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= 0.409 USER MOD Set 1.2: A 287 GLN : amide:sc= 0.96 K(o=1.4,f=0.79) USER MOD Set 2.1: A 259 CYS SG : rot -176:sc= 1.12 USER MOD Set 2.2: A 264 CYS SG : rot 149:sc= 2.18 USER MOD Set 2.3: A 266 LYS NZ :NH3+ 131:sc= 1.37 (180deg=-0.109) USER MOD Set 2.4: A 285 CYS SG : rot 61:sc= 2.85 USER MOD Set 2.5: A 296 CYS SG : rot -11:sc= 1.2 USER MOD Single : A 258 GLN : amide:sc= 0.602 K(o=0.6,f=-0.71) USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : A 263 ASN : amide:sc= -0.1 K(o=-0.1,f=-0.73) USER MOD Single : A 277 SER OG : rot 180:sc= 0 USER MOD Single : A 282 ASN : amide:sc= 0.561 K(o=0.56,f=-0.044) USER MOD Single : A 288 ASN : amide:sc= -0.361 X(o=-0.36,f=-0.36) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0 USER MOD Single : A 292 GLN : amide:sc= 0.773 K(o=0.77,f=-3.2!) USER MOD Single : A 293 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 ASN : amide:sc= -0.119 K(o=-0.12,f=-0.95) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 194 N VAL A 255 1.401 0.552 -5.060 1.00 0.00 N ATOM 195 CA VAL A 255 0.072 1.044 -4.665 1.00 0.00 C ATOM 196 C VAL A 255 -0.132 0.800 -3.171 1.00 0.00 C ATOM 197 O VAL A 255 0.137 -0.291 -2.667 1.00 0.00 O ATOM 198 CB VAL A 255 -1.050 0.374 -5.494 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.446 0.909 -5.124 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.819 0.595 -7.000 1.00 0.00 C ATOM 0 HA VAL A 255 0.020 2.114 -4.866 1.00 0.00 H new ATOM 0 HB VAL A 255 -1.014 -0.690 -5.261 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -3.200 0.409 -5.732 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.643 0.714 -4.070 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.485 1.983 -5.308 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.619 0.116 -7.565 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.813 1.664 -7.214 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.139 0.162 -7.289 1.00 0.00 H new ATOM 210 N TRP A 256 -0.635 1.826 -2.482 1.00 0.00 N ATOM 211 CA TRP A 256 -0.967 1.798 -1.060 1.00 0.00 C ATOM 212 C TRP A 256 -2.441 2.172 -0.839 1.00 0.00 C ATOM 213 O TRP A 256 -2.976 3.063 -1.501 1.00 0.00 O ATOM 214 CB TRP A 256 -0.054 2.760 -0.294 1.00 0.00 C ATOM 215 CG TRP A 256 1.402 2.426 -0.225 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.313 2.690 -1.185 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.148 1.803 0.869 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.570 2.343 -0.740 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.531 1.776 0.515 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.798 1.251 2.122 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.519 1.247 1.359 1.00 0.00 C ATOM 222 CZ3 TRP A 256 2.774 0.661 2.948 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.130 0.668 2.579 1.00 0.00 C ATOM 0 H TRP A 256 -0.828 2.729 -2.915 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.813 0.786 -0.685 1.00 0.00 H new ATOM 0 HB2 TRP A 256 -0.151 3.747 -0.746 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.429 2.839 0.726 1.00 0.00 H new ATOM 0 HD1 TRP A 256 2.091 3.110 -2.155 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.426 2.488 -1.275 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.769 1.282 2.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.561 1.284 1.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.477 0.197 3.877 1.00 0.00 H new ATOM 0 HH2 TRP A 256 4.871 0.230 3.231 1.00 0.00 H new ATOM 234 N VAL A 257 -3.071 1.506 0.131 1.00 0.00 N ATOM 235 CA VAL A 257 -4.498 1.651 0.484 1.00 0.00 C ATOM 236 C VAL A 257 -4.660 1.965 1.966 1.00 0.00 C ATOM 237 O VAL A 257 -4.050 1.299 2.801 1.00 0.00 O ATOM 238 CB VAL A 257 -5.311 0.373 0.172 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.807 0.379 -1.270 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.531 -0.928 0.429 1.00 0.00 C ATOM 0 H VAL A 257 -2.590 0.824 0.718 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.879 2.472 -0.124 1.00 0.00 H new ATOM 0 HB VAL A 257 -6.156 0.391 0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.376 -0.531 -1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.446 1.247 -1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.955 0.425 -1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -5.162 -1.784 0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.639 -0.948 -0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -4.238 -0.976 1.478 1.00 0.00 H new ATOM 250 N GLN A 258 -5.481 2.970 2.284 1.00 0.00 N ATOM 251 CA GLN A 258 -5.780 3.362 3.660 1.00 0.00 C ATOM 252 C GLN A 258 -7.033 2.648 4.183 1.00 0.00 C ATOM 253 O GLN A 258 -8.078 2.643 3.526 1.00 0.00 O ATOM 254 CB GLN A 258 -5.930 4.886 3.769 1.00 0.00 C ATOM 255 CG GLN A 258 -5.966 5.334 5.241 1.00 0.00 C ATOM 256 CD GLN A 258 -5.958 6.852 5.416 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.701 7.586 4.779 1.00 0.00 O ATOM 258 NE2 GLN A 258 -5.138 7.382 6.300 1.00 0.00 N ATOM 0 H GLN A 258 -5.960 3.538 1.585 1.00 0.00 H new ATOM 0 HA GLN A 258 -4.941 3.056 4.285 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -5.101 5.374 3.257 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.845 5.202 3.267 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.859 4.926 5.715 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.107 4.911 5.762 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.513 