USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 581 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 526 HIS : no HD1:sc= 0 X(o=1,f=0.97) USER MOD Set 1.2: A 527 SER OG : rot 37:sc= 1.05 USER MOD Single : A 462 SER OG : rot 48:sc= 0.462 USER MOD Single : A 463 LYS NZ :NH3+ -179:sc= 0.143 (180deg=0.143) USER MOD Single : A 468 ASN : amide:sc= 0.322 X(o=0.32,f=-0.032) USER MOD Single : A 472 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.34) USER MOD Single : A 474 ASN : amide:sc= 0.624 K(o=0.62,f=-10!) USER MOD Single : A 475 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.24) USER MOD Single : A 483 SER OG : rot 180:sc= 0 USER MOD Single : A 484 THR OG1 : rot 63:sc= 1.22 USER MOD Single : A 489 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 490 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 THR OG1 : rot 180:sc= 0 USER MOD Single : A 514 LYS NZ :NH3+ -140:sc= -1.02 (180deg=-2.72!) USER MOD Single : A 515 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 518 LYS NZ :NH3+ -167:sc=-0.000633 (180deg=-0.0686) USER MOD Single : A 519 LYS NZ :NH3+ -126:sc= -0.669 (180deg=-2.36!) USER MOD Single : A 522 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 525 CYS SG : rot 180:sc= 0 USER MOD Single : A 528 THR OG1 : rot 59:sc= -0.291 USER MOD Single : A 529 HIS : no HD1:sc= -1.55 K(o=-1.6,f=-2.3) USER MOD Single : A 531 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N SER A 462 5.985 0.857 -7.423 1.00 0.00 N ATOM 203 CA SER A 462 6.159 0.288 -6.092 1.00 0.00 C ATOM 204 C SER A 462 5.149 0.878 -5.112 1.00 0.00 C ATOM 205 O SER A 462 5.437 1.850 -4.414 1.00 0.00 O ATOM 206 CB SER A 462 7.582 0.541 -5.588 1.00 0.00 C ATOM 207 OG SER A 462 7.906 1.919 -5.648 1.00 0.00 O ATOM 0 HA SER A 462 5.990 -0.787 -6.159 1.00 0.00 H new ATOM 0 HB2 SER A 462 7.676 0.186 -4.562 1.00 0.00 H new ATOM 0 HB3 SER A 462 8.291 -0.029 -6.189 1.00 0.00 H new ATOM 0 HG SER A 462 7.182 2.443 -5.247 1.00 0.00 H new ATOM 213 N LYS A 463 3.962 0.282 -5.067 1.00 0.00 N ATOM 214 CA LYS A 463 2.907 0.745 -4.173 1.00 0.00 C ATOM 215 C LYS A 463 2.057 -0.423 -3.684 1.00 0.00 C ATOM 216 O LYS A 463 1.624 -1.262 -4.475 1.00 0.00 O ATOM 217 CB LYS A 463 2.022 1.771 -4.884 1.00 0.00 C ATOM 218 CG LYS A 463 2.682 3.128 -5.057 1.00 0.00 C ATOM 219 CD LYS A 463 2.526 3.986 -3.813 1.00 0.00 C ATOM 220 CE LYS A 463 2.486 5.467 -4.159 1.00 0.00 C ATOM 221 NZ LYS A 463 3.826 5.979 -4.559 1.00 0.00 N ATOM 0 H LYS A 463 3.707 -0.523 -5.639 1.00 0.00 H new ATOM 0 HA LYS A 463 3.377 1.216 -3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 463 1.746 1.383 -5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 463 1.098 1.895 -4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 463 3.741 2.993 -5.277 1.00 0.00 H new ATOM 0 HG3 LYS A 463 2.242 3.641 -5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 463 1.610 3.708 -3.291 1.00 0.00 H new ATOM 0 HD3 LYS A 463 3.354 3.793 -3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 463 1.777 5.631 -4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 463 2.123 6.031 -3.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 3.760 6.995 -4.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 4.501 5.830 -3.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 4.154 5.470 -5.405 1.00 0.00 H new ATOM 235 N ILE A 464 1.821 -0.471 -2.377 1.00 0.00 N ATOM 236 CA ILE A 464 1.021 -1.535 -1.784 1.00 0.00 C ATOM 237 C ILE A 464 -0.194 -0.969 -1.056 1.00 0.00 C ATOM 238 O ILE A 464 -0.068 -0.375 0.016 1.00 0.00 O ATOM 239 CB ILE A 464 1.849 -2.379 -0.798 1.00 0.00 C ATOM 240 CG1 ILE A 464 3.031 -3.031 -1.518 1.00 0.00 C ATOM 241 CG2 ILE A 464 0.974 -3.436 -0.141 1.00 0.00 C ATOM 242 CD1 ILE A 464 4.235 -3.249 -0.629 1.00 0.00 C ATOM 0 H ILE A 464 2.173 0.215 -1.709 1.00 0.00 H new ATOM 0 HA ILE A 464 0.687 -2.172 -2.603 1.00 0.00 H new ATOM 0 HB ILE A 464 2.239 -1.723 -0.020 1.00 0.00 H new ATOM 0 HG12 ILE A 464 2.713 -3.990 -1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.321 -2.406 -2.362 1.00 0.00 H new ATOM 0 HG21 ILE A 464 1.574 -4.025 0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 464 0.163 -2.951 0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 464 0.558 -4.091 -0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 464 5.034 -3.715 -1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 464 4.579 -2.290 -0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 464 3.961 -3.899 0.202 1.00 0.00 H new ATOM 254 N LEU A 465 -1.370 -1.157 -1.644 1.00 0.00 N ATOM 255 CA LEU A 465 -2.609 -0.667 -1.050 1.00 0.00 C ATOM 256 C LEU A 465 -3.316 -1.773 -0.274 1.00 0.00 C ATOM 257 O LEU A 465 -3.853 -2.713 -0.862 1.00 0.00 O ATOM 258 CB LEU A 465 -3.536 -0.118 -2.137 1.00 0.00 C ATOM 259 CG LEU A 465 -5.016 -0.013 -1.766 1.00 0.00 C ATOM 260 CD1 LEU A 465 -5.198 0.872 -0.543 1.00 0.00 C ATOM 261 CD2 LEU A 465 -5.822 0.524 -2.940 1.00 0.00 C ATOM 0 H LEU A 465 -1.492 -1.645 -2.531 1.00 0.00 H new ATOM 0 HA LEU A 465 -2.358 0.135 -0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 465 -3.182 0.873 -2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 465 -3.447 -0.754 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 465 -5.383 -1.011 -1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 465 -6.257 0.935 -0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 465 -4.652 0.446 0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 465 -4.815 1.870 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 465 -6.873 0.592 -2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 465 -5.454 1.513 -3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 465 -5.717 -0.149 -3.791 1.00 0.00 H new ATOM 273 N VAL A 466 -3.314 -1.655 1.050 1.00 0.00 N ATOM 274 CA VAL A 466 -3.959 -2.643 1.907 1.00 0.00 C ATOM 275 C VAL A 466 -5.383 -2.225 2.253 1.00 0.00 C ATOM 276 O VAL A 466 -5.639 -1.065 2.579 1.00 0.00 O ATOM 277 CB VAL A 466 -3.167 -2.857 3.210 1.00 0.00 C ATOM 278 CG1 VAL A 466 -2.925 -1.529 3.913 1.00 0.00 C ATOM 279 CG2 VAL A 466 -3.898 -3.828 4.125 1.00 0.00 C ATOM 0 H VAL A 466 -2.873 -0.885 1.553 1.00 0.00 H new ATOM 0 HA VAL A 466 -3.985 -3.578 1.348 1.00 0.00 H new ATOM 0 HB VAL A 466 -2.199 -3.289 2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -2.364 -1.701 4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -2.356 -0.869 3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -3.882 -1.065 4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -3.324 -3.967 5.041 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -4.881 -3.426 4.371 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -4.014 -4.787 3.620 1.00 0.00 H new ATOM 289 N ARG A 467 -6.307 -3.177 2.181 1.00 0.00 N ATOM 290 CA ARG A 467 -7.707 -2.908 2.487 1.00 0.00 C ATOM 291 C ARG A 467 -8.227 -3.870 3.551 1.00 0.00 C ATOM 292 O ARG A 467 -7.505 -4.757 4.005 1.00 0.00 O ATOM 293 CB ARG A 467 -8.559 -3.022 1.221 1.00 0.00 C ATOM 294 CG ARG A 467 -8.581 -1.753 0.385 1.00 0.00 C ATOM 295 CD ARG A 467 -9.447 -1.918 -0.855 1.00 0.00 C ATOM 296 NE ARG A 467 -10.862 -2.047 -0.521 1.00 0.00 N ATOM 297 CZ ARG A 467 -11.441 -3.200 -0.203 1.00 0.00 C ATOM 298 NH1 ARG A 467 -10.728 -4.318 -0.176 1.00 0.00 N ATOM 299 NH2 ARG A 467 -12.735 -3.236 0.089 1.00 0.00 N ATOM 0 H ARG A 467 -6.112 -4.142 1.913 1.00 0.00 H new ATOM 0 HA ARG A 467 -7.778 -1.892 2.875 1.00 0.00 H new ATOM 0 HB2 ARG A 467 -8.180 -3.842 0.611 1.00 0.00 H new ATOM 0 HB3 ARG A 467 -9.580 -3.279 1.502 1.00 0.00 H new ATOM 0 HG2 ARG A 467 -8.959 -0.926 0.987 1.00 0.00 H new ATOM 0 HG3 ARG A 467 -7.565 -1.493 0.089 1.00 0.00 H new ATOM 0 HD2 ARG A 467 -9.306 -1.060 -1.512 1.00 0.00 H new ATOM 0 HD3 ARG A 467 -9.123 -2.800 -1.408 1.00 0.00 H new ATOM 0 HE ARG A 467 -11.438 -1.205 -0.532 1.00 0.00 H new ATOM 0 HH11 ARG A 467 -9.733 -4.294 -0.400 1.00 0.00 H new ATOM 0 HH12 ARG A 467 -11.175 -5.202 0.068 1.00 0.00 H new ATOM 0 HH21 ARG A 467 -13.286 -2.378 0.069 1.00 0.00 H new ATOM 0 HH22 ARG A 467 -13.178 -4.122 0.333 1.00 0.00 H new ATOM 313 N ASN A 468 -9.483 -3.686 3.945 1.00 0.00 N ATOM 314 CA ASN A 468 -10.098 -4.537 4.957 1.00 0.00 C ATOM 315 C ASN A 468 -9.290 -4.515 6.251 1.00 0.00 C ATOM 316 O ASN A 468 -9.115 -5.545 6.903 1.00 0.00 O ATOM 317 CB ASN A 468 -10.218 -5.973 4.442 1.00 0.00 C ATOM 318 CG ASN A 468 -11.391 -6.712 5.056 1.00 0.00 C ATOM 319 OD1 ASN A 468 -12.540 -6.288 4.931 1.00 0.00 O ATOM 320 ND2 ASN A 468 -11.106 -7.824 5.724 1.00 0.00 N ATOM 0 H ASN A 468 -10.094 -2.956 