USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 470 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 421 CYS SG : rot 163:sc= -12.1! USER MOD Set 1.2: A 427 CYS SG : rot 147:sc= -4.4! USER MOD Set 1.3: A 434 HIS : no HD1:sc= -9.65! C(o=-32!,f=-59!) USER MOD Set 1.4: A 440 HIS : no HE2:sc= -6.1! C(o=-32!,f=-63!) USER MOD Set 2.1: A 394 GLN : amide:sc= -1.87! C(o=-6.1!,f=-9.5!) USER MOD Set 2.2: A 395 HIS : no HE2:sc= -4.22! C(o=-6.1!,f=-9.8!) USER MOD Set 3.1: A 379 CYS SG : rot 100:sc= -6.42! USER MOD Set 3.2: A 385 CYS SG : rot -127:sc= -8.59! USER MOD Set 3.3: A 392 HIS : no HD1:sc= -5.56! C(o=-32!,f=-70!) USER MOD Set 3.4: A 398 HIS : no HD1:sc= -11.6! C(o=-32!,f=-72!) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 380 MET CE :methyl -166:sc= -0.0359 (180deg=-0.337) USER MOD Single : A 381 TYR OH : rot 180:sc= 0 USER MOD Single : A 384 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 388 LYS NZ :NH3+ 167:sc= -0.0568 (180deg=-0.312) USER MOD Single : A 389 ASN : amide:sc= -2 K(o=-2,f=-9.4!) USER MOD Single : A 397 SER OG : rot -140:sc= -0.968 USER MOD Single : A 402 SER OG : rot 180:sc= 0 USER MOD Single : A 404 TYR OH : rot 180:sc= 0 USER MOD Single : A 423 TYR OH : rot 180:sc= 0 USER MOD Single : A 426 SER OG : rot 180:sc= 0 USER MOD Single : A 428 TYR OH : rot 180:sc= 0 USER MOD Single : A 430 LYS NZ :NH3+ 145:sc= -2.07! (180deg=-4.29!) USER MOD Single : A 431 ASN : amide:sc= -3.48! C(o=-3.5!,f=-4.5!) USER MOD Single : A 433 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.063) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 ASN :FLIP amide:sc= -0.67 F(o=-2.8!,f=-0.67) USER MOD Single : A 442 THR OG1 : rot 180:sc= 0.00761 USER MOD Single : A 447 ASN : amide:sc= -0.204 K(o=-0.2,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 256 N ARG A 376 -6.117 12.111 -6.885 1.00 0.00 N ATOM 257 CA ARG A 376 -4.960 11.839 -7.748 1.00 0.00 C ATOM 258 C ARG A 376 -3.969 10.917 -7.063 1.00 0.00 C ATOM 259 O ARG A 376 -3.939 10.817 -5.826 1.00 0.00 O ATOM 260 CB ARG A 376 -4.217 13.120 -8.165 1.00 0.00 C ATOM 261 CG ARG A 376 -4.880 13.894 -9.288 1.00 0.00 C ATOM 262 CD ARG A 376 -6.040 14.774 -8.817 1.00 0.00 C ATOM 263 NE ARG A 376 -5.573 15.795 -7.891 1.00 0.00 N ATOM 264 CZ ARG A 376 -6.211 16.934 -7.636 1.00 0.00 C ATOM 265 NH1 ARG A 376 -7.347 17.230 -8.245 1.00 0.00 N ATOM 266 NH2 ARG A 376 -5.692 17.794 -6.776 1.00 0.00 N ATOM 0 HA ARG A 376 -5.365 11.362 -8.641 1.00 0.00 H new ATOM 0 HB2 ARG A 376 -4.126 13.772 -7.296 1.00 0.00 H new ATOM 0 HB3 ARG A 376 -3.205 12.855 -8.472 1.00 0.00 H new ATOM 0 HG2 ARG A 376 -4.134 14.520 -9.778 1.00 0.00 H new ATOM 0 HG3 ARG A 376 -5.247 13.191 -10.036 1.00 0.00 H new ATOM 0 HD2 ARG A 376 -6.516 15.247 -9.676 1.00 0.00 H new ATOM 0 HD3 ARG A 376 -6.797 14.157 -8.333 1.00 0.00 H new ATOM 0 HE ARG A 376 -4.694 15.625 -7.403 1.00 0.00 H new ATOM 0 HH11 ARG A 376 -7.747 16.580 -8.922 1.00 0.00 H new ATOM 0 HH12 ARG A 376 -7.823 18.108 -8.038 1.00 0.00 H new ATOM 0 HH21 ARG A 376 -4.808 17.582 -6.313 1.00 0.00 H new ATOM 0 HH22 ARG A 376 -6.176 18.669 -6.575 1.00 0.00 H new ATOM 280 N THR A 377 -3.152 10.281 -7.883 1.00 0.00 N ATOM 281 CA THR A 377 -2.058 9.461 -7.452 1.00 0.00 C ATOM 282 C THR A 377 -0.762 10.261 -7.592 1.00 0.00 C ATOM 283 O THR A 377 -0.595 10.982 -8.570 1.00 0.00 O ATOM 284 CB THR A 377 -2.012 8.187 -8.305 1.00 0.00 C ATOM 285 OG1 THR A 377 -3.094 7.311 -7.936 1.00 0.00 O ATOM 286 CG2 THR A 377 -0.689 7.458 -8.157 1.00 0.00 C ATOM 0 H THR A 377 -3.243 10.329 -8.898 1.00 0.00 H new ATOM 0 HA THR A 377 -2.184 9.170 -6.409 1.00 0.00 H new ATOM 0 HB THR A 377 -2.116 8.483 -9.349 1.00 0.00 H new ATOM 0 HG1 THR A 377 -3.060 6.500 -8.485 1.00 0.00 H new ATOM 0 HG21 THR A 377 -0.696 6.561 -8.777 1.00 0.00 H new ATOM 0 HG22 THR A 377 0.124 8.111 -8.474 1.00 0.00 H new ATOM 0 HG23 THR A 377 -0.543 7.177 -7.114 1.00 0.00 H new ATOM 294 N SER A 378 0.159 10.155 -6.639 1.00 0.00 N ATOM 295 CA SER A 378 1.423 10.887 -6.703 1.00 0.00 C ATOM 296 C SER A 378 2.140 10.584 -8.028 1.00 0.00 C ATOM 297 O SER A 378 2.396 9.431 -8.358 1.00 0.00 O ATOM 298 CB SER A 378 2.307 10.515 -5.501 1.00 0.00 C ATOM 299 OG SER A 378 1.648 10.834 -4.275 1.00 0.00 O ATOM 0 H SER A 378 0.055 9.568 -5.811 1.00 0.00 H new ATOM 0 HA SER A 378 1.221 11.957 -6.661 1.00 0.00 H new ATOM 0 HB2 SER A 378 2.539 9.450 -5.529 1.00 0.00 H new ATOM 0 HB3 SER A 378 3.255 11.050 -5.560 1.00 0.00 H new ATOM 0 HG SER A 378 2.224 10.589 -3.521 1.00 0.00 H new ATOM 305 N CYS A 379 2.439 11.648 -8.807 1.00 0.00 N ATOM 306 CA CYS A 379 3.133 11.511 -10.087 1.00 0.00 C ATOM 307 C CYS A 379 4.377 10.663 -9.922 1.00 0.00 C ATOM 308 O CYS A 379 5.275 10.983 -9.118 1.00 0.00 O ATOM 309 CB CYS A 379 3.477 12.902 -10.652 1.00 0.00 C ATOM 310 SG CYS A 379 4.031 12.940 -12.381 1.00 0.00 S ATOM 0 H CYS A 379 2.205 12.610 -8.562 1.00 0.00 H new ATOM 0 HA CYS A 379 2.477 11.008 -10.797 1.00 0.00 H new ATOM 0 HB2 CYS A 379 2.597 13.539 -10.558 1.00 0.00 H new ATOM 0 HB3 CYS A 379 4.257 13.343 -10.031 1.00 0.00 H new ATOM 0 HG CYS A 379 3.040 13.289 -13.147 1.00 0.00 H new ATOM 315 N MET A 380 4.450 9.589 -10.700 1.00 0.00 N ATOM 316 CA MET A 380 5.558 8.629 -10.621 1.00 0.00 C ATOM 317 C MET A 380 6.904 9.308 -10.922 1.00 0.00 C ATOM 318 O MET A 380 7.959 8.778 -10.601 1.00 0.00 O ATOM 319 CB MET A 380 5.318 7.448 -11.578 1.00 0.00 C ATOM 320 CG MET A 380 5.432 7.832 -13.047 1.00 0.00 C ATOM 321 SD MET A 380 4.955 6.496 -14.176 1.00 0.00 S ATOM 322 CE MET A 380 6.170 5.231 -13.733 1.00 0.00 C ATOM 0 H MET A 380 3.748 9.355 -11.402 1.00 0.00 H new ATOM 0 HA MET A 380 5.599 8.245 -9.602 1.00 0.00 H new ATOM 0 HB2 MET A 380 6.038 6.659 -11.359 1.00 0.00 H new ATOM 0 HB3 MET A 380 4.326 7.035 -11.393 1.00 0.00 H new ATOM 0 HG2 MET A 380 4.803 8.702 -13.238 1.00 0.00 H new ATOM 0 HG3 MET A 380 6.459 8.128 -13.259 1.00 0.00 H new ATOM 0 HE1 MET A 380 6.176 4.450 -14.494 1.00 0.00 H new ATOM 0 HE2 MET A 380 7.160 5.684 -13.669 1.00 0.00 H new ATOM 0 HE3 MET A 380 5.907 4.796 -12.769 1.00 0.00 H new ATOM 332 N TYR A 381 6.834 10.491 -11.549 1.00 0.00 N ATOM 333 CA TYR A 381 8.032 11.263 -11.845 1.00 0.00 C ATOM 334 C TYR A 381 8.059 12.560 -11.026 1.00 0.00 C ATOM 335 O TYR A 381 9.079 13.263 -10.989 1.00 0.00 O ATOM 336 CB TYR A 381 8.103 11.619 -13.337 1.00 0.00 C ATOM 337 CG TYR A 381 8.151 10.406 -14.258 1.00 0.00 C ATOM 338 CD1 TYR A 381 9.130 9.435 -14.104 1.00 0.00 C ATOM 339 CD2 TYR A 381 7.219 10.246 -15.273 1.00 0.00 C ATOM 340 CE1 TYR A 381 9.179 8.338 -14.951 1.00 0.00 C ATOM 341 CE2 TYR A 381 7.263 9.148 -16.114 1.00 0.00 C ATOM 342 CZ TYR A 381 8.238 8.210 -15.954 1.00 0.00 C ATOM 343 OH TYR A 381 8.287 7.132 -16.803 1.00 0.00 O ATOM 0 H TYR A 381 5.963 10.925 -11.856 1.00 0.00 H new ATOM 0 HA TYR A 381 8.890 10.645 -11.580 1.00 0.00 H new ATOM 0 HB2 TYR A 381 7.237 12.227 -13.597 1.00 0.00 H new ATOM 0 HB3 TYR A 381 8.987 12.232 -13.513 1.00 0.00 H new ATOM 0 HD1 TYR A 381 9.862 9.535 -13.316 1.00 0.00 H new ATOM 0 HD2 TYR A 381 6.448 10.990 -15.409 1.00 0.00 H new ATOM 0 HE1 TYR A 381 9.947 7.589 -14.827 1.00 0.00 H new ATOM 0 HE2 TYR A 381 6.526 9.035 -16.895 1.00 0.00 H new ATOM 0 HH TYR A 381 7.554 7.192 -17.450 1.00 0.00 H new ATOM 353 N GLY A 382 6.930 12.880 -10.384 1.00 0.00 N ATOM 354 CA GLY A 382 6.842 14.115 -9.639 1.00 0.00 C