USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=11 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 527 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 529 HIS : no HD1:sc= -2.6 K(o=-2.6,f=-4.9!) USER MOD Single : A 462 SER OG : rot 52:sc= 0.38 USER MOD Single : A 463 LYS NZ :NH3+ 176:sc= 0.00421 (180deg=0.00179) USER MOD Single : A 468 ASN : amide:sc= -0.054 K(o=-0.054,f=-1.7!) USER MOD Single : A 472 GLN : amide:sc= -0.18 K(o=-0.18,f=-0.84) USER MOD Single : A 474 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.42) USER MOD Single : A 475 GLN : amide:sc= -3.26! C(o=-3.3!,f=-6.6!) USER MOD Single : A 483 SER OG : rot 180:sc= 0 USER MOD Single : A 484 THR OG1 : rot 69:sc= 1.03 USER MOD Single : A 489 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0196) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 515 GLN : amide:sc=-0.00119 X(o=-0.0012,f=0) USER MOD Single : A 518 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 522 ASN : amide:sc= -0.0189 K(o=-0.019,f=-1.4) USER MOD Single : A 525 CYS SG : rot -147:sc= -0.89! USER MOD Single : A 526 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 528 THR OG1 : rot 54:sc= 1.19 USER MOD Single : A 531 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N SER A 462 5.971 0.556 -6.941 1.00 0.00 N ATOM 203 CA SER A 462 6.027 -0.001 -5.595 1.00 0.00 C ATOM 204 C SER A 462 4.995 0.663 -4.689 1.00 0.00 C ATOM 205 O SER A 462 5.286 1.651 -4.015 1.00 0.00 O ATOM 206 CB SER A 462 7.428 0.176 -5.006 1.00 0.00 C ATOM 207 OG SER A 462 7.852 1.525 -5.094 1.00 0.00 O ATOM 0 HA SER A 462 5.798 -1.065 -5.658 1.00 0.00 H new ATOM 0 HB2 SER A 462 7.430 -0.142 -3.963 1.00 0.00 H new ATOM 0 HB3 SER A 462 8.132 -0.465 -5.536 1.00 0.00 H new ATOM 0 HG SER A 462 7.162 2.110 -4.717 1.00 0.00 H new ATOM 213 N LYS A 463 3.786 0.113 -4.678 1.00 0.00 N ATOM 214 CA LYS A 463 2.708 0.648 -3.854 1.00 0.00 C ATOM 215 C LYS A 463 1.795 -0.469 -3.358 1.00 0.00 C ATOM 216 O LYS A 463 1.127 -1.134 -4.150 1.00 0.00 O ATOM 217 CB LYS A 463 1.893 1.672 -4.648 1.00 0.00 C ATOM 218 CG LYS A 463 2.429 3.090 -4.542 1.00 0.00 C ATOM 219 CD LYS A 463 1.319 4.118 -4.685 1.00 0.00 C ATOM 220 CE LYS A 463 1.853 5.446 -5.200 1.00 0.00 C ATOM 221 NZ LYS A 463 2.751 6.104 -4.212 1.00 0.00 N ATOM 0 H LYS A 463 3.527 -0.704 -5.231 1.00 0.00 H new ATOM 0 HA LYS A 463 3.155 1.138 -2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 463 1.876 1.376 -5.697 1.00 0.00 H new ATOM 0 HB3 LYS A 463 0.862 1.655 -4.296 1.00 0.00 H new ATOM 0 HG2 LYS A 463 2.926 3.221 -3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 463 3.180 3.255 -5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 463 0.558 3.741 -5.368 1.00 0.00 H new ATOM 0 HD3 LYS A 463 0.835 4.269 -3.720 1.00 0.00 H new ATOM 0 HE2 LYS A 463 2.396 5.283 -6.131 1.00 0.00 H new ATOM 0 HE3 LYS A 463 1.018 6.108 -5.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 3.147 6.972 -4.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 2.210 6.345 -3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 3.525 5.456 -3.961 1.00 0.00 H new ATOM 235 N ILE A 464 1.771 -0.668 -2.045 1.00 0.00 N ATOM 236 CA ILE A 464 0.938 -1.702 -1.444 1.00 0.00 C ATOM 237 C ILE A 464 -0.266 -1.094 -0.734 1.00 0.00 C ATOM 238 O ILE A 464 -0.124 -0.420 0.287 1.00 0.00 O ATOM 239 CB ILE A 464 1.736 -2.555 -0.440 1.00 0.00 C ATOM 240 CG1 ILE A 464 2.921 -3.227 -1.137 1.00 0.00 C ATOM 241 CG2 ILE A 464 0.834 -3.596 0.205 1.00 0.00 C ATOM 242 CD1 ILE A 464 4.089 -3.499 -0.216 1.00 0.00 C ATOM 0 H ILE A 464 2.319 -0.127 -1.377 1.00 0.00 H new ATOM 0 HA ILE A 464 0.593 -2.341 -2.257 1.00 0.00 H new ATOM 0 HB ILE A 464 2.122 -1.902 0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 464 2.588 -4.168 -1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.256 -2.593 -1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 464 1.412 -4.191 0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 464 0.021 -3.097 0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 464 0.422 -4.248 -0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 464 4.892 -3.976 -0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 464 4.448 -2.559 0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 464 3.770 -4.158 0.591 1.00 0.00 H new ATOM 254 N LEU A 465 -1.453 -1.339 -1.279 1.00 0.00 N ATOM 255 CA LEU A 465 -2.684 -0.817 -0.697 1.00 0.00 C ATOM 256 C LEU A 465 -3.413 -1.899 0.095 1.00 0.00 C ATOM 257 O LEU A 465 -3.995 -2.818 -0.481 1.00 0.00 O ATOM 258 CB LEU A 465 -3.599 -0.269 -1.794 1.00 0.00 C ATOM 259 CG LEU A 465 -5.077 -0.129 -1.428 1.00 0.00 C ATOM 260 CD1 LEU A 465 -5.274 0.999 -0.427 1.00 0.00 C ATOM 261 CD2 LEU A 465 -5.914 0.110 -2.676 1.00 0.00 C ATOM 0 H LEU A 465 -1.589 -1.896 -2.123 1.00 0.00 H new ATOM 0 HA LEU A 465 -2.420 -0.008 -0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 465 -3.226 0.710 -2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 465 -3.521 -0.921 -2.664 1.00 0.00 H new ATOM 0 HG LEU A 465 -5.408 -1.059 -0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 465 -6.332 1.084 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 465 -4.704 0.786 0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 465 -4.927 1.936 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 465 -6.963 0.207 -2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 465 -5.583 1.025 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 465 -5.797 -0.731 -3.359 1.00 0.00 H new ATOM 273 N VAL A 466 -3.378 -1.781 1.418 1.00 0.00 N ATOM 274 CA VAL A 466 -4.038 -2.746 2.289 1.00 0.00 C ATOM 275 C VAL A 466 -5.472 -2.325 2.591 1.00 0.00 C ATOM 276 O VAL A 466 -5.706 -1.336 3.286 1.00 0.00 O ATOM 277 CB VAL A 466 -3.275 -2.918 3.616 1.00 0.00 C ATOM 278 CG1 VAL A 466 -3.015 -1.565 4.261 1.00 0.00 C ATOM 279 CG2 VAL A 466 -4.047 -3.828 4.560 1.00 0.00 C ATOM 0 H VAL A 466 -2.900 -1.027 1.910 1.00 0.00 H new ATOM 0 HA VAL A 466 -4.047 -3.697 1.757 1.00 0.00 H new ATOM 0 HB VAL A 466 -2.313 -3.384 3.404 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -2.475 -1.706 5.197 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -2.419 -0.949 3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -3.965 -1.069 4.461 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -3.494 -3.939 5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -5.024 -3.392 4.768 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -4.177 -4.806 4.097 1.00 0.00 H new ATOM 289 N ARG A 467 -6.429 -3.081 2.063 1.00 0.00 N ATOM 290 CA ARG A 467 -7.840 -2.786 2.275 1.00 0.00 C ATOM 291 C ARG A 467 -8.432 -3.697 3.347 1.00 0.00 C ATOM 292 O ARG A 467 -7.849 -4.724 3.692 1.00 0.00 O ATOM 293 CB