3.579 1.00 0.00 H new ATOM 0 HA ASN A 468 -11.095 -4.148 5.165 1.00 0.00 H new ATOM 0 HB2 ASN A 468 -10.328 -5.959 3.358 1.00 0.00 H new ATOM 0 HB3 ASN A 468 -9.297 -6.513 4.662 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -11.854 -8.364 6.159 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -10.139 -8.138 5.802 1.00 0.00 H new ATOM 327 N ILE A 469 -8.802 -3.335 6.617 1.00 0.00 N ATOM 328 CA ILE A 469 -8.015 -3.179 7.834 1.00 0.00 C ATOM 329 C ILE A 469 -8.915 -3.033 9.056 1.00 0.00 C ATOM 330 O ILE A 469 -9.898 -2.292 9.049 1.00 0.00 O ATOM 331 CB ILE A 469 -7.083 -1.956 7.748 1.00 0.00 C ATOM 332 CG1 ILE A 469 -6.256 -2.006 6.462 1.00 0.00 C ATOM 333 CG2 ILE A 469 -6.174 -1.896 8.967 1.00 0.00 C ATOM 334 CD1 ILE A 469 -5.590 -0.692 6.119 1.00 0.00 C ATOM 0 H ILE A 469 -8.938 -2.473 6.089 1.00 0.00 H new ATOM 0 HA ILE A 469 -7.411 -4.080 7.937 1.00 0.00 H new ATOM 0 HB ILE A 469 -7.694 -1.053 7.729 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -5.491 -2.776 6.561 1.00 0.00 H new ATOM 0 HG13 ILE A 469 -6.902 -2.303 5.636 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -5.521 -1.026 8.892 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -6.780 -1.818 9.869 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -5.568 -2.801 9.014 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -5.021 -0.802 5.196 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -6.350 0.078 5.987 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -4.918 -0.403 6.927 1.00 0.00 H new ATOM 346 N PRO A 470 -8.572 -3.756 10.133 1.00 0.00 N ATOM 347 CA PRO A 470 -9.335 -3.723 11.384 1.00 0.00 C ATOM 348 C PRO A 470 -9.196 -2.391 12.113 1.00 0.00 C ATOM 349 O PRO A 470 -8.108 -1.816 12.175 1.00 0.00 O ATOM 350 CB PRO A 470 -8.711 -4.851 12.209 1.00 0.00 C ATOM 351 CG PRO A 470 -7.327 -4.991 11.676 1.00 0.00 C ATOM 352 CD PRO A 470 -7.413 -4.661 10.211 1.00 0.00 C ATOM 0 HA PRO A 470 -10.405 -3.843 11.212 1.00 0.00 H new ATOM 0 HB2 PRO A 470 -8.703 -4.607 13.271 1.00 0.00 H new ATOM 0 HB3 PRO A 470 -9.273 -5.779 12.100 1.00 0.00 H new ATOM 0 HG2 PRO A 470 -6.641 -4.316 12.189 1.00 0.00 H new ATOM 0 HG3 PRO A 470 -6.951 -6.003 11.827 1.00 0.00 H new ATOM 0 HD2 PRO A 470 -6.503 -4.180 9.853 1.00 0.00 H new ATOM 0 HD3 PRO A 470 -7.560 -5.555 9.606 1.00 0.00 H new ATOM 360 N PHE A 471 -10.303 -1.904 12.663 1.00 0.00 N ATOM 361 CA PHE A 471 -10.305 -0.638 13.387 1.00 0.00 C ATOM 362 C PHE A 471 -9.153 -0.582 14.386 1.00 0.00 C ATOM 363 O PHE A 471 -8.528 0.462 14.570 1.00 0.00 O ATOM 364 CB PHE A 471 -11.636 -0.445 14.115 1.00 0.00 C ATOM 365 CG PHE A 471 -12.812 -0.316 13.190 1.00 0.00 C ATOM 366 CD1 PHE A 471 -13.469 -1.443 12.722 1.00 0.00 C ATOM 367 CD2 PHE A 471 -13.262 0.932 12.789 1.00 0.00 C ATOM 368 CE1 PHE A 471 -14.551 -1.327 11.870 1.00 0.00 C ATOM 369 CE2 PHE A 471 -14.344 1.054 11.937 1.00 0.00 C ATOM 370 CZ PHE A 471 -14.990 -0.077 11.478 1.00 0.00 C ATOM 0 H PHE A 471 -11.211 -2.367 12.621 1.00 0.00 H new ATOM 0 HA PHE A 471 -10.175 0.167 12.663 1.00 0.00 H new ATOM 0 HB2 PHE A 471 -11.801 -1.290 14.784 1.00 0.00 H new ATOM 0 HB3 PHE A 471 -11.574 0.447 14.738 1.00 0.00 H new ATOM 0 HD1 PHE A 471 -13.132 -2.423 13.026 1.00 0.00 H new ATOM 0 HD2 PHE A 471 -12.761 1.820 13.146 1.00 0.00 H new ATOM 0 HE1 PHE A 471 -15.053 -2.213 11.511 1.00 0.00 H new ATOM 0 HE2 PHE A 471 -14.684 2.032 11.631 1.00 0.00 H new ATOM 0 HZ PHE A 471 -15.837 0.015 10.814 1.00 0.00 H new ATOM 380 N GLN A 472 -8.879 -1.713 15.029 1.00 0.00 N ATOM 381 CA GLN A 472 -7.803 -1.792 16.010 1.00 0.00 C ATOM 382 C GLN A 472 -6.466 -1.412 15.384 1.00 0.00 C ATOM 383 O GLN A 472 -5.667 -0.697 15.988 1.00 0.00 O ATOM 384 CB GLN A 472 -7.723 -3.202 16.597 1.00 0.00 C ATOM 385 CG GLN A 472 -6.958 -3.273 17.909 1.00 0.00 C ATOM 386 CD GLN A 472 -7.518 -2.337 18.962 1.00 0.00 C ATOM 387 OE1 GLN A 472 -8.734 -2.205 19.108 1.00 0.00 O ATOM 388 NE2 GLN A 472 -6.633 -1.682 19.704 1.00 0.00 N ATOM 0 H GLN A 472 -9.387 -2.586 14.888 1.00 0.00 H new ATOM 0 HA GLN A 472 -8.022 -1.085 16.810 1.00 0.00 H new ATOM 0 HB2 GLN A 472 -8.734 -3.579 16.755 1.00 0.00 H new ATOM 0 HB3 GLN A 472 -7.246 -3.862 15.872 1.00 0.00 H new ATOM 0 HG2 GLN A 472 -6.985 -4.295 18.286 1.00 0.00 H new ATOM 0 HG3 GLN A 472 -5.912 -3.027 17.729 1.00 0.00 H new ATOM 0 HE21 GLN A 472 -5.635 -1.822 19.549 1.00 0.00 H new ATOM 0 HE22 GLN A 472 -6.952 -1.039 20.429 1.00 0.00 H new ATOM 397 N ALA A 473 -6.228 -1.896 14.169 1.00 0.00 N ATOM 398 CA ALA A 473 -4.988 -1.606 13.460 1.00 0.00 C ATOM 399 C ALA A 473 -4.875 -0.119 13.137 1.00 0.00 C ATOM 400 O ALA A 473 -5.780 0.467 12.545 1.00 0.00 O ATOM 401 CB ALA A 473 -4.903 -2.432 12.186 1.00 0.00 C ATOM 0 H ALA A 473 -6.878 -2.491 13.655 1.00 0.00 H new ATOM 0 HA ALA A 473 -4.155 -1.874 14.110 1.00 0.00 H new ATOM 0 HB1 ALA A 473 -3.972 -2.205 11.667 1.00 0.00 H new ATOM 0 HB2 ALA A 473 -4.929 -3.492 12.437 1.00 0.00 H new ATOM 0 HB3 ALA A 473 -5.747 -2.191 11.539 1.00 0.00 H new ATOM 407 N ASN A 474 -3.759 0.484 13.532 1.00 0.00 N ATOM 408 CA ASN A 474 -3.528 1.903 13.285 1.00 0.00 C ATOM 409 C ASN A 474 -2.325 2.108 12.370 1.00 0.00 C ATOM 410 O ASN A 474 -1.608 1.160 12.051 1.00 0.00 O ATOM 411 CB ASN A 474 -3.311 2.643 14.607 1.00 0.00 C ATOM 412 CG ASN A 474 -2.156 2.070 15.406 1.00 0.00 C ATOM 413 OD1 ASN A 474 -1.576 1.049 15.036 1.00 0.00 O ATOM 414 ND2 ASN A 474 -1.817 2.727 16.509 1.00 0.00 N ATOM 0 H ASN A 474 -3.000 0.013 14.024 1.00 0.00 H new ATOM 0 HA ASN A 474 -4.410 2.309 12.790 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -3.121 3.697 14.404 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -4.222 2.592 15.203 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -1.048 2.389 17.088 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -2.326 3.569 16.778 1.00 0.00 H new ATOM 421 N GLN A 475 -2.110 3.351 11.953 1.00 0.00 N ATOM 422 CA GLN A 475 -0.994 3.680 11.075 1.00 0.00 C ATOM 423 C GLN A 475 0.259 2.909 11.476 1.00 0.00 C ATOM 424 O GLN A 475 0.955 2.351 10.627 1.00 0.00 O ATOM 425 CB GLN A 475 -0.715 5.184 11.111 1.00 0.00 C ATOM 426 CG GLN A 475 0.536 5.589 10.348 1.00 0.00 C ATOM 427 CD GLN A 475 0.729 7.092 10.300 1.00 0.00 C ATOM 428 OE1 GLN A 475 0.591 7.714 9.247 1.00 0.00 O ATOM 429 NE2 GLN A 475 1.051 7.684 11.444 1.00 0.00 N ATOM 0 H GLN A 475 -2.694 4.147 12.209 1.00 0.00 H new ATOM 0 HA GLN A 475 -1.266 3.393 10.059 1.00 0.00 H new ATOM 0 HB2 GLN A 475 -1.572 5.714 10.695 1.00 0.00 H new ATOM 0 HB3 GLN A 475 -0.616 5.502 12.149 1.00 0.00 H new ATOM 0 HG2 GLN A 475 1.407 5.129 10.815 1.00 0.00 H new ATOM 0 HG3 GLN A 475 0.478 5.201 9.331 1.00 0.00 H new ATOM 0 HE21 GLN A 475 1.155 7.129 12.294 1.00 0.00 H new ATOM 0 HE22 GLN A 475 1.194 8.693 11.473 1.00 0.00 H new ATOM 438 N ARG A 476 0.542 2.882 12.774 1.00 0.00 N ATOM 439 CA ARG A 476 1.712 2.180 13.287 1.00 0.00 C ATOM 440 C ARG A 476 1.599 0.679 13.037 1.00 0.00 C ATOM 441 O ARG A 476 2.557 0.038 12.608 1.00 0.00 O ATOM 442 CB ARG A 476 1.878 2.447 14.784 1.00 0.00 C ATOM 443 CG ARG A 476 2.874 1.520 15.462 1.00 0.00 C ATOM 444 CD ARG A 476 3.369 2.100 16.777 1.00 0.00 C ATOM 445 NE ARG A 476 3.809 1.060 17.703 1.00 0.00 N ATOM 446 CZ ARG A 476 2.976 0.309 18.415 1.00 0.00 C ATOM 447 NH1 ARG A 476 1.665 0.483 18.308 1.00 0.00 N ATOM 448 NH2 ARG A 476 3.452 -0.617 19.236 1.00 0.00 N ATOM 0 H ARG A 476 -0.023 3.338 13.490 1.00 0.00 H new ATOM 0 HA ARG A 476 2.589 2.554 12.759 1.00 0.00 H new ATOM 0 HB2 ARG A 476 2.199 3.479 14.927 1.00 0.00 H new ATOM 0 HB3 ARG A 476 0.909 2.345 15.272 1.00 0.00 H new ATOM 0 HG2 ARG A 476 2.407 0.552 15.643 1.00 0.00 H new ATOM 0 HG3 ARG A 476 3.721 1.346 14.798 1.00 0.00 H new ATOM 0 HD2 ARG A 476 4.194 2.785 16.583 1.00 0.00 H new ATOM 0 HD3 ARG A 476 2.572 2.683 17.239 1.00 0.00 H new ATOM 0 HE ARG A 476 4.811 0.902 17.809 1.00 0.00 H new ATOM 0 HH11 ARG A 476 1.295 1.195 17.678 1.00 0.00 H new ATOM 0 HH12 ARG A 476 1.027 -0.095 18.856 1.00 0.00 H new ATOM 0 HH21 ARG A 476 4.459 -0.754 19.322 1.00 0.00 H new ATOM 0 HH22 ARG A 476 2.811 -1.193 19.782 1.00 0.00 H new ATOM 462 N GLU A 477 0.421 0.126 13.310 1.00 0.00 N ATOM 463 CA GLU A 477 0.184 -1.300 13.116 1.00 0.00 C ATOM 464 C GLU A 477 0.643 -1.744 11.730 1.00 0.00 C ATOM 465 O GLU A 477 1.396 -2.709 11.594 1.00 0.00 O ATOM 466 CB GLU A 477 -1.301 -1.622 13.301 1.00 0.00 C ATOM 467 CG GLU A 477 -1.613 -3.108 13.241 1.00 0.00 C ATOM 468 CD GLU A 477 -1.005 -3.879 14.397 1.00 0.00 C ATOM 469 OE1 GLU A 477 -0.714 -3.254 15.438 1.00 0.00 O ATOM 470 OE2 GLU A 477 -0.822 -5.107 14.260 1.00 0.00 O ATOM 0 H GLU A 477 -0.383 0.643 13.666 1.00 0.00 H new ATOM 0 HA GLU A 477 0.762 -1.844 13.863 1.00 0.00 H new ATOM 0 HB2 GLU A 477 -1.633 -1.228 14.262 1.00 0.00 H new ATOM 0 HB3 GLU A 477 -1.875 -1.107 12.530 1.00 0.00 H new ATOM 0 HG2 GLU A 477 -2.694 -3.249 13.244 1.00 0.00 H new ATOM 0 HG3 GLU A 477 -1.241 -3.516 12.301 1.00 0.00 H new ATOM 477 N ILE A 478 0.184 -1.034 10.706 1.00 0.00 N ATOM 478 CA ILE A 478 0.548 -1.354 9.331 1.00 0.00 C ATOM 479 C ILE A 478 2.038 -1.139 9.092 1.00 0.00 C ATOM 480 O ILE A 478 2.698 -1.956 8.450 1.00 0.00 O ATOM 481 CB ILE A 478 -0.250 -0.503 8.325 1.00 0.00 C ATOM 482 CG1 ILE A 478 -1.752 -0.721 8.517 1.00 0.00 C ATOM 483 CG2 ILE A 478 0.163 -0.843 6.900 1.00 0.00 C ATOM 484 CD1 ILE A 478 -2.233 -2.071 8.031 1.00 0.00 C ATOM 0 H ILE A 478 -0.441 -0.233 10.802 1.00 0.00 H new ATOM 0 HA ILE A 478 0.306 -2.406 9.177 1.00 0.00 H new ATOM 0 HB ILE A 478 -0.030 0.549 8.506 1.00 0.00 H new ATOM 0 HG12 ILE A 478 -1.994 -0.617 9.575 1.00 0.00 H new ATOM 0 HG13 ILE A 478 -2.295 0.062 7.987 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -0.409 -0.234 6.200 1.00 0.00 H new ATOM 0 HG22 ILE A 478 1.226 -0.641 6.771 1.00 0.00 H new ATOM 0 HG23 ILE A 478 -0.032 -1.898 6.707 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -3.307 -2.157 8.198 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -2.023 -2.170 6.966 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -1.717 -2.860 8.578 1.00 0.00 H new ATOM 496 N ARG A 479 2.563 -0.036 9.616 1.00 0.00 N ATOM 497 CA ARG A 479 3.976 0.286 9.460 1.00 0.00 C ATOM 498 C ARG A 479 4.847 -0.934 9.748 1.00 0.00 C ATOM 499 O ARG A 479 5.492 -1.473 8.849 1.00 0.00 O ATOM 500 CB ARG A 479 4.365 1.434 10.393 1.00 0.00 C ATOM 501 CG ARG A 479 4.287 2.804 9.739 1.00 0.00 C ATOM 502 CD ARG A 479 4.278 3.917 10.775 1.00 0.00 C ATOM 503 NE ARG A 479 4.177 5.237 10.159 1.00 0.00 N ATOM 504 CZ ARG A 479 3.913 6.347 10.839 1.00 0.00 C ATOM 505 NH1 ARG A 479 3.726 6.296 12.151 1.00 0.00 N ATOM 506 NH2 ARG A 479 3.838 7.512 10.207 1.00 0.00 N ATOM 0 H ARG A 479 2.031 0.649 10.152 1.00 0.00 H new ATOM 0 HA ARG A 479 4.141 0.593 8.427 1.00 0.00 H new ATOM 0 HB2 ARG A 479 3.711 1.419 11.265 1.00 0.00 H new ATOM 0 HB3 ARG A 479 5.381 1.270 10.753 1.00 0.00 H new ATOM 0 HG2 ARG A 479 5.136 2.937 9.068 1.00 0.00 H new ATOM 0 HG3 ARG A 479 3.386 2.866 9.129 1.00 0.00 H new ATOM 0 HD2 ARG A 479 3.441 3.770 11.457 1.00 0.00 H new ATOM 0 HD3 ARG A 479 5.189 3.864 11.372 1.00 0.00 H new ATOM 0 HE ARG A 479 4.317 5.311 9.151 1.00 0.00 H new ATOM 0 HH11 ARG A 479 3.785 5.403 12.640 1.00 0.00 H new ATOM 0 HH12 ARG A 479 3.523 7.150 12.671 1.00 0.00 H new ATOM 0 HH21 ARG A 479 3.983 7.555 9.198 1.00 0.00 H new ATOM 0 HH22 ARG A 479 3.635 8.364 10.730 1.00 0.00 H new ATOM 520 N GLU A 480 4.859 -1.363 11.006 1.00 0.00 N ATOM 521 CA GLU A 480 5.651 -2.518 11.411 1.00 0.00 C ATOM 522 C GLU A 480 5.222 -3.767 10.647 1.00 0.00 C ATOM 523 O GLU A 480 6.051 -4.607 10.292 1.00 0.00 O ATOM 524 CB GLU A 480 5.515 -2.755 12.917 1.00 0.00 C ATOM 525 CG GLU A 480 4.084 -2.997 13.367 1.00 0.00 C ATOM 526 CD GLU A 480 3.974 -3.228 14.862 1.00 0.00 C ATOM 527 OE1 GLU A 480 3.972 -2.235 15.618 1.00 0.00 O ATOM 528 OE2 GLU A 480 3.889 -4.404 15.275 1.00 0.00 O ATOM 0 H GLU A 480 4.330 -0.928 11.762 1.00 0.00 H new ATOM 0 HA GLU A 480 6.695 -2.311 11.176 1.00 0.00 H new ATOM 0 HB2 GLU A 480 6.126 -3.613 13.198 1.00 0.00 H new ATOM 0 HB3 GLU A 480 5.914 -1.892 13.450 1.00 0.00 H new ATOM 0 HG2 GLU A 480 3.470 -2.140 13.089 1.00 0.00 H new ATOM 0 HG3 GLU A 480 3.682 -3.862 12.839 1.00 0.00 H new ATOM 535 N LEU A 481 3.923 -3.883 10.397 1.00 0.00 N ATOM 536 CA LEU A 481 3.382 -5.029 9.676 1.00 0.00 C ATOM 537 C LEU A 481 4.197 -5.315 8.418 1.00 0.00 C ATOM 538 O LEU A 481 4.700 -6.423 8.231 1.00 0.00 O ATOM 539 CB LEU A 481 1.920 -4.779 9.303 1.00 0.00 C ATOM 540 CG LEU A 481 1.133 -5.996 8.816 1.00 0.00 C ATOM 541 CD1 LEU A 481 0.901 -6.974 9.957 1.00 0.00 C ATOM 542 CD2 LEU A 481 -0.192 -5.565 8.203 1.00 0.00 C ATOM 0 H LEU A 481 3.224 -3.197 10.683 1.00 0.00 H new ATOM 0 HA LEU A 481 3.440 -5.899 10.331 1.00 0.00 H new ATOM 0 HB2 LEU A 481 1.410 -4.366 10.173 1.00 0.00 H new ATOM 0 HB3 LEU A 481 1.890 -4.017 8.524 1.00 0.00 H new ATOM 0 HG LEU A 481 1.720 -6.499 8.047 1.00 0.00 H new ATOM 0 HD11 LEU A 481 0.339 -7.833 9.591 1.00 0.00 H new ATOM 0 HD12 LEU A 481 1.861 -7.309 10.350 1.00 0.00 H new ATOM 0 HD13 LEU A 481 0.336 -6.482 10.749 1.00 0.00 H new ATOM 0 HD21 LEU A 481 -0.738 -6.444 7.862 1.00 0.00 H new ATOM 0 HD22 LEU A 481 -0.784 -5.037 8.951 1.00 0.00 H new ATOM 0 HD23 LEU A 481 -0.004 -4.904 7.357 1.00 0.00 H new ATOM 554 N PHE A 482 4.325 -4.309 7.561 1.00 0.00 N ATOM 555 CA PHE A 482 5.080 -4.451 6.321 1.00 0.00 C ATOM 556 C PHE A 482 6.570 -4.233 6.565 1.00 0.00 C ATOM 557 O PHE A 482 7.405 -5.017 6.114 1.00 0.00 O ATOM 558 CB PHE A 482 4.572 -3.460 5.273 1.00 0.00 C ATOM 559 CG PHE A 482 3.264 -3.860 4.653 1.00 0.00 C ATOM 560 CD1 PHE A 482 2.064 -3.543 5.270 1.00 0.00 C ATOM 561 CD2 PHE A 482 3.233 -4.553 3.454 1.00 0.00 C ATOM 562 CE1 PHE A 482 0.858 -3.909 4.703 1.00 0.00 C ATOM 563 CE2 PHE A 482 2.030 -4.922 2.882 1.00 0.00 C ATOM 564 CZ PHE A 482 0.842 -4.601 3.507 1.00 0.00 C ATOM 0 H PHE A 482 3.916 -3.385 7.702 1.00 0.00 H new ATOM 0 HA PHE A 482 4.935 -5.466 5.950 1.00 0.00 H new ATOM 0 HB2 PHE A 482 4.461 -2.480 5.736 1.00 0.00 H new ATOM 0 HB3 PHE A 482 5.321 -3.358 4.488 1.00 0.00 H new ATOM 0 HD1 PHE A 482 2.072 -3.003 6.205 1.00 0.00 H new ATOM 0 HD2 PHE A 482 4.159 -4.808 2.961 1.00 0.00 H new ATOM 0 HE1 PHE A 482 -0.070 -3.655 5.194 1.00 0.00 H new ATOM 0 HE2 PHE A 482 2.020 -5.461 1.946 1.00 0.00 H new ATOM 0 HZ PHE A 482 -0.099 -4.890 3.062 1.00 0.00 H new ATOM 574 N SER A 483 6.896 -3.161 7.280 1.00 0.00 N ATOM 575 CA SER A 483 8.286 -2.835 7.580 1.00 0.00 C ATOM 576 C SER A 483 9.066 -4.089 7.964 1.00 0.00 C ATOM 577 O SER A 483 10.285 -4.151 7.798 1.00 0.00 O ATOM 578 CB SER A 483 8.358 -1.809 8.712 1.00 0.00 C ATOM 579 OG SER A 483 9.691 -1.379 8.926 1.00 0.00 O ATOM 0 H SER A 483 6.217 -2.503 7.662 1.00 0.00 H new ATOM 0 HA SER A 483 8.736 -2.408 6.684 1.00 0.00 H new ATOM 0 HB2 SER A 483 7.730 -0.951 8.470 1.00 0.00 H new ATOM 0 HB3 SER A 483 7.962 -2.246 9.629 1.00 0.00 H new ATOM 0 HG SER A 483 9.710 -0.722 9.653 1.00 0.00 H new ATOM 585 N THR A 484 8.355 -5.087 8.478 1.00 0.00 N ATOM 586 CA THR A 484 8.979 -6.339 8.887 1.00 0.00 C ATOM 587 C THR A 484 9.790 -6.947 7.748 1.00 0.00 C ATOM 588 O THR A 484 10.904 -7.430 7.955 1.00 0.00 O ATOM 589 CB THR A 484 7.929 -7.363 9.358 1.00 0.00 C ATOM 590 OG1 THR A 484 7.361 -6.945 10.604 1.00 0.00 O ATOM 591 CG2 THR A 484 8.551 -8.742 9.516 1.00 0.00 C ATOM 0 H THR A 484 7.346 -5.053 8.621 1.00 0.00 H new ATOM 0 HA THR A 484 9.644 -6.104 9.718 1.00 0.00 H new ATOM 0 HB THR A 484 7.145 -7.420 8.603 1.00 0.00 H new ATOM 0 HG1 THR A 484 6.890 -6.095 10.480 1.00 0.00 H new ATOM 0 HG21 THR A 484 7.791 -9.448 9.849 1.00 0.00 H new ATOM 0 HG22 THR A 484 8.956 -9.070 8.559 1.00 0.00 H new ATOM 0 HG23 THR A 484 9.353 -8.697 10.253 1.00 0.00 H new ATOM 599 N PHE A 485 9.226 -6.918 6.546 1.00 0.00 N ATOM 600 CA PHE A 485 9.898 -7.467 5.373 1.00 0.00 C ATOM 601 C PHE A 485 11.079 -6.593 4.964 1.00 0.00 C ATOM 602 O PHE A 485 12.150 -7.096 4.626 1.00 0.00 O ATOM 603 CB PHE A 485 8.914 -7.592 4.208 1.00 0.00 C ATOM 604 CG PHE A 485 7.847 -8.625 4.432 1.00 0.00 C ATOM 605 CD1 PHE A 485 6.656 -8.286 5.055 1.00 0.00 C ATOM 606 CD2 PHE A 485 8.033 -9.934 4.020 1.00 0.00 C ATOM 607 CE1 PHE A 485 5.673 -9.235 5.264 1.00 0.00 C ATOM 608 CE2 PHE A 485 7.054 -10.887 4.225 1.00 0.00 C ATOM 609 CZ PHE A 485 5.871 -10.537 4.847 1.00 0.00 C ATOM 0 H PHE A 485 8.306 -6.521 6.358 1.00 0.00 H new ATOM 0 HA PHE A 485 10.274 -8.457 5.631 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.442 -6.625 4.037 1.00 0.00 H new ATOM 0 HB3 PHE A 485 9.466 -7.842 3.302 1.00 0.00 H new ATOM 0 HD1 PHE A 485 6.494 -7.269 5.381 1.00 0.00 H new ATOM 0 HD2 PHE A 485 8.955 -10.213 3.532 1.00 0.00 H new ATOM 0 HE1 PHE A 485 4.751 -8.959 5.753 1.00 0.00 H new ATOM 0 HE2 PHE A 485 7.213 -11.904 3.899 1.00 0.00 H new ATOM 0 HZ PHE A 485 5.103 -11.279 5.007 1.00 0.00 H new ATOM 619 N GLY A 486 10.876 -5.279 4.998 1.00 0.00 N ATOM 620 CA GLY A 486 11.932 -4.355 4.628 1.00 0.00 C ATOM 621 C GLY A 486 11.612 -2.924 5.012 1.00 0.00 C