6.783 6.839 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -5.128 8.391 6.446 1.00 0.00 H new ATOM 267 N CYS A 259 -6.923 2.096 5.395 1.00 0.00 N ATOM 268 CA CYS A 259 -8.003 1.465 6.145 1.00 0.00 C ATOM 269 C CYS A 259 -9.231 2.388 6.315 1.00 0.00 C ATOM 270 O CYS A 259 -9.105 3.581 6.615 1.00 0.00 O ATOM 271 CB CYS A 259 -7.417 1.059 7.504 1.00 0.00 C ATOM 272 SG CYS A 259 -8.533 -0.103 8.331 1.00 0.00 S ATOM 0 H CYS A 259 -6.037 2.078 5.899 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.375 0.598 5.599 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.438 0.601 7.366 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.271 1.942 8.126 1.00 0.00 H new ATOM 0 HG CYS A 259 -8.075 -0.375 9.517 1.00 0.00 H new ATOM 277 N SER A 260 -10.432 1.838 6.133 1.00 0.00 N ATOM 278 CA SER A 260 -11.707 2.559 6.255 1.00 0.00 C ATOM 279 C SER A 260 -12.023 3.040 7.683 1.00 0.00 C ATOM 280 O SER A 260 -12.785 3.998 7.846 1.00 0.00 O ATOM 281 CB SER A 260 -12.869 1.699 5.729 1.00 0.00 C ATOM 282 OG SER A 260 -12.961 0.441 6.387 1.00 0.00 O ATOM 0 H SER A 260 -10.552 0.855 5.891 1.00 0.00 H new ATOM 0 HA SER A 260 -11.594 3.455 5.644 1.00 0.00 H new ATOM 0 HB2 SER A 260 -13.805 2.242 5.859 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.740 1.536 4.659 1.00 0.00 H new ATOM 0 HG SER A 260 -13.714 -0.066 6.019 1.00 0.00 H new ATOM 288 N PHE A 261 -11.442 2.417 8.718 1.00 0.00 N ATOM 289 CA PHE A 261 -11.651 2.822 10.106 1.00 0.00 C ATOM 290 C PHE A 261 -10.812 4.055 10.485 1.00 0.00 C ATOM 291 O PHE A 261 -9.608 4.087 10.210 1.00 0.00 O ATOM 292 CB PHE A 261 -11.360 1.658 11.053 1.00 0.00 C ATOM 293 CG PHE A 261 -12.314 0.489 10.922 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.633 0.602 11.402 1.00 0.00 C ATOM 295 CD2 PHE A 261 -11.880 -0.714 10.335 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.515 -0.489 11.291 1.00 0.00 C ATOM 297 CE2 PHE A 261 -12.757 -1.805 10.235 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.077 -1.693 10.707 1.00 0.00 C ATOM 0 H PHE A 261 -10.815 1.619 8.612 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.699 3.105 10.206 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.345 1.304 10.873 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.392 2.024 12.079 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -13.967 1.524 11.854 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -10.870 -0.798 9.961 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.528 -0.403 11.654 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.418 -2.731 9.795 1.00 0.00 H new ATOM 0 HZ PHE A 261 -14.754 -2.530 10.622 1.00 0.00 H new ATOM 308 N PRO A 262 -11.417 5.039 11.180 1.00 0.00 N ATOM 309 CA PRO A 262 -10.749 6.262 11.615 1.00 0.00 C ATOM 310 C PRO A 262 -9.747 6.005 12.747 1.00 0.00 C ATOM 311 O PRO A 262 -8.714 6.668 12.822 1.00 0.00 O ATOM 312 CB PRO A 262 -11.887 7.174 12.073 1.00 0.00 C ATOM 313 CG PRO A 262 -12.973 6.216 12.562 1.00 0.00 C ATOM 314 CD PRO A 262 -12.805 5.027 11.624 1.00 0.00 C ATOM 0 HA PRO A 262 -10.156 6.704 10.815 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.562 7.845 12.868 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.248 7.799 11.256 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -12.827 5.935 13.605 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -13.967 6.656 12.486 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.040 4.094 12.136 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.484 5.105 10.775 1.00 0.00 H new ATOM 322 N ASN A 263 -10.021 5.007 13.595 1.00 0.00 N ATOM 323 CA ASN A 263 -9.118 4.532 14.653 1.00 0.00 C ATOM 324 C ASN A 263 -7.924 3.698 14.123 1.00 0.00 C ATOM 325 O ASN A 263 -7.003 3.394 14.886 1.00 0.00 O ATOM 326 CB ASN A 263 -9.940 3.768 15.704 1.00 0.00 C ATOM 327 CG ASN A 263 -10.641 2.534 15.136 1.00 0.00 C ATOM 328 OD1 ASN A 263 -10.014 1.558 14.749 1.00 0.00 O ATOM 329 ND2 ASN A 263 -11.960 2.550 15.053 1.00 0.00 N ATOM 0 H ASN A 263 -10.901 4.492 13.564 1.00 0.00 H new ATOM 0 HA ASN A 263 -8.655 5.403 15.116 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.283 3.463 16.519 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -10.686 4.438 16.130 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -12.456 1.747 14.666 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -12.481 3.365 15.376 1.00 0.00 H new ATOM 336 N CYS A 264 -7.924 3.370 12.825 1.00 0.00 N ATOM 337 CA CYS A 264 -6.822 2.737 12.106 1.00 0.00 C ATOM 338 C CYS A 264 -6.078 3.810 11.298 1.00 0.00 C ATOM 339 O CYS A 264 -5.024 4.292 11.720 1.00 0.00 O ATOM 340 CB CYS A 264 -7.386 1.609 11.220 1.00 0.00 C ATOM 341 SG CYS A 264 -6.339 0.131 11.234 1.00 0.00 S ATOM 0 H CYS A 264 -8.729 3.548 12.225 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.105 2.286 12.792 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.386 1.346 11.564 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.486 1.970 10.197 1.00 0.00 H new ATOM 0 HG CYS A 264 -7.080 -0.927 11.086 1.00 0.00 H new ATOM 346 N GLY A 265 -6.634 4.172 10.133 1.00 0.00 N ATOM 347 CA GLY A 265 -6.025 5.080 9.169 1.00 0.00 C ATOM 348 C GLY A 265 -4.711 4.551 8.589 1.00 0.00 C ATOM 349 O GLY A 265 -3.948 5.318 8.001 1.00 0.00 O ATOM 0 H GLY A 265 -7.546 3.827 9.833 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.727 5.260 8.355 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -5.842 6.041 