ARG A 467 -8.619 -2.947 0.968 1.00 0.00 C ATOM 294 CG ARG A 467 -8.490 -1.756 0.032 1.00 0.00 C ATOM 295 CD ARG A 467 -9.533 -1.802 -1.074 1.00 0.00 C ATOM 296 NE ARG A 467 -9.403 -0.676 -1.996 1.00 0.00 N ATOM 297 CZ ARG A 467 -9.957 -0.647 -3.203 1.00 0.00 C ATOM 298 NH1 ARG A 467 -10.675 -1.676 -3.631 1.00 0.00 N ATOM 299 NH2 ARG A 467 -9.793 0.413 -3.984 1.00 0.00 N ATOM 0 H ARG A 467 -6.252 -3.903 1.485 1.00 0.00 H new ATOM 0 HA ARG A 467 -7.922 -1.753 2.614 1.00 0.00 H new ATOM 0 HB2 ARG A 467 -8.269 -3.842 0.454 1.00 0.00 H new ATOM 0 HB3 ARG A 467 -9.672 -3.104 1.200 1.00 0.00 H new ATOM 0 HG2 ARG A 467 -8.600 -0.832 0.600 1.00 0.00 H new ATOM 0 HG3 ARG A 467 -7.492 -1.743 -0.407 1.00 0.00 H new ATOM 0 HD2 ARG A 467 -9.434 -2.736 -1.627 1.00 0.00 H new ATOM 0 HD3 ARG A 467 -10.530 -1.796 -0.633 1.00 0.00 H new ATOM 0 HE ARG A 467 -8.857 0.132 -1.697 1.00 0.00 H new ATOM 0 HH11 ARG A 467 -10.803 -2.492 -3.033 1.00 0.00 H new ATOM 0 HH12 ARG A 467 -11.099 -1.651 -4.558 1.00 0.00 H new ATOM 0 HH21 ARG A 467 -9.241 1.206 -3.658 1.00 0.00 H new ATOM 0 HH22 ARG A 467 -10.219 0.434 -4.911 1.00 0.00 H new ATOM 313 N ASN A 468 -9.592 -3.312 3.869 1.00 0.00 N ATOM 314 CA ASN A 468 -10.261 -4.094 4.902 1.00 0.00 C ATOM 315 C ASN A 468 -9.459 -4.080 6.200 1.00 0.00 C ATOM 316 O ASN A 468 -9.229 -5.125 6.810 1.00 0.00 O ATOM 317 CB ASN A 468 -10.464 -5.535 4.430 1.00 0.00 C ATOM 318 CG ASN A 468 -11.629 -6.212 5.125 1.00 0.00 C ATOM 319 OD1 ASN A 468 -12.585 -5.557 5.541 1.00 0.00 O ATOM 320 ND2 ASN A 468 -11.555 -7.532 5.254 1.00 0.00 N ATOM 0 H ASN A 468 -10.088 -2.464 3.594 1.00 0.00 H new ATOM 0 HA ASN A 468 -11.234 -3.641 5.092 1.00 0.00 H new ATOM 0 HB2 ASN A 468 -10.633 -5.541 3.353 1.00 0.00 H new ATOM 0 HB3 ASN A 468 -9.554 -6.106 4.613 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -12.309 -8.043 5.713 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -10.744 -8.035 4.894 1.00 0.00 H new ATOM 327 N ILE A 469 -9.038 -2.891 6.616 1.00 0.00 N ATOM 328 CA ILE A 469 -8.263 -2.741 7.842 1.00 0.00 C ATOM 329 C ILE A 469 -9.176 -2.616 9.057 1.00 0.00 C ATOM 330 O ILE A 469 -10.094 -1.796 9.093 1.00 0.00 O ATOM 331 CB ILE A 469 -7.341 -1.509 7.778 1.00 0.00 C ATOM 332 CG1 ILE A 469 -6.144 -1.788 6.866 1.00 0.00 C ATOM 333 CG2 ILE A 469 -6.872 -1.126 9.173 1.00 0.00 C ATOM 334 CD1 ILE A 469 -5.263 -0.580 6.639 1.00 0.00 C ATOM 0 H ILE A 469 -9.220 -2.017 6.122 1.00 0.00 H new ATOM 0 HA ILE A 469 -7.651 -3.638 7.941 1.00 0.00 H new ATOM 0 HB ILE A 469 -7.904 -0.673 7.363 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -5.545 -2.588 7.301 1.00 0.00 H new ATOM 0 HG13 ILE A 469 -6.507 -2.149 5.904 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -6.221 -0.254 9.111 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -7.735 -0.891 9.796 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -6.323 -1.958 9.613 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -4.435 -0.851 5.984 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -5.847 0.215 6.175 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -4.870 -0.231 7.594 1.00 0.00 H new ATOM 346 N PRO A 470 -8.919 -3.446 10.078 1.00 0.00 N ATOM 347 CA PRO A 470 -9.705 -3.446 11.316 1.00 0.00 C ATOM 348 C PRO A 470 -9.473 -2.190 12.150 1.00 0.00 C ATOM 349 O PRO A 470 -8.338 -1.740 12.310 1.00 0.00 O ATOM 350 CB PRO A 470 -9.195 -4.683 12.059 1.00 0.00 C ATOM 351 CG PRO A 470 -7.816 -4.896 11.539 1.00 0.00 C ATOM 352 CD PRO A 470 -7.840 -4.448 10.104 1.00 0.00 C ATOM 0 HA PRO A 470 -10.777 -3.462 11.119 1.00 0.00 H new ATOM 0 HB2 PRO A 470 -9.191 -4.523 13.137 1.00 0.00 H new ATOM 0 HB3 PRO A 470 -9.828 -5.549 11.867 1.00 0.00 H new ATOM 0 HG2 PRO A 470 -7.089 -4.323 12.115 1.00 0.00 H new ATOM 0 HG3 PRO A 470 -7.528 -5.944 11.616 1.00 0.00 H new ATOM 0 HD2 PRO A 470 -6.885 -4.018 9.801 1.00 0.00 H new ATOM 0 HD3 PRO A 470 -8.045 -5.277 9.427 1.00 0.00 H new ATOM 360 N PHE A 471 -10.555 -1.629 12.678 1.00 0.00 N ATOM 361 CA PHE A 471 -10.470 -0.424 13.496 1.00 0.00 C ATOM 362 C PHE A 471 -9.283 -0.499 14.452 1.00 0.00 C ATOM 363 O PHE A 471 -8.472 0.423 14.524 1.00 0.00 O ATOM 364 CB PHE A 471 -11.765 -0.226 14.286 1.00 0.00 C ATOM 365 CG PHE A 471 -13.005 -0.495 13.483 1.00 0.00 C ATOM 366 CD1 PHE A 471 -13.569 0.500 12.701 1.00 0.00 C ATOM 367 CD2 PHE A 471 -13.606 -1.743 13.509 1.00 0.00 C ATOM 368 CE1 PHE A 471 -14.710 0.256 11.960 1.00 0.00 C ATOM 369 CE2 PHE A 471 -14.747 -1.993 12.770 1.00 0.00 C ATOM 370 CZ PHE A 471 -15.300 -0.992 11.996 1.00 0.00 C ATOM 0 H PHE A 471 -11.501 -1.989 12.554 1.00 0.00 H new ATOM 0 HA PHE A 471 -10.325 0.428 12.831 1.00 0.00 H new ATOM 0 HB2 PHE A 471 -11.755 -0.884 15.155 1.00 0.00 H new ATOM 0 HB3 PHE A 471 -11.800 0.797 14.661 1.00 0.00 H new ATOM 0 HD1 PHE A 471 -13.112 1.478 12.670 1.00 0.00 H new ATOM 0 HD2 PHE A 471 -13.178 -2.529 14.113 1.00 0.00 H new ATOM 0 HE1 PHE A 471 -15.139 1.040 11.354 1.00 0.00 H new ATOM 0 HE2 PHE A 471 -15.206 -2.970 12.798 1.00 0.00 H new ATOM 0 HZ PHE A 471 -16.193 -1.185 11.420 1.00 0.00 H new ATOM 380 N GLN A 472 -9.190 -1.604 15.185 1.00 0.00 N ATOM 381 CA GLN A 472 -8.104 -1.799 16.138 1.00 0.00 C ATOM 382 C GLN A 472 -6.762 -1.429 15.517 1.00 0.00 C ATOM 383 O GLN A 472 -5.967 -0.706 16.117 1.00 0.00 O ATOM 384 CB GLN A 472 -8.074 -3.251 16.619 1.00 0.00 C ATOM 385 CG GLN A 472 -8.930 -3.502 17.850 1.00 0.00 C ATOM 386 CD GLN A 472 -8.411 -2.782 19.079 1.00 0.00 C ATOM 387 OE1 GLN A 472 -7.204 -2.611 19.249 1.00 0.00 O ATOM 388 NE2 GLN A 472 -9.323 -2.355 19.944 1.00 0.00 N ATOM 0 H GLN A 472 -9.853 -2.377 15.137 1.00 0.00 H new ATOM 0 HA GLN A 472 -8.281 -1.145 16.991 1.00 0.00 H new ATOM 0 HB2 GLN A 472 -8.414 -3.900 15.812 1.00 0.00 H new ATOM 0 HB3 GLN A 472 -7.044 -3.531 16.840 1.00 0.00 H new ATOM 0 HG2 GLN A 472 -9.952 -3.180 17.649 1.00 0.00 H new ATOM 0 HG3 GLN A 472 -8.967 -4.573 18.050 1.00 0.00 H new ATOM 0 HE21 GLN A 472 -10.313 -2.518 19.763 1.00 0.00 H new ATOM 0 HE22 GLN A 472 -9.033 -1.863 20.789 1.00 0.00 H new ATOM 397 N ALA A 473 -6.515 -1.930 14.311 1.00 0.00 N ATOM 398 CA ALA A 473 -5.269 -1.650 13.607 1.00 0.00 C ATOM 399 C ALA A 473 -5.019 -0.149 13.511 1.00 0.00 C ATOM 400 O ALA A 473 -5.948 0.633 13.318 1.00 0.00 O ATOM 401 CB ALA A 473 -5.296 -2.273 12.219 1.00 0.00 C ATOM 0 H ALA A 473 -7.161 -2.532 13.801 1.00 0.00 H new ATOM 0 HA ALA A 473 -4.451 -2.092 14.176 1.00 0.00 H new ATOM 0 HB1 ALA A 473 -4.360 -2.056 11.705 1.00 0.00 H new ATOM 0 HB2 ALA A 473 -5.420 -3.352 12.307 1.00 0.00 H new ATOM 0 HB3 ALA A 473 -6.127 -1.857 11.650 1.00 0.00 H new ATOM 407 N ASN A 474 -3.757 0.245 13.647 1.00 0.00 N ATOM 408 CA ASN A 474 -3.384 1.653 