.223 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.731 0.180 -1.254 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.626 -1.131 0.562 1.00 0.00 C ATOM 0 H VAL A 257 -2.613 0.576 0.844 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.853 2.269 -0.059 1.00 0.00 H new ATOM 0 HB VAL A 257 -6.227 0.252 0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.320 -0.711 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.322 1.068 -1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.832 0.177 -1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -5.271 -1.970 0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.697 -1.199 -0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -4.405 -1.161 1.629 1.00 0.00 H new ATOM 250 N GLN A 258 -5.482 2.811 2.328 1.00 0.00 N ATOM 251 CA GLN A 258 -5.757 3.260 3.694 1.00 0.00 C ATOM 252 C GLN A 258 -7.062 2.650 4.223 1.00 0.00 C ATOM 253 O GLN A 258 -8.106 2.720 3.568 1.00 0.00 O ATOM 254 CB GLN A 258 -5.786 4.794 3.768 1.00 0.00 C ATOM 255 CG GLN A 258 -5.813 5.302 5.223 1.00 0.00 C ATOM 256 CD GLN A 258 -5.612 6.817 5.333 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.185 7.613 4.602 1.00 0.00 O ATOM 258 NE2 GLN A 258 -4.799 7.278 6.262 1.00 0.00 N ATOM 0 H GLN A 258 -5.961 3.362 1.616 1.00 0.00 H new ATOM 0 HA GLN A 258 -4.948 2.910 4.335 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -4.911 5.198 3.259 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.663 5.166 3.238 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.767 5.034 5.678 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.034 4.796 5.793 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.312 6.630 6.881 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -4.657 8.283 6.362 1.00 0.00 H new ATOM 267 N CYS A 259 -6.985 2.087 5.431 1.00 0.00 N ATOM 268 CA CYS A 259 -8.089 1.473 6.163 1.00 0.00 C ATOM 269 C CYS A 259 -9.299 2.422 6.337 1.00 0.00 C ATOM 270 O CYS A 259 -9.145 3.614 6.630 1.00 0.00 O ATOM 271 CB CYS A 259 -7.518 1.025 7.513 1.00 0.00 C ATOM 272 SG CYS A 259 -8.659 -0.128 8.316 1.00 0.00 S ATOM 0 H CYS A 259 -6.107 2.046 5.948 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.485 0.627 5.602 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.549 0.548 7.367 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.353 1.892 8.153 1.00 0.00 H new ATOM 0 HG CYS A 259 -8.201 -0.445 9.491 1.00 0.00 H new ATOM 277 N SER A 260 -10.510 1.894 6.166 1.00 0.00 N ATOM 278 CA SER A 260 -11.771 2.643 6.279 1.00 0.00 C ATOM 279 C SER A 260 -12.089 3.119 7.706 1.00 0.00 C ATOM 280 O SER A 260 -12.812 4.108 7.870 1.00 0.00 O ATOM 281 CB SER A 260 -12.947 1.809 5.744 1.00 0.00 C ATOM 282 OG SER A 260 -13.065 0.565 6.419 1.00 0.00 O ATOM 0 H SER A 260 -10.650 0.909 5.939 1.00 0.00 H new ATOM 0 HA SER A 260 -11.633 3.538 5.672 1.00 0.00 H new ATOM 0 HB2 SER A 260 -13.873 2.373 5.857 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.810 1.632 4.677 1.00 0.00 H new ATOM 0 HG SER A 260 -13.824 0.065 6.052 1.00 0.00 H new ATOM 288 N PHE A 261 -11.546 2.467 8.744 1.00 0.00 N ATOM 289 CA PHE A 261 -11.745 2.877 10.131 1.00 0.00 C ATOM 290 C PHE A 261 -10.880 4.093 10.502 1.00 0.00 C ATOM 291 O PHE A 261 -9.675 4.100 10.224 1.00 0.00 O ATOM 292 CB PHE A 261 -11.473 1.711 11.083 1.00 0.00 C ATOM 293 CG PHE A 261 -12.445 0.558 10.970 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.752 0.688 11.476 1.00 0.00 C ATOM 295 CD2 PHE A 261 -12.035 -0.656 10.386 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.646 -0.394 11.394 1.00 0.00 C ATOM 297 CE2 PHE A 261 -12.924 -1.738 10.317 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.234 -1.609 10.816 1.00 0.00 C ATOM 0 H PHE A 261 -10.957 1.641 8.640 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.788 3.177 10.234 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.466 1.338 10.899 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.492 2.085 12.107 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -14.068 1.617 11.927 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -11.035 -0.754 9.991 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.651 -0.292 11.776 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.603 -2.672 9.880 1.00 0.00 H new ATOM 0 HZ PHE A 261 -14.921 -2.440 10.755 1.00 0.00 H new ATOM 308 N PRO A 262 -11.462 5.093 11.194 1.00 0.00 N ATOM 309 CA PRO A 262 -10.765 6.297 11.631 1.00 0.00 C ATOM 310 C PRO A 262 -9.782 6.020 12.776 1.00 0.00 C ATOM 311 O PRO A 262 -8.747 6.675 12.879 1.00 0.00 O ATOM 312 CB PRO A 262 -11.885 7.238 12.076 1.00 0.00 C ATOM 313 CG PRO A 262 -12.992 6.308 12.570 1.00 0.00 C ATOM 314 CD PRO A 262 -12.849 5.110 11.640 1.00 0.00 C ATOM 0 HA PRO A 262 -10.150 6.718 10.835 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.549 7.910 12.866 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.230 7.863 11.252 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -12.854 