ATOM 355 C GLY A 382 6.935 15.319 -10.557 1.00 0.00 C ATOM 356 O GLY A 382 6.274 15.360 -11.598 1.00 0.00 O ATOM 0 H GLY A 382 6.087 12.306 -10.371 1.00 0.00 H new ATOM 0 HA2 GLY A 382 5.901 14.145 -9.090 1.00 0.00 H new ATOM 0 HA3 GLY A 382 7.643 14.155 -8.901 1.00 0.00 H new ATOM 360 N ALA A 383 7.784 16.263 -10.209 1.00 0.00 N ATOM 361 CA ALA A 383 7.969 17.472 -11.013 1.00 0.00 C ATOM 362 C ALA A 383 8.798 17.169 -12.263 1.00 0.00 C ATOM 363 O ALA A 383 8.864 17.977 -13.196 1.00 0.00 O ATOM 364 CB ALA A 383 8.666 18.549 -10.197 1.00 0.00 C ATOM 0 H ALA A 383 8.364 16.224 -9.371 1.00 0.00 H new ATOM 0 HA ALA A 383 6.984 17.828 -11.316 1.00 0.00 H new ATOM 0 HB1 ALA A 383 8.796 19.442 -10.809 1.00 0.00 H new ATOM 0 HB2 ALA A 383 8.061 18.793 -9.324 1.00 0.00 H new ATOM 0 HB3 ALA A 383 9.641 18.186 -9.873 1.00 0.00 H new ATOM 370 N ASN A 384 9.406 15.973 -12.297 1.00 0.00 N ATOM 371 CA ASN A 384 10.338 15.611 -13.377 1.00 0.00 C ATOM 372 C ASN A 384 9.614 15.168 -14.638 1.00 0.00 C ATOM 373 O ASN A 384 10.234 14.978 -15.678 1.00 0.00 O ATOM 374 CB ASN A 384 11.296 14.517 -12.900 1.00 0.00 C ATOM 375 CG ASN A 384 12.077 14.898 -11.637 1.00 0.00 C ATOM 376 OD1 ASN A 384 13.160 15.492 -11.712 1.00 0.00 O ATOM 377 ND2 ASN A 384 11.531 14.542 -10.471 1.00 0.00 N ATOM 0 H ASN A 384 9.271 15.245 -11.595 1.00 0.00 H new ATOM 0 HA ASN A 384 10.907 16.505 -13.631 1.00 0.00 H new ATOM 0 HB2 ASN A 384 10.728 13.607 -12.706 1.00 0.00 H new ATOM 0 HB3 ASN A 384 12.001 14.289 -13.699 1.00 0.00 H new ATOM 0 HD21 ASN A 384 12.009 14.759 -9.597 1.00 0.00 H new ATOM 0 HD22 ASN A 384 10.636 14.053 -10.455 1.00 0.00 H new ATOM 384 N CYS A 385 8.291 14.974 -14.549 1.00 0.00 N ATOM 385 CA CYS A 385 7.514 14.596 -15.724 1.00 0.00 C ATOM 386 C CYS A 385 7.311 15.800 -16.652 1.00 0.00 C ATOM 387 O CYS A 385 6.940 16.883 -16.201 1.00 0.00 O ATOM 388 CB CYS A 385 6.164 13.961 -15.325 1.00 0.00 C ATOM 389 SG CYS A 385 5.192 14.923 -14.127 1.00 0.00 S ATOM 0 H CYS A 385 7.750 15.072 -13.690 1.00 0.00 H new ATOM 0 HA CYS A 385 8.079 13.841 -16.271 1.00 0.00 H new ATOM 0 HB2 CYS A 385 5.566 13.818 -16.225 1.00 0.00 H new ATOM 0 HB3 CYS A 385 6.353 12.972 -14.907 1.00 0.00 H new ATOM 0 HG CYS A 385 4.867 14.164 -13.123 1.00 0.00 H new ATOM 394 N TYR A 386 7.538 15.586 -17.948 1.00 0.00 N ATOM 395 CA TYR A 386 7.520 16.664 -18.929 1.00 0.00 C ATOM 396 C TYR A 386 6.099 16.964 -19.408 1.00 0.00 C ATOM 397 O TYR A 386 5.904 17.633 -20.407 1.00 0.00 O ATOM 398 CB TYR A 386 8.431 16.336 -20.127 1.00 0.00 C ATOM 399 CG TYR A 386 8.097 15.039 -20.841 1.00 0.00 C ATOM 400 CD1 TYR A 386 7.039 14.975 -21.753 1.00 0.00 C ATOM 401 CD2 TYR A 386 8.845 13.896 -20.626 1.00 0.00 C ATOM 402 CE1 TYR A 386 6.751 13.805 -22.409 1.00 0.00 C ATOM 403 CE2 TYR A 386 8.559 12.719 -21.285 1.00 0.00 C ATOM 404 CZ TYR A 386 7.508 12.683 -22.175 1.00 0.00 C ATOM 405 OH TYR A 386 7.219 11.499 -22.835 1.00 0.00 O ATOM 0 H TYR A 386 7.738 14.667 -18.342 1.00 0.00 H new ATOM 0 HA TYR A 386 7.904 17.557 -18.436 1.00 0.00 H new ATOM 0 HB2 TYR A 386 8.374 17.155 -20.844 1.00 0.00 H new ATOM 0 HB3 TYR A 386 9.463 16.288 -19.779 1.00 0.00 H new ATOM 0 HD1 TYR A 386 6.443 15.855 -21.943 1.00 0.00 H new ATOM 0 HD2 TYR A 386 9.669 13.926 -19.929 1.00 0.00 H new ATOM 0 HE1 TYR A 386 5.930 13.766 -23.109 1.00 0.00 H new ATOM 0 HE2 TYR A 386 9.153 11.835 -21.105 1.00 0.00 H new ATOM 0 HH TYR A 386 7.852 10.805 -22.554 1.00 0.00 H new ATOM 415 N ARG A 387 5.112 16.437 -18.674 1.00 0.00 N ATOM 416 CA ARG A 387 3.702 16.658 -19.013 1.00 0.00 C ATOM 417 C ARG A 387 3.148 17.815 -18.183 1.00 0.00 C ATOM 418 O ARG A 387 3.176 17.776 -16.946 1.00 0.00 O ATOM 419 CB ARG A 387 2.882 15.385 -18.797 1.00 0.00 C ATOM 420 CG ARG A 387 3.244 14.254 -19.759 1.00 0.00 C ATOM 421 CD ARG A 387 2.953 14.627 -21.214 1.00 0.00 C ATOM 422 NE ARG A 387 3.314 13.546 -22.136 1.00 0.00 N ATOM 423 CZ ARG A 387 2.972 13.513 -23.441 1.00 0.00 C ATOM 424 NH1 ARG A 387 2.243 14.504 -23.958 1.00 0.00 N ATOM 425 NH2 ARG A 387 3.350 12.502 -24.199 1.00 0.00 N ATOM 0 H ARG A 387 5.262 15.859 -17.847 1.00 0.00 H new ATOM 0 HA ARG A 387 3.630 16.918 -20.069 1.00 0.00 H new ATOM 0 HB2 ARG A 387 3.025 15.040 -17.773 1.00 0.00 H new ATOM 0 HB3 ARG A 387 1.824 15.621 -18.909 1.00 0.00 H new ATOM 0 HG2 ARG A 387 4.301 14.010 -19.651 1.00 0.00 H new ATOM 0 HG3 ARG A 387 2.682 13.359 -19.494 1.00 0.00 H new ATOM 0 HD2 ARG A 387 1.894 14.860 -21.325 1.00 0.00 H new ATOM 0 HD3 ARG A 387 3.507 15.528 -21.476 1.00 0.00 H new ATOM 0 HE ARG A 387 3.860 12.767 -21.767 1.00 0.00 H new ATOM 0 HH11 ARG A 387 1.947 15.281 -23.367 1.00 0.00 H new ATOM 0 HH12 ARG A 387 1.982 14.484 -24.944 1.00 0.00 H new ATOM 0 HH21 ARG A 387 3.902 11.743 -23.799 1.00 0.00 H new ATOM 0 HH22 ARG A 387 3.090 12.479 -25.185 1.00 0.00 H new ATOM 439 N LYS A 388 2.664 18.847 -18.870 1.00 0.00 N ATOM 440 CA LYS A 388 2.130 20.057 -18.227 1.00 0.00 C ATOM 441 C LYS A 388 0.616 20.109 -18.373 1.00 0.00 C ATOM 442 O LYS A 388 -0.072 20.837 -17.642 1.00 0.00 O ATOM 443 CB LYS A 388 2.745 21.321 -18.855 1.00 0.00 C ATOM 444 CG LYS A 388 4.256 21.432 -18.723 1.00 0.00 C ATOM 445 CD LYS A 388 5.011 20.523 -19.677 1.00 0.00 C ATOM 446 CE LYS A 388 4.764 20.904 -21.150 1.00 0.00 C ATOM 447 NZ LYS A 388 5.131 22.328 -21.418 1.00 0.00 N ATOM 0 H LYS A 388 2.629 18.873 -19.889 1.00 0.00 H new ATOM 0 HA LYS A 388 2.391 20.021 -17.169 1.00 0.00 H new ATOM 0 HB2 LYS A 388 2.485 21.347 -19.913 1.00 0.00 H new ATOM 0 HB3 LYS A 388 2.289 22.197 -18.393 1.00 0.00 H new ATOM 0 HG2 LYS A 388 4.555 22.465 -18.903 1.00 0.00 H new ATOM 0 HG3 LYS A 388 4.543 21.191 -17.699 1.00 0.00 H new ATOM 0 HD2 LYS A 388 6.078 20.577 -19.462 1.00 0.00 H new ATOM 0 HD3 LYS A 388 4.705 19.490 -19.513 1.00 0.00 H new ATOM 0 HE2 LYS A 388 5.346 20.249 -21.798 1.00 0.00 H new ATOM 0 HE3 LYS A 388 3.714 20.745 -21.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 5.164 22.491 -22.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 4.420 22.956 -20.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 6.064 22.530 -21.005 1.00 0.00 H new ATOM 461 N ASN A 389 0.133 19.395 -19.371 1.00 0.00 N ATOM 462 CA ASN A 389 -1.311 19.264 -19.639 1.00 0.00 C ATOM 463 C ASN A 389 -2.095 19.003 -18.338 1.00 0.00 C ATOM 464 O ASN A 389 -1.676 18.204 -17.495 1.00 0.00 O ATOM 465 CB ASN A 389 -1.578 18.124 -20.633 1.00 0.00 C ATOM 466 CG ASN A 389 -1.113 16.763 -20.113 1.00 0.00 C ATOM 467 OD1 ASN A 389 -0.095 16.659 -19.444 1.00 0.00 O ATOM 468 ND2 ASN A 389 -1.872 15.723 -20.417 1.00 0.00 N ATOM 0 H ASN A 389 0.721 18.883 -20.028 1.00 0.00 H new ATOM 0 HA ASN A 389 -1.650 20.205 -20.072 1.00 0.00 H new ATOM 0 HB2 ASN A 389 -2.645 18.080 -20.850 1.00 0.00 H new ATOM 0 HB3 ASN A 389 -1.071 18.341 -21.573 1.00 0.00 H new ATOM 0 HD21 ASN A 389 -1.615 14.791 -20.090 1.00 0.00 H new ATOM 0 HD22 ASN A 389 -2.714 15.853 -20.978 1.00 0.00 H new ATOM 475 N PRO A 390 -3.250 19.680 -18.164 1.00 0.00 N ATOM 476 CA PRO A 390 -4.062 19.579 -16.941 1.00 0.00 C ATOM 477 C PRO A 390 -4.509 18.148 -16.658 1.00 0.00 C ATOM 478 O PRO A 390 -4.789 17.779 -15.518 1.00 0.00 O ATOM 479 CB PRO A 390 -5.274 20.486 -17.227 1.00 0.00 C ATOM 480 CG PRO A 390 -5.311 20.634 -18.712 1.00 0.00 C ATOM 481 CD PRO A 390 -3.875 20.590 -19.152 1.00 0.00 C ATOM 0 HA PRO A 390 -3.500 19.878 -16.056 1.00 0.00 