9.650 1.00 0.00 H new ATOM 353 N LYS A 266 -4.432 3.255 8.765 1.00 0.00 N ATOM 354 CA LYS A 266 -3.173 2.623 8.375 1.00 0.00 C ATOM 355 C LYS A 266 -3.094 2.415 6.861 1.00 0.00 C ATOM 356 O LYS A 266 -4.099 2.092 6.224 1.00 0.00 O ATOM 357 CB LYS A 266 -3.012 1.280 9.100 1.00 0.00 C ATOM 358 CG LYS A 266 -2.935 1.431 10.618 1.00 0.00 C ATOM 359 CD LYS A 266 -2.707 0.043 11.216 1.00 0.00 C ATOM 360 CE LYS A 266 -2.617 0.096 12.734 1.00 0.00 C ATOM 361 NZ LYS A 266 -3.922 0.463 13.346 1.00 0.00 N ATOM 0 H LYS A 266 -5.091 2.605 9.192 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.361 3.290 8.663 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -3.851 0.633 8.846 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.109 0.786 8.743 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.123 2.104 10.894 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.856 1.867 11.005 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.522 -0.619 10.922 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -1.789 -0.382 10.811 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.296 -0.874 13.114 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -1.859 0.821 13.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -4.147 -0.206 14.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -3.865 1.426 13.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.668 0.425 12.622 1.00 0.00 H new ATOM 375 N TRP A 267 -1.897 2.551 6.293 1.00 0.00 N ATOM 376 CA TRP A 267 -1.632 2.301 4.880 1.00 0.00 C ATOM 377 C TRP A 267 -0.976 0.927 4.710 1.00 0.00 C ATOM 378 O TRP A 267 0.028 0.638 5.359 1.00 0.00 O ATOM 379 CB TRP A 267 -0.763 3.435 4.324 1.00 0.00 C ATOM 380 CG TRP A 267 -1.436 4.772 4.269 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.461 5.688 5.262 1.00 0.00 C ATOM 382 CD2 TRP A 267 -2.182 5.370 3.164 1.00 0.00 C ATOM 383 NE1 TRP A 267 -2.149 6.811 4.845 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.605 6.676 3.551 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.538 4.937 1.870 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.321 7.519 2.687 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.256 5.773 0.996 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.631 7.068 1.393 1.00 0.00 C ATOM 0 H TRP A 267 -1.070 2.844 6.813 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.563 2.285 4.314 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.134 3.520 4.937 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.438 3.166 3.319 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -1.011 5.561 6.235 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.301 7.638 5.423 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.255 3.947 1.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.630 8.501 3.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.521 5.417 0.012 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -4.156 7.715 0.705 1.00 0.00 H new ATOM 399 N ARG A 268 -1.540 0.081 3.844 1.00 0.00 N ATOM 400 CA ARG A 268 -0.998 -1.245 3.515 1.00 0.00 C ATOM 401 C ARG A 268 -0.612 -1.306 2.032 1.00 0.00 C ATOM 402 O ARG A 268 -1.260 -0.665 1.195 1.00 0.00 O ATOM 403 CB ARG A 268 -2.009 -2.354 3.853 1.00 0.00 C ATOM 404 CG ARG A 268 -2.675 -2.293 5.241 1.00 0.00 C ATOM 405 CD ARG A 268 -1.727 -2.261 6.441 1.00 0.00 C ATOM 406 NE ARG A 268 -2.493 -2.446 7.683 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.006 -2.567 8.906 1.00 0.00 C ATOM 408 NH1 ARG A 268 -0.747 -2.333 9.204 1.00 0.00 N ATOM 409 NH2 ARG A 268 -2.812 -2.921 9.870 1.00 0.00 N ATOM 0 H ARG A 268 -2.401 0.300 3.342 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.105 -1.408 4.119 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -2.796 -2.337 3.099 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.501 -3.314 3.763 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.307 -1.406 5.280 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.331 -3.157 5.345 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -0.977 -3.046 6.345 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.193 -1.311 6.470 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.508 -2.485 7.591 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.096 -2.043 8.475 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.422 -2.441 10.165 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -3.797 -3.098 9.672 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.457 -3.020 10.821 1.00 0.00 H new ATOM 423 N ARG A 269 0.444 -2.067 1.729 1.00 0.00 N ATOM 424 CA ARG A 269 0.944 -2.328 0.370 1.00 0.00 C ATOM 425 C ARG A 269 0.042 -3.304 -0.387 1.00 0.00 C ATOM 426 O ARG A 269 -0.562 -4.189 0.215 1.00 0.00 O ATOM 427 CB ARG A 269 2.343 -2.957 0.426 1.00 0.00 C ATOM 428 CG ARG A 269 3.416 -2.024 0.961 1.00 0.00 C ATOM 429 CD ARG A 269 4.828 -2.627 0.867 1.00 0.00 C ATOM 430 NE ARG A 269 5.118 -3.524 1.996 1.00 0.00 N ATOM 431 CZ ARG A 269 4.858 -4.815 2.161 1.00 0.00 C ATOM 432 NH1 ARG A 269 4.353 -5.589 1.224 1.00 0.00 N ATOM 433 NH2 ARG A 269 5.124 -5.320 3.339 1.00 0.00 N ATOM 0 H ARG A 269 0.996 -2.536 2.447 1.00 0.00 H new ATOM 0 HA ARG A 269 0.964 -1.367 -0.144 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.305 -3.848 1.052 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.625 -3.283 -0.575 1.00 0.00 H new ATOM 0 HG2 ARG A 269 3.388 -1.087 0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 