6.030 13.615 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -13.976 6.769 12.490 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.101 4.185 12.158 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.528 5.195 10.791 1.00 0.00 H new ATOM 322 N ASN A 263 -10.080 5.013 13.605 1.00 0.00 N ATOM 323 CA ASN A 263 -9.197 4.511 14.666 1.00 0.00 C ATOM 324 C ASN A 263 -8.020 3.658 14.139 1.00 0.00 C ATOM 325 O ASN A 263 -7.114 3.316 14.906 1.00 0.00 O ATOM 326 CB ASN A 263 -10.043 3.758 15.706 1.00 0.00 C ATOM 327 CG ASN A 263 -10.770 2.544 15.128 1.00 0.00 C ATOM 328 OD1 ASN A 263 -10.163 1.566 14.712 1.00 0.00 O ATOM 329 ND2 ASN A 263 -12.091 2.577 15.067 1.00 0.00 N ATOM 0 H ASN A 263 -10.966 4.510 13.556 1.00 0.00 H new ATOM 0 HA ASN A 263 -8.719 5.368 15.140 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.398 3.432 16.522 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -10.776 4.443 16.133 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -12.603 1.788 14.673 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -12.597 3.392 15.414 1.00 0.00 H new ATOM 336 N CYS A 264 -8.010 3.352 12.832 1.00 0.00 N ATOM 337 CA CYS A 264 -6.919 2.708 12.109 1.00 0.00 C ATOM 338 C CYS A 264 -6.160 3.779 11.314 1.00 0.00 C ATOM 339 O CYS A 264 -5.110 4.264 11.752 1.00 0.00 O ATOM 340 CB CYS A 264 -7.499 1.599 11.214 1.00 0.00 C ATOM 341 SG CYS A 264 -6.458 0.117 11.213 1.00 0.00 S ATOM 0 H CYS A 264 -8.805 3.560 12.228 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.209 2.237 12.789 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.499 1.339 11.560 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.601 1.971 10.195 1.00 0.00 H new ATOM 0 HG CYS A 264 -7.209 -0.941 11.136 1.00 0.00 H new ATOM 346 N GLY A 265 -6.685 4.144 10.133 1.00 0.00 N ATOM 347 CA GLY A 265 -6.028 5.017 9.173 1.00 0.00 C ATOM 348 C GLY A 265 -4.712 4.442 8.645 1.00 0.00 C ATOM 349 O GLY A 265 -3.914 5.178 8.061 1.00 0.00 O ATOM 0 H GLY A 265 -7.603 3.826 9.821 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.701 5.198 8.335 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -5.835 5.982 9.641 1.00 0.00 H new ATOM 353 N LYS A 266 -4.463 3.143 8.856 1.00 0.00 N ATOM 354 CA LYS A 266 -3.222 2.475 8.471 1.00 0.00 C ATOM 355 C LYS A 266 -3.144 2.268 6.956 1.00 0.00 C ATOM 356 O LYS A 266 -4.156 1.969 6.316 1.00 0.00 O ATOM 357 CB LYS A 266 -3.089 1.124 9.191 1.00 0.00 C ATOM 358 CG LYS A 266 -2.981 1.254 10.711 1.00 0.00 C ATOM 359 CD LYS A 266 -2.758 -0.144 11.299 1.00 0.00 C ATOM 360 CE LYS A 266 -2.618 -0.088 12.813 1.00 0.00 C ATOM 361 NZ LYS A 266 -3.934 0.119 13.476 1.00 0.00 N ATOM 0 H LYS A 266 -5.133 2.520 9.307 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.396 3.121 8.770 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -3.952 0.504 8.947 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.207 0.605 8.815 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.156 1.914 10.978 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.889 1.697 11.120 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.593 -0.791 11.032 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -1.861 -0.585 10.864 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.170 -1.015 13.172 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -1.940 0.721 13.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -3.899 0.983 14.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -4.675 0.216 12.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.148 -0.697 14.084 1.00 0.00 H new ATOM 375 N TRP A 267 -1.941 2.370 6.390 1.00 0.00 N ATOM 376 CA TRP A 267 -1.667 2.050 4.998 1.00 0.00 C ATOM 377 C TRP A 267 -1.124 0.622 4.904 1.00 0.00 C ATOM 378 O TRP A 267 -0.163 0.279 5.590 1.00 0.00 O ATOM 379 CB TRP A 267 -0.682 3.082 4.437 1.00 0.00 C ATOM 380 CG TRP A 267 -1.228 4.473 4.351 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.148 5.421 5.310 1.00 0.00 C ATOM 382 CD2 TRP A 267 -1.965 5.084 3.253 1.00 0.00 C ATOM 383 NE1 TRP A 267 -1.760 6.580 4.870 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.275 6.431 3.599 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.416 4.623 2.001 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -2.962 7.286 2.725 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.107 5.467 1.116 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.356 6.805 1.465 1.00 0.00 C ATOM 0 H TRP A 267 -1.116 2.684 6.901 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.578 2.095 4.401 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.210 3.093 5.063 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.369 2.765 3.442 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -0.678 5.293 6.274 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -1.823 7.439 5.417 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.227 3.599 1.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.185 8.302 3.