H new ATOM 0 HB2 PRO A 390 -6.196 20.041 -16.853 1.00 0.00 H new ATOM 0 HB3 PRO A 390 -5.166 21.454 -16.737 1.00 0.00 H new ATOM 0 HG2 PRO A 390 -5.888 19.832 -19.173 1.00 0.00 H new ATOM 0 HG3 PRO A 390 -5.782 21.573 -19.002 1.00 0.00 H new ATOM 0 HD2 PRO A 390 -3.776 20.210 -20.169 1.00 0.00 H new ATOM 0 HD3 PRO A 390 -3.417 21.579 -19.135 1.00 0.00 H new ATOM 489 N VAL A 391 -4.558 17.333 -17.712 1.00 0.00 N ATOM 490 CA VAL A 391 -4.957 15.946 -17.583 1.00 0.00 C ATOM 491 C VAL A 391 -3.919 15.160 -16.797 1.00 0.00 C ATOM 492 O VAL A 391 -4.273 14.277 -16.019 1.00 0.00 O ATOM 493 CB VAL A 391 -5.215 15.281 -18.959 1.00 0.00 C ATOM 494 CG1 VAL A 391 -5.490 13.774 -18.800 1.00 0.00 C ATOM 495 CG2 VAL A 391 -6.398 15.968 -19.651 1.00 0.00 C ATOM 0 H VAL A 391 -4.324 17.618 -18.663 1.00 0.00 H new ATOM 0 HA VAL A 391 -5.899 15.933 -17.035 1.00 0.00 H new ATOM 0 HB VAL A 391 -4.322 15.396 -19.574 1.00 0.00 H new ATOM 0 HG11 VAL A 391 -5.668 13.331 -19.780 1.00 0.00 H new ATOM 0 HG12 VAL A 391 -4.629 13.294 -18.336 1.00 0.00 H new ATOM 0 HG13 VAL A 391 -6.369 13.629 -18.171 1.00 0.00 H new ATOM 0 HG21 VAL A 391 -6.577 15.498 -20.618 1.00 0.00 H new ATOM 0 HG22 VAL A 391 -7.289 15.871 -19.030 1.00 0.00 H new ATOM 0 HG23 VAL A 391 -6.171 17.024 -19.797 1.00 0.00 H new ATOM 505 N HIS A 392 -2.639 15.479 -16.955 1.00 0.00 N ATOM 506 CA HIS A 392 -1.590 14.795 -16.204 1.00 0.00 C ATOM 507 C HIS A 392 -1.774 15.054 -14.697 1.00 0.00 C ATOM 508 O HIS A 392 -1.288 14.299 -13.855 1.00 0.00 O ATOM 509 CB HIS A 392 -0.204 15.255 -16.661 1.00 0.00 C ATOM 510 CG HIS A 392 0.943 14.522 -15.999 1.00 0.00 C ATOM 511 ND1 HIS A 392 1.064 13.162 -15.971 1.00 0.00 N ATOM 512 CD2 HIS A 392 1.971 15.008 -15.254 1.00 0.00 C ATOM 513 CE1 HIS A 392 2.157 12.851 -15.250 1.00 0.00 C ATOM 514 NE2 HIS A 392 2.744 13.942 -14.777 1.00 0.00 N ATOM 0 H HIS A 392 -2.303 16.202 -17.592 1.00 0.00 H new ATOM 0 HA HIS A 392 -1.668 13.724 -16.393 1.00 0.00 H new ATOM 0 HB2 HIS A 392 -0.128 15.125 -17.741 1.00 0.00 H new ATOM 0 HB3 HIS A 392 -0.103 16.322 -16.460 1.00 0.00 H new ATOM 0 HD2 HIS A 392 2.162 16.053 -15.060 1.00 0.00 H new ATOM 0 HE1 HIS A 392 2.510 11.845 -15.079 1.00 0.00 H new ATOM 0 HE2 HIS A 392 3.578 13.994 -14.192 1.00 0.00 H new ATOM 522 N PHE A 393 -2.517 16.112 -14.374 1.00 0.00 N ATOM 523 CA PHE A 393 -2.757 16.513 -12.977 1.00 0.00 C ATOM 524 C PHE A 393 -4.104 15.980 -12.484 1.00 0.00 C ATOM 525 O PHE A 393 -4.399 16.106 -11.298 1.00 0.00 O ATOM 526 CB PHE A 393 -2.718 18.048 -12.847 1.00 0.00 C ATOM 527 CG PHE A 393 -1.372 18.656 -13.177 1.00 0.00 C ATOM 528 CD1 PHE A 393 -1.019 18.938 -14.491 1.00 0.00 C ATOM 529 CD2 PHE A 393 -0.453 18.912 -12.164 1.00 0.00 C ATOM 530 CE1 PHE A 393 0.221 19.470 -14.784 1.00 0.00 C ATOM 531 CE2 PHE A 393 0.789 19.447 -12.461 1.00 0.00 C ATOM 532 CZ PHE A 393 1.121 19.731 -13.767 1.00 0.00 C ATOM 0 H PHE A 393 -2.969 16.714 -15.062 1.00 0.00 H new ATOM 0 HA PHE A 393 -1.968 16.085 -12.359 1.00 0.00 H new ATOM 0 HB2 PHE A 393 -3.472 18.478 -13.506 1.00 0.00 H new ATOM 0 HB3 PHE A 393 -2.991 18.324 -11.828 1.00 0.00 H new ATOM 0 HD1 PHE A 393 -1.719 18.740 -15.289 1.00 0.00 H new ATOM 0 HD2 PHE A 393 -0.710 18.692 -11.139 1.00 0.00 H new ATOM 0 HE1 PHE A 393 0.488 19.683 -15.809 1.00 0.00 H new ATOM 0 HE2 PHE A 393 1.497 19.641 -11.669 1.00 0.00 H new ATOM 0 HZ PHE A 393 2.086 20.158 -13.997 1.00 0.00 H new ATOM 542 N GLN A 394 -4.902 15.400 -13.377 1.00 0.00 N ATOM 543 CA GLN A 394 -6.220 14.903 -13.002 1.00 0.00 C ATOM 544 C GLN A 394 -6.136 13.465 -12.495 1.00 0.00 C ATOM 545 O GLN A 394 -7.047 12.973 -11.818 1.00 0.00 O ATOM 546 CB GLN A 394 -7.211 15.024 -14.192 1.00 0.00 C ATOM 547 CG GLN A 394 -7.069 13.952 -15.274 1.00 0.00 C ATOM 548 CD GLN A 394 -7.831 12.660 -14.993 1.00 0.00 C ATOM 549 OE1 GLN A 394 -7.376 11.577 -15.372 1.00 0.00 O ATOM 550 NE2 GLN A 394 -8.986 12.761 -14.368 1.00 0.00 N ATOM 0 H GLN A 394 -4.660 15.264 -14.358 1.00 0.00 H new ATOM 0 HA GLN A 394 -6.599 15.519 -12.187 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -8.228 14.990 -13.801 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -7.080 16.002 -14.654 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -7.415 14.364 -16.222 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -6.012 13.716 -15.396 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -9.327 13.675 -14.071 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -9.540 11.925 -14.181 1.00 0.00 H new ATOM 559 N HIS A 395 -5.057 12.784 -12.840 1.00 0.00 N ATOM 560 CA HIS A 395 -4.796 11.410 -12.359 1.00 0.00 C ATOM 561 C HIS A 395 -3.474 11.331 -11.604 1.00 0.00 C ATOM 562 O HIS A 395 -3.248 10.374 -10.866 1.00 0.00 O ATOM 563 CB HIS A 395 -4.840 10.360 -13.492 1.00 0.00 C ATOM 564 CG HIS A 395 -4.024 10.703 -14.699 1.00 0.00 C ATOM 565 ND1 HIS A 395 -2.840 10.089 -14.985 1.00 0.00 N ATOM 566 CD2 HIS A 395 -4.230 11.600 -15.686 1.00 0.00 C ATOM 567 CE1 HIS A 395 -2.328 10.607 -16.083 1.00 0.00 C ATOM 568 NE2 HIS A 395 -3.165 11.527 -16.535 1.00 0.00 N ATOM 0 H HIS A 395 -4.333 13.152 -13.457 1.00 0.00 H new ATOM 0 HA HIS A 395 -5.606 11.168 -11.670 1.00 0.00 H new ATOM 0 HB2 HIS A 395 -4.494 9.405 -13.097 1.00 0.00 H new ATOM 0 HB3 HIS A 395 -5.877 10.221 -13.799 1.00 0.00 H new ATOM 0 HD1 HIS A 395 -2.416 9.343 -14.433 1.00 0.00 H new ATOM 0 HD2 HIS A 395 -5.082 12.256 -15.785 1.00 0.00 H new ATOM 0 HE1 HIS A 395 -1.388 10.329 -16.536 1.00 0.00 H new ATOM 577 N PHE A 396 -2.622 12.345 -11.740 1.00 0.00 N ATOM 578 CA PHE A 396 -1.394 12.406 -10.931 1.00 0.00 C ATOM 579 C PHE A 396 -1.184 13.783 -10.331 1.00 0.00 C ATOM 580 O PHE A 396 -1.202 14.809 -11.028 1.00 0.00 O ATOM 581 CB PHE A 396 -0.164 11.990 -11.758 1.00 0.00 C ATOM 582 CG PHE A 396 -0.104 10.517 -12.061 1.00 0.00 C ATOM 583 CD1 PHE A 396 0.441 9.624 -11.154 1.00 0.00 C ATOM 584 CD2 PHE A 396 -0.605 10.030 -13.249 1.00 0.00 C ATOM 585 CE1 PHE A 396 0.481 8.266 -11.439 1.00 0.00 C ATOM 586 CE2 PHE A 396 -0.563 8.688 -13.544 1.00 0.00 C ATOM 587 CZ PHE A 396 -0.020 7.803 -12.636 1.00 0.00 C ATOM 0 H PHE A 396 -2.749 13.123 -12.387 1.00 0.00 H new ATOM 0 HA PHE A 396 -1.516 11.699 -10.111 1.00 0.00 H new ATOM 0 HB2 PHE A 396 -0.165 12.544 -12.696 1.00 0.00 H new ATOM 0 HB3 PHE A 396 0.739 12.277 -11.219 1.00 0.00 H new ATOM 0 HD1 PHE A 396 0.838 9.987 -10.217 1.00 0.00 H new ATOM 0 HD2 PHE A 396 -1.039 10.716 -13.962 1.00 0.00 H new ATOM 0 HE1 PHE A 396 0.903 7.575 -10.725 1.00 0.00 H new ATOM 0 HE2 PHE A 396 -0.954 8.328 -14.484 1.00 0.00 H new ATOM 0 HZ PHE A 396 0.012 6.748 -12.863 1.00 0.00 H new ATOM 597 N SER A 397 -0.981 13.820 -9.013 1.00 0.00 N ATOM 598 CA SER A 397 -0.654 15.037 -8.291 1.00 0.00 C ATOM 599 C SER A 397 0.839 15.332 -8.449 1.00 0.00 C ATOM 600 O SER A 397 1.617 14.444 -8.792 1.00 0.00 O ATOM 601 CB SER A 397 -1.010 14.856 -6.807 1.00 0.00 C ATOM 602 OG SER A 397 -0.391 13.699 -6.262 1.00 0.00 O ATOM 0 H SER A 397 -1.041 12.995 -8.417 1.00 0.00 H new ATOM 0 HA SER A 397 -1.224 15.875 -8.692 1.00 0.00 H new ATOM 0 HB2 SER A 397 -0.696 15.736 -6.246 1.00 0.00 H new ATOM 0 HB3 SER A 397 -2.092 14.777 -6.698 1.00 0.00 H new ATOM 0 HG SER A 397 -1.018 13.245 -5.661 1.00 0.00 H new ATOM 608 N HIS A 398 1.225 16.572 -8.195 1.00 0.00 N ATOM 609 CA HIS A 398 2.617 17.016 -8.353 1.00 0.00 C ATOM 610 C HIS A 398 3.010 