269 3.197 -1.783 2.001 1.00 0.00 H new ATOM 0 HD2 ARG A 269 4.926 -3.178 -0.069 1.00 0.00 H new ATOM 0 HD3 ARG A 269 5.565 -1.824 0.843 1.00 0.00 H new ATOM 0 HE ARG A 269 5.597 -3.082 2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 269 4.138 -5.203 0.305 1.00 0.00 H new ATOM 0 HH12 ARG A 269 4.177 -6.575 1.417 1.00 0.00 H new ATOM 0 HH21 ARG A 269 5.511 -4.726 4.073 1.00 0.00 H new ATOM 0 HH22 ARG A 269 4.944 -6.307 3.523 1.00 0.00 H new ATOM 447 N LEU A 270 0.047 -3.191 -1.716 1.00 0.00 N ATOM 448 CA LEU A 270 -0.636 -4.094 -2.653 1.00 0.00 C ATOM 449 C LEU A 270 0.302 -4.598 -3.758 1.00 0.00 C ATOM 450 O LEU A 270 1.367 -4.028 -4.007 1.00 0.00 O ATOM 451 CB LEU A 270 -1.843 -3.371 -3.278 1.00 0.00 C ATOM 452 CG LEU A 270 -2.951 -2.950 -2.300 1.00 0.00 C ATOM 453 CD1 LEU A 270 -4.068 -2.309 -3.125 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.557 -4.107 -1.488 1.00 0.00 C ATOM 0 H LEU A 270 0.546 -2.439 -2.191 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.972 -4.965 -2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.482 -2.481 -3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -2.281 -4.022 -4.035 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.500 -2.271 -1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.876 -1.996 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.676 -1.441 -3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.449 -3.033 -3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.330 -3.720 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.995 -4.838 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.776 -4.584 -0.896 1.00 0.00 H new ATOM 529 N PRO A 276 -5.765 1.082 -8.057 1.00 0.00 N ATOM 530 CA PRO A 276 -6.636 1.720 -7.077 1.00 0.00 C ATOM 531 C PRO A 276 -8.013 2.128 -7.625 1.00 0.00 C ATOM 532 O PRO A 276 -8.935 2.320 -6.835 1.00 0.00 O ATOM 533 CB PRO A 276 -5.841 2.901 -6.518 1.00 0.00 C ATOM 534 CG PRO A 276 -4.837 3.227 -7.616 1.00 0.00 C ATOM 535 CD PRO A 276 -4.559 1.871 -8.255 1.00 0.00 C ATOM 0 HA PRO A 276 -6.898 1.010 -6.292 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.488 3.752 -6.304 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.341 2.639 -5.586 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.246 3.935 -8.337 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -3.929 3.674 -7.211 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.332 1.978 -9.316 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.697 1.390 -7.792 1.00 0.00 H new ATOM 543 N SER A 277 -8.209 2.186 -8.947 1.00 0.00 N ATOM 544 CA SER A 277 -9.517 2.433 -9.563 1.00 0.00 C ATOM 545 C SER A 277 -10.433 1.189 -9.604 1.00 0.00 C ATOM 546 O SER A 277 -11.597 1.319 -9.987 1.00 0.00 O ATOM 547 CB SER A 277 -9.331 3.009 -10.976 1.00 0.00 C ATOM 548 OG SER A 277 -8.663 4.267 -10.946 1.00 0.00 O ATOM 0 H SER A 277 -7.457 2.062 -9.625 1.00 0.00 H new ATOM 0 HA SER A 277 -10.025 3.157 -8.927 1.00 0.00 H new ATOM 0 HB2 SER A 277 -8.759 2.307 -11.583 1.00 0.00 H new ATOM 0 HB3 SER A 277 -10.304 3.124 -11.453 1.00 0.00 H new ATOM 0 HG SER A 277 -8.559 4.604 -11.860 1.00 0.00 H new ATOM 554 N VAL A 278 -9.954 0.003 -9.185 1.00 0.00 N ATOM 555 CA VAL A 278 -10.767 -1.236 -9.070 1.00 0.00 C ATOM 556 C VAL A 278 -10.878 -1.758 -7.621 1.00 0.00 C ATOM 557 O VAL A 278 -11.104 -2.949 -7.400 1.00 0.00 O ATOM 558 CB VAL A 278 -10.342 -2.342 -10.074 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.441 -1.845 -11.527 1.00 0.00 C ATOM 560 CG2 VAL A 278 -8.936 -2.917 -9.832 1.00 0.00 C ATOM 0 H VAL A 278 -8.980 -0.130 -8.912 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.777 -0.944 -9.359 1.00 0.00 H new ATOM 0 HB VAL A 278 -11.049 -3.154 -9.902 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -10.137 -2.642 -12.206 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.470 -1.557 -11.744 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -9.787 -0.984 -11.662 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.722 -3.682 -10.578 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -8.198 -2.119 -9.909 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -8.890 -3.358 -8.836 1.00 0.00 H new ATOM 570 N LEU A 279 -10.734 -0.869 -6.625 1.00 0.00 N ATOM 571 CA LEU A 279 -10.812 -1.194 -5.189 1.00 0.00 C ATOM 572 C LEU A 279 -12.041 -0.559 -4.497 1.00 0.00 C ATOM 573 O LEU A 279 -12.535 0.477 -4.959 1.00 0.00 O ATOM 574 CB LEU A 279 -9.496 -0.781 -4.503 1.00 0.00 C ATOM 575 CG LEU A 279 -8.284 -1.624 -4.944 1.00 0.00 C ATOM 576 CD1 LEU A 279 -7.007 -1.036 -4.342 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.416 -3.081 -4.464 1.00 0.00 C ATOM 0 H LEU A 279 -10.556 0.120 -6.799 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.947 -2.271 -5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.297 0.269 -4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.615 -0.867 -3.423 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.243 -1.608 -6.033 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -6.150 -1.632 -4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.881 -0.010 -4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -7.079 -1.046 -3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.546 -3.652 -4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.476 -3.102 -3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.319 -3.523 -4.886 1.00 0.00 H new ATOM 589 N PRO A 280 -12.540 -1.179 -3.405 1.00 0.00 N ATOM 590 CA PRO A 280 -13.755 -0.770 -2.707 1.00 0.00 C ATOM 591 C PRO A 280 -13.541 0.490 -1.863 1.00 0.00 C ATOM 592 O PRO A 280 -12.451 0.747 -1.358 1.00 0.00 O ATOM 593 CB PRO A 280 -14.153 -1.971 -1.839 1.00 0.00 C ATOM 594 CG PRO A 280 -12.839 -2.702 -1.580 1.00 0.00 C ATOM 595 CD PRO A 280 -12.014 -2.406 -2.821 1.00 0.00 C ATOM 0 HA PRO A 280 -14.542 -0.505 -3.412 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.620 -1.651 -0.908 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.870 -2.612 -2.352 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.349 -2.338 -0.677 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -12.995 -3.773 -1.448 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.961 -2.289 -2.564 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -12.079 -3.230 -3.532 1.00 0.00 H new ATOM 603 N ASP A 281 -14.616 1.258 -1.669 1.00 0.00 N ATOM 604 CA ASP A 281 -14.646 2.463 -0.824 1.00 0.00 C ATOM 605 C ASP A 281 -14.608 2.159 0.684 1.00 0.00 C ATOM 606 O ASP A 281 -14.292 3.024 1.500 1.00 0.00 O ATOM 607 CB ASP A 281 -15.904 3.272 -1.167 1.00 0.00 C ATOM 608 CG ASP A 281 -17.202 2.705 -0.555 1.00 0.00 C ATOM 609 OD1 ASP A 281 -17.501 1.503 -0.759 1.00 0.00 O ATOM 610 OD2 ASP A 281 -17.924 3.472 0.125 1.00 0.00 O ATOM 0 H ASP A 281 -15.516 1.057 -2.105 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.742 3.034 -1.037 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -15.769 4.297 -0.822 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.013 3.312 -2.251 1.00 0.00 H new ATOM 615 N ASN A 282 -14.904 0.909 1.030 1.00 0.00 N ATOM 616 CA ASN A 282 -14.932 0.345 2.376 1.00 0.00 C ATOM 617 C ASN A 282 -13.764 -0.640 2.597 1.00 0.00 C ATOM 618 O ASN A 282 -13.827 -1.505 3.472 1.00 0.00 O ATOM 619 CB ASN A 282 -16.325 -0.268 2.612 1.00 0.00 C ATOM 620 CG ASN A 282 -16.651 -1.418 1.661 1.00 0.00 C ATOM 621 OD1 ASN A 282 -16.425 -2.584 1.962 1.00 0.00 O ATOM 622 ND2 ASN A 282 -17.193 -1.134 0.490 1.00 0.00 N ATOM 0 H ASN A 282 -15.148 0.213 0.325 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.778 1.122 3.125 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.386 -0.627 3.639 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -17.080 0.510 2.501 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -17.422 -1.885 -0.161 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -17.382 -0.164 0.237 1.00 0.00 H new ATOM 629 N TRP A 283 -12.697 -0.515 1.793 1.00 0.00 N ATOM 630 CA TRP A 283 -11.441 -1.253 1.984 1.00 0.00 C ATOM 631 C TRP A 283 -10.878 -1.076 3.410 1.00 0.00 C ATOM 632 O TRP A 283 -10.819 0.035 3.930 1.00 0.00 O ATOM 633 CB TRP A 283 -10.402 -0.815 0.941 1.00 0.00 C ATOM 634 CG TRP A 283 -9.211 -1.713 0.903 1.00 0.00 C ATOM 635 CD1 TRP A 283 -9.034 -2.752 0.056 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.070 -1.730 1.813 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.887 -3.438 0.406 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.272 -2.870 1.504 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.658 -0.926 2.900 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.137 -3.201 2.252 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.527 -1.257 3.665 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.776 -2.399 3.344 1.00 0.00 C ATOM 0 H TRP A 283 -12.683 0.107 0.985 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.660 -2.312 1.849 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.868 -0.795 -0.044 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.078 0.202 1.162 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.687 -3.006 -0.766 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.538 -4.261 -0.085 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.224 -0.040 3.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.545 -4.066 1.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.236 -0.634 4.498 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -4.915 -2.661 3.942 1.00 0.00 H new ATOM 653 N SER A 284 -10.414 -2.160 4.025 1.00 0.00 N ATOM 654 CA SER A 284 -9.855 -2.195 5.385 1.00 0.00 C ATOM 655 C SER A 284 -8.672 -3.171 5.463 1.00 0.00 C ATOM 656 O SER A 284 -8.465 -3.957 4.536 1.00 0.00 O ATOM 657 CB SER A 284 -10.946 -2.606 6.388 1.00 0.00 C ATOM 658 OG SER A 284 -11.440 -3.919 6.127 1.00 0.00 O ATOM 0 H SER A 284 -10.414 -3.077 3.578 1.00 0.00 H new ATOM 0 HA SER A 284 -9.493 -1.198 5.636 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.543 -2.564 7.400 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.769 -1.893 6.342 1.00 0.00 H new ATOM 0 HG SER A 284 -12.130 -4.146 6.785 1.00 0.00 H new ATOM 664 N CYS A 285 -7.919 -3.169 6.572 1.00 0.00 N ATOM 665 CA CYS A 285 -6.797 -4.097 6.780 1.00 0.00 C ATOM 666 C CYS A 285 -7.191 -5.580 6.543 1.00 0.00 C ATOM 667 O CYS A 285 -6.373 -6.375 6.081 1.00 0.00 O ATOM 668 CB CYS A 285 -6.233 -3.959 8.204 1.00 0.00 C ATOM 669 SG CYS A 285 -5.644 -2.291 8.609 1.00 0.00 S ATOM 0 H CYS A 285 -8.070 -2.526 7.349 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.040 -3.824 6.044 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.006 -4.243 8.918 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.410 -4.663 8.327 1.00 0.00 H new ATOM 0 HG CYS A 285 -6.632 -1.450 8.527 1.00 0.00 H new ATOM 674 N ASP A 286 -8.448 -5.954 6.816 1.00 0.00 N ATOM 675 CA ASP A 286 -9.005 -7.298 6.584 1.00 