13.576 1.00 0.00 C ATOM 409 C ASN A 474 -2.190 1.854 12.647 1.00 0.00 C ATOM 410 O ASN A 474 -1.479 0.904 12.322 1.00 0.00 O ATOM 411 CB ASN A 474 -3.054 2.186 14.972 1.00 0.00 C ATOM 412 CG ASN A 474 -3.069 3.701 15.031 1.00 0.00 C ATOM 413 OD1 ASN A 474 -2.021 4.345 14.997 1.00 0.00 O ATOM 414 ND2 ASN A 474 -4.262 4.277 15.121 1.00 0.00 N ATOM 0 H ASN A 474 -2.976 -0.391 13.807 1.00 0.00 H new ATOM 0 HA ASN A 474 -4.232 2.208 13.174 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -3.774 1.790 15.689 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -2.071 1.823 15.274 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -4.336 5.293 15.165 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -5.105 3.703 15.146 1.00 0.00 H new ATOM 421 N GLN A 475 -1.978 3.097 12.226 1.00 0.00 N ATOM 422 CA GLN A 475 -0.870 3.421 11.335 1.00 0.00 C ATOM 423 C GLN A 475 0.398 2.685 11.752 1.00 0.00 C ATOM 424 O GLN A 475 1.040 2.022 10.937 1.00 0.00 O ATOM 425 CB GLN A 475 -0.620 4.931 11.328 1.00 0.00 C ATOM 426 CG GLN A 475 0.697 5.325 10.679 1.00 0.00 C ATOM 427 CD GLN A 475 1.864 5.268 11.645 1.00 0.00 C ATOM 428 OE1 GLN A 475 2.656 4.325 11.624 1.00 0.00 O ATOM 429 NE2 GLN A 475 1.977 6.279 12.498 1.00 0.00 N ATOM 0 H GLN A 475 -2.558 3.895 12.487 1.00 0.00 H new ATOM 0 HA GLN A 475 -1.139 3.099 10.329 1.00 0.00 H new ATOM 0 HB2 GLN A 475 -1.437 5.424 10.801 1.00 0.00 H new ATOM 0 HB3 GLN A 475 -0.634 5.298 12.354 1.00 0.00 H new ATOM 0 HG2 GLN A 475 0.895 4.662 9.837 1.00 0.00 H new ATOM 0 HG3 GLN A 475 0.612 6.335 10.277 1.00 0.00 H new ATOM 0 HE21 GLN A 475 1.298 7.040 12.480 1.00 0.00 H new ATOM 0 HE22 GLN A 475 2.743 6.295 13.171 1.00 0.00 H new ATOM 438 N ARG A 476 0.755 2.807 13.027 1.00 0.00 N ATOM 439 CA ARG A 476 1.948 2.154 13.552 1.00 0.00 C ATOM 440 C ARG A 476 1.900 0.650 13.301 1.00 0.00 C ATOM 441 O ARG A 476 2.889 0.049 12.884 1.00 0.00 O ATOM 442 CB ARG A 476 2.087 2.428 15.051 1.00 0.00 C ATOM 443 CG ARG A 476 2.366 3.885 15.380 1.00 0.00 C ATOM 444 CD ARG A 476 3.802 4.265 15.056 1.00 0.00 C ATOM 445 NE ARG A 476 4.700 4.025 16.182 1.00 0.00 N ATOM 446 CZ ARG A 476 5.918 4.547 16.275 1.00 0.00 C ATOM 447 NH1 ARG A 476 6.381 5.333 15.314 1.00 0.00 N ATOM 448 NH2 ARG A 476 6.675 4.282 17.332 1.00 0.00 N ATOM 0 H ARG A 476 0.235 3.352 13.715 1.00 0.00 H new ATOM 0 HA ARG A 476 2.814 2.564 13.033 1.00 0.00 H new ATOM 0 HB2 ARG A 476 1.171 2.120 15.555 1.00 0.00 H new ATOM 0 HB3 ARG A 476 2.893 1.813 15.451 1.00 0.00 H new ATOM 0 HG2 ARG A 476 1.684 4.523 14.818 1.00 0.00 H new ATOM 0 HG3 ARG A 476 2.171 4.064 16.437 1.00 0.00 H new ATOM 0 HD2 ARG A 476 4.142 3.693 14.193 1.00 0.00 H new ATOM 0 HD3 ARG A 476 3.844 5.318 14.777 1.00 0.00 H new ATOM 0 HE ARG A 476 4.374 3.424 16.939 1.00 0.00 H new ATOM 0 HH11 ARG A 476 5.802 5.539 14.500 1.00 0.00 H new ATOM 0 HH12 ARG A 476 7.317 5.732 15.388 1.00 0.00 H new ATOM 0 HH21 ARG A 476 6.322 3.677 18.074 1.00 0.00 H new ATOM 0 HH22 ARG A 476 7.610 4.683 17.403 1.00 0.00 H new ATOM 462 N GLU A 477 0.742 0.049 13.558 1.00 0.00 N ATOM 463 CA GLU A 477 0.567 -1.385 13.362 1.00 0.00 C ATOM 464 C GLU A 477 0.996 -1.798 11.956 1.00 0.00 C ATOM 465 O GLU A 477 1.736 -2.767 11.782 1.00 0.00 O ATOM 466 CB GLU A 477 -0.893 -1.780 13.598 1.00 0.00 C ATOM 467 CG GLU A 477 -1.090 -3.268 13.835 1.00 0.00 C ATOM 468 CD GLU A 477 -0.262 -3.788 14.994 1.00 0.00 C ATOM 469 OE1 GLU A 477 0.959 -3.980 14.813 1.00 0.00 O ATOM 470 OE2 GLU A 477 -0.835 -4.004 16.083 1.00 0.00 O ATOM 0 H GLU A 477 -0.088 0.533 13.902 1.00 0.00 H new ATOM 0 HA GLU A 477 1.198 -1.904 14.083 1.00 0.00 H new ATOM 0 HB2 GLU A 477 -1.275 -1.230 14.458 1.00 0.00 H new ATOM 0 HB3 GLU A 477 -1.487 -1.476 12.736 1.00 0.00 H new ATOM 0 HG2 GLU A 477 -2.144 -3.465 14.029 1.00 0.00 H new ATOM 0 HG3 GLU A 477 -0.825 -3.815 12.930 1.00 0.00 H new ATOM 477 N ILE A 478 0.525 -1.057 10.959 1.00 0.00 N ATOM 478 CA ILE A 478 0.860 -1.345 9.570 1.00 0.00 C ATOM 479 C ILE A 478 2.342 -1.108 9.301 1.00 0.00 C ATOM 480 O ILE A 478 3.043 -1.992 8.809 1.00 0.00 O ATOM 481 CB ILE A 478 0.030 -0.484 8.600 1.00 0.00 C ATOM 482 CG1 ILE A 478 -1.465 -0.663 8.876 1.00 0.00 C ATOM 483 CG2 ILE A 478 0.354 -0.847 7.159 1.00 0.00 C ATOM 484 CD1 ILE A 478 -1.961 -2.070 8.629 1.00 0.00 C ATOM 0 H ILE A 478 -0.090 -0.253 11.087 1.00 0.00 H new ATOM 0 HA ILE A 478 0.626 -2.396 9.401 1.00 0.00 H new ATOM 0 HB ILE A 478 0.287 0.564 8.757 1.00 0.00 H new ATOM 0 HG12 ILE A 478 -1.670 -0.391 9.911 1.00 0.00 H new ATOM 0 HG13 ILE A 478 -2.027 0.027 8.247 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -0.241 -0.230 6.486 1.00 0.00 H new ATOM 0 HG22 ILE A 478 1.413 -0.674 6.970 1.00 0.00 H new ATOM 0 HG23 ILE A 478 0.122 -1.898 6.988 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -3.028 -2.123 8.845 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -1.788 -2.339 7.587 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -1.425 -2.764 9.277 1.00 0.00 H new ATOM 496 N ARG A 479 2.813 0.090 9.630 1.00 0.00 N ATOM 497 CA ARG A 479 4.212 0.444 9.425 1.00 0.00 C ATOM 498 C ARG A 479 5.128 -0.718 9.801 1.00 0.00 C ATOM 499 O ARG A 479 5.959 -1.148 9.003 1.00 0.00 O ATOM 500 CB ARG A 479 4.574 1.680 10.250 1.00 0.00 C ATOM 501 CG ARG A 479 5.713 2.495 9.659 1.00 0.00 C ATOM 502 CD ARG A 479 5.688 3.931 10.157 1.00 0.00 C ATOM 503 NE ARG A 479 6.662 4.769 9.463 1.00 0.00 N ATOM 504 CZ ARG A 479 7.969 4.724 9.696 1.00 0.00 C ATOM 505 NH1 ARG A 479 8.455 3.887 10.602 1.00 0.00 N ATOM 506 NH2 ARG A 479 8.792 5.518 9.024 1.00 0.00 N ATOM 0 H ARG A 479 2.246 0.832 10.040 1.00 0.00 H new ATOM 0 HA ARG A 479 4.353 0.668 8.367 1.00 0.00 H new ATOM 0 HB2 ARG A 479 3.693 2.316 10.342 1.00 0.00 H new ATOM 0 HB3 ARG A 479 4.847 1.367 11.258 1.00 0.00 H new ATOM 0 HG2 ARG A 479 6.665 2.034 9.921 1.00 0.00 H new ATOM 0 HG3 ARG A 479 5.643 2.485 8.571 1.00 0.00 H new ATOM 0 HD2 ARG A 479 4.689 4.345 10.018 1.00 0.00 H new ATOM 0 HD3 ARG A 479 5.894 3.947 11.227 1.00 0.00 H new ATOM 0 HE ARG A 479 6.320 5.425 8.761 1.00 0.00 H new ATOM 0 HH11 ARG A 479 7.825 3.276 11.122 1.00 0.00 H new ATOM 0 HH12 ARG A 479 9.459 3.854 10.779 1.00 0.00 H new ATOM 0 HH21 ARG A 479 8.422 6.164 8.327 1.00 0.00 H new ATOM 0 HH22 ARG A 479 9.795 5.482 9.204 1.00 0.00 H new ATOM 520 N GLU A 480 4.968 -1.219 11.022 1.00 0.00 N ATOM 521 CA GLU A 480 5.781 -2.330 11.503 1.00 0.00 C ATOM 522 C GLU A 480 5.459 -3.611 10.739 1.00 0.00 C ATOM 523 O GLU A 480 6.345 -4.421 10.462 1.00 0.00 O ATOM 524 CB GLU A 480 5.554 -2.545 13.001 1.00 0.00 C ATOM 525 CG GLU A 480 6.307 -1.561 13.879 1.00 0.00 C ATOM 526 CD GLU A 480 7.772 -1.920 14.034 1.00 0.00 C ATOM 527 OE1 GLU A 480 