17.896 -7.173 1.00 0.00 C ATOM 611 O HIS A 398 2.116 18.433 -6.486 1.00 0.00 O ATOM 612 CB HIS A 398 2.766 17.755 -9.692 1.00 0.00 C ATOM 613 CG HIS A 398 2.645 16.830 -10.863 1.00 0.00 C ATOM 614 ND1 HIS A 398 1.465 16.212 -11.226 1.00 0.00 N ATOM 615 CD2 HIS A 398 3.590 16.345 -11.700 1.00 0.00 C ATOM 616 CE1 HIS A 398 1.716 15.375 -12.234 1.00 0.00 C ATOM 617 NE2 HIS A 398 3.011 15.418 -12.573 1.00 0.00 N ATOM 0 H HIS A 398 0.591 17.304 -7.874 1.00 0.00 H new ATOM 0 HA HIS A 398 3.289 16.158 -8.365 1.00 0.00 H new ATOM 0 HB2 HIS A 398 2.004 18.531 -9.764 1.00 0.00 H new ATOM 0 HB3 HIS A 398 3.734 18.255 -9.724 1.00 0.00 H new ATOM 0 HD2 HIS A 398 4.632 16.630 -11.695 1.00 0.00 H new ATOM 0 HE1 HIS A 398 0.977 14.749 -12.711 1.00 0.00 H new ATOM 0 HE2 HIS A 398 3.476 14.888 -13.310 1.00 0.00 H new ATOM 625 N PRO A 399 4.310 18.041 -6.874 1.00 0.00 N ATOM 626 CA PRO A 399 4.787 18.796 -5.711 1.00 0.00 C ATOM 627 C PRO A 399 4.139 20.180 -5.635 1.00 0.00 C ATOM 628 O PRO A 399 4.519 21.092 -6.364 1.00 0.00 O ATOM 629 CB PRO A 399 6.312 18.893 -5.910 1.00 0.00 C ATOM 630 CG PRO A 399 6.512 18.551 -7.351 1.00 0.00 C ATOM 631 CD PRO A 399 5.443 17.527 -7.661 1.00 0.00 C ATOM 0 HA PRO A 399 4.528 18.309 -4.771 1.00 0.00 H new ATOM 0 HB2 PRO A 399 6.681 19.893 -5.682 1.00 0.00 H new ATOM 0 HB3 PRO A 399 6.844 18.200 -5.258 1.00 0.00 H new ATOM 0 HG2 PRO A 399 6.410 19.433 -7.984 1.00 0.00 H new ATOM 0 HG3 PRO A 399 7.509 18.147 -7.526 1.00 0.00 H new ATOM 0 HD2 PRO A 399 5.216 17.480 -8.726 1.00 0.00 H new ATOM 0 HD3 PRO A 399 5.735 16.523 -7.353 1.00 0.00 H new ATOM 639 N GLY A 400 3.145 20.306 -4.759 1.00 0.00 N ATOM 640 CA GLY A 400 2.420 21.559 -4.611 1.00 0.00 C ATOM 641 C GLY A 400 0.927 21.392 -4.847 1.00 0.00 C ATOM 642 O GLY A 400 0.159 22.365 -4.760 1.00 0.00 O ATOM 0 H GLY A 400 2.826 19.557 -4.144 1.00 0.00 H new ATOM 0 HA2 GLY A 400 2.585 21.956 -3.609 1.00 0.00 H new ATOM 0 HA3 GLY A 400 2.817 22.291 -5.314 1.00 0.00 H new ATOM 646 N ASP A 401 0.505 20.166 -5.152 1.00 0.00 N ATOM 647 CA ASP A 401 -0.917 19.864 -5.373 1.00 0.00 C ATOM 648 C ASP A 401 -1.550 19.373 -4.063 1.00 0.00 C ATOM 649 O ASP A 401 -0.879 18.734 -3.249 1.00 0.00 O ATOM 650 CB ASP A 401 -1.077 18.812 -6.471 1.00 0.00 C ATOM 651 CG ASP A 401 -2.533 18.454 -6.761 1.00 0.00 C ATOM 652 OD1 ASP A 401 -3.203 19.208 -7.492 1.00 0.00 O ATOM 653 OD2 ASP A 401 -3.013 17.427 -6.244 1.00 0.00 O ATOM 0 H ASP A 401 1.124 19.362 -5.253 1.00 0.00 H new ATOM 0 HA ASP A 401 -1.426 20.772 -5.696 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -0.612 19.179 -7.386 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -0.540 17.909 -6.180 1.00 0.00 H new ATOM 658 N SER A 402 -2.832 19.654 -3.893 1.00 0.00 N ATOM 659 CA SER A 402 -3.553 19.335 -2.657 1.00 0.00 C ATOM 660 C SER A 402 -3.601 17.814 -2.399 1.00 0.00 C ATOM 661 O SER A 402 -3.780 17.392 -1.250 1.00 0.00 O ATOM 662 CB SER A 402 -4.977 19.910 -2.724 1.00 0.00 C ATOM 663 OG SER A 402 -4.945 21.303 -2.963 1.00 0.00 O ATOM 0 H SER A 402 -3.407 20.109 -4.602 1.00 0.00 H new ATOM 0 HA SER A 402 -3.015 19.790 -1.825 1.00 0.00 H new ATOM 0 HB2 SER A 402 -5.538 19.413 -3.516 1.00 0.00 H new ATOM 0 HB3 SER A 402 -5.500 19.709 -1.789 1.00 0.00 H new ATOM 0 HG SER A 402 -5.861 21.649 -3.004 1.00 0.00 H new ATOM 669 N ASP A 403 -3.403 16.992 -3.437 1.00 0.00 N ATOM 670 CA ASP A 403 -3.487 15.544 -3.316 1.00 0.00 C ATOM 671 C ASP A 403 -2.114 14.883 -3.248 1.00 0.00 C ATOM 672 O ASP A 403 -2.008 13.663 -3.090 1.00 0.00 O ATOM 673 CB ASP A 403 -4.285 14.934 -4.484 1.00 0.00 C ATOM 674 CG ASP A 403 -5.775 14.961 -4.264 1.00 0.00 C ATOM 675 OD1 ASP A 403 -6.435 15.965 -4.602 1.00 0.00 O ATOM 676 OD2 ASP A 403 -6.303 13.959 -3.730 1.00 0.00 O ATOM 0 H ASP A 403 -3.181 17.317 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 403 -4.005 15.349 -2.377 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -4.050 15.477 -5.399 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -3.965 13.903 -4.634 1.00 0.00 H new ATOM 681 N TYR A 404 -1.063 15.680 -3.368 1.00 0.00 N ATOM 682 CA TYR A 404 0.278 15.136 -3.481 1.00 0.00 C ATOM 683 C TYR A 404 0.818 14.701 -2.127 1.00 0.00 C ATOM 684 O TYR A 404 0.879 15.500 -1.181 1.00 0.00 O ATOM 685 CB TYR A 404 1.218 16.169 -4.109 1.00 0.00 C ATOM 686 CG TYR A 404 2.567 15.592 -4.475 1.00 0.00 C ATOM 687 CD1 TYR A 404 2.691 14.689 -5.505 1.00 0.00 C ATOM 688 CD2 TYR A 404 3.721 15.964 -3.780 1.00 0.00 C ATOM 689 CE1 TYR A 404 3.903 14.166 -5.868 1.00 0.00 C ATOM 690 CE2 TYR A 404 4.940 15.424 -4.135 1.00 0.00 C ATOM 691 CZ TYR A 404 5.044 14.534 -5.171 1.00 0.00 C ATOM 692 OH TYR A 404 6.255 14.018 -5.535 1.00 0.00 O ATOM 0 H TYR A 404 -1.114 16.699 -3.389 1.00 0.00 H new ATOM 0 HA TYR A 404 0.226 14.257 -4.123 1.00 0.00 H new ATOM 0 HB2 TYR A 404 0.751 16.582 -5.003 1.00 0.00 H new ATOM 0 HB3 TYR A 404 1.359 16.995 -3.412 1.00 0.00 H new ATOM 0 HD1 TYR A 404 1.806 14.383 -6.043 1.00 0.00 H new ATOM 0 HD2 TYR A 404 3.659 16.672 -2.967 1.00 0.00 H new ATOM 0 HE1 TYR A 404 3.970 13.471 -6.692 1.00 0.00 H new ATOM 0 HE2 TYR A 404 5.826 15.708 -3.587 1.00 0.00 H new ATOM 0 HH TYR A 404 6.953 14.377 -4.948 1.00 0.00 H new ATOM 849 N ASP A 416 13.940 -1.756 -4.645 1.00 0.00 N ATOM 850 CA ASP A 416 13.088 -2.918 -4.367 1.00 0.00 C ATOM 851 C ASP A 416 12.473 -2.835 -2.968 1.00 0.00 C ATOM 852 O ASP A 416 11.580 -3.606 -2.623 1.00 0.00 O ATOM 853 CB ASP A 416 13.914 -4.204 -4.505 1.00 0.00 C ATOM 854 CG ASP A 416 13.042 -5.431 -4.734 1.00 0.00 C ATOM 855 OD1 ASP A 416 12.408 -5.508 -5.802 1.00 0.00 O ATOM 856 OD2 ASP A 416 12.997 -6.309 -3.860 1.00 0.00 O ATOM 0 HA ASP A 416 12.272 -2.927 -5.089 1.00 0.00 H new ATOM 0 HB2 ASP A 416 14.612 -4.097 -5.335 1.00 0.00 H new ATOM 0 HB3 ASP A 416 14.510 -4.348 -3.604 1.00 0.00 H new ATOM 861 N ASP A 417 12.987 -1.898 -2.171 1.00 0.00 N ATOM 862 CA ASP A 417 12.437 -1.580 -0.843 1.00 0.00 C ATOM 863 C ASP A 417 12.920 -2.584 0.202 1.00 0.00 C ATOM 864 O ASP A 417 12.119 -3.337 0.783 1.00 0.00 O ATOM 865 CB ASP A 417 10.903 -1.451 -0.870 1.00 0.00 C ATOM 866 CG ASP A 417 10.309 -1.083 0.483 1.00 0.00 C ATOM 867 OD1 ASP A 417 10.638 -0.002 1.023 1.00 0.00 O ATOM 868 OD2 ASP A 417 9.469 -1.856 0.998 1.00 0.00 O ATOM 0 H ASP A 417 13.798 -1.334 -2.424 1.00 0.00 H new ATOM 0 HA ASP A 417 12.817 -0.601 -0.551 1.00 0.00 H new ATOM 0 HB2 ASP A 417 10.621 -0.694 -1.602 1.00 0.00 H new ATOM 0 HB3 ASP A 417 10.471 -2.394 -1.205 1.00 0.00 H new ATOM 873 N ARG A 418 14.236 -2.595 0.414 1.00 0.00 N ATOM 874 CA ARG A 418 14.896 -3.439 1.405 1.00 0.00 C ATOM 875 C ARG A 418 16.400 -3.161 1.373 1.00 0.00 C ATOM 876 O ARG A 418 16.923 -2.718 0.328 1.00 0.00 O ATOM 877 CB ARG A 418 14.637 -4.919 1.100 1.00 0.00 C ATOM 878 CG ARG A 418 14.836 -5.285 -0.363 1.00 0.00 C ATOM 879 CD ARG A 418 14.643 -6.748 -0.616 1.00 0.00 C ATOM 880 NE ARG A 418 14.869 -7.052 -2.037 1.00 0.00 N ATOM 881 CZ ARG A 418 15.517 -8.129 -2.478 1.00 0.00 C ATOM 882 NH1 ARG A 418 15.861 -9.078 -1.632 1.00 0.00 N ATOM 883 NH2 ARG A 418 15.788 -8.259 -3.766 1.00 0.00 N ATOM 0 H ARG A 418 14.884 -2.006 -0.109 1.00 0.00 H new ATOM 0 HA ARG A 418 14.498 -3.213 2.394 1.00 0.00 H new ATOM 0 HB2 ARG A 418 15.302 -5.529 1.712 1.00 0.00 H new ATOM 0 HB3 ARG A 418 13.617 -5.168 1.392 1.00 0.00 H new ATOM 0 HG2 ARG A 418 14.135 -4.717 -0.975 1.00 0.00 