ATOM 622 O GLY A 486 10.481 -2.615 5.387 1.00 0.00 O ATOM 0 H GLY A 486 9.999 -4.838 5.275 1.00 0.00 H new ATOM 0 HA2 GLY A 486 12.861 -4.658 5.111 1.00 0.00 H new ATOM 0 HA3 GLY A 486 12.099 -4.411 3.552 1.00 0.00 H new ATOM 626 N GLU A 487 12.609 -2.051 4.920 1.00 0.00 N ATOM 627 CA GLU A 487 12.427 -0.645 5.263 1.00 0.00 C ATOM 628 C GLU A 487 11.359 -0.004 4.382 1.00 0.00 C ATOM 629 O GLU A 487 11.308 -0.244 3.175 1.00 0.00 O ATOM 630 CB GLU A 487 13.748 0.114 5.117 1.00 0.00 C ATOM 631 CG GLU A 487 13.688 1.543 5.628 1.00 0.00 C ATOM 632 CD GLU A 487 15.051 2.080 6.020 1.00 0.00 C ATOM 633 OE1 GLU A 487 16.038 1.755 5.326 1.00 0.00 O ATOM 634 OE2 GLU A 487 15.131 2.824 7.020 1.00 0.00 O ATOM 0 H GLU A 487 13.551 -2.292 4.611 1.00 0.00 H new ATOM 0 HA GLU A 487 12.098 -0.590 6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 487 14.528 -0.424 5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 487 14.037 0.125 4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 487 13.257 2.183 4.858 1.00 0.00 H new ATOM 0 HG3 GLU A 487 13.022 1.589 6.490 1.00 0.00 H new ATOM 641 N LEU A 488 10.508 0.812 4.994 1.00 0.00 N ATOM 642 CA LEU A 488 9.439 1.488 4.267 1.00 0.00 C ATOM 643 C LEU A 488 9.787 2.954 4.027 1.00 0.00 C ATOM 644 O LEU A 488 10.570 3.547 4.769 1.00 0.00 O ATOM 645 CB LEU A 488 8.124 1.384 5.041 1.00 0.00 C ATOM 646 CG LEU A 488 7.594 -0.030 5.277 1.00 0.00 C ATOM 647 CD1 LEU A 488 6.341 0.006 6.138 1.00 0.00 C ATOM 648 CD2 LEU A 488 7.312 -0.723 3.952 1.00 0.00 C ATOM 0 H LEU A 488 10.537 1.022 5.992 1.00 0.00 H new ATOM 0 HA LEU A 488 9.324 0.998 3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 488 8.256 1.867 6.009 1.00 0.00 H new ATOM 0 HB3 LEU A 488 7.364 1.950 4.503 1.00 0.00 H new ATOM 0 HG LEU A 488 8.358 -0.599 5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 488 5.978 -1.010 6.295 1.00 0.00 H new ATOM 0 HD12 LEU A 488 6.574 0.461 7.101 1.00 0.00 H new ATOM 0 HD13 LEU A 488 5.571 0.592 5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 488 6.935 -1.728 4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 488 6.567 -0.155 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 488 8.232 -0.783 3.370 1.00 0.00 H new ATOM 660 N LYS A 489 9.198 3.533 2.986 1.00 0.00 N ATOM 661 CA LYS A 489 9.442 4.931 2.649 1.00 0.00 C ATOM 662 C LYS A 489 8.509 5.850 3.431 1.00 0.00 C ATOM 663 O LYS A 489 8.943 6.848 4.008 1.00 0.00 O ATOM 664 CB LYS A 489 9.255 5.155 1.147 1.00 0.00 C ATOM 665 CG LYS A 489 10.517 4.921 0.335 1.00 0.00 C ATOM 666 CD LYS A 489 10.490 5.694 -0.973 1.00 0.00 C ATOM 667 CE LYS A 489 11.837 5.647 -1.676 1.00 0.00 C ATOM 668 NZ LYS A 489 11.719 5.976 -3.124 1.00 0.00 N ATOM 0 H LYS A 489 8.548 3.056 2.361 1.00 0.00 H new ATOM 0 HA LYS A 489 10.470 5.170 2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 489 8.471 4.490 0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 489 8.910 6.175 0.981 1.00 0.00 H new ATOM 0 HG2 LYS A 489 11.387 5.222 0.919 1.00 0.00 H new ATOM 0 HG3 LYS A 489 10.625 3.856 0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 489 9.723 5.279 -1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 489 10.216 6.731 -0.778 1.00 0.00 H new ATOM 0 HE2 LYS A 489 12.520 6.349 -1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 489 12.271 4.653 -1.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 489 12.659 5.933 -3.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 489 11.087 5.291 -3.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 489 11.329 6.934 -3.232 1.00 0.00 H new ATOM 682 N THR A 490 7.225 5.507 3.448 1.00 0.00 N ATOM 683 CA THR A 490 6.231 6.301 4.160 1.00 0.00 C ATOM 684 C THR A 490 4.876 5.603 4.170 1.00 0.00 C ATOM 685 O THR A 490 4.410 5.113 3.141 1.00 0.00 O ATOM 686 CB THR A 490 6.072 7.697 3.530 1.00 0.00 C ATOM 687 OG1 THR A 490 5.190 8.496 4.326 1.00 0.00 O ATOM 688 CG2 THR A 490 5.530 7.594 2.112 1.00 0.00 C ATOM 0 H THR A 490 6.849 4.684 2.977 1.00 0.00 H new ATOM 0 HA THR A 490 6.588 6.411 5.184 1.00 0.00 H new ATOM 0 HB THR A 490 7.054 8.168 3.493 1.00 0.00 H new ATOM 0 HG1 THR A 490 5.096 9.383 3.920 1.00 0.00 H new ATOM 0 HG21 THR A 490 5.427 8.593 1.689 1.00 0.00 H new ATOM 0 HG22 THR A 490 6.218 7.010 1.501 1.00 0.00 H new ATOM 0 HG23 THR A 490 4.556 7.105 2.129 1.00 0.00 H new ATOM 696 N VAL A 491 4.245 5.563 5.340 1.00 0.00 N ATOM 697 CA VAL A 491 2.941 4.927 5.484 1.00 0.00 C ATOM 698 C VAL A 491 1.828 5.966 5.558 1.00 0.00 C ATOM 699 O VAL A 491 1.782 6.776 6.484 1.00 0.00 O ATOM 700 CB VAL A 491 2.885 4.040 6.742 1.00 0.00 C ATOM 701 CG1 VAL A 491 1.482 3.489 6.945 1.00 0.00 C ATOM 702 CG2 VAL A 491 3.901 2.912 6.643 1.00 0.00 C ATOM 0 H VAL A 491 4.616 5.964 6.201 1.00 0.00 H new ATOM 0 HA VAL A 491 2.794 4.303 4.602 1.00 0.00 H new ATOM 0 HB VAL A 491 3.138 4.651 7.608 1.00 0.00 H new ATOM 0 HG11 VAL A 491 1.462 2.865 7.838 1.00 0.00 H new ATOM 0 HG12 VAL A 491 0.780 4.315 7.063 1.00 0.00 H new ATOM 0 HG13 VAL A 491 1.197 2.892 6.079 1.00 0.00 H new ATOM 0 HG21 VAL A 491 3.848 2.295 7.540 1.00 0.00 H new ATOM 0 HG22 VAL A 491 3.681 2.300 5.768 1.00 0.00 H new ATOM 0 HG23 VAL A 491 4.903 3.332 6.550 1.00 0.00 H new ATOM 712 N ARG A 492 0.932 5.937 4.577 1.00 0.00 N ATOM 713 CA ARG A 492 -0.181 6.877 4.531 1.00 0.00 C ATOM 714 C ARG A 492 -1.492 6.186 4.894 1.00 0.00 C ATOM 715 O ARG A 492 -1.926 5.257 4.211 1.00 0.00 O ATOM 716 CB ARG A 492 -0.290 7.503 3.140 1.00 0.00 C ATOM 717 CG ARG A 492 0.653 8.676 2.924 1.00 0.00 C ATOM 718 CD ARG A 492 0.464 9.297 1.549 1.00 0.00 C ATOM 719 NE ARG A 492 -0.700 10.178 1.502 1.00 0.00 N ATOM 720 CZ ARG A 492 -0.986 10.963 0.469 1.00 0.00 C ATOM 721 NH1 ARG A 492 -0.198 10.976 -0.597 1.00 0.00 N ATOM 722 NH2 ARG A 492 -2.064 11.737 0.501 1.00 0.00 N ATOM 0 H ARG A 492 0.955 5.273 3.803 1.00 0.00 H new ATOM 0 HA ARG A 492 0.010 7.663 5.262 1.00 0.00 H new ATOM 0 HB2 ARG A 492 -0.084 6.739 2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 492 -1.315 7.838 2.981 1.00 0.00 H new ATOM 0 HG2 ARG A 492 0.479 9.430 3.692 1.00 0.00 H new ATOM 0 HG3 ARG A 492 1.684 8.340 3.034 1.00 0.00 H new ATOM 0 HD2 ARG A 492 1.357 9.861 1.280 1.00 0.00 H new ATOM 0 HD3 ARG A 492 0.351 8.507 0.807 1.00 0.00 H new ATOM 0 HE ARG A 492 -1.327 10.191 2.306 1.00 0.00 H new ATOM 0 HH11 ARG A 492 0.631 10.382 -0.626 1.00 0.00 H new ATOM 0 HH12 ARG A 492 -0.421 11.580 -1.388 1.00 0.00 H new ATOM 0 HH21 ARG A 492 -2.673 11.729 1.319 1.00 0.00 H new ATOM 0 HH22 ARG A 492 -2.283 12.339 -0.292 1.00 0.00 H new ATOM 736 N LEU A 493 -2.118 6.644 5.972 1.00 0.00 N ATOM 737 CA LEU A 493 -3.380 6.069 6.426 1.00 0.00 C ATOM 738 C LEU A 493 -4.371 7.164 6.807 1.00 0.00 C ATOM 739 O LEU A 493 -4.008 8.195 7.372 1.00 0.00 O ATOM 740 CB LEU A 493 -3.141 5.144 7.621 1.00 0.00 C ATOM 741 CG LEU A 493 -2.855 3.679 7.289 1.00 0.00 C ATOM 742 CD1 LEU A 493 -1.361 3.452 7.119 1.00 0.00 C ATOM 743 CD2 LEU A 493 -3.415 2.768 8.372 1.00 0.00 C ATOM 0 H LEU A 493 -1.773 7.412 6.548 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.803 5.490 5.605 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.302 5.536 8.196 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -4.018 5.185 8.268 1.00 0.00 H new ATOM 0 HG LEU A 493 -3.348 3.437 6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.177 2.404 6.883 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -0.988 4.077 6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -0.846 3.712 8.044 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -3.202 1.729 8.119 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.951 3.011 9.328 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -4.493 2.910 8.445 1.00 0.00 H new ATOM 899 N ARG A 504 -11.452 3.890 7.668 1.00 0.00 N ATOM 900 CA ARG A 504 -11.897 2.740 6.890 1.00 0.00 C ATOM 901 C ARG A 504 -10.740 1.780 6.629 1.00 0.00 C ATOM 902 O ARG A 504 -9.581 2.104 6.883 1.00 0.00 O ATOM 903 CB ARG A 504 -12.501 3.200 5.562 1.00 0.00 C ATOM 904 CG ARG A 504 -13.818 3.944 5.717 1.00 0.00 C ATOM 905 CD ARG A 504 -14.565 4.034 4.395 1.00 0.00 C ATOM 906 NE ARG A 504 -15.319 2.816 4.108 1.00 0.00 N ATOM 907 CZ ARG A 504 -15.986 2.615 2.977 1.00 0.00 C ATOM 908 NH1 ARG A 504 -15.993 3.545 2.033 1.00 0.00 N ATOM 909 NH2 ARG A 504 -16.648 1.480 2.790 1.00 0.00 N ATOM 0 HA ARG A 504 -12.659 2.215 7.466 1.00 0.00 H new ATOM 0 HB2 ARG A 504 -11.786 3.846 5.052 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -12.657 2.331 4.923 1.00 0.00 H new ATOM 0 HG2 ARG A 504 -14.440 