8.472 -2.017 13.004 1.00 0.00 O ATOM 528 OE2 GLU A 480 8.219 -2.104 15.186 1.00 0.00 O ATOM 0 H GLU A 480 4.284 -0.874 11.695 1.00 0.00 H new ATOM 0 HA GLU A 480 6.828 -2.081 11.333 1.00 0.00 H new ATOM 0 HB2 GLU A 480 4.488 -2.466 13.213 1.00 0.00 H new ATOM 0 HB3 GLU A 480 5.857 -3.559 13.264 1.00 0.00 H new ATOM 0 HG2 GLU A 480 6.225 -0.562 13.451 1.00 0.00 H new ATOM 0 HG3 GLU A 480 5.839 -1.526 14.863 1.00 0.00 H new ATOM 535 N LEU A 481 4.186 -3.788 10.402 1.00 0.00 N ATOM 536 CA LEU A 481 3.746 -4.970 9.670 1.00 0.00 C ATOM 537 C LEU A 481 4.602 -5.192 8.428 1.00 0.00 C ATOM 538 O LEU A 481 5.129 -6.284 8.211 1.00 0.00 O ATOM 539 CB LEU A 481 2.276 -4.830 9.272 1.00 0.00 C ATOM 540 CG LEU A 481 1.600 -6.094 8.741 1.00 0.00 C ATOM 541 CD1 LEU A 481 1.351 -7.081 9.871 1.00 0.00 C ATOM 542 CD2 LEU A 481 0.297 -5.747 8.036 1.00 0.00 C ATOM 0 H LEU A 481 3.441 -3.128 10.624 1.00 0.00 H new ATOM 0 HA LEU A 481 3.858 -5.834 10.325 1.00 0.00 H new ATOM 0 HB2 LEU A 481 1.717 -4.481 10.140 1.00 0.00 H new ATOM 0 HB3 LEU A 481 2.199 -4.054 8.510 1.00 0.00 H new ATOM 0 HG LEU A 481 2.267 -6.563 8.017 1.00 0.00 H new ATOM 0 HD11 LEU A 481 0.869 -7.975 9.474 1.00 0.00 H new ATOM 0 HD12 LEU A 481 2.301 -7.355 10.331 1.00 0.00 H new ATOM 0 HD13 LEU A 481 0.704 -6.622 10.619 1.00 0.00 H new ATOM 0 HD21 LEU A 481 -0.170 -6.659 7.665 1.00 0.00 H new ATOM 0 HD22 LEU A 481 -0.376 -5.254 8.738 1.00 0.00 H new ATOM 0 HD23 LEU A 481 0.502 -5.078 7.200 1.00 0.00 H new ATOM 554 N PHE A 482 4.739 -4.149 7.616 1.00 0.00 N ATOM 555 CA PHE A 482 5.533 -4.229 6.395 1.00 0.00 C ATOM 556 C PHE A 482 7.009 -3.975 6.689 1.00 0.00 C ATOM 557 O PHE A 482 7.881 -4.705 6.218 1.00 0.00 O ATOM 558 CB PHE A 482 5.025 -3.220 5.364 1.00 0.00 C ATOM 559 CG PHE A 482 3.671 -3.559 4.809 1.00 0.00 C ATOM 560 CD1 PHE A 482 3.534 -4.516 3.817 1.00 0.00 C ATOM 561 CD2 PHE A 482 2.535 -2.921 5.281 1.00 0.00 C ATOM 562 CE1 PHE A 482 2.290 -4.829 3.305 1.00 0.00 C ATOM 563 CE2 PHE A 482 1.287 -3.230 4.772 1.00 0.00 C ATOM 564 CZ PHE A 482 1.165 -4.187 3.784 1.00 0.00 C ATOM 0 H PHE A 482 4.310 -3.238 7.781 1.00 0.00 H new ATOM 0 HA PHE A 482 5.430 -5.235 5.989 1.00 0.00 H new ATOM 0 HB2 PHE A 482 4.983 -2.233 5.824 1.00 0.00 H new ATOM 0 HB3 PHE A 482 5.740 -3.160 4.544 1.00 0.00 H new ATOM 0 HD1 PHE A 482 4.410 -5.023 3.440 1.00 0.00 H new ATOM 0 HD2 PHE A 482 2.625 -2.174 6.055 1.00 0.00 H new ATOM 0 HE1 PHE A 482 2.197 -5.576 2.530 1.00 0.00 H new ATOM 0 HE2 PHE A 482 0.409 -2.724 5.146 1.00 0.00 H new ATOM 0 HZ PHE A 482 0.191 -4.433 3.387 1.00 0.00 H new ATOM 574 N SER A 483 7.280 -2.934 7.469 1.00 0.00 N ATOM 575 CA SER A 483 8.650 -2.580 7.822 1.00 0.00 C ATOM 576 C SER A 483 9.469 -3.827 8.138 1.00 0.00 C ATOM 577 O SER A 483 10.670 -3.881 7.869 1.00 0.00 O ATOM 578 CB SER A 483 8.660 -1.631 9.023 1.00 0.00 C ATOM 579 OG SER A 483 9.985 -1.292 9.393 1.00 0.00 O ATOM 0 H SER A 483 6.569 -2.321 7.869 1.00 0.00 H new ATOM 0 HA SER A 483 9.102 -2.077 6.967 1.00 0.00 H new ATOM 0 HB2 SER A 483 8.104 -0.726 8.780 1.00 0.00 H new ATOM 0 HB3 SER A 483 8.152 -2.100 9.866 1.00 0.00 H new ATOM 0 HG SER A 483 9.965 -0.684 10.161 1.00 0.00 H new ATOM 585 N THR A 484 8.812 -4.830 8.713 1.00 0.00 N ATOM 586 CA THR A 484 9.477 -6.077 9.067 1.00 0.00 C ATOM 587 C THR A 484 10.192 -6.680 7.864 1.00 0.00 C ATOM 588 O THR A 484 11.362 -7.054 7.947 1.00 0.00 O ATOM 589 CB THR A 484 8.479 -7.108 9.627 1.00 0.00 C ATOM 590 OG1 THR A 484 7.984 -6.671 10.898 1.00 0.00 O ATOM 591 CG2 THR A 484 9.135 -8.472 9.773 1.00 0.00 C ATOM 0 H THR A 484 7.819 -4.802 8.943 1.00 0.00 H new ATOM 0 HA THR A 484 10.209 -5.836 9.838 1.00 0.00 H new ATOM 0 HB THR A 484 7.649 -7.196 8.926 1.00 0.00 H new ATOM 0 HG1 THR A 484 7.411 -5.886 10.773 1.00 0.00 H new ATOM 0 HG21 THR A 484 8.411 -9.183 10.170 1.00 0.00 H new ATOM 0 HG22 THR A 484 9.483 -8.814 8.799 1.00 0.00 H new ATOM 0 HG23 THR A 484 9.982 -8.397 10.455 1.00 0.00 H new ATOM 599 N PHE A 485 9.482 -6.772 6.744 1.00 0.00 N ATOM 600 CA PHE A 485 10.050 -7.330 5.523 1.00 0.00 C ATOM 601 C PHE A 485 11.188 -6.457 5.003 1.00 0.00 C ATOM 602 O PHE A 485 12.234 -6.960 4.596 1.00 0.00 O ATOM 603 CB PHE A 485 8.968 -7.468 4.449 1.00 0.00 C ATOM 604 CG PHE A 485 8.073 -8.659 4.650 1.00 0.00 C ATOM 605 CD1 PHE A 485 6.956 -8.573 5.465 1.00 0.00 C ATOM 606 CD2 PHE A 485 8.350 -9.863 4.022 1.00 0.00 C ATOM 607 CE1 PHE A 485 6.133 -9.667 5.652 1.00 0.00 C ATOM 608 CE2 PHE A 485 7.529 -10.960 4.205 1.00 0.00 C ATOM 609 CZ PHE A 485 6.418 -10.861 5.020 1.00 0.00 C ATOM 0 H PHE A 485 8.512 -6.467 6.657 1.00 0.00 H new ATOM 0 HA PHE A 485 10.450 -8.317 5.757 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.360 -6.564 4.439 1.00 0.00 H new ATOM 0 HB3 PHE A 485 9.445 -7.542 3.472 1.00 0.00 H new ATOM 0 HD1 PHE A 485 6.726 -7.641 5.960 1.00 0.00 H new ATOM 0 HD2 PHE A 485 9.217 -9.945 3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 485 5.267 -9.588 6.292 1.00 0.00 H new ATOM 0 HE2 PHE A 485 7.756 -11.893 3.711 1.00 0.00 H new ATOM 0 HZ PHE A 485 5.774 -11.716 5.163 1.00 0.00 H new ATOM 619 N GLY A 486 10.975 -5.145 5.020 1.00 0.00 N ATOM 620 CA GLY A 486 11.991 -4.222 4.548 1.00 0.00 C ATOM 621 C GLY A 486 11.682 -2.784 4.912 1.00 0.00 C ATOM 622 O GLY A 486 10.600 -2.483 5.416 1.00 0.00 O ATOM 0 H GLY A 486 10.117 -4.705 5.352 1.00 0.00 H new ATOM 0 HA2 GLY A 486 12.956 -4.501 4.971 1.00 0.00 H new ATOM 0 HA3 GLY A 486 12.081 -4.308 3.465 1.00 0.00 H new ATOM 626 N GLU A 487 12.634 -1.892 4.657 1.00 0.00 N ATOM 627 CA GLU A 487 12.458 -0.478 4.964 1.00 0.00 C ATOM 628 C GLU A 487 11.330 0.124 4.130 1.00 0.00 C ATOM 629 O GLU A 487 11.205 -0.160 2.938 1.00 0.00 O ATOM 630 CB GLU A 487 13.758 0.288 4.710 1.00 0.00 C ATOM 631 CG GLU A 487 13.812 1.641 5.400 1.00 0.00 C ATOM 632 CD GLU A 487 13.584 1.543 6.896 1.00 0.00 C ATOM 633 OE1 GLU A 487 14.469 1.009 7.597 1.00 0.00 O ATOM 634 OE2 GLU A 487 12.521 2.000 7.365 1.00 0.00 O ATOM 0 H GLU A 487 13.535 -2.124 4.239 1.00 0.00 H new ATOM 0 HA GLU A 487 12.194 -0.392 6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 487 14.599 -0.317 5.049 1.00 0.00 H new ATOM 0 HB3 GLU A 487 13.881 0.432 3.637 1.00 0.00 H new ATOM 0 HG2 GLU A 487 14.782 2.101 5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 487 13.059 2.297 4.964 1.00 0.00 H new ATOM 641 N LEU A 488 10.512 0.955 4.765 1.00 0.00 N ATOM 642 CA LEU A 488 9.393 1.597 4.083 1.00 0.00 C ATOM 643 C LEU A 488 9.672 3.079 3.856 1.00 0.00 C ATOM 644 O LEU A 488 10.291 3.740 4.690 1.00 0.00 O ATOM 645 CB LEU A 488 8.109 1.426 4.896 1.00 0.00 C ATOM 646 CG LEU A 488 7.664 -0.014 5.154 1.00 0.00 C ATOM 647 CD1 LEU A 488 6.379 -0.038 5.967 