0.00 C ATOM 676 C ASP A 286 -9.100 -7.684 5.088 1.00 0.00 C ATOM 677 O ASP A 286 -9.249 -8.860 4.754 1.00 0.00 O ATOM 678 CB ASP A 286 -10.383 -7.368 7.264 1.00 0.00 C ATOM 679 CG ASP A 286 -10.996 -8.779 7.248 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.463 -9.674 7.946 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.035 -8.977 6.574 1.00 0.00 O ATOM 0 H ASP A 286 -9.129 -5.310 7.218 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.321 -8.027 7.017 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.289 -7.031 8.296 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.063 -6.678 6.764 1.00 0.00 H new ATOM 686 N GLN A 287 -8.979 -6.706 4.185 1.00 0.00 N ATOM 687 CA GLN A 287 -9.032 -6.850 2.727 1.00 0.00 C ATOM 688 C GLN A 287 -7.628 -6.780 2.084 1.00 0.00 C ATOM 689 O GLN A 287 -7.503 -6.637 0.865 1.00 0.00 O ATOM 690 CB GLN A 287 -10.004 -5.782 2.181 1.00 0.00 C ATOM 691 CG GLN A 287 -11.460 -6.092 2.572 1.00 0.00 C ATOM 692 CD GLN A 287 -12.389 -4.896 2.391 1.00 0.00 C ATOM 693 OE1 GLN A 287 -12.848 -4.586 1.300 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.692 -4.168 3.446 1.00 0.00 N ATOM 0 H GLN A 287 -8.833 -5.737 4.468 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.405 -7.839 2.461 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.723 -4.802 2.567 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -9.920 -5.733 1.095 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -11.824 -6.923 1.968 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.491 -6.416 3.612 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.316 -4.415 4.361 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.303 -3.357 3.348 1.00 0.00 H new ATOM 703 N ASN A 288 -6.560 -6.887 2.885 1.00 0.00 N ATOM 704 CA ASN A 288 -5.172 -6.835 2.417 1.00 0.00 C ATOM 705 C ASN A 288 -4.703 -8.114 1.697 1.00 0.00 C ATOM 706 O ASN A 288 -5.185 -9.219 1.966 1.00 0.00 O ATOM 707 CB ASN A 288 -4.245 -6.500 3.598 1.00 0.00 C ATOM 708 CG ASN A 288 -2.902 -5.957 3.130 1.00 0.00 C ATOM 709 OD1 ASN A 288 -2.838 -5.114 2.248 1.00 0.00 O ATOM 710 ND2 ASN A 288 -1.795 -6.453 3.647 1.00 0.00 N ATOM 0 H ASN A 288 -6.639 -7.014 3.894 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.123 -6.048 1.664 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.729 -5.766 4.242 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.085 -7.395 4.199 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -0.887 -6.133 3.311 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -1.847 -7.157 4.383 1.00 0.00 H new ATOM 717 N THR A 289 -3.710 -7.950 0.810 1.00 0.00 N ATOM 718 CA THR A 289 -3.080 -9.035 0.030 1.00 0.00 C ATOM 719 C THR A 289 -1.863 -9.655 0.713 1.00 0.00 C ATOM 720 O THR A 289 -1.432 -10.735 0.312 1.00 0.00 O ATOM 721 CB THR A 289 -2.714 -8.567 -1.383 1.00 0.00 C ATOM 722 OG1 THR A 289 -1.834 -7.464 -1.337 1.00 0.00 O ATOM 723 CG2 THR A 289 -3.957 -8.165 -2.174 1.00 0.00 C ATOM 0 H THR A 289 -3.309 -7.034 0.607 1.00 0.00 H new ATOM 0 HA THR A 289 -3.834 -9.819 -0.036 1.00 0.00 H new ATOM 0 HB THR A 289 -2.226 -9.406 -1.879 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.613 -7.184 -2.250 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.663 -7.838 -3.172 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.629 -9.020 -2.255 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.467 -7.350 -1.661 1.00 0.00 H new ATOM 731 N ASP A 290 -1.342 -9.018 1.763 1.00 0.00 N ATOM 732 CA ASP A 290 -0.184 -9.480 2.539 1.00 0.00 C ATOM 733 C ASP A 290 -0.605 -9.895 3.959 1.00 0.00 C ATOM 734 O ASP A 290 -1.064 -9.070 4.751 1.00 0.00 O ATOM 735 CB ASP A 290 0.904 -8.381 2.572 1.00 0.00 C ATOM 736 CG ASP A 290 2.310 -8.896 2.218 1.00 0.00 C ATOM 737 OD1 ASP A 290 2.605 -10.087 2.471 1.00 0.00 O ATOM 738 OD2 ASP A 290 3.122 -8.089 1.705 1.00 0.00 O ATOM 0 H ASP A 290 -1.725 -8.138 2.110 1.00 0.00 H new ATOM 0 HA ASP A 290 0.235 -10.361 2.053 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.630 -7.589 1.875 1.00 0.00 H new ATOM 0 HB3 ASP A 290 0.929 -7.936 3.567 1.00 0.00 H new ATOM 743 N VAL A 291 -0.425 -11.177 4.292 1.00 0.00 N ATOM 744 CA VAL A 291 -0.871 -11.786 5.570 1.00 0.00 C ATOM 745 C VAL A 291 -0.128 -11.246 6.800 1.00 0.00 C ATOM 746 O VAL A 291 -0.596 -11.375 7.928 1.00 0.00 O ATOM 747 CB VAL A 291 -0.764 -13.329 5.563 1.00 0.00 C ATOM 748 CG1 VAL A 291 -1.634 -13.929 4.449 1.00 0.00 C ATOM 749 CG2 VAL A 291 0.690 -13.819 5.415 1.00 0.00 C ATOM 0 H VAL A 291 0.043 -11.842 3.676 1.00 0.00 H new ATOM 0 HA VAL A 291 -1.919 -11.497 5.649 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.129 -13.672 6.531 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -1.544 -15.015 4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -2.675 -13.649 4.610 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.301 -13.549 3.483 1.00 0.00 H new ATOM 0 HG21 VAL A 291 0.709 -14.909 5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 291 1.105 -13.450 4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.286 -13.445 6.247 1.00 0.00 H new ATOM 759 N GLN A 292 1.025 -10.617 6.567 1.00 0.00 N ATOM 760 CA GLN A 292 1.850 -9.954 7.576 1.00 0.00 C ATOM 761 C GLN A 292 1.233 -8.651 8.104 1.00 0.00 C ATOM 762 O GLN A 292 1.630 -8.194 9.173 1.00 0.00 O ATOM 763 CB GLN A 292 3.277 -9.743 7.034 1.00 0.00 C ATOM 764 CG GLN A 292 3.370 -9.445 5.528 1.00 0.00 C ATOM 765 CD GLN A 292 4.749 -8.956 