H new ATOM 0 HG3 ARG A 418 15.839 -4.994 -0.674 1.00 0.00 H new ATOM 0 HD2 ARG A 418 15.332 -7.325 0.001 1.00 0.00 H new ATOM 0 HD3 ARG A 418 13.634 -7.044 -0.329 1.00 0.00 H new ATOM 0 HE ARG A 418 14.506 -6.396 -2.729 1.00 0.00 H new ATOM 0 HH11 ARG A 418 15.631 -8.987 -0.642 1.00 0.00 H new ATOM 0 HH12 ARG A 418 16.357 -9.904 -1.966 1.00 0.00 H new ATOM 0 HH21 ARG A 418 15.501 -7.534 -4.423 1.00 0.00 H new ATOM 0 HH22 ARG A 418 16.284 -9.084 -4.102 1.00 0.00 H new ATOM 897 N PRO A 419 17.121 -3.383 2.481 1.00 0.00 N ATOM 898 CA PRO A 419 18.570 -3.150 2.546 1.00 0.00 C ATOM 899 C PRO A 419 19.321 -4.096 1.619 1.00 0.00 C ATOM 900 O PRO A 419 18.842 -5.186 1.308 1.00 0.00 O ATOM 901 CB PRO A 419 18.938 -3.414 4.017 1.00 0.00 C ATOM 902 CG PRO A 419 17.828 -4.273 4.536 1.00 0.00 C ATOM 903 CD PRO A 419 16.592 -3.896 3.764 1.00 0.00 C ATOM 0 HA PRO A 419 18.839 -2.143 2.226 1.00 0.00 H new ATOM 0 HB2 PRO A 419 19.901 -3.918 4.100 1.00 0.00 H new ATOM 0 HB3 PRO A 419 19.015 -2.483 4.579 1.00 0.00 H new ATOM 0 HG2 PRO A 419 18.061 -5.329 4.402 1.00 0.00 H new ATOM 0 HG3 PRO A 419 17.681 -4.112 5.604 1.00 0.00 H new ATOM 0 HD2 PRO A 419 15.938 -4.754 3.612 1.00 0.00 H new ATOM 0 HD3 PRO A 419 16.008 -3.139 4.288 1.00 0.00 H new ATOM 911 N GLU A 420 20.495 -3.668 1.177 1.00 0.00 N ATOM 912 CA GLU A 420 21.341 -4.510 0.344 1.00 0.00 C ATOM 913 C GLU A 420 21.979 -5.591 1.224 1.00 0.00 C ATOM 914 O GLU A 420 22.018 -5.482 2.443 1.00 0.00 O ATOM 915 CB GLU A 420 22.429 -3.691 -0.353 1.00 0.00 C ATOM 916 CG GLU A 420 21.885 -2.710 -1.380 1.00 0.00 C ATOM 917 CD GLU A 420 23.013 -2.004 -2.128 1.00 0.00 C ATOM 918 OE1 GLU A 420 23.548 -1.009 -1.588 1.00 0.00 O ATOM 919 OE2 GLU A 420 23.392 -2.456 -3.227 1.00 0.00 O ATOM 0 H GLU A 420 20.882 -2.746 1.380 1.00 0.00 H new ATOM 0 HA GLU A 420 20.728 -4.969 -0.432 1.00 0.00 H new ATOM 0 HB2 GLU A 420 22.996 -3.141 0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 420 23.126 -4.370 -0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 420 21.251 -3.240 -2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 420 21.258 -1.970 -0.882 1.00 0.00 H new ATOM 926 N CYS A 421 22.450 -6.651 0.582 1.00 0.00 N ATOM 927 CA CYS A 421 23.080 -7.751 1.294 1.00 0.00 C ATOM 928 C CYS A 421 24.283 -7.254 2.087 1.00 0.00 C ATOM 929 O CYS A 421 25.091 -6.473 1.563 1.00 0.00 O ATOM 930 CB CYS A 421 23.503 -8.829 0.288 1.00 0.00 C ATOM 931 SG CYS A 421 23.997 -10.424 1.026 1.00 0.00 S ATOM 0 H CYS A 421 22.407 -6.771 -0.430 1.00 0.00 H new ATOM 0 HA CYS A 421 22.368 -8.179 1.999 1.00 0.00 H new ATOM 0 HB2 CYS A 421 22.677 -9.005 -0.401 1.00 0.00 H new ATOM 0 HB3 CYS A 421 24.335 -8.446 -0.303 1.00 0.00 H new ATOM 0 HG CYS A 421 23.987 -11.347 0.111 1.00 0.00 H new ATOM 936 N PRO A 422 24.420 -7.672 3.363 1.00 0.00 N ATOM 937 CA PRO A 422 25.525 -7.225 4.216 1.00 0.00 C ATOM 938 C PRO A 422 26.886 -7.695 3.693 1.00 0.00 C ATOM 939 O PRO A 422 27.922 -7.123 4.035 1.00 0.00 O ATOM 940 CB PRO A 422 25.216 -7.869 5.580 1.00 0.00 C ATOM 941 CG PRO A 422 24.325 -9.035 5.267 1.00 0.00 C ATOM 942 CD PRO A 422 23.526 -8.613 4.059 1.00 0.00 C ATOM 0 HA PRO A 422 25.595 -6.138 4.256 1.00 0.00 H new ATOM 0 HB2 PRO A 422 26.129 -8.193 6.079 1.00 0.00 H new ATOM 0 HB3 PRO A 422 24.722 -7.163 6.247 1.00 0.00 H new ATOM 0 HG2 PRO A 422 24.909 -9.931 5.059 1.00 0.00 H new ATOM 0 HG3 PRO A 422 23.672 -9.268 6.108 1.00 0.00 H new ATOM 0 HD2 PRO A 422 23.272 -9.465 3.429 1.00 0.00 H new ATOM 0 HD3 PRO A 422 22.588 -8.137 4.345 1.00 0.00 H new ATOM 950 N TYR A 423 26.869 -8.719 2.849 1.00 0.00 N ATOM 951 CA TYR A 423 28.075 -9.253 2.246 1.00 0.00 C ATOM 952 C TYR A 423 28.315 -8.603 0.881 1.00 0.00 C ATOM 953 O TYR A 423 29.340 -8.836 0.237 1.00 0.00 O ATOM 954 CB TYR A 423 27.972 -10.769 2.058 1.00 0.00 C ATOM 955 CG TYR A 423 27.453 -11.527 3.269 1.00 0.00 C ATOM 956 CD1 TYR A 423 26.089 -11.732 3.463 1.00 0.00 C ATOM 957 CD2 TYR A 423 28.331 -12.070 4.207 1.00 0.00 C ATOM 958 CE1 TYR A 423 25.616 -12.448 4.547 1.00 0.00 C ATOM 959 CE2 TYR A 423 27.866 -12.774 5.292 1.00 0.00 C ATOM 960 CZ TYR A 423 26.513 -12.966 5.461 1.00 0.00 C ATOM 961 OH TYR A 423 26.050 -13.686 6.551 1.00 0.00 O ATOM 0 H TYR A 423 26.016 -9.200 2.566 1.00 0.00 H new ATOM 0 HA TYR A 423 28.906 -9.032 2.916 1.00 0.00 H new ATOM 0 HB2 TYR A 423 27.317 -10.972 1.211 1.00 0.00 H new ATOM 0 HB3 TYR A 423 28.957 -11.157 1.799 1.00 0.00 H new ATOM 0 HD1 TYR A 423 25.386 -11.323 2.752 1.00 0.00 H new ATOM 0 HD2 TYR A 423 29.395 -11.935 4.078 1.00 0.00 H new ATOM 0 HE1 TYR A 423 24.555 -12.601 4.678 1.00 0.00 H new ATOM 0 HE2 TYR A 423 28.562 -13.177 6.013 1.00 0.00 H new ATOM 0 HH TYR A 423 26.810 -13.981 7.095 1.00 0.00 H new ATOM 971 N GLY A 424 27.356 -7.787 0.452 1.00 0.00 N ATOM 972 CA GLY A 424 27.380 -7.212 -0.888 1.00 0.00 C ATOM 973 C GLY A 424 26.999 -8.247 -1.941 1.00 0.00 C ATOM 974 O GLY A 424 26.428 -9.288 -1.613 1.00 0.00 O ATOM 0 H GLY A 424 26.552 -7.509 1.015 1.00 0.00 H new ATOM 0 HA2 GLY A 424 26.690 -6.369 -0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 424 28.375 -6.822 -1.101 1.00 0.00 H new ATOM 978 N PRO A 425 27.313 -7.993 -3.229 1.00 0.00 N ATOM 979 CA PRO A 425 27.015 -8.942 -4.315 1.00 0.00 C ATOM 980 C PRO A 425 27.943 -10.162 -4.281 1.00 0.00 C ATOM 981 O PRO A 425 27.691 -11.163 -4.961 1.00 0.00 O ATOM 982 CB PRO A 425 27.240 -8.109 -5.583 1.00 0.00 C ATOM 983 CG PRO A 425 28.261 -7.099 -5.176 1.00 0.00 C ATOM 984 CD PRO A 425 27.975 -6.773 -3.729 1.00 0.00 C ATOM 0 HA PRO A 425 26.009 -9.355 -4.244 1.00 0.00 H new ATOM 0 HB2 PRO A 425 27.596 -8.726 -6.408 1.00 0.00 H new ATOM 0 HB3 PRO A 425 26.318 -7.632 -5.916 1.00 0.00 H new ATOM 0 HG2 PRO A 425 29.270 -7.495 -5.294 1.00 0.00 H new ATOM 0 HG3 PRO A 425 28.195 -6.206 -5.797 1.00 0.00 H new ATOM 0 HD2 PRO A 425 28.890 -6.557 -3.177 1.00 0.00 H new ATOM 0 HD3 PRO A 425 27.331 -5.899 -3.634 1.00 0.00 H new ATOM 992 N SER A 426 29.014 -10.081 -3.481 1.00 0.00 N ATOM 993 CA SER A 426 29.934 -11.206 -3.297 1.00 0.00 C ATOM 994 C SER A 426 29.292 -12.278 -2.424 1.00 0.00 C ATOM 995 O SER A 426 29.810 -13.393 -2.300 1.00 0.00 O ATOM 996 CB SER A 426 31.236 -10.690 -2.668 1.00 0.00 C ATOM 997 OG SER A 426 31.832 -9.696 -3.490 1.00 0.00 O ATOM 0 H SER A 426 29.263 -9.246 -2.951 1.00 0.00 H new ATOM 0 HA SER A 426 30.161 -11.658 -4.263 1.00 0.00 H new ATOM 0 HB2 SER A 426 31.030 -10.277 -1.681 1.00 0.00 H new ATOM 0 HB3 SER A 426 31.931 -11.518 -2.528 1.00 0.00 H new ATOM 0 HG SER A 426 32.659 -9.378 -3.072 1.00 0.00 H new ATOM 1003 N CYS A 427 28.142 -11.923 -1.855 1.00 0.00 N ATOM 1004 CA CYS A 427 27.369 -12.826 -1.024 1.00 0.00 C ATOM 1005 C CYS A 427 27.142 -14.167 -1.734 1.00 0.00 C ATOM 1006 O CYS A 427 26.528 -14.210 -2.804 1.00 0.00 O ATOM 1007 CB CYS A 427 26.023 -12.174 -0.688 1.00 0.00 C ATOM 1008 SG CYS A 427 24.931 -13.138 0.395 1.00 0.00 S ATOM 0 H CYS A 427 27.724 -10.998 -1.961 1.00 0.00 H new ATOM 0 HA CYS A 427 27.923 -13.022 -0.106 1.00 0.00 H new ATOM 0 HB2 CYS A 427 26.215 -11.211 -0.216 1.00 0.00 H new ATOM 0 HB3 CYS A 427 25.495 -11.973 -1.620 1.00 0.00 H new ATOM 0 HG CYS A 427 24.237 -12.331 1.141 1.00 0.00 H new ATOM 1013 N TYR A 428 27.651 -15.235 -1.155 1.00 0.00 N ATOM 1014 CA TYR A 428 27.440 -16.584 -1.674 1.00 0.00 C ATOM 1015 C TYR A 428 26.456 -17.332 -0.798 1.00 0.00 C ATOM 1016 