1.00 0.00 C ATOM 648 CD2 LEU A 488 7.480 -0.759 3.840 1.00 0.00 C ATOM 0 H LEU A 488 10.602 1.201 5.751 1.00 0.00 H new ATOM 0 HA LEU A 488 9.267 1.117 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 488 8.243 1.921 5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 488 7.303 1.947 4.379 1.00 0.00 H new ATOM 0 HG LEU A 488 8.442 -0.517 5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 488 6.078 -1.071 6.141 1.00 0.00 H new ATOM 0 HD12 LEU A 488 6.544 0.458 6.924 1.00 0.00 H new ATOM 0 HD13 LEU A 488 5.593 0.482 5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 488 7.163 -1.782 4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 488 6.721 -0.257 3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 488 8.424 -0.773 3.294 1.00 0.00 H new ATOM 660 N LYS A 489 9.208 3.597 2.724 1.00 0.00 N ATOM 661 CA LYS A 489 9.404 5.002 2.388 1.00 0.00 C ATOM 662 C LYS A 489 8.476 5.892 3.209 1.00 0.00 C ATOM 663 O LYS A 489 8.892 6.927 3.730 1.00 0.00 O ATOM 664 CB LYS A 489 9.156 5.230 0.895 1.00 0.00 C ATOM 665 CG LYS A 489 10.319 4.806 0.014 1.00 0.00 C ATOM 666 CD LYS A 489 10.144 5.296 -1.414 1.00 0.00 C ATOM 667 CE LYS A 489 11.486 5.520 -2.094 1.00 0.00 C ATOM 668 NZ LYS A 489 12.139 6.777 -1.633 1.00 0.00 N ATOM 0 H LYS A 489 8.693 3.064 2.023 1.00 0.00 H new ATOM 0 HA LYS A 489 10.435 5.266 2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 489 8.264 4.680 0.595 1.00 0.00 H new ATOM 0 HB3 LYS A 489 8.950 6.287 0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 489 11.249 5.200 0.423 1.00 0.00 H new ATOM 0 HG3 LYS A 489 10.403 3.719 0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 489 9.564 4.568 -1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 489 9.575 6.226 -1.414 1.00 0.00 H new ATOM 0 HE2 LYS A 489 12.142 4.674 -1.890 1.00 0.00 H new ATOM 0 HE3 LYS A 489 11.344 5.560 -3.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 489 12.981 6.964 -2.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 489 11.472 7.569 -1.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 489 12.421 6.677 -0.637 1.00 0.00 H new ATOM 682 N THR A 490 7.217 5.482 3.322 1.00 0.00 N ATOM 683 CA THR A 490 6.231 6.241 4.081 1.00 0.00 C ATOM 684 C THR A 490 4.919 5.475 4.199 1.00 0.00 C ATOM 685 O THR A 490 4.562 4.694 3.316 1.00 0.00 O ATOM 686 CB THR A 490 5.955 7.610 3.431 1.00 0.00 C ATOM 687 OG1 THR A 490 4.992 8.335 4.204 1.00 0.00 O ATOM 688 CG2 THR A 490 5.447 7.441 2.007 1.00 0.00 C ATOM 0 H THR A 490 6.856 4.628 2.897 1.00 0.00 H new ATOM 0 HA THR A 490 6.649 6.396 5.076 1.00 0.00 H new ATOM 0 HB THR A 490 6.891 8.168 3.402 1.00 0.00 H new ATOM 0 HG1 THR A 490 4.824 9.205 3.785 1.00 0.00 H new ATOM 0 HG21 THR A 490 5.259 8.421 1.569 1.00 0.00 H new ATOM 0 HG22 THR A 490 6.195 6.916 1.414 1.00 0.00 H new ATOM 0 HG23 THR A 490 4.522 6.865 2.017 1.00 0.00 H new ATOM 696 N VAL A 491 4.202 5.702 5.296 1.00 0.00 N ATOM 697 CA VAL A 491 2.928 5.034 5.529 1.00 0.00 C ATOM 698 C VAL A 491 1.793 6.043 5.655 1.00 0.00 C ATOM 699 O VAL A 491 1.834 6.937 6.500 1.00 0.00 O ATOM 700 CB VAL A 491 2.973 4.167 6.802 1.00 0.00 C ATOM 701 CG1 VAL A 491 1.566 3.801 7.249 1.00 0.00 C ATOM 702 CG2 VAL A 491 3.808 2.918 6.566 1.00 0.00 C ATOM 0 H VAL A 491 4.483 6.344 6.037 1.00 0.00 H new ATOM 0 HA VAL A 491 2.745 4.392 4.667 1.00 0.00 H new ATOM 0 HB VAL A 491 3.442 4.745 7.598 1.00 0.00 H new ATOM 0 HG11 VAL A 491 1.618 3.189 8.149 1.00 0.00 H new ATOM 0 HG12 VAL A 491 1.003 4.710 7.461 1.00 0.00 H new ATOM 0 HG13 VAL A 491 1.067 3.241 6.458 1.00 0.00 H new ATOM 0 HG21 VAL A 491 3.829 2.317 7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 491 3.370 2.335 5.756 1.00 0.00 H new ATOM 0 HG23 VAL A 491 4.825 3.205 6.297 1.00 0.00 H new ATOM 712 N ARG A 492 0.779 5.895 4.808 1.00 0.00 N ATOM 713 CA ARG A 492 -0.368 6.795 4.823 1.00 0.00 C ATOM 714 C ARG A 492 -1.640 6.046 5.209 1.00 0.00 C ATOM 715 O ARG A 492 -2.031 5.083 4.549 1.00 0.00 O ATOM 716 CB ARG A 492 -0.546 7.452 3.454 1.00 0.00 C ATOM 717 CG ARG A 492 0.636 8.311 3.033 1.00 0.00 C ATOM 718 CD ARG A 492 0.393 8.969 1.683 1.00 0.00 C ATOM 719 NE ARG A 492 -0.296 10.250 1.815 1.00 0.00 N ATOM 720 CZ ARG A 492 0.244 11.320 2.389 1.00 0.00 C ATOM 721 NH1 ARG A 492 1.474 11.263 2.880 1.00 0.00 N ATOM 722 NH2 ARG A 492 -0.447 12.450 2.471 1.00 0.00 N ATOM 0 H ARG A 492 0.729 5.160 4.103 1.00 0.00 H new ATOM 0 HA ARG A 492 -0.182 7.569 5.568 1.00 0.00 H new ATOM 0 HB2 ARG A 492 -0.705 6.676 2.706 1.00 0.00 H new ATOM 0 HB3 ARG A 492 -1.445 8.068 3.470 1.00 0.00 H new ATOM 0 HG2 ARG A 492 0.816 9.078 3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 492 1.535 7.696 2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 492 1.346 9.121 1.177 1.00 0.00 H new ATOM 0 HD3 ARG A 492 -0.199 8.302 1.056 1.00 0.00 H new ATOM 0 HE ARG A 492 -1.244 10.328 1.446 1.00 0.00 H new ATOM 0 HH11 ARG A 492 2.008 10.396 2.818 1.00 0.00 H new ATOM 0 HH12 ARG A 492 1.886 12.086 3.320 1.00 0.00 H new ATOM 0 HH21 ARG A 492 -1.393 12.498 2.093 1.00 0.00 H new ATOM 0 HH22 ARG A 492 -0.032 13.271 2.912 1.00 0.00 H new ATOM 736 N LEU A 493 -2.282 6.495 6.282 1.00 0.00 N ATOM 737 CA LEU A 493 -3.511 5.868 6.757 1.00 0.00 C ATOM 738 C LEU A 493 -4.576 6.918 7.059 1.00 0.00 C ATOM 739 O LEU A 493 -4.283 8.018 7.526 1.00 0.00 O ATOM 740 CB LEU A 493 -3.231 5.034 8.008 1.00 0.00 C ATOM 741 CG LEU A 493 -2.846 3.574 7.769 1.00 0.00 C ATOM 742 CD1 LEU A 493 -1.345 3.445 7.559 1.00 0.00 C ATOM 743 CD2 LEU A 493 -3.300 2.705 8.932 1.00 0.00 C ATOM 0 H LEU A 493 -1.972 7.291 6.840 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.885 5.214 5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.428 5.514 8.568 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -4.118 5.056 8.641 1.00 0.00 H new ATOM 0 HG LEU A 493 -3.350 3.229 6.866 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.090 2.399 7.390 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -1.047 4.035 6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -0.821 3.808 8.443 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -3.017 1.669 8.744 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.826 3.050 9.851 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -4.383 2.772 9.036 1.00 0.00 H new ATOM 899 N ARG A 504 -11.313 4.635 7.861 1.00 0.00 N ATOM 900 CA ARG A 504 -11.592 3.822 6.684 1.00 0.00 C ATOM 901 C ARG A 504 -10.745 2.553 6.687 1.00 0.00 C ATOM 902 O ARG A 504 -9.660 2.520 7.265 1.00 0.00 O ATOM 903 CB ARG A 504 -11.325 4.624 5.409 1.00 0.00 C ATOM 904 CG ARG A 504 -11.772 3.917 4.140 1.00 0.00 C ATOM 905 CD ARG A 504 -13.288 3.905 4.014 1.00 0.00 C ATOM 906 NE ARG A 504 -13.796 5.130 3.402 1.00 