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.448 5.086 0.165 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -3.850 7.463 0.765 1.00 0.00 H new ATOM 399 N ARG A 268 -1.728 -0.211 4.052 1.00 0.00 N ATOM 400 CA ARG A 268 -1.221 -1.550 3.729 1.00 0.00 C ATOM 401 C ARG A 268 -0.751 -1.597 2.274 1.00 0.00 C ATOM 402 O ARG A 268 -1.294 -0.899 1.406 1.00 0.00 O ATOM 403 CB ARG A 268 -2.260 -2.641 4.022 1.00 0.00 C ATOM 404 CG ARG A 268 -2.908 -2.594 5.416 1.00 0.00 C ATOM 405 CD ARG A 268 -1.944 -2.634 6.602 1.00 0.00 C ATOM 406 NE ARG A 268 -2.716 -2.742 7.847 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.240 -2.861 9.072 1.00 0.00 C ATOM 408 NH1 ARG A 268 -0.973 -2.689 9.377 1.00 0.00 N ATOM 409 NH2 ARG A 268 -3.070 -3.150 10.034 1.00 0.00 N ATOM 0 H ARG A 268 -2.591 0.026 3.562 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.367 -1.754 4.374 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -3.049 -2.575 3.273 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.783 -3.613 3.897 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.504 -1.684 5.488 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.597 -3.434 5.504 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -1.265 -3.481 6.506 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.330 -1.734 6.618 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.732 -2.723 7.754 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.301 -2.450 8.648 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.662 -2.794 10.343 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -4.061 -3.279 9.831 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.728 -3.248 10.990 1.00 0.00 H new ATOM 423 N ARG A 269 0.292 -2.396 2.047 1.00 0.00 N ATOM 424 CA ARG A 269 1.053 -2.519 0.802 1.00 0.00 C ATOM 425 C ARG A 269 0.484 -3.646 -0.070 1.00 0.00 C ATOM 426 O ARG A 269 0.371 -4.784 0.390 1.00 0.00 O ATOM 427 CB ARG A 269 2.517 -2.778 1.199 1.00 0.00 C ATOM 428 CG ARG A 269 3.455 -2.927 0.004 1.00 0.00 C ATOM 429 CD ARG A 269 4.924 -2.867 0.433 1.00 0.00 C ATOM 430 NE ARG A 269 5.820 -3.150 -0.703 1.00 0.00 N ATOM 431 CZ ARG A 269 7.138 -3.294 -0.646 1.00 0.00 C ATOM 432 NH1 ARG A 269 7.803 -3.197 0.487 1.00 0.00 N ATOM 433 NH2 ARG A 269 7.813 -3.549 -1.747 1.00 0.00 N ATOM 0 H ARG A 269 0.651 -3.014 2.774 1.00 0.00 H new ATOM 0 HA ARG A 269 0.986 -1.611 0.203 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.866 -1.957 1.825 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.566 -3.683 1.804 1.00 0.00 H new ATOM 0 HG2 ARG A 269 3.260 -3.875 -0.497 1.00 0.00 H new ATOM 0 HG3 ARG A 269 3.253 -2.137 -0.719 1.00 0.00 H new ATOM 0 HD2 ARG A 269 5.147 -1.881 0.840 1.00 0.00 H new ATOM 0 HD3 ARG A 269 5.103 -3.588 1.230 1.00 0.00 H new ATOM 0 HE ARG A 269 5.385 -3.244 -1.621 1.00 0.00 H new ATOM 0 HH11 ARG A 269 7.305 -3.006 1.356 1.00 0.00 H new ATOM 0 HH12 ARG A 269 8.816 -3.313 0.495 1.00 0.00 H new ATOM 0 HH21 ARG A 269 7.323 -3.635 -2.637 1.00 0.00 H new ATOM 0 HH22 ARG A 269 8.826 -3.661 -1.710 1.00 0.00 H new ATOM 447 N LEU A 270 0.135 -3.329 -1.321 1.00 0.00 N ATOM 448 CA LEU A 270 -0.453 -4.270 -2.285 1.00 0.00 C ATOM 449 C LEU A 270 0.575 -4.786 -3.302 1.00 0.00 C ATOM 450 O LEU A 270 1.666 -4.233 -3.456 1.00 0.00 O ATOM 451 CB LEU A 270 -1.654 -3.609 -2.994 1.00 0.00 C ATOM 452 CG LEU A 270 -2.773 -3.110 -2.060 1.00 0.00 C ATOM 453 CD1 LEU A 270 -3.928 -2.603 -2.929 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.294 -4.201 -1.110 1.00 0.00 C ATOM 0 H LEU A 270 0.255 -2.390 -1.702 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.800 -5.142 -1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.290 -2.766 -3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -2.081 -4.326 -3.696 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.360 -2.319 -1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.734 -2.244 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.577 -1.788 -3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.296 -3.416 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.080 -3.788 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.695 -5.030 -1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.477 -4.559 -0.484 1.00 0.00 H new ATOM 529 N PRO A 276 -5.912 0.802 -8.094 1.00 0.00 N ATOM 530 CA PRO A 276 -6.759 1.428 -7.082 1.00 0.00 C ATOM 531 C PRO A 276 -8.128 1.897 -7.606 1.00 0.00 C ATOM 532 O PRO A 276 -9.034 2.114 -6.806 1.00 0.00 O ATOM 533 CB PRO A 276 -5.923 2.566 -6.489 1.00 0.00 C ATOM 534 CG PRO A 276 -4.922 2.903 -7.588 1.00 0.00 C ATOM 535 CD PRO A 276 -4.685 1.561 -8.272 1.00 0.00 C ATOM 0 HA PRO A 276 -7.037 0.699 -6.321 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.543 3.426 -6.237 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.420 2.256 -5.573 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.321 3.643 -8.282 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -3.999 3.314 -7.179 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.459 1.696 -9.330 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.836 1.041 -7.829 1.00 0.00 H new ATOM 543 N SER A 277 -8.333 1.978 -8.927 1.00 0.00 N ATOM 544 CA SER A 277 -9.641 2.264 -9.537 1.00 0.00 C ATOM 545 C SER A 277 -10.596 1.045 -9.517 1.00 0.00 C ATOM 546 O SER A 277 -11.795 1.207 -9.762 1.00 0.00 O ATOM 547 CB SER A 277 -9.425 2.788 -10.971 1.00 0.00 C ATOM 548 OG SER A 277 -10.558 3.466 -11.508 1.00 0.00 O ATOM 0 H SER A 277 -7.588 1.846 -9.611 1.00 0.00 H new ATOM 0 HA SER A 277 -10.133 3.030 -8.937 1.00 0.00 H new ATOM 0 HB2 SER A 277 -8.571 3.465 -10.977 1.00 0.00 H new ATOM 0 HB3 SER A 277 -9.172 1.950 -11.621 1.00 0.00 H new ATOM 0 HG SER A 277 -11.379 3.049 -11.172 1.00 0.00 H new ATOM 554 N VAL A 278 -10.109 -0.163 -9.175 1.00 0.00 N ATOM 555 CA VAL A 278 -10.924 -1.396 -9.027 1.00 0.00 C ATOM 556 C VAL A 278 -10.965 -1.921 -7.576 1.00 0.00 C ATOM 557 O VAL A 278 -11.289 -3.087 -7.341 1.00 0.00 O ATOM 558 CB VAL A 278 -10.557 -2.505 -10.051 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.718 -2.009 -11.499 1.00 0.00 C ATOM 560 CG2 VAL A 278 -9.153 -3.106 -9.873 1.00 0.00 C ATOM 0 H VAL A 278 -9.118 -0.318 -8.989 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.943 -1.095 -9.270 1.00 0.00 H new ATOM 0 HB VAL A 278 -11.267 -3.306 -9.845 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -10.453 -2.810 -12.189 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.753 -1.711 -11.669 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -10.062 -1.154 -11.666 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.986 -3.871 -10.631 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -8.405 -2.320 -9.979 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -9.072 -3.553 -8.882 1.00 0.00 H new ATOM 570 N LEU A 279 -10.660 -1.058 -6.594 1.00 0.00 N ATOM 571 CA LEU A 279 -10.739 -1.355 -5.156 1.00 0.00 C ATOM 572 C LEU A 279 -11.929 -0.632 -4.481 1.00 0.00 C ATOM 573 O LEU A 279 -12.351 0.427 -4.959 1.00 0.00 O ATOM 574 CB LEU A 279 -9.390 -1.023 -4.485 1.00 0.00 C ATOM 575 CG LEU A 279 -8.257 -1.988 -4.891 1.00 0.00 C ATOM 576 CD1 LEU A 279 -6.924 -1.490 -4.329 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.507 -3.403 -4.338 1.00 0.00 C ATOM 0 H LEU A 279 -10.343 -0.108 -6.785 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.931 -2.420 -5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.102 -0.005 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.513 -1.052 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.229 -2.023 -5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -6.128 -2.176 -4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.710 -0.497 -4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -6.983 -1.442 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.692 -4.061 -4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.558 -3.365 -3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.448 -3.787 -4.732 1.00 0.00 H new ATOM 589 N PRO A 280 -12.487 -1.215 -3.398 1.00 0.00 N ATOM 590 CA PRO A 280 -13.735 -0.782 -2.775 1.00 0.00 C ATOM 591 C PRO A 280 -13.565 0.506 -1.964 1.00 0.00 C ATOM 592 O PRO A 280 -12.519 0.750 -1.367 1.00 0.00 O ATOM 593 CB PRO A 280 -14.174 -1.953 -1.886 1.00 0.00 C ATOM 594 CG PRO A 280 -12.876 -2.678 -1.546 1.00 0.00 C ATOM 595 CD PRO A 280 -12.015 -2.445 -2.776 1.00 0.00 C ATOM 0 HA PRO A 280 -14.485 -0.541 -3.528 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.680 -1.601 -0.987 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.871 -2.609 -2.408 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.412 -2.272 -0.647 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -13.043 -3.740 -1.367 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.964 -2.359 -2.501 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -12.096 -3.283 -3.468 1.00 0.00 H new ATOM 603 N ASP A 281 -14.633 1.307 -1.894 1.00 0.00 N ATOM 604 CA ASP A 281 -14.691 2.545 -1.099 1.00 0.00 C ATOM 605 C ASP A 281 -14.709 2.295 0.424 1.00 0.00 C ATOM 606 O ASP A 281 -14.495 3.217 1.210 1.00 0.00 O ATOM 607 CB ASP A 281 -15.927 3.359 -1.513 1.00 0.00 C ATOM 608 CG ASP A 281 -15.851 3.850 -2.967 1.00 0.00 C ATOM 609 OD1 ASP A 281 -15.144 4.854 -3.224 1.00 0.00 O ATOM 610 OD2 ASP A 281 -16.518 3.246 -3.842 1.00 0.00 O ATOM 0 H ASP A 281 -15.499 1.112 -2.396 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.777 3.102 -1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -16.820 2.747 -1.386 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.032 4.217 -0.849 1.00 0.00 H new ATOM 615 N ASN A 282 -14.916 1.041 0.836 1.00 0.00 N ATOM 616 CA ASN A 282 -14.947 0.572 2.226 1.00 0.00 C ATOM 617 C ASN A 282 -13.824 -0.452 2.510 1.00 0.00 C ATOM 618 O ASN A 282 -13.956 -1.304 3.393 1.00 0.00 O ATOM 619 CB ASN A 282 -16.351 0.015 2.525 1.00 0.00 C ATOM 620 CG ASN A 282 -17.440 1.080 2.400 1.00 