O TYR A 428 26.233 -18.541 -0.945 1.00 0.00 O ATOM 1017 CB TYR A 428 28.779 -17.347 -1.795 1.00 0.00 C ATOM 1018 CG TYR A 428 29.741 -17.115 -0.642 1.00 0.00 C ATOM 1019 CD1 TYR A 428 29.655 -17.845 0.524 1.00 0.00 C ATOM 1020 CD2 TYR A 428 30.736 -16.140 -0.731 1.00 0.00 C ATOM 1021 CE1 TYR A 428 30.515 -17.620 1.575 1.00 0.00 C ATOM 1022 CE2 TYR A 428 31.613 -15.909 0.311 1.00 0.00 C ATOM 1023 CZ TYR A 428 31.497 -16.656 1.462 1.00 0.00 C ATOM 1024 OH TYR A 428 32.347 -16.435 2.519 1.00 0.00 O ATOM 0 H TYR A 428 28.223 -15.200 -0.311 1.00 0.00 H new ATOM 0 HA TYR A 428 27.017 -16.509 -2.676 1.00 0.00 H new ATOM 0 HB2 TYR A 428 28.570 -18.414 -1.868 1.00 0.00 H new ATOM 0 HB3 TYR A 428 29.267 -17.054 -2.724 1.00 0.00 H new ATOM 0 HD1 TYR A 428 28.897 -18.609 0.615 1.00 0.00 H new ATOM 0 HD2 TYR A 428 30.822 -15.554 -1.634 1.00 0.00 H new ATOM 0 HE1 TYR A 428 30.422 -18.195 2.484 1.00 0.00 H new ATOM 0 HE2 TYR A 428 32.379 -15.153 0.224 1.00 0.00 H new ATOM 0 HH TYR A 428 32.983 -15.727 2.285 1.00 0.00 H new ATOM 1034 N ARG A 429 25.861 -16.609 0.136 1.00 0.00 N ATOM 1035 CA ARG A 429 24.811 -17.151 0.991 1.00 0.00 C ATOM 1036 C ARG A 429 23.590 -17.456 0.127 1.00 0.00 C ATOM 1037 O ARG A 429 22.916 -16.548 -0.388 1.00 0.00 O ATOM 1038 CB ARG A 429 24.428 -16.154 2.108 1.00 0.00 C ATOM 1039 CG ARG A 429 25.615 -15.616 2.899 1.00 0.00 C ATOM 1040 CD ARG A 429 26.385 -16.731 3.625 1.00 0.00 C ATOM 1041 NE ARG A 429 25.591 -17.362 4.671 1.00 0.00 N ATOM 1042 CZ ARG A 429 25.993 -18.436 5.360 1.00 0.00 C ATOM 1043 NH1 ARG A 429 27.178 -18.993 5.097 1.00 0.00 N ATOM 1044 NH2 ARG A 429 25.232 -18.942 6.311 1.00 0.00 N ATOM 0 H ARG A 429 26.089 -15.633 0.325 1.00 0.00 H new ATOM 0 HA ARG A 429 25.176 -18.060 1.469 1.00 0.00 H new ATOM 0 HB2 ARG A 429 23.892 -15.316 1.663 1.00 0.00 H new ATOM 0 HB3 ARG A 429 23.739 -16.644 2.796 1.00 0.00 H new ATOM 0 HG2 ARG A 429 26.291 -15.091 2.224 1.00 0.00 H new ATOM 0 HG3 ARG A 429 25.262 -14.887 3.628 1.00 0.00 H new ATOM 0 HD2 ARG A 429 26.694 -17.486 2.902 1.00 0.00 H new ATOM 0 HD3 ARG A 429 27.294 -16.317 4.062 1.00 0.00 H new ATOM 0 HE ARG A 429 24.678 -16.963 4.890 1.00 0.00 H new ATOM 0 HH11 ARG A 429 27.777 -18.600 4.371 1.00 0.00 H new ATOM 0 HH12 ARG A 429 27.484 -19.812 5.622 1.00 0.00 H new ATOM 0 HH21 ARG A 429 24.331 -18.514 6.525 1.00 0.00 H new ATOM 0 HH22 ARG A 429 25.544 -19.761 6.833 1.00 0.00 H new ATOM 1058 N LYS A 430 23.308 -18.733 -0.061 1.00 0.00 N ATOM 1059 CA LYS A 430 22.268 -19.168 -1.017 1.00 0.00 C ATOM 1060 C LYS A 430 20.952 -19.522 -0.321 1.00 0.00 C ATOM 1061 O LYS A 430 20.112 -20.218 -0.909 1.00 0.00 O ATOM 1062 CB LYS A 430 22.778 -20.362 -1.856 1.00 0.00 C ATOM 1063 CG LYS A 430 23.918 -20.007 -2.811 1.00 0.00 C ATOM 1064 CD LYS A 430 24.417 -21.216 -3.600 1.00 0.00 C ATOM 1065 CE LYS A 430 25.252 -22.172 -2.762 1.00 0.00 C ATOM 1066 NZ LYS A 430 24.455 -22.881 -1.717 1.00 0.00 N ATOM 0 H LYS A 430 23.776 -19.496 0.428 1.00 0.00 H new ATOM 0 HA LYS A 430 22.062 -18.327 -1.679 1.00 0.00 H new ATOM 0 HB2 LYS A 430 23.114 -21.150 -1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 430 21.948 -20.769 -2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 430 23.580 -19.238 -3.506 1.00 0.00 H new ATOM 0 HG3 LYS A 430 24.745 -19.582 -2.242 1.00 0.00 H new ATOM 0 HD2 LYS A 430 23.562 -21.753 -4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 430 25.011 -20.870 -4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 430 25.718 -22.908 -3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 430 26.058 -21.617 -2.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 24.822 -23.847 -1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 24.529 -22.367 -0.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 23.458 -22.924 -2.010 1.00 0.00 H new ATOM 1080 N ASN A 431 20.761 -19.056 0.901 1.00 0.00 N ATOM 1081 CA ASN A 431 19.477 -19.217 1.561 1.00 0.00 C ATOM 1082 C ASN A 431 18.432 -18.355 0.855 1.00 0.00 C ATOM 1083 O ASN A 431 18.636 -17.144 0.710 1.00 0.00 O ATOM 1084 CB ASN A 431 19.539 -18.832 3.033 1.00 0.00 C ATOM 1085 CG ASN A 431 18.249 -19.165 3.780 1.00 0.00 C ATOM 1086 OD1 ASN A 431 17.663 -20.215 3.583 1.00 0.00 O ATOM 1087 ND2 ASN A 431 17.771 -18.235 4.604 1.00 0.00 N ATOM 0 H ASN A 431 21.469 -18.569 1.451 1.00 0.00 H new ATOM 0 HA ASN A 431 19.204 -20.271 1.504 1.00 0.00 H new ATOM 0 HB2 ASN A 431 20.373 -19.351 3.506 1.00 0.00 H new ATOM 0 HB3 ASN A 431 19.739 -17.764 3.118 1.00 0.00 H new ATOM 0 HD21 ASN A 431 16.889 -18.391 5.092 1.00 0.00 H new ATOM 0 HD22 ASN A 431 18.287 -17.367 4.747 1.00 0.00 H new ATOM 1094 N PRO A 432 17.301 -18.941 0.422 1.00 0.00 N ATOM 1095 CA PRO A 432 16.273 -18.217 -0.311 1.00 0.00 C ATOM 1096 C PRO A 432 15.757 -17.014 0.475 1.00 0.00 C ATOM 1097 O PRO A 432 15.591 -15.928 -0.084 1.00 0.00 O ATOM 1098 CB PRO A 432 15.174 -19.260 -0.554 1.00 0.00 C ATOM 1099 CG PRO A 432 15.455 -20.374 0.411 1.00 0.00 C ATOM 1100 CD PRO A 432 16.946 -20.362 0.623 1.00 0.00 C ATOM 0 HA PRO A 432 16.650 -17.795 -1.243 1.00 0.00 H new ATOM 0 HB2 PRO A 432 14.185 -18.834 -0.384 1.00 0.00 H new ATOM 0 HB3 PRO A 432 15.194 -19.618 -1.583 1.00 0.00 H new ATOM 0 HG2 PRO A 432 14.925 -20.221 1.351 1.00 0.00 H new ATOM 0 HG3 PRO A 432 15.124 -21.332 0.010 1.00 0.00 H new ATOM 0 HD2 PRO A 432 17.214 -20.707 1.621 1.00 0.00 H new ATOM 0 HD3 PRO A 432 17.460 -21.010 -0.087 1.00 0.00 H new ATOM 1108 N GLN A 433 15.566 -17.204 1.782 1.00 0.00 N ATOM 1109 CA GLN A 433 15.015 -16.154 2.645 1.00 0.00 C ATOM 1110 C GLN A 433 15.988 -14.982 2.693 1.00 0.00 C ATOM 1111 O GLN A 433 15.572 -13.825 2.688 1.00 0.00 O ATOM 1112 CB GLN A 433 14.760 -16.717 4.059 1.00 0.00 C ATOM 1113 CG GLN A 433 14.142 -15.696 5.021 1.00 0.00 C ATOM 1114 CD GLN A 433 12.776 -15.206 4.564 1.00 0.00 C ATOM 1115 OE1 GLN A 433 11.738 -15.794 4.905 1.00 0.00 O ATOM 1116 NE2 GLN A 433 12.760 -14.124 3.812 1.00 0.00 N ATOM 0 H GLN A 433 15.784 -18.074 2.267 1.00 0.00 H new ATOM 0 HA GLN A 433 14.064 -15.805 2.242 1.00 0.00 H new ATOM 0 HB2 GLN A 433 14.099 -17.580 3.984 1.00 0.00 H new ATOM 0 HB3 GLN A 433 15.702 -17.073 4.475 1.00 0.00 H new ATOM 0 HG2 GLN A 433 14.050 -16.145 6.010 1.00 0.00 H new ATOM 0 HG3 GLN A 433 14.814 -14.844 5.120 1.00 0.00 H new ATOM 0 HE21 GLN A 433 13.636 -13.670 3.553 1.00 0.00 H new ATOM 0 HE22 GLN A 433 11.872 -13.741 3.489 1.00 0.00 H new ATOM 1125 N HIS A 434 17.270 -15.295 2.717 1.00 0.00 N ATOM 1126 CA HIS A 434 18.314 -14.268 2.735 1.00 0.00 C ATOM 1127 C HIS A 434 18.195 -13.379 1.503 1.00 0.00 C ATOM 1128 O HIS A 434 18.154 -12.151 1.610 1.00 0.00 O ATOM 1129 CB HIS A 434 19.695 -14.918 2.776 1.00 0.00 C ATOM 1130 CG HIS A 434 20.812 -14.014 2.326 1.00 0.00 C ATOM 1131 ND1 HIS A 434 21.205 -12.889 3.011 1.00 0.00 N ATOM 1132 CD2 HIS A 434 21.591 -14.071 1.221 1.00 0.00 C ATOM 1133 CE1 HIS A 434 22.185 -12.298 2.313 1.00 0.00 C ATOM 1134 NE2 HIS A 434 22.463 -12.981 1.213 1.00 0.00 N ATOM 0 H HIS A 434 17.622 -16.252 2.725 1.00 0.00 H new ATOM 0 HA HIS A 434 18.186 -13.656 3.628 1.00 0.00 H new ATOM 0 HB2 HIS A 434 19.898 -15.251 3.794 1.00 0.00 H new ATOM 0 HB3 HIS A 434 19.685 -15.807 2.146 1.00 0.00 H new ATOM 0 HD2 HIS A 434 21.545 -14.840 0.464 1.00 0.00 H new ATOM 0 HE1 HIS A 434 22.682 -11.386 2.609 1.00 0.00 H new ATOM 0 HE2 HIS A 434 23.166 -12.758 0.509 1.00 