0.00 N ATOM 907 CZ ARG A 504 -15.083 5.455 3.368 1.00 0.00 C ATOM 908 NH1 ARG A 504 -15.988 4.650 3.907 1.00 0.00 N ATOM 909 NH2 ARG A 504 -15.468 6.588 2.793 1.00 0.00 N ATOM 0 HA ARG A 504 -12.644 3.536 6.711 1.00 0.00 H new ATOM 0 HB2 ARG A 504 -11.837 5.584 5.480 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -10.258 4.836 5.340 1.00 0.00 H new ATOM 0 HG2 ARG A 504 -11.338 4.414 3.273 1.00 0.00 H new ATOM 0 HG3 ARG A 504 -11.398 2.893 4.141 1.00 0.00 H new ATOM 0 HD2 ARG A 504 -13.595 3.047 3.416 1.00 0.00 H new ATOM 0 HD3 ARG A 504 -13.733 3.782 5.001 1.00 0.00 H new ATOM 0 HE ARG A 504 -13.126 5.771 2.978 1.00 0.00 H new ATOM 0 HH11 ARG A 504 -15.696 3.778 4.349 1.00 0.00 H new ATOM 0 HH12 ARG A 504 -16.976 4.902 3.879 1.00 0.00 H new ATOM 0 HH21 ARG A 504 -14.775 7.210 2.377 1.00 0.00 H new ATOM 0 HH22 ARG A 504 -16.457 6.837 2.767 1.00 0.00 H new ATOM 923 N GLY A 505 -11.250 1.509 6.036 1.00 0.00 N ATOM 924 CA GLY A 505 -10.528 0.251 5.977 1.00 0.00 C ATOM 925 C GLY A 505 -9.609 0.167 4.774 1.00 0.00 C ATOM 926 O GLY A 505 -9.786 -0.689 3.907 1.00 0.00 O ATOM 0 H GLY A 505 -12.146 1.512 5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 505 -9.942 0.129 6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 505 -11.241 -0.573 5.944 1.00 0.00 H new ATOM 930 N PHE A 506 -8.626 1.059 4.719 1.00 0.00 N ATOM 931 CA PHE A 506 -7.677 1.084 3.611 1.00 0.00 C ATOM 932 C PHE A 506 -6.421 1.864 3.989 1.00 0.00 C ATOM 933 O PHE A 506 -6.492 2.879 4.680 1.00 0.00 O ATOM 934 CB PHE A 506 -8.324 1.705 2.372 1.00 0.00 C ATOM 935 CG PHE A 506 -8.182 3.199 2.307 1.00 0.00 C ATOM 936 CD1 PHE A 506 -8.799 4.008 3.248 1.00 0.00 C ATOM 937 CD2 PHE A 506 -7.434 3.794 1.304 1.00 0.00 C ATOM 938 CE1 PHE A 506 -8.670 5.383 3.191 1.00 0.00 C ATOM 939 CE2 PHE A 506 -7.301 5.168 1.242 1.00 0.00 C ATOM 940 CZ PHE A 506 -7.921 5.964 2.186 1.00 0.00 C ATOM 0 H PHE A 506 -8.465 1.774 5.428 1.00 0.00 H new ATOM 0 HA PHE A 506 -7.391 0.056 3.386 1.00 0.00 H new ATOM 0 HB2 PHE A 506 -7.877 1.266 1.480 1.00 0.00 H new ATOM 0 HB3 PHE A 506 -9.383 1.448 2.357 1.00 0.00 H new ATOM 0 HD1 PHE A 506 -9.387 3.559 4.035 1.00 0.00 H new ATOM 0 HD2 PHE A 506 -6.949 3.177 0.562 1.00 0.00 H new ATOM 0 HE1 PHE A 506 -9.154 6.003 3.931 1.00 0.00 H new ATOM 0 HE2 PHE A 506 -6.713 5.619 0.456 1.00 0.00 H new ATOM 0 HZ PHE A 506 -7.820 7.038 2.138 1.00 0.00 H new ATOM 950 N GLY A 507 -5.271 1.380 3.529 1.00 0.00 N ATOM 951 CA GLY A 507 -4.015 2.043 3.828 1.00 0.00 C ATOM 952 C GLY A 507 -3.014 1.927 2.696 1.00 0.00 C ATOM 953 O GLY A 507 -2.993 0.929 1.976 1.00 0.00 O ATOM 0 H GLY A 507 -5.187 0.541 2.955 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -4.204 3.096 4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 507 -3.587 1.612 4.733 1.00 0.00 H new ATOM 957 N PHE A 508 -2.183 2.952 2.536 1.00 0.00 N ATOM 958 CA PHE A 508 -1.176 2.962 1.481 1.00 0.00 C ATOM 959 C PHE A 508 0.227 2.839 2.067 1.00 0.00 C ATOM 960 O PHE A 508 0.611 3.603 2.953 1.00 0.00 O ATOM 961 CB PHE A 508 -1.286 4.245 0.655 1.00 0.00 C ATOM 962 CG PHE A 508 -2.243 4.137 -0.498 1.00 0.00 C ATOM 963 CD1 PHE A 508 -3.610 4.226 -0.291 1.00 0.00 C ATOM 964 CD2 PHE A 508 -1.776 3.946 -1.788 1.00 0.00 C ATOM 965 CE1 PHE A 508 -4.493 4.126 -1.349 1.00 0.00 C ATOM 966 CE2 PHE A 508 -2.654 3.845 -2.851 1.00 0.00 C ATOM 967 CZ PHE A 508 -4.014 3.936 -2.631 1.00 0.00 C ATOM 0 H PHE A 508 -2.187 3.786 3.123 1.00 0.00 H new ATOM 0 HA PHE A 508 -1.356 2.104 0.833 1.00 0.00 H new ATOM 0 HB2 PHE A 508 -1.604 5.060 1.305 1.00 0.00 H new ATOM 0 HB3 PHE A 508 -0.299 4.508 0.274 1.00 0.00 H new ATOM 0 HD1 PHE A 508 -3.990 4.375 0.709 1.00 0.00 H new ATOM 0 HD2 PHE A 508 -0.713 3.875 -1.965 1.00 0.00 H new ATOM 0 HE1 PHE A 508 -5.556 4.196 -1.174 1.00 0.00 H new ATOM 0 HE2 PHE A 508 -2.277 3.695 -3.852 1.00 0.00 H new ATOM 0 HZ PHE A 508 -4.702 3.859 -3.460 1.00 0.00 H new ATOM 977 N VAL A 509 0.988 1.871 1.566 1.00 0.00 N ATOM 978 CA VAL A 509 2.349 1.648 2.039 1.00 0.00 C ATOM 979 C VAL A 509 3.347 1.706 0.888 1.00 0.00 C ATOM 980 O VAL A 509 3.087 1.192 -0.200 1.00 0.00 O ATOM 981 CB VAL A 509 2.480 0.287 2.749 1.00 0.00 C ATOM 982 CG1 VAL A 509 3.934 0.002 3.093 1.00 0.00 C ATOM 983 CG2 VAL A 509 1.612 0.253 3.997 1.00 0.00 C ATOM 0 H VAL A 509 0.685 1.229 0.833 1.00 0.00 H new ATOM 0 HA VAL A 509 2.572 2.444 2.750 1.00 0.00 H new ATOM 0 HB VAL A 509 2.133 -0.493 2.071 1.00 0.00 H new ATOM 0 HG11 VAL A 509 4.007 -0.963 3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 509 4.527 -0.018 2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 509 4.311 0.783 3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 509 1.716 -0.715 4.486 1.00 0.00 H new ATOM 0 HG22 VAL A 509 1.927 1.041 4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 509 0.570 0.409 3.719 1.00 0.00 H new ATOM 993 N ASP A 510 4.491 2.335 1.135 1.00 0.00 N ATOM 994 CA ASP A 510 5.530 2.459 0.120 1.00 0.00 C ATOM 995 C ASP A 510 6.820 1.785 0.577 1.00 0.00 C ATOM 996 O ASP A 510 7.092 1.688 1.774 1.00 0.00 O ATOM 997 CB ASP A 510 5.793 3.933 -0.194 1.00 0.00 C ATOM 998 CG ASP A 510 4.705 4.545 -1.053 1.00 0.00 C ATOM 999 OD1 ASP A 510 3.556 4.642 -0.575 1.00 0.00 O ATOM 1000 OD2 ASP A 510 5.002 4.926 -2.205 1.00 0.00 O ATOM 0 H ASP A 510 4.722 2.767 2.030 1.00 0.00 H new ATOM 0 HA ASP A 510 5.181 1.960 -0.784 1.00 0.00 H new ATOM 0 HB2 ASP A 510 5.873 4.491 0.739 1.00 0.00 H new ATOM 0 HB3 ASP A 510 6.751 4.027 -0.705 1.00 0.00 H new ATOM 1005 N PHE A 511 7.612 1.320 -0.384 1.00 0.00 N ATOM 1006 CA PHE A 511 8.873 0.654 -0.080 1.00 0.00 C ATOM 1007 C PHE A 511 10.043 1.373 -0.746 1.00 0.00 C ATOM 1008 O PHE A 511 9.898 1.950 -1.824 1.00 0.00 O ATOM 1009 CB PHE A 511 8.827 -0.805 -0.541 1.00 0.00 C ATOM 1010 CG PHE A 511 8.312 -1.749 0.508 1.00 0.00 C ATOM 1011 CD1 PHE A 511 6.966 -1.775 0.834 1.00 0.00 C ATOM 1012 CD2 PHE A 511 9.174 -2.610 1.166 1.00 0.00 C ATOM 1013 CE1 PHE A 511 6.490 -2.642 1.799 1.00 0.00 C ATOM 1014 CE2 PHE A 511 8.704 -3.480 2.132 1.00 0.00 C ATOM 1015 CZ PHE A 511 7.359 -3.497 2.448 1.00 0.00 C ATOM 0 H PHE A 511 7.403 1.392 -1.380 1.00 0.00 H new ATOM 0 HA PHE A 511 9.019 0.683 1.000 1.00 0.00 H new ATOM 0 HB2 PHE A 511 8.195 -0.878 -1.426 1.00 0.00 H new ATOM 0 HB3 PHE A 511 9.829 -1.116 -0.838 1.00 0.00 H new ATOM 0 HD1 PHE A 511 6.281 -1.110 0.328 1.00 0.00 H new ATOM 0 HD2 PHE A 511 10.226 -2.602 0.922 1.00 0.00 H new ATOM 0 HE1 PHE A 511 5.439 -2.651 2.046 1.00 0.00 H new ATOM 0 HE2 PHE A 511 9.387 -4.145 2.639 1.00 0.00 H new ATOM 0 HZ PHE A 511 6.988 -4.177 3.201 1.00 0.00 H new ATOM 1025 N ILE A 512 11.201 1.334 -0.095 1.00 0.00 N ATOM 1026 CA ILE A 512 12.395 1.981 -0.623 