3.436 6.454 1.00 0.00 H new ATOM 0 HG3 ARG A 504 -13.628 4.947 6.098 1.00 0.00 H new ATOM 0 HD2 ARG A 504 -15.246 4.884 4.421 1.00 0.00 H new ATOM 0 HD3 ARG A 504 -13.855 4.219 3.589 1.00 0.00 H new ATOM 0 HE ARG A 504 -15.334 2.080 4.814 1.00 0.00 H new ATOM 0 HH11 ARG A 504 -15.485 4.418 2.174 1.00 0.00 H new ATOM 0 HH12 ARG A 504 -16.506 3.387 1.166 1.00 0.00 H new ATOM 0 HH21 ARG A 504 -16.645 0.762 3.515 1.00 0.00 H new ATOM 0 HH22 ARG A 504 -17.160 1.326 1.922 1.00 0.00 H new ATOM 923 N GLY A 505 -11.065 0.594 6.121 1.00 0.00 N ATOM 924 CA GLY A 505 -10.043 -0.395 5.835 1.00 0.00 C ATOM 925 C GLY A 505 -9.305 -0.110 4.543 1.00 0.00 C ATOM 926 O GLY A 505 -9.544 -0.761 3.525 1.00 0.00 O ATOM 0 H GLY A 505 -12.018 0.302 5.903 1.00 0.00 H new ATOM 0 HA2 GLY A 505 -9.329 -0.424 6.658 1.00 0.00 H new ATOM 0 HA3 GLY A 505 -10.503 -1.382 5.777 1.00 0.00 H new ATOM 930 N PHE A 506 -8.405 0.867 4.580 1.00 0.00 N ATOM 931 CA PHE A 506 -7.631 1.240 3.402 1.00 0.00 C ATOM 932 C PHE A 506 -6.401 2.053 3.793 1.00 0.00 C ATOM 933 O PHE A 506 -6.461 2.900 4.684 1.00 0.00 O ATOM 934 CB PHE A 506 -8.498 2.042 2.429 1.00 0.00 C ATOM 935 CG PHE A 506 -7.715 3.006 1.583 1.00 0.00 C ATOM 936 CD1 PHE A 506 -7.141 4.134 2.146 1.00 0.00 C ATOM 937 CD2 PHE A 506 -7.555 2.784 0.225 1.00 0.00 C ATOM 938 CE1 PHE A 506 -6.420 5.022 1.371 1.00 0.00 C ATOM 939 CE2 PHE A 506 -6.834 3.668 -0.555 1.00 0.00 C ATOM 940 CZ PHE A 506 -6.267 4.790 0.018 1.00 0.00 C ATOM 0 H PHE A 506 -8.194 1.415 5.414 1.00 0.00 H new ATOM 0 HA PHE A 506 -7.298 0.325 2.913 1.00 0.00 H new ATOM 0 HB2 PHE A 506 -9.033 1.351 1.778 1.00 0.00 H new ATOM 0 HB3 PHE A 506 -9.249 2.594 2.994 1.00 0.00 H new ATOM 0 HD1 PHE A 506 -7.258 4.322 3.203 1.00 0.00 H new ATOM 0 HD2 PHE A 506 -7.999 1.910 -0.229 1.00 0.00 H new ATOM 0 HE1 PHE A 506 -5.976 5.897 1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 506 -6.714 3.482 -1.612 1.00 0.00 H new ATOM 0 HZ PHE A 506 -5.706 5.484 -0.590 1.00 0.00 H new ATOM 950 N GLY A 507 -5.285 1.788 3.121 1.00 0.00 N ATOM 951 CA GLY A 507 -4.055 2.502 3.413 1.00 0.00 C ATOM 952 C GLY A 507 -2.990 2.277 2.358 1.00 0.00 C ATOM 953 O GLY A 507 -3.012 1.273 1.647 1.00 0.00 O ATOM 0 H GLY A 507 -5.210 1.092 2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -4.267 3.568 3.489 1.00 0.00 H new ATOM 0 HA3 GLY A 507 -3.674 2.182 4.383 1.00 0.00 H new ATOM 957 N PHE A 508 -2.055 3.216 2.255 1.00 0.00 N ATOM 958 CA PHE A 508 -0.978 3.118 1.277 1.00 0.00 C ATOM 959 C PHE A 508 0.346 2.785 1.958 1.00 0.00 C ATOM 960 O PHE A 508 0.645 3.290 3.040 1.00 0.00 O ATOM 961 CB PHE A 508 -0.848 4.427 0.497 1.00 0.00 C ATOM 962 CG PHE A 508 -1.687 4.469 -0.748 1.00 0.00 C ATOM 963 CD1 PHE A 508 -2.964 3.931 -0.757 1.00 0.00 C ATOM 964 CD2 PHE A 508 -1.199 5.048 -1.909 1.00 0.00 C ATOM 965 CE1 PHE A 508 -3.737 3.967 -1.902 1.00 0.00 C ATOM 966 CE2 PHE A 508 -1.969 5.087 -3.057 1.00 0.00 C ATOM 967 CZ PHE A 508 -3.240 4.547 -3.053 1.00 0.00 C ATOM 0 H PHE A 508 -2.022 4.053 2.837 1.00 0.00 H new ATOM 0 HA PHE A 508 -1.223 2.313 0.584 1.00 0.00 H new ATOM 0 HB2 PHE A 508 -1.132 5.256 1.145 1.00 0.00 H new ATOM 0 HB3 PHE A 508 0.197 4.577 0.226 1.00 0.00 H new ATOM 0 HD1 PHE A 508 -3.359 3.479 0.140 1.00 0.00 H new ATOM 0 HD2 PHE A 508 -0.206 5.473 -1.917 1.00 0.00 H new ATOM 0 HE1 PHE A 508 -4.730 3.542 -1.897 1.00 0.00 H new ATOM 0 HE2 PHE A 508 -1.577 5.539 -3.956 1.00 0.00 H new ATOM 0 HZ PHE A 508 -3.844 4.578 -3.948 1.00 0.00 H new ATOM 977 N VAL A 509 1.136 1.929 1.317 1.00 0.00 N ATOM 978 CA VAL A 509 2.429 1.528 1.860 1.00 0.00 C ATOM 979 C VAL A 509 3.520 1.613 0.799 1.00 0.00 C ATOM 980 O VAL A 509 3.367 1.096 -0.307 1.00 0.00 O ATOM 981 CB VAL A 509 2.382 0.094 2.418 1.00 0.00 C ATOM 982 CG1 VAL A 509 3.740 -0.307 2.975 1.00 0.00 C ATOM 983 CG2 VAL A 509 1.303 -0.028 3.484 1.00 0.00 C ATOM 0 H VAL A 509 0.903 1.500 0.421 1.00 0.00 H new ATOM 0 HA VAL A 509 2.660 2.218 2.671 1.00 0.00 H new ATOM 0 HB VAL A 509 2.134 -0.586 1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 509 3.688 -1.323 3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 509 4.487 -0.261 2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 509 4.020 0.375 3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 509 1.284 -1.048 3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 509 1.518 0.662 4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 509 0.333 0.214 3.049 1.00 0.00 H new ATOM 993 N ASP A 510 4.623 2.270 1.144 1.00 0.00 N ATOM 994 CA ASP A 510 5.742 2.422 0.222 1.00 0.00 C ATOM 995 C ASP A 510 6.991 1.735 0.766 1.00 0.00 C ATOM 996 O ASP A 510 7.213 1.695 1.976 1.00 0.00 O ATOM 997 CB ASP A 510 6.027 3.903 -0.028 1.00 0.00 C ATOM 998 CG ASP A 510 4.826 4.638 -0.588 1.00 0.00 C ATOM 999 OD1 ASP A 510 3.829 4.793 0.148 1.00 0.00 O ATOM 1000 OD2 ASP A 510 4.881 5.057 -1.763 1.00 0.00 O ATOM 0 H ASP A 510 4.765 2.705 2.055 1.00 0.00 H new ATOM 0 HA ASP A 510 5.471 1.949 -0.722 1.00 0.00 H new ATOM 0 HB2 ASP A 510 6.334 4.373 0.906 1.00 0.00 H new ATOM 0 HB3 ASP A 510 6.862 3.997 -0.722 1.00 0.00 H new ATOM 1005 N PHE A 511 7.803 1.194 -0.137 1.00 0.00 N ATOM 1006 CA PHE A 511 9.029 0.507 0.252 1.00 0.00 C ATOM 1007 C PHE A 511 10.251 1.191 -0.353 1.00 0.00 C ATOM 1008 O PHE A 511 10.219 1.643 -1.498 1.00 0.00 O ATOM 1009 CB PHE A 511 8.979 -0.958 -0.189 1.00 0.00 C ATOM 1010 CG PHE A 511 8.378 -1.873 0.839 1.00 0.00 C ATOM 1011 CD1 PHE A 511 7.004 -2.042 0.916 1.00 0.00 C ATOM 1012 CD2 PHE A 511 9.185 -2.565 1.728 1.00 0.00 C ATOM 1013 CE1 PHE A 511 6.448 -2.883 1.861 1.00 0.00 C ATOM 1014 CE2 PHE A 511 8.634 -3.407 2.675 1.00 0.00 C ATOM 1015 CZ PHE A 511 7.264 -3.568 2.741 1.00 0.00 C ATOM 0 H PHE A 511 7.634 1.218 -1.143 1.00 0.00 H new ATOM 0 HA PHE A 511 9.112 0.550 1.338 1.00 0.00 H new ATOM 0 HB2 PHE A 511 8.403 -1.032 -1.111 1.00 0.00 H new ATOM 0 HB3 PHE A 511 9.990 -1.295 -0.417 1.00 0.00 H new ATOM 0 HD1 PHE A 511 6.361 -1.511 0.230 1.00 0.00 H new ATOM 0 HD2 PHE A 511 10.257 -2.445 1.680 1.00 0.00 H new ATOM 0 HE1 PHE A 511 5.376 -3.005 1.912 1.00 0.00 H new ATOM 0 HE2 PHE A 511 9.274 -3.939 3.363 1.00 0.00 H new ATOM 0 HZ PHE A 511 6.831 -4.228 3.479 1.00 0.00 H new ATOM 1025 N ILE A 512 11.327 1.263 0.424 1.00 0.00 N ATOM 1026 CA ILE A 512 12.559 1.891 -0.034 1.00 0.00 C ATOM 1027 C ILE A 512 12.967 1.364 -1.407 1.00 0.00 C ATOM 1028 O ILE A 512 13.407 2.124 -2.270 1.00 0.00 O ATOM 1029 CB ILE A 512 13.714 1.655 0.957 1.00 0.00 C ATOM 1030 CG1 ILE A 512 13.325 2.145 2.353 1.00 0.00 C ATOM 1031 CG2 ILE A 512 14.976 2.354 0.476 1.00 0.00 C ATOM 1032 CD1 ILE A 512 12.994 3.621 2.404 1.00 0.00 C ATOM 0 H ILE A 512 11.370 0.894 1.374 1.00 0.00 H new ATOM 0 HA ILE A 512 12.362 2.961 -0.101 1.00 0.00 H new ATOM 0 HB ILE A 512 13.914 0.585 1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 512 12.464 1.575 2.703 1.00 0.00 H new ATOM 0 HG13 ILE A 512 14.144 1.940 3.043 1.00 0.00 H new ATOM 0 HG21 ILE A 512 15.783 2.178 1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 512 15.260 1.961 -0.500 1.00 0.00 H new ATOM 0 HG23 ILE A 512 14.791 3.425 0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 512 12.727 3.899 3.424 1.00 0.00 H new ATOM 0 HD12 ILE A 512 13.861 4.200 2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 512 12.155 3.829 1.740 1.00 0.00 H new ATOM 1044 N THR A 513 12.816 0.058 -1.602 1.00 0.00 N ATOM 1045 CA THR A 513 13.167 -0.570 -2.869 1.00 0.00 C ATOM 1046 C THR A 513 12.006 -1.395 -3.414 1.00 0.00 C ATOM 1047 O THR A 513 11.195 -1.923 -2.653 1.00 0.00 O ATOM 1048 CB THR A 513 14.403 -1.478 -2.723 1.00 0.00 C ATOM 1049 OG1 THR A 513 14.195 -2.422 -1.667 1.00 0.00 O ATOM 1050 CG2 THR A 513 15.648 -0.654 -2.435 1.00 0.00 C ATOM 0 H THR A 513 12.453 -0.585 -0.899 1.00 0.00 H new ATOM 0 HA THR A 513 13.397 0.235 -3.567 1.00 0.00 H new ATOM 0 HB THR A 513 14.548 -2.011 -3.663 1.00 0.00 H new ATOM 0 HG1 THR A 513 14.984 -2.996 -1.582 1.00 0.00 H new ATOM 0 HG21 THR A 513 16.508 -1.316 -2.336 1.00 0.00 H new ATOM 0 HG22 THR A 513 15.820 0.044 -3.254 1.00 0.00 H new ATOM 0 HG23 THR A 513 15.510 -0.098 -1.508 1.00 0.00 H new ATOM 1058 N LYS A 514 11.933 -1.504 -4.736 1.00 0.00 N ATOM 1059 CA LYS A 514 10.873 -2.266 -5.384 1.00 0.00 C ATOM 1060 C LYS A 514 10.927 -3.734 -4.971 1.00 0.00 C ATOM 1061 O LYS A 514 9.910 -4.322 -4.604 1.00 0.00 O ATOM 1062 CB LYS A 514 10.989 -2.150 -6.906 1.00 0.00 C ATOM 1063 CG LYS A 514 9.967 -2.983 -7.660 1.00 0.00 C ATOM 1064 CD LYS A 514 10.194 -2.920 -9.161 1.00 0.00 C ATOM 1065 CE LYS A 514 11.233 -3.935 -9.611 1.00 0.00 C ATOM 1066 NZ LYS A 514 12.615 -3.507 -9.261 1.00 0.00 N ATOM 0 H LYS A 514 12.596 -1.074 -5.380 1.00 0.00 H new ATOM 0 HA LYS A 514 9.916 -1.851 -5.066 1.00 0.00 H new ATOM 0 HB2 LYS A 514 10.875 -1.104 -7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 514 11.990 -2.456 -7.210 1.00 0.00 H new ATOM 0 HG2 LYS A 514 10.023 -4.019 -7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 514 8.963 -2.627 -7.428 1.00 0.00 H new ATOM 0 HD2 LYS A 514 9.254 -3.106 -9.680 1.00 0.00 H new ATOM 0 HD3 LYS A 514 10.519 -1.917 -9.439 1.00 0.00 H new ATOM 0 HE2 LYS A 514 11.023 -4.899 -9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 514 11.159 -4.077 -10.