5.085 1.00 0.00 C ATOM 766 OE1 GLN A 292 4.921 -7.836 4.622 1.00 0.00 O ATOM 767 NE2 GLN A 292 5.787 -9.761 5.201 1.00 0.00 N ATOM 0 H GLN A 292 1.425 -10.553 5.631 1.00 0.00 H new ATOM 0 HA GLN A 292 1.900 -10.614 8.442 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.737 -8.919 7.580 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.865 -10.635 7.248 1.00 0.00 H new ATOM 0 HG2 GLN A 292 3.118 -10.347 4.971 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.626 -8.692 5.269 1.00 0.00 H new ATOM 0 HE21 GLN A 292 5.665 -10.698 5.584 1.00 0.00 H new ATOM 0 HE22 GLN A 292 6.712 -9.446 4.907 1.00 0.00 H new ATOM 776 N TYR A 293 0.242 -8.084 7.403 1.00 0.00 N ATOM 777 CA TYR A 293 -0.457 -6.844 7.788 1.00 0.00 C ATOM 778 C TYR A 293 -1.970 -6.884 7.475 1.00 0.00 C ATOM 779 O TYR A 293 -2.602 -5.850 7.256 1.00 0.00 O ATOM 780 CB TYR A 293 0.250 -5.622 7.169 1.00 0.00 C ATOM 781 CG TYR A 293 1.693 -5.414 7.596 1.00 0.00 C ATOM 782 CD1 TYR A 293 2.748 -6.046 6.909 1.00 0.00 C ATOM 783 CD2 TYR A 293 1.982 -4.592 8.701 1.00 0.00 C ATOM 784 CE1 TYR A 293 4.075 -5.897 7.354 1.00 0.00 C ATOM 785 CE2 TYR A 293 3.307 -4.412 9.133 1.00 0.00 C ATOM 786 CZ TYR A 293 4.359 -5.090 8.478 1.00 0.00 C ATOM 787 OH TYR A 293 5.638 -4.979 8.935 1.00 0.00 O ATOM 0 H TYR A 293 -0.107 -8.482 6.531 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.399 -6.751 8.872 1.00 0.00 H new ATOM 0 HB2 TYR A 293 0.221 -5.719 6.084 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.318 -4.728 7.424 1.00 0.00 H new ATOM 0 HD1 TYR A 293 2.538 -6.648 6.037 1.00 0.00 H new ATOM 0 HD2 TYR A 293 1.177 -4.095 9.222 1.00 0.00 H new ATOM 0 HE1 TYR A 293 4.877 -6.400 6.835 1.00 0.00 H new ATOM 0 HE2 TYR A 293 3.521 -3.756 9.964 1.00 0.00 H new ATOM 0 HH TYR A 293 5.657 -4.385 9.714 1.00 0.00 H new ATOM 797 N ASN A 294 -2.573 -8.080 7.459 1.00 0.00 N ATOM 798 CA ASN A 294 -3.980 -8.307 7.092 1.00 0.00 C ATOM 799 C ASN A 294 -4.997 -8.112 8.243 1.00 0.00 C ATOM 800 O ASN A 294 -6.116 -8.630 8.184 1.00 0.00 O ATOM 801 CB ASN A 294 -4.130 -9.672 6.395 1.00 0.00 C ATOM 802 CG ASN A 294 -4.054 -10.876 7.339 1.00 0.00 C ATOM 803 OD1 ASN A 294 -3.656 -10.784 8.494 1.00 0.00 O ATOM 804 ND2 ASN A 294 -4.450 -12.046 6.868 1.00 0.00 N ATOM 0 H ASN A 294 -2.084 -8.940 7.707 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.243 -7.517 6.388 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.086 -9.696 5.871 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.350 -9.768 5.640 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -4.424 -12.872 7.466 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -4.781 -12.123 5.906 1.00 0.00 H new ATOM 811 N ARG A 295 -4.605 -7.394 9.303 1.00 0.00 N ATOM 812 CA ARG A 295 -5.418 -7.124 10.495 1.00 0.00 C ATOM 813 C ARG A 295 -5.194 -5.713 11.032 1.00 0.00 C ATOM 814 O ARG A 295 -4.061 -5.254 11.163 1.00 0.00 O ATOM 815 CB ARG A 295 -5.062 -8.123 11.602 1.00 0.00 C ATOM 816 CG ARG A 295 -5.925 -9.386 11.563 1.00 0.00 C ATOM 817 CD ARG A 295 -5.429 -10.358 12.636 1.00 0.00 C ATOM 818 NE ARG A 295 -6.312 -11.531 12.759 1.00 0.00 N ATOM 819 CZ ARG A 295 -6.143 -12.558 13.586 1.00 0.00 C ATOM 820 NH1 ARG A 295 -5.122 -12.627 14.416 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.015 -13.543 13.589 1.00 0.00 N ATOM 0 H ARG A 295 -3.679 -6.970 9.356 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.463 -7.224 10.202 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.013 -8.403 11.508 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.178 -7.640 12.572 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -6.971 -9.134 11.737 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -5.869 -9.851 10.579 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -4.419 -10.687 12.390 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -5.372 -9.843 13.595 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.131 -11.558 12.152 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -4.431 -11.877 14.437 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -5.023 -13.430 15.037 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -7.816 -13.517 12.959 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -6.890 -14.333 14.222 1.00 0.00 H new ATOM 835 N CYS A 296 -6.284 -5.089 11.468 1.00 0.00 N ATOM 836 CA CYS A 296 -6.325 -3.782 12.117 1.00 0.00 C ATOM 837 C CYS A 296 -5.568 -3.685 13.459 1.00 0.00 C ATOM 838 O CYS A 296 -5.255 -2.588 13.925 1.00 0.00 O ATOM 839 CB CYS A 296 -7.808 -3.473 12.319 1.00 0.00 C ATOM 840 SG CYS A 296 -8.507 -2.765 10.808 1.00 0.00 S ATOM 0 H CYS A 296 -7.211 -5.503 11.373 1.00 0.00 H new ATOM 0 HA CYS A 296 -5.809 -3.062 11.481 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.344 -4.384 12.585 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -7.933 -2.776 13.148 1.00 0.00 H new ATOM 0 HG CYS A 296 -7.547 -2.475 9.980 1.00 0.00 H new ATOM 845 N ASP A 297 -5.248 -4.828 14.065 1.00 0.00 N ATOM 846 CA ASP A 297 -4.530 -4.934 15.336 1.00 0.00 C ATOM 847 C ASP A 297 -3.011 -5.053 15.109 1.00 0.00 C ATOM 848 O ASP A 297 -2.230 -5.130 16.059 1.00 0.00 O ATOM 849 CB ASP A 297 -5.131 -6.120 16.099 1.00 0.00 C ATOM 850 CG ASP A 297 -4.652 -6.210 17.558 1.00 0.00 C ATOM 851 OD1 ASP A 297 -4.898 -5.256 18.334 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.072 -7.257 17.937 1.00 0.00 O ATOM 0 H ASP A 297 -5.490 -5.737 13.671 1.00 0.00 H new ATOM 