1.00 0.00 C ATOM 1027 C ILE A 512 12.685 1.520 -2.048 1.00 0.00 C ATOM 1028 O ILE A 512 13.002 2.328 -2.922 1.00 0.00 O ATOM 1029 CB ILE A 512 13.626 1.695 0.257 1.00 0.00 C ATOM 1030 CG1 ILE A 512 13.355 2.116 1.703 1.00 0.00 C ATOM 1031 CG2 ILE A 512 14.848 2.418 -0.290 1.00 0.00 C ATOM 1032 CD1 ILE A 512 12.954 3.567 1.845 1.00 0.00 C ATOM 0 H ILE A 512 11.337 0.861 0.799 1.00 0.00 H new ATOM 0 HA ILE A 512 12.199 3.053 -0.623 1.00 0.00 H new ATOM 0 HB ILE A 512 13.824 0.623 0.241 1.00 0.00 H new ATOM 0 HG12 ILE A 512 12.565 1.487 2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 512 14.249 1.935 2.299 1.00 0.00 H new ATOM 0 HG21 ILE A 512 15.710 2.206 0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 512 15.050 2.075 -1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 512 14.661 3.492 -0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 512 12.778 3.795 2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 512 13.753 4.204 1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 512 12.042 3.750 1.276 1.00 0.00 H new ATOM 1044 N THR A 513 12.573 0.215 -2.277 1.00 0.00 N ATOM 1045 CA THR A 513 12.823 -0.353 -3.595 1.00 0.00 C ATOM 1046 C THR A 513 11.698 -1.296 -4.009 1.00 0.00 C ATOM 1047 O THR A 513 10.774 -1.553 -3.237 1.00 0.00 O ATOM 1048 CB THR A 513 14.159 -1.119 -3.633 1.00 0.00 C ATOM 1049 OG1 THR A 513 14.071 -2.298 -2.826 1.00 0.00 O ATOM 1050 CG2 THR A 513 15.299 -0.242 -3.138 1.00 0.00 C ATOM 0 H THR A 513 12.311 -0.468 -1.566 1.00 0.00 H new ATOM 0 HA THR A 513 12.871 0.481 -4.295 1.00 0.00 H new ATOM 0 HB THR A 513 14.362 -1.402 -4.666 1.00 0.00 H new ATOM 0 HG1 THR A 513 14.924 -2.780 -2.857 1.00 0.00 H new ATOM 0 HG21 THR A 513 16.232 -0.804 -3.174 1.00 0.00 H new ATOM 0 HG22 THR A 513 15.382 0.640 -3.773 1.00 0.00 H new ATOM 0 HG23 THR A 513 15.101 0.067 -2.112 1.00 0.00 H new ATOM 1058 N LYS A 514 11.783 -1.809 -5.232 1.00 0.00 N ATOM 1059 CA LYS A 514 10.773 -2.725 -5.749 1.00 0.00 C ATOM 1060 C LYS A 514 10.998 -4.138 -5.218 1.00 0.00 C ATOM 1061 O LYS A 514 10.045 -4.874 -4.967 1.00 0.00 O ATOM 1062 CB LYS A 514 10.798 -2.734 -7.279 1.00 0.00 C ATOM 1063 CG LYS A 514 10.050 -1.570 -7.906 1.00 0.00 C ATOM 1064 CD LYS A 514 10.936 -0.343 -8.035 1.00 0.00 C ATOM 1065 CE LYS A 514 11.725 -0.358 -9.335 1.00 0.00 C ATOM 1066 NZ LYS A 514 12.533 0.880 -9.509 1.00 0.00 N ATOM 0 H LYS A 514 12.541 -1.606 -5.884 1.00 0.00 H new ATOM 0 HA LYS A 514 9.797 -2.379 -5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 514 11.834 -2.714 -7.617 1.00 0.00 H new ATOM 0 HB3 LYS A 514 10.364 -3.668 -7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 514 9.683 -1.860 -8.891 1.00 0.00 H new ATOM 0 HG3 LYS A 514 9.177 -1.328 -7.299 1.00 0.00 H new ATOM 0 HD2 LYS A 514 10.322 0.556 -7.992 1.00 0.00 H new ATOM 0 HD3 LYS A 514 11.624 -0.300 -7.191 1.00 0.00 H new ATOM 0 HE2 LYS A 514 12.384 -1.226 -9.350 1.00 0.00 H new ATOM 0 HE3 LYS A 514 11.039 -0.464 -10.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 514 13.056 0.830 -10.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 514 11.903 1.707 -9.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 514 13.206 0.969 -8.721 1.00 0.00 H new ATOM 1080 N GLN A 515 12.263 -4.507 -5.050 1.00 0.00 N ATOM 1081 CA GLN A 515 12.612 -5.832 -4.548 1.00 0.00 C ATOM 1082 C GLN A 515 11.783 -6.183 -3.317 1.00 0.00 C ATOM 1083 O GLN A 515 11.019 -7.149 -3.326 1.00 0.00 O ATOM 1084 CB GLN A 515 14.102 -5.896 -4.209 1.00 0.00 C ATOM 1085 CG GLN A 515 15.006 -5.846 -5.430 1.00 0.00 C ATOM 1086 CD GLN A 515 16.421 -6.297 -5.127 1.00 0.00 C ATOM 1087 OE1 GLN A 515 17.359 -5.499 -5.157 1.00 0.00 O ATOM 1088 NE2 GLN A 515 16.584 -7.581 -4.833 1.00 0.00 N ATOM 0 H GLN A 515 13.063 -3.908 -5.254 1.00 0.00 H new ATOM 0 HA GLN A 515 12.393 -6.559 -5.330 1.00 0.00 H new ATOM 0 HB2 GLN A 515 14.352 -5.066 -3.548 1.00 0.00 H new ATOM 0 HB3 GLN A 515 14.301 -6.814 -3.657 1.00 0.00 H new ATOM 0 HG2 GLN A 515 14.587 -6.478 -6.213 1.00 0.00 H new ATOM 0 HG3 GLN A 515 15.029 -4.828 -5.819 1.00 0.00 H new ATOM 0 HE21 GLN A 515 15.779 -8.207 -4.820 1.00 0.00 H new ATOM 0 HE22 GLN A 515 17.514 -7.941 -4.620 1.00 0.00 H new ATOM 1097 N ASP A 516 11.938 -5.393 -2.260 1.00 0.00 N ATOM 1098 CA ASP A 516 11.203 -5.620 -1.021 1.00 0.00 C ATOM 1099 C ASP A 516 9.700 -5.506 -1.253 1.00 0.00 C ATOM 1100 O ASP A 516 8.923 -6.325 -0.763 1.00 0.00 O ATOM 1101 CB ASP A 516 11.644 -4.621 0.049 1.00 0.00 C ATOM 1102 CG ASP A 516 12.924 -5.043 0.744 1.00 0.00 C ATOM 1103 OD1 ASP A 516 12.954 -6.158 1.306 1.00 0.00 O ATOM 1104 OD2 ASP A 516 13.895 -4.259 0.725 1.00 0.00 O ATOM 0 H ASP A 516 12.566 -4.590 -2.236 1.00 0.00 H new ATOM 0 HA ASP A 516 11.424 -6.630 -0.676 1.00 0.00 H new ATOM 0 HB2 ASP A 516 11.789 -3.643 -0.409 1.00 0.00 H new ATOM 0 HB3 ASP A 516 10.851 -4.512 0.789 1.00 0.00 H new ATOM 1109 N ALA A 517 9.297 -4.485 -2.002 1.00 0.00 N ATOM 1110 CA ALA A 517 7.887 -4.265 -2.299 1.00 0.00 C ATOM 1111 C ALA A 517 7.218 -5.551 -2.770 1.00 0.00 C ATOM 1112 O ALA A 517 6.272 -6.036 -2.148 1.00 0.00 O ATOM 1113 CB ALA A 517 7.733 -3.172 -3.347 1.00 0.00 C ATOM 0 H ALA A 517 9.927 -3.797 -2.414 1.00 0.00 H new ATOM 0 HA ALA A 517 7.393 -3.945 -1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 517 6.675 -3.018 -3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 517 8.167 -2.245 -2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 517 8.247 -3.469 -4.261 1.00 0.00 H new ATOM 1119 N LYS A 518 7.713 -6.100 -3.874 1.00 0.00 N ATOM 1120 CA LYS A 518 7.164 -7.331 -4.430 1.00 0.00 C ATOM 1121 C LYS A 518 7.177 -8.450 -3.393 1.00 0.00 C ATOM 1122 O LYS A 518 6.145 -9.057 -3.106 1.00 0.00 O ATOM 1123 CB LYS A 518 7.961 -7.757 -5.665 1.00 0.00 C ATOM 1124 CG LYS A 518 7.440 -7.159 -6.961 1.00 0.00 C ATOM 1125 CD LYS A 518 8.545 -7.018 -7.994 1.00 0.00 C ATOM 1126 CE LYS A 518 8.665 -8.266 -8.856 1.00 0.00 C ATOM 1127 NZ LYS A 518 9.600 -9.262 -8.263 1.00 0.00 N ATOM 0 H LYS A 518 8.494 -5.711 -4.402 1.00 0.00 H new ATOM 0 HA LYS A 518 6.131 -7.140 -4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 518 9.003 -7.465 -5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 518 7.942 -8.844 -5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 518 6.646 -7.790 -7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 518 7.001 -6.182 -6.761 1.00 0.00 H new ATOM 0 HD2 LYS A 518 8.344 -6.155 -8.628 1.00 0.00 H new ATOM 0 HD3 LYS A 518 9.493 -6.830 -7.491 1.00 0.00 H new ATOM 0 HE2 LYS A 518 7.681 -8.719 -8.978 1.00 0.00 H new ATOM 0 HE3 LYS A 518 9.013 -7.988 -9.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 9.654 -10.097 -8.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 10.545 -8.838 -8.