0.00 H new ATOM 1142 N LYS A 435 18.164 -14.027 0.362 1.00 0.00 N ATOM 1143 CA LYS A 435 18.019 -13.364 -0.926 1.00 0.00 C ATOM 1144 C LYS A 435 16.744 -12.521 -1.005 1.00 0.00 C ATOM 1145 O LYS A 435 16.697 -11.502 -1.669 1.00 0.00 O ATOM 1146 CB LYS A 435 18.021 -14.402 -2.048 1.00 0.00 C ATOM 1147 CG LYS A 435 19.291 -15.247 -2.070 1.00 0.00 C ATOM 1148 CD LYS A 435 19.120 -16.491 -2.924 1.00 0.00 C ATOM 1149 CE LYS A 435 18.696 -16.138 -4.337 1.00 0.00 C ATOM 1150 NZ LYS A 435 18.436 -17.354 -5.155 1.00 0.00 N ATOM 0 H LYS A 435 18.239 -15.042 0.294 1.00 0.00 H new ATOM 0 HA LYS A 435 18.867 -12.688 -1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 435 17.157 -15.056 -1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 435 17.911 -13.894 -3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 435 20.118 -14.651 -2.455 1.00 0.00 H new ATOM 0 HG3 LYS A 435 19.554 -15.537 -1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 435 20.057 -17.047 -2.952 1.00 0.00 H new ATOM 0 HD3 LYS A 435 18.375 -17.145 -2.472 1.00 0.00 H new ATOM 0 HE2 LYS A 435 17.797 -15.523 -4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 435 19.474 -15.540 -4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 18.149 -17.072 -6.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 19.301 -17.929 -5.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 17.676 -17.912 -4.716 1.00 0.00 H new ATOM 1164 N ILE A 436 15.728 -12.989 -0.280 1.00 0.00 N ATOM 1165 CA ILE A 436 14.450 -12.293 -0.217 1.00 0.00 C ATOM 1166 C ILE A 436 14.563 -11.003 0.583 1.00 0.00 C ATOM 1167 O ILE A 436 14.074 -9.949 0.154 1.00 0.00 O ATOM 1168 CB ILE A 436 13.365 -13.222 0.411 1.00 0.00 C ATOM 1169 CG1 ILE A 436 13.029 -14.389 -0.535 1.00 0.00 C ATOM 1170 CG2 ILE A 436 12.116 -12.433 0.798 1.00 0.00 C ATOM 1171 CD1 ILE A 436 12.018 -15.357 0.029 1.00 0.00 C ATOM 0 H ILE A 436 15.768 -13.847 0.270 1.00 0.00 H new ATOM 0 HA ILE A 436 14.155 -12.034 -1.234 1.00 0.00 H new ATOM 0 HB ILE A 436 13.774 -13.647 1.328 1.00 0.00 H new ATOM 0 HG12 ILE A 436 12.648 -13.986 -1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 436 13.946 -14.930 -0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 436 11.379 -13.108 1.233 1.00 0.00 H new ATOM 0 HG22 ILE A 436 12.381 -11.667 1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 436 11.695 -11.959 -0.089 1.00 0.00 H new ATOM 0 HD11 ILE A 436 11.832 -16.151 -0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 436 12.404 -15.789 0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 436 11.087 -14.830 0.237 1.00 0.00 H new ATOM 1183 N GLU A 437 15.271 -11.051 1.715 1.00 0.00 N ATOM 1184 CA GLU A 437 15.375 -9.908 2.605 1.00 0.00 C ATOM 1185 C GLU A 437 16.332 -8.843 2.075 1.00 0.00 C ATOM 1186 O GLU A 437 16.077 -7.647 2.212 1.00 0.00 O ATOM 1187 CB GLU A 437 15.856 -10.358 3.997 1.00 0.00 C ATOM 1188 CG GLU A 437 15.032 -11.495 4.591 1.00 0.00 C ATOM 1189 CD GLU A 437 13.593 -11.106 4.879 1.00 0.00 C ATOM 1190 OE1 GLU A 437 12.743 -11.183 3.959 1.00 0.00 O ATOM 1191 OE2 GLU A 437 13.284 -10.746 6.049 1.00 0.00 O ATOM 0 H GLU A 437 15.780 -11.876 2.031 1.00 0.00 H new ATOM 0 HA GLU A 437 14.379 -9.470 2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 437 16.897 -10.673 3.928 1.00 0.00 H new ATOM 0 HB3 GLU A 437 15.825 -9.506 4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 437 15.042 -12.340 3.903 1.00 0.00 H new ATOM 0 HG3 GLU A 437 15.502 -11.831 5.515 1.00 0.00 H new ATOM 1198 N TYR A 438 17.436 -9.268 1.465 1.00 0.00 N ATOM 1199 CA TYR A 438 18.511 -8.343 1.083 1.00 0.00 C ATOM 1200 C TYR A 438 18.700 -8.239 -0.434 1.00 0.00 C ATOM 1201 O TYR A 438 18.457 -9.214 -1.163 1.00 0.00 O ATOM 1202 CB TYR A 438 19.823 -8.790 1.742 1.00 0.00 C ATOM 1203 CG TYR A 438 19.765 -8.897 3.242 1.00 0.00 C ATOM 1204 CD1 TYR A 438 19.940 -7.772 4.045 1.00 0.00 C ATOM 1205 CD2 TYR A 438 19.563 -10.112 3.862 1.00 0.00 C ATOM 1206 CE1 TYR A 438 19.901 -7.870 5.423 1.00 0.00 C ATOM 1207 CE2 TYR A 438 19.528 -10.222 5.251 1.00 0.00 C ATOM 1208 CZ TYR A 438 19.696 -9.089 6.020 1.00 0.00 C ATOM 1209 OH TYR A 438 19.671 -9.183 7.396 1.00 0.00 O ATOM 0 H TYR A 438 17.614 -10.243 1.223 1.00 0.00 H new ATOM 0 HA TYR A 438 18.225 -7.351 1.432 1.00 0.00 H new ATOM 0 HB2 TYR A 438 20.109 -9.759 1.332 1.00 0.00 H new ATOM 0 HB3 TYR A 438 20.609 -8.085 1.471 1.00 0.00 H new ATOM 0 HD1 TYR A 438 20.108 -6.810 3.584 1.00 0.00 H new ATOM 0 HD2 TYR A 438 19.429 -10.997 3.258 1.00 0.00 H new ATOM 0 HE1 TYR A 438 20.032 -6.987 6.031 1.00 0.00 H new ATOM 0 HE2 TYR A 438 19.371 -11.182 5.720 1.00 0.00 H new ATOM 0 HH TYR A 438 19.515 -10.114 7.657 1.00 0.00 H new ATOM 1219 N ARG A 439 19.160 -7.075 -0.873 1.00 0.00 N ATOM 1220 CA ARG A 439 19.395 -6.809 -2.298 1.00 0.00 C ATOM 1221 C ARG A 439 20.852 -7.067 -2.663 1.00 0.00 C ATOM 1222 O ARG A 439 21.756 -6.478 -2.075 1.00 0.00 O ATOM 1223 CB ARG A 439 19.054 -5.346 -2.632 1.00 0.00 C ATOM 1224 CG ARG A 439 17.671 -4.935 -2.153 1.00 0.00 C ATOM 1225 CD ARG A 439 17.259 -3.559 -2.663 1.00 0.00 C ATOM 1226 NE ARG A 439 18.155 -2.492 -2.211 1.00 0.00 N ATOM 1227 CZ ARG A 439 18.724 -1.572 -3.008 1.00 0.00 C ATOM 1228 NH1 ARG A 439 18.505 -1.613 -4.335 1.00 0.00 N ATOM 1229 NH2 ARG A 439 19.481 -0.630 -2.494 1.00 0.00 N ATOM 0 H ARG A 439 19.381 -6.289 -0.261 1.00 0.00 H new ATOM 0 HA ARG A 439 18.754 -7.479 -2.871 1.00 0.00 H new ATOM 0 HB2 ARG A 439 19.799 -4.692 -2.178 1.00 0.00 H new ATOM 0 HB3 ARG A 439 19.117 -5.201 -3.710 1.00 0.00 H new ATOM 0 HG2 ARG A 439 16.941 -5.674 -2.484 1.00 0.00 H new ATOM 0 HG3 ARG A 439 17.653 -4.935 -1.063 1.00 0.00 H new ATOM 0 HD2 ARG A 439 17.239 -3.572 -3.753 1.00 0.00 H new ATOM 0 HD3 ARG A 439 16.245 -3.341 -2.328 1.00 0.00 H new ATOM 0 HE ARG A 439 18.363 -2.444 -1.214 1.00 0.00 H new ATOM 0 HH11 ARG A 439 17.909 -2.340 -4.731 1.00 0.00 H new ATOM 0 HH12 ARG A 439 18.934 -0.917 -4.945 1.00 0.00 H new ATOM 0 HH21 ARG A 439 19.639 -0.595 -1.487 1.00 0.00 H new ATOM 0 HH22 ARG A 439 19.911 0.067 -3.102 1.00 0.00 H new ATOM 1243 N HIS A 440 21.085 -7.932 -3.633 1.00 0.00 N ATOM 1244 CA HIS A 440 22.432 -8.226 -4.102 1.00 0.00 C ATOM 1245 C HIS A 440 22.718 -7.444 -5.378 1.00 0.00 C ATOM 1246 O HIS A 440 22.491 -7.948 -6.487 1.00 0.00 O ATOM 1247 CB HIS A 440 22.605 -9.742 -4.323 1.00 0.00 C ATOM 1248 CG HIS A 440 22.366 -10.524 -3.071 1.00 0.00 C ATOM 1249 ND1 HIS A 440 21.121 -10.886 -2.611 1.00 0.00 N ATOM 1250 CD2 HIS A 440 23.250 -11.007 -2.163 1.00 0.00 C ATOM 1251 CE1 HIS A 440 21.287 -11.551 -1.455 1.00 0.00 C ATOM 1252 NE2 HIS A 440 22.563 -11.657 -1.133 1.00 0.00 N ATOM 0 H HIS A 440 20.352 -8.450 -4.118 1.00 0.00 H new ATOM 0 HA HIS A 440 23.152 -7.917 -3.344 1.00 0.00 H new ATOM 0 HB2 HIS A 440 21.913 -10.076 -5.096 1.00 0.00 H new ATOM 0 HB3 HIS A 440 23.612 -9.942 -4.688 1.00 0.00 H new ATOM 0 HD1 HIS A 440 20.231 -10.685 -3.066 1.00 0.00 H new ATOM 0 HD2 HIS A 440 24.323 -10.905 -2.226 1.00 0.00 H new ATOM 0 HE1 HIS A 440 20.477 -11.949 -0.863 1.00 0.00 H new ATOM 1260 N ASN A 441 23.172 -6.201 -5.219 1.00 0.00 N ATOM 1261 CA ASN A 441 23.424 -5.313 -6.348 1.00 0.00 C ATOM 1262 C ASN A 441 24.922 -5.151 -6.547 1.00 0.00 C ATOM 1263 O ASN A 441 25.689 -5.239 -5.593 1.00 0.00 O ATOM 1264 CB ASN A 441 22.781 -3.936 -6.090 1.00 0.00 C ATOM 1265 CG ASN A 441 21.282 -4.007 -5.858 1.00 0.00 C