0 HA ASP A 297 -4.650 -4.032 15.936 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.218 -6.039 16.085 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -4.874 -7.044 15.582 1.00 0.00 H new ATOM 857 N ILE A 298 -2.586 -5.037 13.839 1.00 0.00 N ATOM 858 CA ILE A 298 -1.185 -5.059 13.421 1.00 0.00 C ATOM 859 C ILE A 298 -0.737 -3.621 13.124 1.00 0.00 C ATOM 860 O ILE A 298 -1.435 -2.915 12.382 1.00 0.00 O ATOM 861 CB ILE A 298 -0.966 -5.976 12.198 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.502 -7.388 12.514 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.525 -6.023 11.835 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.303 -8.419 11.397 1.00 0.00 C ATOM 0 H ILE A 298 -3.232 -5.007 13.051 1.00 0.00 H new ATOM 0 HA ILE A 298 -0.580 -5.472 14.228 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.510 -5.579 11.341 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.012 -7.753 13.417 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -2.567 -7.315 12.736 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.669 -6.672 10.971 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.873 -5.018 11.596 1.00 0.00 H new ATOM 0 HG23 ILE A 298 1.093 -6.412 12.680 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -1.711 -9.380 11.711 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -1.817 -8.084 10.496 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.239 -8.528 11.188 1.00 0.00 H new ATOM 876 N PRO A 299 0.423 -3.196 13.655 1.00 0.00 N ATOM 877 CA PRO A 299 0.955 -1.853 13.479 1.00 0.00 C ATOM 878 C PRO A 299 1.271 -1.539 12.013 1.00 0.00 C ATOM 879 O PRO A 299 1.438 -2.433 11.187 1.00 0.00 O ATOM 880 CB PRO A 299 2.210 -1.804 14.355 1.00 0.00 C ATOM 881 CG PRO A 299 2.660 -3.257 14.469 1.00 0.00 C ATOM 882 CD PRO A 299 1.338 -4.013 14.441 1.00 0.00 C ATOM 0 HA PRO A 299 0.227 -1.096 13.770 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.984 -1.184 13.903 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.993 -1.379 15.335 1.00 0.00 H new ATOM 0 HG2 PRO A 299 3.311 -3.546 13.644 1.00 0.00 H new ATOM 0 HG3 PRO A 299 3.213 -3.440 15.390 1.00 0.00 H new ATOM 0 HD2 PRO A 299 1.462 -4.999 13.994 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.955 -4.166 15.450 1.00 0.00 H new ATOM 890 N GLU A 300 1.357 -0.247 11.693 1.00 0.00 N ATOM 891 CA GLU A 300 1.795 0.250 10.388 1.00 0.00 C ATOM 892 C GLU A 300 3.304 -0.035 10.175 1.00 0.00 C ATOM 893 O GLU A 300 4.078 -0.138 11.133 1.00 0.00 O ATOM 894 CB GLU A 300 1.422 1.745 10.306 1.00 0.00 C ATOM 895 CG GLU A 300 0.862 2.184 8.951 1.00 0.00 C ATOM 896 CD GLU A 300 1.953 2.469 7.914 1.00 0.00 C ATOM 897 OE1 GLU A 300 2.373 1.514 7.222 1.00 0.00 O ATOM 898 OE2 GLU A 300 2.368 3.645 7.790 1.00 0.00 O ATOM 0 H GLU A 300 1.119 0.498 12.347 1.00 0.00 H new ATOM 0 HA GLU A 300 1.292 -0.269 9.572 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.685 1.966 11.079 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.307 2.341 10.530 1.00 0.00 H new ATOM 0 HG2 GLU A 300 0.200 1.407 8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 300 0.256 3.080 9.088 1.00 0.00 H new ATOM 1027 N ARG B 2 -8.953 5.855 1.169 1.00 0.00 N ATOM 1028 CA ARG B 2 -7.959 6.611 0.384 1.00 0.00 C ATOM 1029 C ARG B 2 -6.957 5.675 -0.296 1.00 0.00 C ATOM 1030 O ARG B 2 -6.673 4.577 0.193 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.212 7.662 1.221 1.00 0.00 C ATOM 1032 CG ARG B 2 -8.133 8.815 1.636 1.00 0.00 C ATOM 1033 CD ARG B 2 -7.365 9.929 2.359 1.00 0.00 C ATOM 1034 NE ARG B 2 -8.280 10.955 2.892 1.00 0.00 N ATOM 1035 CZ ARG B 2 -8.789 11.997 2.241 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -8.511 12.242 0.977 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -9.600 12.820 2.869 1.00 0.00 N ATOM 0 HA ARG B 2 -8.524 7.144 -0.381 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -6.796 7.190 2.111 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.373 8.055 0.647 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -8.622 9.225 0.752 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -8.920 8.435 2.287 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -6.782 9.501 3.174 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.658 10.392 1.670 1.00 0.00 H new ATOM 0 HE ARG B 2 -8.553 10.854 3.870 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -7.885 11.622 0.463 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -8.921 13.052 0.512 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -9.834 12.657 3.848 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -9.995 13.622 2.377 1.00 0.00 H new ATOM 1051 N THR B 3 -6.407 6.154 -1.410 1.00 0.00 N ATOM 1052 CA THR B 3 -5.423 5.472 -2.261 1.00 0.00 C ATOM 1053 C THR B 3 -4.326 6.443 -2.666 1.00 0.00 C ATOM 1054 O THR B 3 -4.574 7.630 -2.890 1.00 0.00 O ATOM 1055 CB THR B 3 -6.074 4.859 -3.511 1.00 0.00 C ATOM 1056 OG1 THR B 3 -6.995 5.751 -4.105 1.00 0.00 O ATOM 1057 CG2 THR B 3 -6.789 3.548 -3.188 1.00 0.00 C ATOM 0 H THR B 3 -6.647 7.079 -1.766 1.00 0.00 H new ATOM 0 HA THR B 3 -4.992 4.656 -1.681 1.00 0.00 H new ATOM 0 HB THR B 3 -5.265 4.659 -4.213 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.390 5.333 -4.898 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.237 3.144 -4.096 1.00 0.00 H new ATOM 0 HG22 THR B 3 -6.072 2.831 -2.788 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.569 3.732 -2.449 1.00 0.00 H new