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 514 13.259 -3.738 -10.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 514 12.629 -2.481 -9.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 514 12.924 -4.002 -8.401 1.00 0.00 H new ATOM 1080 N GLN A 515 12.120 -4.317 -5.030 1.00 0.00 N ATOM 1081 CA GLN A 515 12.305 -5.715 -4.661 1.00 0.00 C ATOM 1082 C GLN A 515 11.540 -6.047 -3.384 1.00 0.00 C ATOM 1083 O GLN A 515 10.908 -7.098 -3.283 1.00 0.00 O ATOM 1084 CB GLN A 515 13.792 -6.022 -4.473 1.00 0.00 C ATOM 1085 CG GLN A 515 14.636 -5.719 -5.701 1.00 0.00 C ATOM 1086 CD GLN A 515 16.122 -5.734 -5.406 1.00 0.00 C ATOM 1087 OE1 GLN A 515 16.807 -4.722 -5.555 1.00 0.00 O ATOM 1088 NE2 GLN A 515 16.631 -6.886 -4.984 1.00 0.00 N ATOM 0 H GLN A 515 12.972 -3.843 -5.330 1.00 0.00 H new ATOM 0 HA GLN A 515 11.913 -6.333 -5.469 1.00 0.00 H new ATOM 0 HB2 GLN A 515 14.170 -5.443 -3.631 1.00 0.00 H new ATOM 0 HB3 GLN A 515 13.907 -7.074 -4.214 1.00 0.00 H new ATOM 0 HG2 GLN A 515 14.416 -6.451 -6.478 1.00 0.00 H new ATOM 0 HG3 GLN A 515 14.358 -4.742 -6.096 1.00 0.00 H new ATOM 0 HE21 GLN A 515 16.027 -7.701 -4.874 1.00 0.00 H new ATOM 0 HE22 GLN A 515 17.626 -6.956 -4.770 1.00 0.00 H new ATOM 1097 N ASP A 516 11.603 -5.144 -2.411 1.00 0.00 N ATOM 1098 CA ASP A 516 10.915 -5.340 -1.141 1.00 0.00 C ATOM 1099 C ASP A 516 9.402 -5.272 -1.325 1.00 0.00 C ATOM 1100 O ASP A 516 8.667 -6.122 -0.822 1.00 0.00 O ATOM 1101 CB ASP A 516 11.365 -4.288 -0.125 1.00 0.00 C ATOM 1102 CG ASP A 516 12.694 -4.634 0.516 1.00 0.00 C ATOM 1103 OD1 ASP A 516 12.958 -5.837 0.725 1.00 0.00 O ATOM 1104 OD2 ASP A 516 13.472 -3.702 0.808 1.00 0.00 O ATOM 0 H ASP A 516 12.124 -4.269 -2.478 1.00 0.00 H new ATOM 0 HA ASP A 516 11.173 -6.331 -0.766 1.00 0.00 H new ATOM 0 HB2 ASP A 516 11.445 -3.320 -0.620 1.00 0.00 H new ATOM 0 HB3 ASP A 516 10.606 -4.188 0.651 1.00 0.00 H new ATOM 1109 N ALA A 517 8.944 -4.256 -2.049 1.00 0.00 N ATOM 1110 CA ALA A 517 7.519 -4.078 -2.300 1.00 0.00 C ATOM 1111 C ALA A 517 6.877 -5.381 -2.765 1.00 0.00 C ATOM 1112 O ALA A 517 5.889 -5.838 -2.190 1.00 0.00 O ATOM 1113 CB ALA A 517 7.298 -2.982 -3.332 1.00 0.00 C ATOM 0 H ALA A 517 9.539 -3.544 -2.472 1.00 0.00 H new ATOM 0 HA ALA A 517 7.044 -3.783 -1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 517 6.230 -2.860 -3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 517 7.714 -2.045 -2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 517 7.792 -3.255 -4.264 1.00 0.00 H new ATOM 1119 N LYS A 518 7.444 -5.976 -3.809 1.00 0.00 N ATOM 1120 CA LYS A 518 6.928 -7.227 -4.351 1.00 0.00 C ATOM 1121 C LYS A 518 7.030 -8.348 -3.322 1.00 0.00 C ATOM 1122 O LYS A 518 6.089 -9.120 -3.135 1.00 0.00 O ATOM 1123 CB LYS A 518 7.695 -7.612 -5.618 1.00 0.00 C ATOM 1124 CG LYS A 518 7.460 -6.665 -6.783 1.00 0.00 C ATOM 1125 CD LYS A 518 6.138 -6.950 -7.476 1.00 0.00 C ATOM 1126 CE LYS A 518 6.289 -8.021 -8.545 1.00 0.00 C ATOM 1127 NZ LYS A 518 6.971 -7.498 -9.761 1.00 0.00 N ATOM 0 H LYS A 518 8.262 -5.611 -4.297 1.00 0.00 H new ATOM 0 HA LYS A 518 5.877 -7.081 -4.600 1.00 0.00 H new ATOM 0 HB2 LYS A 518 8.761 -7.640 -5.393 1.00 0.00 H new ATOM 0 HB3 LYS A 518 7.406 -8.620 -5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 518 7.469 -5.636 -6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 518 8.275 -6.760 -7.500 1.00 0.00 H new ATOM 0 HD2 LYS A 518 5.402 -7.271 -6.739 1.00 0.00 H new ATOM 0 HD3 LYS A 518 5.758 -6.034 -7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 518 6.858 -8.859 -8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 518 5.305 -8.404 -8.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 6.861 -8.178 -10.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 6.546 -6.588 -10.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 7.982 -7.362 -9.560 1.00 0.00 H new ATOM 1141 N LYS A 519 8.176 -8.433 -2.657 1.00 0.00 N ATOM 1142 CA LYS A 519 8.401 -9.458 -1.645 1.00 0.00 C ATOM 1143 C LYS A 519 7.309 -9.420 -0.580 1.00 0.00 C ATOM 1144 O LYS A 519 6.615 -10.410 -0.354 1.00 0.00 O ATOM 1145 CB LYS A 519 9.771 -9.268 -0.992 1.00 0.00 C ATOM 1146 CG LYS A 519 10.896 -9.985 -1.718 1.00 0.00 C ATOM 1147 CD LYS A 519 12.258 -9.569 -1.188 1.00 0.00 C ATOM 1148 CE LYS A 519 12.416 -9.928 0.282 1.00 0.00 C ATOM 1149 NZ LYS A 519 11.849 -8.878 1.173 1.00 0.00 N ATOM 0 H LYS A 519 8.965 -7.803 -2.801 1.00 0.00 H new ATOM 0 HA LYS A 519 8.372 -10.430 -2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 519 9.999 -8.203 -0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 519 9.727 -9.627 0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 519 10.774 -11.062 -1.605 1.00 0.00 H new ATOM 0 HG3 LYS A 519 10.838 -9.768 -2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 519 13.041 -10.057 -1.769 1.00 0.00 H new ATOM 0 HD3 LYS A 519 12.388 -8.495 -1.317 1.00 0.00 H new ATOM 0 HE2 LYS A 519 11.920 -10.878 0.479 1.00 0.00 H new ATOM 0 HE3 LYS A 519 13.473 -10.067 0.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 12.572 -8.575 1.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 11.550 -8.062 0.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 11.029 -9.262 1.684 1.00 0.00 H new ATOM 1163 N ALA A 520 7.162 -8.269 0.069 1.00 0.00 N ATOM 1164 CA ALA A 520 6.153 -8.101 1.107 1.00 0.00 C ATOM 1165 C ALA A 520 4.747 -8.251 0.535 1.00 0.00 C ATOM 1166 O ALA A 520 3.926 -8.999 1.066 1.00 0.00 O ATOM 1167 CB ALA A 520 6.309 -6.746 1.781 1.00 0.00 C ATOM 0 H ALA A 520 7.729 -7.440 -0.106 1.00 0.00 H new ATOM 0 HA ALA A 520 6.300 -8.883 1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 520 5.549 -6.634 2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 520 7.299 -6.676 2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 520 6.192 -5.955 1.040 1.00 0.00 H new ATOM 1173 N PHE A 521 4.476 -7.534 -0.551 1.00 0.00 N ATOM 1174 CA PHE A 521 3.168 -7.586 -1.194 1.00 0.00 C ATOM 1175 C PHE A 521 2.689 -9.028 -1.337 1.00 0.00 C ATOM 1176 O PHE A 521 1.689 -9.423 -0.740 1.00 0.00 O ATOM 1177 CB PHE A 521 3.225 -6.917 -2.569 1.00 0.00 C ATOM 1178 CG PHE A 521 1.932 -6.996 -3.328 1.00 0.00 C ATOM 1179 CD1 PHE A 521 1.632 -8.107 -4.099 1.00 0.00 C ATOM 1180 CD2 PHE A 521 1.015 -5.958 -3.270 1.00 0.00 C ATOM 1181 CE1 PHE A 521 0.443 -8.181 -4.799 1.00 0.00 C ATOM 1182 CE2 PHE A 521 -0.176 -6.027 -3.968 1.00 0.00 C ATOM 1183 CZ PHE A 521 -0.463 -7.140 -4.733 1.00 0.00 C ATOM 0 H PHE A 521 5.144 -6.911 -1.004 1.00 0.00 H new ATOM 0 HA PHE A 521 2.460 -7.047 -0.564 1.00 0.00 H new ATOM 0 HB2 PHE A 521 3.500 -5.870 -2.443 1.00 0.00 H new ATOM 0 HB3 PHE A 521 4.013 -7.385 -3.159 1.00 0.00 H new ATOM 0 HD1 PHE A 521 2.335 -8.925 -4.154 1.00 0.00 H new ATOM 0 HD2 PHE A 521 1.234 -5.085 -2.673 1.00 0.00 H new ATOM 0 HE1 PHE A 521 0.222 -9.052 -5.398 1.00 0.00 H new ATOM 0 HE2 PHE A 521 -0.882 -5.211 -3.915 1.00 0.00 H new ATOM 0 HZ PHE A 521 -1.393 -7.197 -5.278 1.00 0.00 H new ATOM 1193 N ASN A 522 3.411 -9.809 -2.134 1.00 0.00 N ATOM 1194 CA ASN A 522 3.061 -11.207 -2.357 1.00 0.00 C ATOM 1195 C ASN A 522 3.047 -11.981 -1.042 1.00 0.00 C ATOM 1196 O ASN A 522 2.142 -12.773 -0.786 1.00 0.00 O ATOM 1197 CB ASN A 522 4.047 -11.852 -3.332 1.00 0.00 C ATOM 1198 CG ASN A 522 3.636 -13.258 -3.725 1.00 0.00 C ATOM 1199 OD1 ASN A 522 2.447 -13.563 -3.828 1.00 0.00 O ATOM 1200 ND2 ASN A 522 4.619 -14.122 -3.945 1.00 0.00 N ATOM 0 H ASN A 522 4.242 -9.497 -2.636 1.00 0.00 H new ATOM 0 HA ASN A 522 2.060 -11.241 -2.788 1.00 0.00 H new ATOM 0 HB2 ASN A 522 4.124 -11.235 -4.227 1.00 0.00 H new ATOM 0 HB3 ASN A 522 5.037 -11.880 -2.878 1.00 0.00 H new ATOM 0 HD21 ASN A 522 4.403 -15.083 -4.211 1.00 0.00 H new ATOM 0 HD22 ASN A 522 5.590 -13.825 -3.848 1.00 0.00 H new ATOM 1207 N ALA A 523 4.058 -11.744 -0.213 1.00 0.00 N ATOM 1208 CA ALA A 523 4.162 -12.417 1.077 1.00 0.00 C ATOM 1209 C ALA A 523 2.856 -12.312 1.857 1.00 0.00 C ATOM 1210 O ALA A 523 2.298 -13.321 2.291 1.00 0.00 O ATOM 1211 CB ALA A 523 5.310 -11.833 1.886 1.00 0.00 C ATOM 0 H ALA A 523 4.817 -11.092 -0.411 1.00 0.00 H new ATOM 0 HA ALA A 523 4.362 -13.473 0.893 1.00 0.00 H new ATOM 0 HB1 ALA A 523 5.376 -12.345 2.846 1.00 0.00 H new ATOM 0 HB2 ALA A 523 6.244 -11.965 1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 523 5.134 -10.770 2.053 1.00 0.00 H new ATOM 1217 N LEU A 524 2.373 -11.087 2.032 1.00 0.00 N ATOM 1218 CA LEU A 524 1.132 -10.851 2.760 1.00 0.00 C ATOM 1219 C LEU A 524 -0.074 -11.306 1.945 1.00 0.00 C ATOM 1220 O LEU A 524 -0.901 -12.084 2.422 1.00 0.00 O ATOM 1221 CB LEU A 524 0.996 -9.367 3.108 1.00 0.00 C ATOM 1222 CG LEU A 524 2.091 -8.784 4.001 1.00 0.00 C ATOM 1223 CD1 LEU A 524 1.767 -7.345 4.373 1.00 0.00 C ATOM 1224 CD2 LEU A 524 2.268 -9.633 5.252 1.00 0.00 C ATOM 0 H LEU A 524 2.822 -10.242 1.680 1.00 0.00 H new ATOM 0 HA LEU A 524 1.165 -11.433 3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 524 0.971 -8.797 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 524 0.035 -9.216 3.600 1.00 0.00 H new ATOM 0 HG LEU A 524 3.029 -8.792 3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 524 2.558 -6.947 5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 524 1.692 -6.743 3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 524 0.819 -7.313 4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 524 3.052 -9.203 5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 524 1.332 -9.658 5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 524 2.547 -10.647 4.967 1.00 0.00 H new ATOM 1236 N CYS A 525 -0.167 -10.818 0.713 1.00 0.00 N ATOM 1237 CA CYS A 525 -1.271 -11.176 -0.170 1.00 0.00 C ATOM 1238 C CYS A 525 -1.710 -12.618 0.065 1.00 0.00 C ATOM 1239 O CYS A 525 -2.888 -12.889 0.299 1.00 0.00 O ATOM 1240 CB CYS A 525 -0.864 -10.986 -1.632 1.00 0.00 C ATOM 1241 SG CYS A 525 -1.852 -11.945 -2.804 1.00 0.00 S ATOM 0 H CYS A 525 0.509 -10.173 0.303 1.00 0.00 H new ATOM 0 HA CYS A 525 -2.111 -10.519 0.054 1.00 0.00 H new ATOM 0 HB2 CYS A 525 -0.944 -9.929 -1.886 1.00 0.00 H new ATOM 0 HB3 CYS A 525 0.184 -11.263 -1.745 1.00 0.00 H new ATOM 0 HG CYS A 525 -1.434 -11.716 -4.013 1.00 0.00 H new ATOM 1247 N HIS A 526 -0.755 -13.540 -0.001 1.00 0.00 N ATOM 1248 CA HIS A 526 -1.043 -14.955 0.204 1.00 0.00 C ATOM 1249 C HIS A 526 -2.125 -15.141 1.263 1.00 0.00 C ATOM 1250 O HIS A 526 -3.176 -15.722 0.995 1.00 0.00 O ATOM 1251 CB HIS A 526 0.226 -15.701 0.618 1.00 0.00 C ATOM 1252 CG HIS A 526 0.029 -17.177 0.775 1.00 0.00 C ATOM 1253 ND1 HIS A 526 0.081 -17.818 1.995 1.00 0.00 N ATOM 1254 CD2 HIS A 526 -0.223 -18.139 -0.143 1.00 0.00 C ATOM 1255 CE1 HIS A 526 -0.129 -19.110 1.820 1.00 0.00 C ATOM 1256 NE2 HIS A 526 -0.317 -19.331 0.532 1.00 0.00 N ATOM 0 H HIS A 526 0.225 -13.333 -0.195 1.00 0.00 H new ATOM 0 HA HIS A 526 -1.406 -15.367 -0.738 1.00 0.00 H new ATOM 0 HB2 HIS A 526 1.001 -15.524 -0.127 1.00 0.00 H new ATOM 0 HB3 HIS A 526 0.589 -15.289 1.560 1.00 0.00 H new ATOM 0 HD2 HIS A 526 -0.330 -17.996 -1.208 1.00 0.00 H new ATOM 0 HE1 HIS A 526 -0.144 -19.859 2.598 1.00 0.00 H new ATOM 0 HE2 HIS A 526 -0.502 -20.240 0.107 1.00 0.00 H new ATOM 1264 N SER A 527 -1.859 -14.646 2.468 1.00 0.00 N ATOM 1265 CA SER A 527 -2.808 -14.762 3.569 1.00 0.00 C ATOM 1266 C SER A 527 -2.351 -13.938 4.769 1.00 0.00 C ATOM 1267 O SER A 527 -1.381 -14.286 5.443 1.00 0.00 O ATOM 1268 CB SER A 527 -2.973 -16.228 3.975 1.00 0.00 C ATOM 1269 OG SER A 527 -1.779 -16.737 4.543 1.00 0.00 O ATOM 0 H SER A 527 -0.994 -14.161 2.706 1.00 0.00 H new ATOM 0 HA SER A 527 -3.769 -14.376 3.230 1.00 0.00 H new ATOM 0 HB2 SER A 527 -3.789 -16.320 4.692 1.00 0.00 H new ATOM 0 HB3 SER A 527 -3.246 -16.822 3.103 1.00 0.00 H new ATOM 0 HG SER A 527 -1.349 -16.039 5.081 1.00 0.00 H new ATOM 1275 N THR A 528 -3.058 -12.843 5.030 1.00 0.00 N ATOM 1276 CA THR A 528 -2.726 -11.967 6.147 1.00 0.00 C ATOM 1277 C THR A 528 -3.911 -11.808 7.092 1.00 0.00 C ATOM 1278 O THR A 528 -4.919 -11.192 6.742 1.00 0.00 O ATOM 1279 CB THR A 528 -2.283 -10.576 5.658 1.00 0.00 C ATOM 1280 OG1 THR A 528 -1.335 -10.709 4.593 1.00 0.00 O ATOM 1281 CG2 THR A 528 -1.667 -9.773 6.794 1.00 0.00 C ATOM 0 H THR A 528 -3.864 -12.542 4.483 1.00 0.00 H new ATOM 0 HA THR A 528 -1.900 -12.436 6.681 1.00 0.00 H new ATOM 0 HB THR A 528 -3.164 -10.046 5.296 1.00 0.00 H new ATOM 0 HG1 THR A 528 -1.740 -11.212 3.856 1.00 0.00 H new ATOM 0 HG21 THR A 528 -1.362 -8.794 6.424 1.00 0.00 H new ATOM 0 HG22 THR A 528 -2.401 -9.647 7.590 1.00 0.00 H new ATOM 0 HG23 THR A 528 -0.797 -10.301 7.183 1.00 0.00 H new ATOM 1289 N HIS A 529 -3.785 -12.366 8.292 1.00 0.00 N ATOM 1290 CA HIS A 529 -4.847 -12.284 9.288 1.00 0.00 C ATOM 1291 C HIS A 529 -4.442 -11.369 10.440 1.00 0.00 C ATOM 1292 O HIS A 529 -3.466 -11.635 11.144 1.00 0.00 O ATOM 1293 CB HIS A 529 -5.183 -13.677 9.822 1.00 0.00 C ATOM 1294 CG HIS A 529 -5.643 -14.629 8.761 1.00 0.00 C ATOM 1295 ND1 HIS A 529 -6.010 -14.226 7.495 1.00 0.00 N ATOM 1296 CD2 HIS A 529 -5.793 -15.974 8.784 1.00 0.00 C ATOM 1297 CE1 HIS A 529 -6.367 -15.281 6.785 1.00 0.00 C ATOM 1298 NE2 HIS A 529 -6.244 -16.355 7.544 1.00 0.00 N ATOM 0 H HIS A 529 -2.958 -12.879 8.598 1.00 0.00 H new ATOM 0 HA HIS A 529 -5.731 -11.864 8.807 1.00 0.00 H new ATOM 0 HB2 HIS A 529 -4.303 -14.091 10.314 1.00 0.00 H new ATOM 0 HB3 HIS A 529 -5.960 -13.589 10.581 1.00 0.00 H new ATOM 0 HD2 HIS A 529 -5.595 -16.626 9.622 1.00 0.00 H new ATOM 0 HE1 HIS A 529 -6.702 -15.268 5.758 1.00 0.00 H new ATOM 0 HE2 HIS A 529 -6.450 -17.312 7.256 1.00 0.00 H new ATOM 1306 N LEU A 530 -5.196 -10.292 10.628 1.00 0.00 N ATOM 1307 CA LEU A 530 -4.915 -9.337 11.694 1.00 0.00 C ATOM 1308 C LEU A 530 -6.163 -9.071 12.529 1.00 0.00 C ATOM 1309 O LEU A 530 -7.234 -8.788 11.991 1.00 0.00 O ATOM 1310 CB LEU A 530 -4.391 -8.026 11.106 1.00 0.00 C ATOM 1311 CG LEU A 530 -3.685 -7.086 12.085 1.00 0.00 C ATOM 1312 CD1 LEU A 530 -2.340 -7.662 12.500 1.00 0.00 C ATOM 1313 CD2 LEU A 530 -3.510 -5.707 11.467 1.00 0.00 C ATOM 0 H LEU A 530 -6.007 -10.058 10.056 1.00 0.00 H new ATOM 0 HA LEU A 530 -4.152 -9.767 12.342 1.00 0.00 H new ATOM 0 HB2 LEU A 530 -3.698 -8.264 10.299 1.00 0.00 H new ATOM 0 HB3 LEU A 530 -5.229 -7.491 10.660 1.00 0.00 H new ATOM 0 HG LEU A 530 -4.305 -6.986 12.976 1.00 0.00 H new ATOM 0 HD11 LEU A 530 -1.852 -6.980 13.196 1.00 0.00 H new ATOM 0 HD12 LEU A 530 -2.491 -8.627 12.983 1.00 0.00 H new ATOM 0 HD13 LEU A 530 -1.712 -7.792 11.619 1.00 0.00 H new ATOM 0 HD21 LEU A 530 -3.006 -5.051 12.177 1.00 0.00 H new ATOM 0 HD22 LEU A 530 -2.911 -5.788 10.560 1.00 0.00 H new ATOM 0 HD23 LEU A 530 -4.487 -5.292 11.220 1.00 0.00 H new ATOM 1325 N TYR A 531 -6.017 -9.162 13.847 1.00 0.00 N ATOM 1326 CA TYR A 531 -7.133 -8.931 14.757 1.00 0.00 C ATOM 1327 C TYR A 531 -8.352 -9.751 14.344 1.00 0.00 C ATOM 1328 O TYR A 531 -9.490 -9.374 14.618 1.00 0.00 O ATOM 1329 CB TYR A 531 -7.492 -7.444 14.790 1.00 0.00 C ATOM 1330 CG TYR A 531 -6.391 -6.568 15.343 1.00 0.00 C ATOM 1331 CD1 TYR A 531 -6.094 -6.566 16.701 1.00 0.00 C ATOM 1332 CD2 TYR A 531 -5.648 -5.742 14.509 1.00 0.00 C ATOM 1333 CE1 TYR A 531 -5.089 -5.766 17.210 1.00 0.00 C ATOM 1334 CE2 TYR A 531 -4.641 -4.940 15.010 1.00 0.00 C ATOM 1335 CZ TYR A 531 -4.366 -4.955 16.361 1.00 0.00 C ATOM 1336 OH TYR A 531 -3.363 -4.158 16.865 1.00 0.00 O ATOM 0 H TYR A 531 -5.137 -9.394 14.308 1.00 0.00 H new ATOM 0 HA TYR A 531 -6.827 -9.246 15.754 1.00 0.00 H new ATOM 0 HB2 TYR A 531 -7.734 -7.115 13.780 1.00 0.00 H new ATOM 0 HB3 TYR A 531 -8.390 -7.309 15.393 1.00 0.00 H new ATOM 0 HD1 TYR A 531 -6.658 -7.200 17.369 1.00 0.00 H new ATOM 0 HD2 TYR A 531 -5.861 -5.727 13.450 1.00 0.00 H new ATOM 0 HE1 TYR A 531 -4.871 -5.776 18.268 1.00 0.00 H new ATOM 0 HE2 TYR A 531 -4.072 -4.305 14.347 1.00 0.00 H new ATOM 0 HH TYR A 531 -2.971 -4.586 17.654 1.00 0.00 H new ATOM 1346 N GLY A 532 -8.103 -10.876 13.681 1.00 0.00 N ATOM 1347 CA GLY A 532 -9.188 -11.733 13.241 1.00 0.00 C ATOM 1348 C GLY A 532 -9.837 -11.237 11.964 1.00 0.00 C ATOM 1349 O GLY A 532 -11.028 -11.452 11.741 1.00 0.00 O ATOM 0 H GLY A 532 -7.169 -11.209 13.441 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -8.809 -12.743 13.084 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -9.940 -11.794 14.027 1.00 0.00 H new ATOM 1353 N ARG A 533 -9.052 -10.570 11.124 1.00 0.00 N ATOM 1354 CA ARG A 533 -9.559 -10.039 9.864 1.00 0.00 C ATOM 1355 C ARG A 533 -8.588 -10.328 8.723 1.00 0.00 C ATOM 1356 O ARG A 533 -7.382 -10.115 8.852 1.00 0.00 O ATOM 1357 CB ARG A 533 -9.793 -8.531 9.979 1.00 0.00 C ATOM 1358 CG ARG A 533 -10.913 -8.160 10.937 1.00 0.00 C ATOM 1359 CD ARG A 533 -11.424 -6.752 10.678 1.00 0.00 C ATOM 1360 NE ARG A 533 -12.253 -6.260 11.776 1.00 0.00 N ATOM 1361 CZ ARG A 533 -13.067 -5.216 11.670 1.00 0.00 C ATOM 1362 NH1 ARG A 533 -13.162 -4.557 10.524 1.00 0.00 N ATOM 1363 NH2 ARG A 533 -13.790 -4.829 12.714 1.00 0.00 N ATOM 0 H ARG A 533 -8.063 -10.385 11.293 1.00 0.00 H new ATOM 0 HA ARG A 533 -10.507 -10.531 9.646 1.00 0.00 H new ATOM 0 HB2 ARG A 533 -8.871 -8.053 10.309 1.00 0.00 H new ATOM 0 HB3 ARG A 533 -10.024 -8.131 8.992 1.00 0.00 H new ATOM 0 HG2 ARG A 533 -11.733 -8.871 10.833 1.00 0.00 H new ATOM 0 HG3 ARG A 533 -10.555 -8.235 11.964 1.00 0.00 H new ATOM 0 HD2 ARG A 533 -10.578 -6.080 10.533 1.00 0.00 H new ATOM 0 HD3 ARG A 533 -12.002 -6.740 9.754 1.00 0.00 H new ATOM 0 HE ARG A 533 -12.204 -6.744 12.672 1.00 0.00 H new ATOM 0 HH11 ARG A 533 -12.609 -4.851 9.719 1.00 0.00 H new ATOM 0 HH12 ARG A 533 -13.788 -3.756 10.447 1.00 0.00 H new ATOM 0 HH21 ARG A 533 -13.720 -5.334 13.598 1.00 0.00 H new ATOM 0 HH22 ARG A 533 -14.415 -4.027 12.632 1.00 0.00 H new ATOM 1377 N ARG A 534 -9.122 -10.814 7.607 1.00 0.00 N ATOM 1378 CA ARG A 534 -8.303 -11.134 6.445 1.00 0.00 C ATOM 1379 C ARG A 534 -8.071 -9.895 5.585 1.00 0.00 C ATOM 1380 O ARG A 534 -8.928 -9.508 4.790 1.00 0.00 O ATOM 1381 CB ARG A 534 -8.970 -12.229 5.610 1.00 0.00 C ATOM 1382 CG ARG A 534 -7.984 -13.101 4.850 1.00 0.00 C ATOM 1383 CD ARG A 534 -7.559 -12.453 3.542 1.00 0.00 C ATOM 1384 NE ARG A 534 -7.110 -13.439 2.563 1.00 0.00 N ATOM 1385 CZ ARG A 534 -6.528 -13.120 1.412 1.00 0.00 C ATOM 1386 NH1 ARG A 534 -6.323 -11.847 1.100 1.00 0.00 N ATOM 1387 NH2 ARG A 534 -6.148 -14.074 0.572 1.00 0.00 N ATOM 0 H ARG A 534 -10.118 -10.995 7.484 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.338 -11.494 6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -9.569 -12.860 6.266 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -9.655 -11.766 4.900 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -7.106 -13.283 5.469 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -8.437 -14.071 4.646 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -8.394 -11.887 3.130 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -6.756 -11.741 3.734 1.00 0.00 H new ATOM 0 HE ARG A 534 -7.251 -14.427 2.774 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -6.612 -11.111 1.744 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -5.876 -11.604 0.216 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -6.303 -15.054 0.809 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -5.701 -13.828 -0.311 1.00 0.00 H new ATOM 1401 N LEU A 535 -6.907 -9.276 5.751 1.00 0.00 N ATOM 1402 CA LEU A 535 -6.561 -8.080 4.991 1.00 0.00 C ATOM 1403 C LEU A 535 -6.505 -8.381 3.497 1.00 0.00 C ATOM 1404 O LEU A 535 -6.342 -9.532 3.090 1.00 0.00 O ATOM 1405 CB LEU A 535 -5.217 -7.523 5.461 1.00 0.00 C ATOM 1406 CG LEU A 535 -5.121 -7.165 6.945 1.00 0.00 C ATOM 1407 CD1 LEU A 535 -3.731 -6.647 7.280 1.00 0.00 C ATOM 1408 CD2 LEU A 535 -6.179 -6.136 7.315 1.00 0.00 C ATOM 0 H LEU A 535 -6.187 -9.583 6.405 1.00 0.00 H new ATOM 0 HA LEU A 535 -7.336 -7.334 5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 535 -4.443 -8.256 5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 535 -4.992 -6.631 4.877 1.00 0.00 H new ATOM 0 HG LEU A 535 -5.301 -8.068 7.529 1.00 0.00 H new ATOM 0 HD11 LEU A 535 -3.681 -6.397 8.340 1.00 0.00 H new ATOM 0 HD12 LEU A 535 -2.992 -7.415 7.053 1.00 0.00 H new ATOM 0 HD13 LEU A 535 -3.522 -5.756 6.687 1.00 0.00 H new ATOM 0 HD21 LEU A 535 -6.096 -5.893 8.374 1.00 0.00 H new ATOM 0 HD22 LEU A 535 -6.031 -5.233 6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 535 -7.169 -6.544 7.113 1.00 0.00 H new ATOM 1420 N VAL A 536 -6.638 -7.339 2.682 1.00 0.00 N ATOM 1421 CA VAL A 536 -6.599 -7.491 1.233 1.00 0.00 C ATOM 1422 C VAL A 536 -5.413 -6.744 0.634 1.00 0.00 C ATOM 1423 O VAL A 536 -5.184 -5.573 0.940 1.00 0.00 O ATOM 1424 CB VAL A 536 -7.897 -6.981 0.579 1.00 0.00 C ATOM 1425 CG1 VAL A 536 -7.879 -7.241 -0.919 1.00 0.00 C ATOM 1426 CG2 VAL A 536 -9.111 -7.630 1.228 1.00 0.00 C ATOM 0 H VAL A 536 -6.774 -6.380 3.002 1.00 0.00 H new ATOM 0 HA VAL A 536 -6.494 -8.557 1.030 1.00 0.00 H new ATOM 0 HB VAL A 536 -7.963 -5.904 0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 536 -8.804 -6.874 -1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 536 -7.031 -6.724 -1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 536 -7.789 -8.312 -1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 536 -10.019 -7.258 0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -9.054 -8.712 1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -9.130 -7.386 2.290 1.00 0.00 H new ATOM 1436 N LEU A 537 -4.662 -7.427 -0.223 1.00 0.00 N ATOM 1437 CA LEU A 537 -3.499 -6.827 -0.868 1.00 0.00 C ATOM 1438 C LEU A 537 -3.827 -6.398 -2.294 1.00 0.00 C ATOM 1439 O LEU A 537 -4.089 -7.233 -3.158 1.00 0.00 O ATOM 1440 CB LEU A 537 -2.331 -7.815 -0.876 1.00 0.00 C ATOM 1441 CG LEU A 537 -1.404 -7.770 0.339 1.00 0.00 C ATOM 1442 CD1 LEU A 537 -0.508 -6.542 0.282 1.00 0.00 C ATOM 1443 CD2 LEU A 537 -2.214 -7.782 1.628 1.00 0.00 C ATOM 0 H LEU A 537 -4.837 -8.396 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 537 -3.215 -5.942 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -2.735 -8.824 -0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -1.734 -7.634 -1.770 1.00 0.00 H new ATOM 0 HG LEU A 537 -0.771 -8.657 0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 537 0.145 -6.527 1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 537 0.098 -6.575 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -1.124 -5.643 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 537 -1.538 -7.750 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 537 -2.872 -6.913 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 537 -2.813 -8.692 1.673 1.00 0.00 H new ATOM 1455 N GLU A 538 -3.809 -5.090 -2.532 1.00 0.00 N ATOM 1456 CA GLU A 538 -4.103 -4.551 -3.854 1.00 0.00 C ATOM 1457 C GLU A 538 -3.021 -3.568 -4.294 1.00 0.00 C ATOM 1458 O GLU A 538 -2.538 -2.764 -3.498 1.00 0.00 O ATOM 1459 CB GLU A 538 -5.467 -3.857 -3.854 1.00 0.00 C ATOM 1460 CG GLU A 538 -6.640 -4.822 -3.915 1.00 0.00 C ATOM 1461 CD GLU A 538 -7.944 -4.132 -4.266 1.00 0.00 C ATOM 1462 OE1 GLU A 538 -8.462 -3.376 -3.418 1.00 0.00 O ATOM 1463 OE2 GLU A 538 -8.447 -4.349 -5.389 1.00 0.00 O ATOM 0 H GLU A 538 -3.594 -4.385 -1.827 1.00 0.00 H new ATOM 0 HA GLU A 538 -4.125 -5.381 -4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 538 -5.555 -3.247 -2.955 1.00 0.00 H new ATOM 0 HB3 GLU A 538 -5.520 -3.179 -4.706 1.00 0.00 H new ATOM 0 HG2 GLU A 538 -6.432 -5.595 -4.654 1.00 0.00 H new ATOM 0 HG3 GLU A 538 -6.745 -5.322 -2.952 1.00 0.00 H new ATOM 1470 N TRP A 539 -2.647 -3.642 -5.566 1.00 0.00 N ATOM 1471 CA TRP A 539 -1.622 -2.760 -6.113 1.00 0.00 C ATOM 1472 C TRP A 539 -2.175 -1.358 -6.341 1.00 0.00 C ATOM 1473 O TRP A 539 -2.942 -1.127 -7.275 1.00 0.00 O ATOM 1474 CB TRP A 539 -1.079 -3.327 -7.426 1.00 0.00 C ATOM 1475 CG TRP A 539 -0.201 -4.527 -7.237 1.00 0.00 C ATOM 1476 CD1 TRP A 539 -0.559 -5.836 -7.386 1.00 0.00 C ATOM 1477 CD2 TRP A 539 1.181 -4.527 -6.863 1.00 0.00 C ATOM 1478 NE1 TRP A 539 0.517 -6.650 -7.126 1.00 0.00 N ATOM 1479 CE2 TRP A 539 1.597 -5.871 -6.804 1.00 0.00 C ATOM 1480 CE3 TRP A 539 2.108 -3.522 -6.573 1.00 0.00 C ATOM 1481 CZ2 TRP A 539 2.898 -6.234 -6.467 1.00 0.00 C ATOM 1482 CZ3 TRP A 539 3.399 -3.883 -6.238 1.00 0.00 C ATOM 1483 CH2 TRP A 539 3.785 -5.229 -6.188 1.00 0.00 C ATOM 0 H TRP A 539 -3.038 -4.303 -6.238 1.00 0.00 H new ATOM 0 HA TRP A 539 -0.809 -2.697 -5.389 1.00 0.00 H new ATOM 0 HB2 TRP A 539 -1.916 -3.596 -8.071 1.00 0.00 H new ATOM 0 HB3 TRP A 539 -0.515 -2.551 -7.943 1.00 0.00 H new ATOM 0 HD1 TRP A 539 -1.543 -6.181 -7.667 1.00 0.00 H new ATOM 0 HE1 TRP A 539 0.512 -7.669 -7.166 1.00 0.00 H new ATOM 0 HE3 TRP A 539 1.820 -2.482 -6.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 539 3.197 -7.271 -6.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 539 4.123 -3.114 -6.011 1.00 0.00 H new ATOM 0 HH2 TRP A 539 4.802 -5.479 -5.924 1.00 0.00 H new