ATOM 1266 OD1 ASN A 441 20.760 -3.094 -5.043 1.00 0.00 O flip ATOM 1267 ND2 ASN A 441 20.593 -4.882 -6.409 1.00 0.00 N flip ATOM 0 H ASN A 441 23.374 -5.786 -4.309 1.00 0.00 H new ATOM 0 HA ASN A 441 22.985 -5.746 -7.247 1.00 0.00 H new ATOM 0 HB2 ASN A 441 23.255 -3.479 -5.221 1.00 0.00 H new ATOM 0 HB3 ASN A 441 22.979 -3.285 -6.941 1.00 0.00 H new ATOM 0 HD21 ASN A 441 21.033 -5.564 -7.027 1.00 0.00 H new ATOM 0 HD22 ASN A 441 19.587 -4.919 -6.243 1.00 0.00 H new ATOM 1274 N THR A 442 25.318 -4.895 -7.780 1.00 0.00 N ATOM 1275 CA THR A 442 26.720 -4.749 -8.118 1.00 0.00 C ATOM 1276 C THR A 442 27.092 -3.274 -8.170 1.00 0.00 C ATOM 1277 O THR A 442 26.251 -2.427 -8.501 1.00 0.00 O ATOM 1278 CB THR A 442 27.057 -5.416 -9.475 1.00 0.00 C ATOM 1279 OG1 THR A 442 26.043 -5.117 -10.447 1.00 0.00 O ATOM 1280 CG2 THR A 442 27.192 -6.928 -9.301 1.00 0.00 C ATOM 0 H THR A 442 24.682 -4.783 -8.569 1.00 0.00 H new ATOM 0 HA THR A 442 27.299 -5.251 -7.342 1.00 0.00 H new ATOM 0 HB THR A 442 28.007 -5.017 -9.831 1.00 0.00 H new ATOM 0 HG1 THR A 442 26.271 -5.544 -11.299 1.00 0.00 H new ATOM 0 HG21 THR A 442 27.429 -7.385 -10.262 1.00 0.00 H new ATOM 0 HG22 THR A 442 27.990 -7.143 -8.590 1.00 0.00 H new ATOM 0 HG23 THR A 442 26.253 -7.336 -8.927 1.00 0.00 H new ATOM 1288 N LEU A 443 28.327 -2.952 -7.819 1.00 0.00 N ATOM 1289 CA LEU A 443 28.791 -1.579 -7.836 1.00 0.00 C ATOM 1290 C LEU A 443 30.289 -1.516 -8.162 1.00 0.00 C ATOM 1291 O LEU A 443 31.008 -2.505 -7.976 1.00 0.00 O ATOM 1292 CB LEU A 443 28.438 -0.899 -6.498 1.00 0.00 C ATOM 1293 CG LEU A 443 28.769 -1.682 -5.216 1.00 0.00 C ATOM 1294 CD1 LEU A 443 30.268 -1.694 -4.919 1.00 0.00 C ATOM 1295 CD2 LEU A 443 27.986 -1.123 -4.020 1.00 0.00 C ATOM 0 H LEU A 443 29.028 -3.629 -7.518 1.00 0.00 H new ATOM 0 HA LEU A 443 28.284 -1.027 -8.627 1.00 0.00 H new ATOM 0 HB2 LEU A 443 28.957 0.058 -6.456 1.00 0.00 H new ATOM 0 HB3 LEU A 443 27.370 -0.682 -6.498 1.00 0.00 H new ATOM 0 HG LEU A 443 28.464 -2.715 -5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 443 30.453 -2.258 -4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 443 30.799 -2.161 -5.748 1.00 0.00 H new ATOM 0 HD13 LEU A 443 30.622 -0.671 -4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 443 28.235 -1.692 -3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 443 28.249 -0.076 -3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 443 26.917 -1.204 -4.215 1.00 0.00 H new ATOM 1307 N PRO A 444 30.781 -0.369 -8.681 1.00 0.00 N ATOM 1308 CA PRO A 444 32.178 -0.228 -9.134 1.00 0.00 C ATOM 1309 C PRO A 444 33.199 -0.473 -8.011 1.00 0.00 C ATOM 1310 O PRO A 444 34.316 -0.897 -8.295 1.00 0.00 O ATOM 1311 CB PRO A 444 32.256 1.225 -9.627 1.00 0.00 C ATOM 1312 CG PRO A 444 31.100 1.914 -8.990 1.00 0.00 C ATOM 1313 CD PRO A 444 30.021 0.876 -8.890 1.00 0.00 C ATOM 0 HA PRO A 444 32.425 -0.965 -9.898 1.00 0.00 H new ATOM 0 HB2 PRO A 444 33.199 1.689 -9.338 1.00 0.00 H new ATOM 0 HB3 PRO A 444 32.195 1.276 -10.714 1.00 0.00 H new ATOM 0 HG2 PRO A 444 31.366 2.299 -8.006 1.00 0.00 H new ATOM 0 HG3 PRO A 444 30.772 2.765 -9.587 1.00 0.00 H new ATOM 0 HD2 PRO A 444 29.341 1.078 -8.062 1.00 0.00 H new ATOM 0 HD3 PRO A 444 29.416 0.833 -9.796 1.00 0.00 H new ATOM 1321 N VAL A 445 32.802 -0.195 -6.774 1.00 0.00 N ATOM 1322 CA VAL A 445 33.654 -0.385 -5.577 1.00 0.00 C ATOM 1323 C VAL A 445 35.060 0.209 -5.794 1.00 0.00 C ATOM 1324 O VAL A 445 36.061 -0.245 -5.205 1.00 0.00 O ATOM 1325 CB VAL A 445 33.746 -1.902 -5.139 1.00 0.00 C ATOM 1326 CG1 VAL A 445 34.630 -2.722 -6.066 1.00 0.00 C ATOM 1327 CG2 VAL A 445 34.214 -2.023 -3.685 1.00 0.00 C ATOM 0 H VAL A 445 31.875 0.172 -6.559 1.00 0.00 H new ATOM 0 HA VAL A 445 33.174 0.156 -4.761 1.00 0.00 H new ATOM 0 HB VAL A 445 32.740 -2.316 -5.215 1.00 0.00 H new ATOM 0 HG11 VAL A 445 34.659 -3.756 -5.721 1.00 0.00 H new ATOM 0 HG12 VAL A 445 34.226 -2.689 -7.078 1.00 0.00 H new ATOM 0 HG13 VAL A 445 35.639 -2.310 -6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 445 34.269 -3.075 -3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 445 35.199 -1.568 -3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 445 33.507 -1.512 -3.031 1.00 0.00 H new ATOM 1337 N ARG A 446 35.126 1.283 -6.585 1.00 0.00 N ATOM 1338 CA ARG A 446 36.406 1.909 -6.915 1.00 0.00 C ATOM 1339 C ARG A 446 36.798 2.932 -5.849 1.00 0.00 C ATOM 1340 O ARG A 446 35.957 3.366 -5.044 1.00 0.00 O ATOM 1341 CB ARG A 446 36.350 2.571 -8.287 1.00 0.00 C ATOM 1342 CG ARG A 446 35.965 1.616 -9.426 1.00 0.00 C ATOM 1343 CD ARG A 446 36.885 0.409 -9.499 1.00 0.00 C ATOM 1344 NE ARG A 446 36.425 -0.556 -10.508 1.00 0.00 N ATOM 1345 CZ ARG A 446 36.592 -1.874 -10.435 1.00 0.00 C ATOM 1346 NH1 ARG A 446 37.244 -2.415 -9.422 1.00 0.00 N ATOM 1347 NH2 ARG A 446 36.104 -2.647 -11.383 1.00 0.00 N ATOM 0 H ARG A 446 34.313 1.734 -7.006 1.00 0.00 H new ATOM 0 HA ARG A 446 37.165 1.127 -6.942 1.00 0.00 H new ATOM 0 HB2 ARG A 446 35.631 3.390 -8.255 1.00 0.00 H new ATOM 0 HB3 ARG A 446 37.323 3.009 -8.508 1.00 0.00 H new ATOM 0 HG2 ARG A 446 34.938 1.280 -9.284 1.00 0.00 H new ATOM 0 HG3 ARG A 446 35.997 2.153 -10.374 1.00 0.00 H new ATOM 0 HD2 ARG A 446 37.897 0.735 -9.740 1.00 0.00 H new ATOM 0 HD3 ARG A 446 36.930 -0.076 -8.524 1.00 0.00 H new ATOM 0 HE ARG A 446 35.941 -0.187 -11.326 1.00 0.00 H new ATOM 0 HH11 ARG A 446 37.625 -1.821 -8.686 1.00 0.00 H new ATOM 0 HH12 ARG A 446 37.366 -3.427 -9.376 1.00 0.00 H new ATOM 0 HH21 ARG A 446 35.601 -2.235 -12.169 1.00 0.00 H new ATOM 0 HH22 ARG A 446 36.229 -3.658 -11.332 1.00 0.00 H new ATOM 1361 N ASN A 447 38.069 3.310 -5.836 1.00 0.00 N ATOM 1362 CA ASN A 447 38.605 4.262 -4.862 1.00 0.00 C ATOM 1363 C ASN A 447 38.422 3.699 -3.444 1.00 0.00 C ATOM 1364 O ASN A 447 38.012 4.406 -2.524 1.00 0.00 O ATOM 1365 CB ASN A 447 37.932 5.646 -5.004 1.00 0.00 C ATOM 1366 CG ASN A 447 38.705 6.763 -4.296 1.00 0.00 C ATOM 1367 OD1 ASN A 447 39.436 6.535 -3.334 1.00 0.00 O ATOM 1368 ND2 ASN A 447 38.526 7.989 -4.768 1.00 0.00 N ATOM 0 H ASN A 447 38.762 2.966 -6.501 1.00 0.00 H new ATOM 0 HA ASN A 447 39.669 4.402 -5.053 1.00 0.00 H new ATOM 0 HB2 ASN A 447 37.838 5.891 -6.062 1.00 0.00 H new ATOM 0 HB3 ASN A 447 36.922 5.596 -4.597 1.00 0.00 H new ATOM 0 HD21 ASN A 447 39.002 8.778 -4.331 1.00 0.00 H new ATOM 0 HD22 ASN A 447 37.912 8.143 -5.568 1.00 0.00 H new ATOM 1375 N VAL A 448 38.734 2.414 -3.295 1.00 0.00 N ATOM 1376 CA VAL A 448 38.692 1.692 -2.023 1.00 0.00 C ATOM 1377 C VAL A 448 37.423 2.010 -1.236 1.00 0.00 C ATOM 1378 O VAL A 448 36.333 2.155 -1.798 1.00 0.00 O ATOM 1379 CB VAL A 448 39.936 1.930 -1.142 1.00 0.00 C ATOM 1380 CG1 VAL A 448 41.233 1.674 -1.946 1.00 0.00 C ATOM 1381 CG2 VAL A 448 39.953 3.340 -0.562 1.00 0.00 C ATOM 0 H VAL A 448 39.031 1.829 -4.076 1.00 0.00 H new ATOM 0 HA VAL A 448 38.687 0.635 -2.291 1.00 0.00 H new ATOM 0 HB VAL A 448 39.886 1.224 -0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 448 42.098 1.848 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 448 41.244 0.643 -2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 448 41.272 2.351 -2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 448 40.844 3.470 0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 448 39.963 4.067 -1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 448 39.064 3.492 0.051 1.00 0.00 H new