0.00 C ATOM 621 OD1 ASN A 282 -17.462 2.064 3.130 1.00 0.00 O ATOM 622 ND2 ASN A 282 -18.380 0.913 1.484 1.00 0.00 N ATOM 0 H ASN A 282 -15.075 0.283 0.172 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.752 1.406 2.900 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.567 -0.804 1.839 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.367 -0.400 3.533 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -19.124 1.604 1.385 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -18.361 0.094 0.877 1.00 0.00 H new ATOM 629 N TRP A 283 -12.721 -0.388 1.751 1.00 0.00 N ATOM 630 CA TRP A 283 -11.508 -1.177 1.989 1.00 0.00 C ATOM 631 C TRP A 283 -10.984 -1.009 3.429 1.00 0.00 C ATOM 632 O TRP A 283 -10.927 0.100 3.954 1.00 0.00 O ATOM 633 CB TRP A 283 -10.430 -0.787 0.968 1.00 0.00 C ATOM 634 CG TRP A 283 -9.270 -1.725 0.976 1.00 0.00 C ATOM 635 CD1 TRP A 283 -9.114 -2.795 0.165 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.156 -1.756 1.917 1.00 0.00 C ATOM 637 NE1 TRP A 283 -8.007 -3.516 0.570 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.403 -2.939 1.667 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.742 -0.935 2.991 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.310 -3.297 2.465 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.654 -1.292 3.802 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.954 -2.479 3.544 1.00 0.00 C ATOM 0 H TRP A 283 -12.647 0.226 0.940 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.759 -2.230 1.864 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.869 -0.766 -0.029 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.079 0.222 1.183 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.754 -3.047 -0.668 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.678 -4.368 0.115 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.273 -0.016 3.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.748 -4.194 2.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.357 -0.655 4.622 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -5.132 -2.765 4.184 1.00 0.00 H new ATOM 653 N SER A 284 -10.556 -2.100 4.056 1.00 0.00 N ATOM 654 CA SER A 284 -10.017 -2.148 5.423 1.00 0.00 C ATOM 655 C SER A 284 -8.883 -3.175 5.513 1.00 0.00 C ATOM 656 O SER A 284 -8.703 -3.972 4.589 1.00 0.00 O ATOM 657 CB SER A 284 -11.134 -2.507 6.417 1.00 0.00 C ATOM 658 OG SER A 284 -11.677 -3.801 6.164 1.00 0.00 O ATOM 0 H SER A 284 -10.573 -3.018 3.611 1.00 0.00 H new ATOM 0 HA SER A 284 -9.619 -1.166 5.676 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.741 -2.471 7.433 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.927 -1.762 6.356 1.00 0.00 H new ATOM 0 HG SER A 284 -12.382 -3.993 6.817 1.00 0.00 H new ATOM 664 N CYS A 285 -8.141 -3.202 6.627 1.00 0.00 N ATOM 665 CA CYS A 285 -7.057 -4.172 6.839 1.00 0.00 C ATOM 666 C CYS A 285 -7.499 -5.641 6.597 1.00 0.00 C ATOM 667 O CYS A 285 -6.703 -6.463 6.148 1.00 0.00 O ATOM 668 CB CYS A 285 -6.491 -4.047 8.267 1.00 0.00 C ATOM 669 SG CYS A 285 -5.841 -2.399 8.657 1.00 0.00 S ATOM 0 H CYS A 285 -8.273 -2.555 7.405 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.289 -3.932 6.104 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.276 -4.296 8.982 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.696 -4.781 8.398 1.00 0.00 H new ATOM 0 HG CYS A 285 -6.794 -1.521 8.555 1.00 0.00 H new ATOM 674 N ASP A 286 -8.774 -5.971 6.842 1.00 0.00 N ATOM 675 CA ASP A 286 -9.372 -7.294 6.595 1.00 0.00 C ATOM 676 C ASP A 286 -9.445 -7.678 5.097 1.00 0.00 C ATOM 677 O ASP A 286 -9.648 -8.845 4.758 1.00 0.00 O ATOM 678 CB ASP A 286 -10.766 -7.311 7.242 1.00 0.00 C ATOM 679 CG ASP A 286 -11.429 -8.699 7.216 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.940 -9.614 7.922 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.465 -8.858 6.526 1.00 0.00 O ATOM 0 H ASP A 286 -9.441 -5.304 7.230 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.725 -8.049 7.042 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.684 -6.974 8.275 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.409 -6.599 6.724 1.00 0.00 H new ATOM 686 N GLN A 287 -9.249 -6.709 4.198 1.00 0.00 N ATOM 687 CA GLN A 287 -9.313 -6.839 2.739 1.00 0.00 C ATOM 688 C GLN A 287 -7.907 -6.798 2.092 1.00 0.00 C ATOM 689 O GLN A 287 -7.773 -6.593 0.883 1.00 0.00 O ATOM 690 CB GLN A 287 -10.261 -5.744 2.209 1.00 0.00 C ATOM 691 CG GLN A 287 -11.720 -6.002 2.629 1.00 0.00 C ATOM 692 CD GLN A 287 -12.618 -4.782 2.435 1.00 0.00 C ATOM 693 OE1 GLN A 287 -13.084 -4.483 1.344 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.889 -4.024 3.478 1.00 0.00 N ATOM 0 H GLN A 287 -9.028 -5.756 4.486 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.712 -7.815 2.463 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.941 -4.772 2.585 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -10.197 -5.702 1.122 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -12.118 -6.835 2.050 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.744 -6.302 3.677 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.507 -4.261 4.394 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.480 -3.200 3.370 1.00 0.00 H new ATOM 703 N ASN A 288 -6.848 -6.991 2.886 1.00 0.00 N ATOM 704 CA ASN A 288 -5.451 -6.957 2.438 1.00 0.00 C ATOM 705 C ASN A 288 -5.003 -8.206 1.655 1.00 0.00 C ATOM 706 O ASN A 288 -5.487 -9.318 1.891 1.00 0.00 O ATOM 707 CB ASN A 288 -4.534 -6.725 3.654 1.00 0.00 C ATOM 708 CG ASN A 288 -3.156 -6.219 3.245 1.00 0.00 C ATOM 709 OD1 ASN A 288 -3.018 -5.388 2.358 1.00 0.00 O ATOM 710 ND2 ASN A 288 -2.094 -6.738 3.828 1.00 0.00 N ATOM 0 H ASN A 288 -6.941 -7.180 3.884 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.371 -6.132 1.730 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -5.000 -6.004 4.326 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.427 -7.656 4.210 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -1.160 -6.447 3.539 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -2.206 -7.431 4.568 1.00 0.00 H new ATOM 717 N THR A 289 -4.021 -8.018 0.761 1.00 0.00 N ATOM 718 CA THR A 289 -3.362 -9.082 -0.017 1.00 0.00 C ATOM 719 C THR A 289 -2.294 -9.839 0.768 1.00 0.00 C ATOM 720 O THR A 289 -1.927 -10.941 0.366 1.00 0.00 O ATOM 721 CB THR A 289 -2.757 -8.510 -1.306 1.00 0.00 C ATOM 722 OG1 THR A 289 -1.947 -7.393 -1.007 1.00 0.00 O ATOM 723 CG2 THR A 289 -3.854 -8.049 -2.263 1.00 0.00 C ATOM 0 H THR A 289 -3.650 -7.091 0.551 1.00 0.00 H new ATOM 0 HA THR A 289 -4.142 -9.804 -0.261 1.00 0.00 H new ATOM 0 HB THR A 289 -2.167 -9.299 -1.772 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.225 -7.327 -1.666 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.401 -7.647 -3.169 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.492 -8.895 -2.520 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.454 -7.275 -1.784 1.00 0.00 H new ATOM 731 N ASP A 290 -1.815 -9.287 1.888 1.00 0.00 N ATOM 732 CA ASP A 290 -0.762 -9.880 2.722 1.00 0.00 C ATOM 733 C ASP A 290 -1.267 -10.302 4.110 1.00 0.00 C ATOM 734 O ASP A 290 -1.772 -9.473 4.870 1.00 0.00 O ATOM 735 CB ASP A 290 0.423 -8.907 2.884 1.00 0.00 C ATOM 736 CG ASP A 290 1.774 -9.635 2.937 1.00 0.00 C ATOM 737 OD1 ASP A 290 1.798 -10.857 3.217 1.00 0.00 O ATOM 738 OD2 ASP A 290 2.814 -8.968 2.737 1.00 0.00 O ATOM 0 H ASP A 290 -2.156 -8.396 2.249 1.00 0.00 H new ATOM 0 HA ASP A 290 -0.434 -10.779 2.201 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.426 -8.201 2.054 1.00 0.00 H new ATOM 0 HB3 ASP A 290 0.290 -8.326 3.796 1.00 0.00 H new ATOM 743 N VAL A 291 -1.077 -11.575 4.464 1.00 0.00 N ATOM 744 CA VAL A 291 -1.568 -12.170 5.729 1.00 0.00 C ATOM 745 C VAL A 291 -0.836 -11.656 6.976 1.00 0.00 C ATOM 746 O VAL A 291 -1.370 -11.739 8.079 1.00 0.00 O ATOM 747 CB VAL A 291 -1.516 -13.716 5.719 1.00 0.00 C ATOM 748 CG1 VAL A 291 -2.359 -14.275 4.564 1.00 0.00 C ATOM 749 CG2 VAL A 291 -0.079 -14.264 5.626 1.00 0.00 C ATOM 0 H VAL A 291 -0.571 -12.239 3.878 1.00 0.00 H new ATOM 0 HA VAL A 291 -2.607 -11.846 5.788 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.930 -14.046 6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -2.311 -15.364 4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -3.395 -13.957 4.682 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.971 -13.902 3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 291 -0.105 -15.354 5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 291 0.387 -13.909 4.707 1.00 0.00 H new ATOM 0 HG23 VAL A 291 0.499 -13.917 6.483 1.00 0.00 H new ATOM 759 N GLN A 292 0.370 -11.105 6.805 1.00 0.00 N ATOM 760 CA GLN A 292 1.152 -10.514 7.899 1.00 0.00 C ATOM 761 C GLN A 292 0.612 -9.165 8.387 1.00 0.00 C ATOM 762 O GLN A 292 0.976 -8.733 9.476 1.00 0.00 O ATOM 763 CB GLN A 292 2.647 -10.427 7.554 1.00 0.00 C ATOM 764 CG GLN A 292 3.009 -10.168 6.088 1.00 0.00 C ATOM 765 CD GLN A 292 4.473 -9.762 5.871 1.00 0.00 C ATOM 766 OE1 GLN A 292 5.346 -9.935 6.716 1.00 0.00 O ATOM 767 NE2 GLN A 292 4.811 -9.206 4.726 1.00 0.00 N ATOM 0 H GLN A 292 0.835 -11.056 5.899 1.00 0.00 H new ATOM 0 HA GLN A 292 1.039 -11.202 8.737 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.088 -9.633 8.157 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.120 -11.360 7.860 1.00 0.00 H new ATOM 0 HG2 GLN A 292 2.802 -11.068 5.509 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.363 -9.382 5.698 1.00 0.00 H new ATOM 0 HE21 GLN A 292 4.105 -9.051 4.006 1.00 0.00 H new ATOM 0 HE22 GLN A 292 5.779 -8.931 4.559 1.00 0.00 H new ATOM 776 N TYR A 293 -0.281 -8.528 7.622 1.00 0.00 N ATOM 777 CA TYR A 293 -0.906 -7.241 7.965 1.00 0.00 C ATOM 778 C TYR A 293 -2.412 -7.198 7.624 1.00 0.00 C ATOM 779 O TYR A 293 -2.974 -6.138 7.352 1.00 0.00 O ATOM 780 CB TYR A 293 -0.109 -6.089 7.331 1.00 0.00 C ATOM 781 CG TYR A 293 1.332 -5.967 7.797 1.00 0.00 C ATOM 782 CD1 TYR A 293 2.365 -6.687 7.164 1.00 0.00 C ATOM 783 CD2 TYR A 293 1.639 -5.123 8.880 1.00 0.00 C ATOM 784 CE1 TYR A 293 3.696 -6.554 7.601 1.00 0.00 C ATOM 785 CE2 TYR A 293 2.967 -4.979 9.321 1.00 0.00 C ATOM 786 CZ TYR A 293 4.003 -5.696 8.681 1.00 0.00 C ATOM 787 OH TYR A 293 5.290 -5.574 9.111 1.00 0.00 O ATOM 0 H TYR A 293 -0.598 -8.899 6.726 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.866 -7.119 9.047 1.00 0.00 H new ATOM 0 HB2 TYR A 293 -0.115 -6.217 6.249 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.624 -5.152 7.544 1.00 0.00 H new ATOM 0 HD1 TYR A 293 2.134 -7.344 6.339 1.00 0.00 H new ATOM 0 HD2 TYR A 293 0.848 -4.581 9.377 1.00 0.00 H new ATOM 0 HE1 TYR A 293 4.483 -7.108 7.111 1.00 0.00 H new ATOM 0 HE2 TYR A 293 3.194 -4.322 10.147 1.00 0.00 H new ATOM 0 HH TYR A 293 5.326 -4.944 9.861 1.00 0.00 H new ATOM 797 N ASN A 294 -3.080 -8.358 7.644 1.00 0.00 N ATOM 798 CA ASN A 294 -4.495 -8.514 7.274 1.00 0.00 C ATOM 799 C ASN A 294 -5.498 -8.220 8.417 1.00 0.00 C ATOM 800 O ASN A 294 -6.656 -8.645 8.358 1.00 0.00 O ATOM 801 CB ASN A 294 -4.725 -9.891 6.628 1.00 0.00 C ATOM 802 CG ASN A 294 -4.729 -11.065 7.609 1.00 0.00 C ATOM 803 OD1 ASN A 294 -4.369 -10.952 8.776 1.00 0.00 O ATOM 804 ND2 ASN A 294 -5.149 -12.234 7.159 1.00 0.00 N ATOM 0 H ASN A 294 -2.643 -9.236 7.924 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.708 -7.739 6.538 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.678 -9.874 6.099 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.949 -10.061 5.882 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -5.174 -13.041 7.782 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -5.449 -12.329 6.189 1.00 0.00 H new ATOM 811 N ARG A 295 -5.053 -7.526 9.474 1.00 0.00 N ATOM 812 CA ARG A 295 -5.850 -7.172 10.657 1.00 0.00 C ATOM 813 C ARG A 295 -5.534 -5.770 11.167 1.00 0.00 C ATOM 814 O ARG A 295 -4.373 -5.394 11.308 1.00 0.00 O ATOM 815 CB ARG A 295 -5.564 -8.162 11.793 1.00 0.00 C ATOM 816 CG ARG A 295 -6.507 -9.367 11.785 1.00 0.00 C ATOM 817 CD ARG A 295 -6.089 -10.323 12.904 1.00 0.00 C ATOM 818 NE ARG A 295 -7.039 -11.439 13.048 1.00 0.00 N ATOM 819 CZ ARG A 295 -6.956 -12.433 13.927 1.00 0.00 C ATOM 820 NH1 ARG A 295 -5.968 -12.518 14.795 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.881 -13.367 13.943 1.00 0.00 N ATOM 0 H ARG A 295 -4.094 -7.184 9.531 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.897 -7.209 10.355 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.535 -8.512 11.712 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.651 -7.645 12.749 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.537 -9.042 11.931 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.466 -9.873 10.820 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -5.094 -10.716 12.694 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -6.024 -9.776 13.845 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.837 -11.450 12.413 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -5.236 -11.807 14.806 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -5.935 -13.294 15.456 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.658 -13.327 13.283 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.822 -14.132 14.615 1.00 0.00 H new ATOM 835 N CYS A 296 -6.581 -5.060 11.574 1.00 0.00 N ATOM 836 CA CYS A 296 -6.539 -3.733 12.181 1.00 0.00 C ATOM 837 C CYS A 296 -5.752 -3.625 13.503 1.00 0.00 C ATOM 838 O CYS A 296 -5.320 -2.537 13.888 1.00 0.00 O ATOM 839 CB CYS A 296 -8.000 -3.347 12.403 1.00 0.00 C ATOM 840 SG CYS A 296 -8.717 -2.720 10.866 1.00 0.00 S ATOM 0 H CYS A 296 -7.534 -5.414 11.485 1.00 0.00 H new ATOM 0 HA CYS A 296 -5.997 -3.064 11.512 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.564 -4.213 12.750 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.069 -2.588 13.182 1.00 0.00 H new ATOM 0 HG CYS A 296 -7.768 -2.479 10.011 1.00 0.00 H new ATOM 845 N ASP A 297 -5.536 -4.757 14.175 1.00 0.00 N ATOM 846 CA ASP A 297 -4.833 -4.854 15.455 1.00 0.00 C ATOM 847 C ASP A 297 -3.322 -5.065 15.246 1.00 0.00 C ATOM 848 O ASP A 297 -2.547 -5.117 16.202 1.00 0.00 O ATOM 849 CB ASP A 297 -5.498 -5.978 16.258 1.00 0.00 C ATOM 850 CG ASP A 297 -5.022 -6.050 17.719 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.223 -5.063 18.468 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.490 -7.111 18.127 1.00 0.00 O ATOM 0 H ASP A 297 -5.857 -5.662 13.831 1.00 0.00 H new ATOM 0 HA ASP A 297 -4.911 -3.924 16.018 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.578 -5.835 16.242 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.295 -6.932 15.770 1.00 0.00 H new ATOM 857 N ILE A 298 -2.897 -5.155 13.980 1.00 0.00 N ATOM 858 CA ILE A 298 -1.501 -5.276 13.569 1.00 0.00 C ATOM 859 C ILE A 298 -0.962 -3.877 13.238 1.00 0.00 C ATOM 860 O ILE A 298 -1.615 -3.147 12.479 1.00 0.00 O ATOM 861 CB ILE A 298 -1.339 -6.238 12.371 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.968 -7.601 12.726 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.147 -6.388 12.023 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.825 -8.681 11.646 1.00 0.00 C ATOM 0 H ILE A 298 -3.541 -5.145 13.189 1.00 0.00 H new ATOM 0 HA ILE A 298 -0.924 -5.705 14.388 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.851 -5.835 11.497 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.512 -7.966 13.646 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -3.028 -7.453 12.932 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.256 -7.067 11.178 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.559 -5.414 11.761 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.683 -6.790 12.883 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -2.298 -9.602 11.987 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -2.307 -8.344 10.728 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.768 -8.866 11.454 1.00 0.00 H new ATOM 876 N PRO A 299 0.219 -3.510 13.764 1.00 0.00 N ATOM 877 CA PRO A 299 0.834 -2.206 13.556 1.00 0.00 C ATOM 878 C PRO A 299 1.167 -1.945 12.085 1.00 0.00 C ATOM 879 O PRO A 299 1.264 -2.865 11.276 1.00 0.00 O ATOM 880 CB PRO A 299 2.087 -2.213 14.437 1.00 0.00 C ATOM 881 CG PRO A 299 2.443 -3.688 14.594 1.00 0.00 C ATOM 882 CD PRO A 299 1.077 -4.360 14.577 1.00 0.00 C ATOM 0 HA PRO A 299 0.154 -1.398 13.825 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.901 -1.657 13.972 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.894 -1.747 15.403 1.00 0.00 H new ATOM 0 HG2 PRO A 299 3.079 -4.041 13.782 1.00 0.00 H new ATOM 0 HG3 PRO A 299 2.978 -3.880 15.524 1.00 0.00 H new ATOM 0 HD2 PRO A 299 1.142 -5.364 14.157 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.680 -4.462 15.587 1.00 0.00 H new ATOM 890 N GLU A 300 1.334 -0.669 11.738 1.00 0.00 N ATOM 891 CA GLU A 300 1.711 -0.214 10.398 1.00 0.00 C ATOM 892 C GLU A 300 3.165 -0.635 10.058 1.00 0.00 C ATOM 893 O GLU A 300 4.020 -0.760 10.941 1.00 0.00 O ATOM 894 CB GLU A 300 1.449 1.305 10.344 1.00 0.00 C ATOM 895 CG GLU A 300 0.905 1.814 9.007 1.00 0.00 C ATOM 896 CD GLU A 300 2.000 2.031 7.957 1.00 0.00 C ATOM 897 OE1 GLU A 300 2.546 3.158 7.886 1.00 0.00 O ATOM 898 OE2 GLU A 300 2.285 1.079 7.201 1.00 0.00 O ATOM 0 H GLU A 300 1.208 0.098 12.398 1.00 0.00 H new ATOM 0 HA GLU A 300 1.111 -0.688 9.621 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.742 1.566 11.131 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.379 1.828 10.565 1.00 0.00 H new ATOM 0 HG2 GLU A 300 0.177 1.100 8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 300 0.375 2.753 9.170 1.00 0.00 H new ATOM 1027 N ARG B 2 -8.954 5.729 1.206 1.00 0.00 N ATOM 1028 CA ARG B 2 -7.911 6.465 0.465 1.00 0.00 C ATOM 1029 C ARG B 2 -6.946 5.491 -0.222 1.00 0.00 C ATOM 1030 O ARG B 2 -6.724 4.368 0.243 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.139 7.427 1.393 1.00 0.00 C ATOM 1032 CG ARG B 2 -7.106 8.897 0.926 1.00 0.00 C ATOM 1033 CD ARG B 2 -6.289 9.148 -0.347 1.00 0.00 C ATOM 1034 NE ARG B 2 -6.163 10.579 -0.664 1.00 0.00 N ATOM 1035 CZ ARG B 2 -5.412 11.102 -1.628 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -4.671 10.361 -2.431 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -5.407 12.408 -1.791 1.00 0.00 N ATOM 0 HA ARG B 2 -8.405 7.062 -0.301 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -7.586 7.387 2.386 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.114 7.069 1.491 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -8.129 9.233 0.757 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -6.698 9.510 1.730 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -5.295 8.717 -0.227 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.761 8.634 -1.185 1.00 0.00 H new ATOM 0 HE ARG B 2 -6.701 11.229 -0.092 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -4.661 9.347 -2.324 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -4.109 10.803 -3.158 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -5.973 13.000 -1.183 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -4.837 12.828 -2.525 1.00 0.00 H new ATOM 1051 N THR B 3 -6.325 5.979 -1.292 1.00 0.00 N ATOM 1052 CA THR B 3 -5.304 5.308 -2.106 1.00 0.00 C ATOM 1053 C THR B 3 -4.171 6.279 -2.408 1.00 0.00 C ATOM 1054 O THR B 3 -4.382 7.491 -2.506 1.00 0.00 O ATOM 1055 CB THR B 3 -5.896 4.752 -3.411 1.00 0.00 C ATOM 1056 OG1 THR B 3 -6.723 5.708 -4.042 1.00 0.00 O ATOM 1057 CG2 THR B 3 -6.703 3.480 -3.160 1.00 0.00 C ATOM 0 H THR B 3 -6.532 6.915 -1.640 1.00 0.00 H new ATOM 0 HA THR B 3 -4.916 4.463 -1.538 1.00 0.00 H new ATOM 0 HB THR B 3 -5.056 4.515 -4.064 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.086 5.331 -4.870 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.107 3.114 -4.104 1.00 0.00 H new ATOM 0 HG22 THR B 3 -6.056 2.719 -2.722 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.522 3.698 -2.475 1.00 0.00 H new