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 9.254 -9.547 -7.324 1.00 0.00 H new ATOM 1141 N LYS A 519 8.352 -8.717 -2.832 1.00 0.00 N ATOM 1142 CA LYS A 519 8.500 -9.760 -1.825 1.00 0.00 C ATOM 1143 C LYS A 519 7.426 -9.634 -0.749 1.00 0.00 C ATOM 1144 O LYS A 519 6.508 -10.450 -0.677 1.00 0.00 O ATOM 1145 CB LYS A 519 9.889 -9.687 -1.185 1.00 0.00 C ATOM 1146 CG LYS A 519 10.941 -10.497 -1.923 1.00 0.00 C ATOM 1147 CD LYS A 519 12.341 -9.973 -1.649 1.00 0.00 C ATOM 1148 CE LYS A 519 12.856 -10.440 -0.296 1.00 0.00 C ATOM 1149 NZ LYS A 519 14.078 -9.696 0.119 1.00 0.00 N ATOM 0 H LYS A 519 9.216 -8.224 -3.058 1.00 0.00 H new ATOM 0 HA LYS A 519 8.384 -10.725 -2.318 1.00 0.00 H new ATOM 0 HB2 LYS A 519 10.207 -8.645 -1.144 1.00 0.00 H new ATOM 0 HB3 LYS A 519 9.825 -10.041 -0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 519 10.877 -11.542 -1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 519 10.742 -10.464 -2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 519 13.017 -10.312 -2.434 1.00 0.00 H new ATOM 0 HD3 LYS A 519 12.336 -8.883 -1.681 1.00 0.00 H new ATOM 0 HE2 LYS A 519 12.077 -10.307 0.455 1.00 0.00 H new ATOM 0 HE3 LYS A 519 13.077 -11.506 -0.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 14.398 -10.043 1.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 14.830 -9.843 -0.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 13.861 -8.681 0.186 1.00 0.00 H new ATOM 1163 N ALA A 520 7.548 -8.605 0.084 1.00 0.00 N ATOM 1164 CA ALA A 520 6.585 -8.371 1.153 1.00 0.00 C ATOM 1165 C ALA A 520 5.162 -8.647 0.681 1.00 0.00 C ATOM 1166 O ALA A 520 4.510 -9.578 1.154 1.00 0.00 O ATOM 1167 CB ALA A 520 6.705 -6.944 1.668 1.00 0.00 C ATOM 0 H ALA A 520 8.303 -7.921 0.039 1.00 0.00 H new ATOM 0 HA ALA A 520 6.809 -9.060 1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 520 5.980 -6.783 2.466 1.00 0.00 H new ATOM 0 HB2 ALA A 520 7.711 -6.780 2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 520 6.510 -6.246 0.854 1.00 0.00 H new ATOM 1173 N PHE A 521 4.684 -7.831 -0.253 1.00 0.00 N ATOM 1174 CA PHE A 521 3.337 -7.986 -0.788 1.00 0.00 C ATOM 1175 C PHE A 521 3.032 -9.453 -1.075 1.00 0.00 C ATOM 1176 O PHE A 521 2.053 -10.005 -0.573 1.00 0.00 O ATOM 1177 CB PHE A 521 3.174 -7.160 -2.065 1.00 0.00 C ATOM 1178 CG PHE A 521 1.842 -7.347 -2.734 1.00 0.00 C ATOM 1179 CD1 PHE A 521 1.534 -8.537 -3.373 1.00 0.00 C ATOM 1180 CD2 PHE A 521 0.898 -6.333 -2.724 1.00 0.00 C ATOM 1181 CE1 PHE A 521 0.310 -8.712 -3.990 1.00 0.00 C ATOM 1182 CE2 PHE A 521 -0.328 -6.502 -3.339 1.00 0.00 C ATOM 1183 CZ PHE A 521 -0.623 -7.693 -3.972 1.00 0.00 C ATOM 0 H PHE A 521 5.210 -7.055 -0.655 1.00 0.00 H new ATOM 0 HA PHE A 521 2.632 -7.626 -0.039 1.00 0.00 H new ATOM 0 HB2 PHE A 521 3.306 -6.105 -1.825 1.00 0.00 H new ATOM 0 HB3 PHE A 521 3.964 -7.429 -2.766 1.00 0.00 H new ATOM 0 HD1 PHE A 521 2.259 -9.337 -3.389 1.00 0.00 H new ATOM 0 HD2 PHE A 521 1.123 -5.399 -2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 521 0.083 -9.644 -4.486 1.00 0.00 H new ATOM 0 HE2 PHE A 521 -1.055 -5.703 -3.324 1.00 0.00 H new ATOM 0 HZ PHE A 521 -1.581 -7.828 -4.452 1.00 0.00 H new ATOM 1193 N ASN A 522 3.877 -10.079 -1.888 1.00 0.00 N ATOM 1194 CA ASN A 522 3.698 -11.482 -2.244 1.00 0.00 C ATOM 1195 C ASN A 522 3.398 -12.323 -1.008 1.00 0.00 C ATOM 1196 O ASN A 522 2.645 -13.294 -1.073 1.00 0.00 O ATOM 1197 CB ASN A 522 4.948 -12.015 -2.946 1.00 0.00 C ATOM 1198 CG ASN A 522 4.672 -13.276 -3.741 1.00 0.00 C ATOM 1199 OD1 ASN A 522 3.532 -13.733 -3.825 1.00 0.00 O ATOM 1200 ND2 ASN A 522 5.717 -13.846 -4.329 1.00 0.00 N ATOM 0 H ASN A 522 4.692 -9.637 -2.313 1.00 0.00 H new ATOM 0 HA ASN A 522 2.849 -11.553 -2.924 1.00 0.00 H new ATOM 0 HB2 ASN A 522 5.342 -11.248 -3.612 1.00 0.00 H new ATOM 0 HB3 ASN A 522 5.719 -12.219 -2.203 1.00 0.00 H new ATOM 0 HD21 ASN A 522 5.592 -14.697 -4.877 1.00 0.00 H new ATOM 0 HD22 ASN A 522 6.645 -13.433 -4.233 1.00 0.00 H new ATOM 1207 N ALA A 523 3.992 -11.942 0.119 1.00 0.00 N ATOM 1208 CA ALA A 523 3.786 -12.659 1.371 1.00 0.00 C ATOM 1209 C ALA A 523 2.491 -12.223 2.047 1.00 0.00 C ATOM 1210 O ALA A 523 1.685 -13.056 2.465 1.00 0.00 O ATOM 1211 CB ALA A 523 4.969 -12.443 2.303 1.00 0.00 C ATOM 0 H ALA A 523 4.619 -11.141 0.190 1.00 0.00 H new ATOM 0 HA ALA A 523 3.706 -13.722 1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 523 4.802 -12.984 3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 523 5.878 -12.811 1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 523 5.075 -11.379 2.515 1.00 0.00 H new ATOM 1217 N LEU A 524 2.295 -10.913 2.152 1.00 0.00 N ATOM 1218 CA LEU A 524 1.097 -10.366 2.778 1.00 0.00 C ATOM 1219 C LEU A 524 -0.158 -10.814 2.037 1.00 0.00 C ATOM 1220 O LEU A 524 -1.041 -11.448 2.617 1.00 0.00 O ATOM 1221 CB LEU A 524 1.167 -8.838 2.810 1.00 0.00 C ATOM 1222 CG LEU A 524 2.018 -8.228 3.924 1.00 0.00 C ATOM 1223 CD1 LEU A 524 1.475 -8.624 5.288 1.00 0.00 C ATOM 1224 CD2 LEU A 524 3.471 -8.657 3.781 1.00 0.00 C ATOM 0 H LEU A 524 2.951 -10.210 1.811 1.00 0.00 H new ATOM 0 HA LEU A 524 1.046 -10.743 3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 524 1.556 -8.492 1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 524 0.153 -8.450 2.901 1.00 0.00 H new ATOM 0 HG LEU A 524 1.971 -7.142 3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 524 2.093 -8.181 6.068 1.00 0.00 H new ATOM 0 HD12 LEU A 524 0.450 -8.266 5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 524 1.491 -9.710 5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 524 4.062 -8.213 4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 524 3.537 -9.743 3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 524 3.856 -8.322 2.818 1.00 0.00 H new ATOM 1236 N CYS A 525 -0.230 -10.483 0.752 1.00 0.00 N ATOM 1237 CA CYS A 525 -1.377 -10.852 -0.070 1.00 0.00 C ATOM 1238 C CYS A 525 -1.696 -12.336 0.078 1.00 0.00 C ATOM 1239 O CYS A 525 -2.854 -12.720 0.245 1.00 0.00 O ATOM 1240 CB CYS A 525 -1.107 -10.520 -1.538 1.00 0.00 C ATOM 1241 SG CYS A 525 0.014 -11.674 -2.362 1.00 0.00 S ATOM 0 H CYS A 525 0.492 -9.960 0.257 1.00 0.00 H new ATOM 0 HA CYS A 525 -2.238 -10.278 0.272 1.00 0.00 H new ATOM 0 HB2 CYS A 525 -2.055 -10.504 -2.076 1.00 0.00 H new ATOM 0 HB3 CYS A 525 -0.688 -9.516 -1.601 1.00 0.00 H new ATOM 0 HG CYS A 525 0.712 -11.038 -3.256 1.00 0.00 H new ATOM 1247 N HIS A 526 -0.661 -13.168 0.013 1.00 0.00 N ATOM 1248 CA HIS A 526 -0.831 -14.611 0.138 1.00 0.00 C ATOM 1249 C HIS A 526 -1.908 -14.944 1.167 1.00 0.00 C ATOM 1250 O HIS A 526 -2.877 -15.640 0.862 1.00 0.00 O ATOM 1251 CB HIS A 526 0.491 -15.269 0.535 1.00 0.00 C ATOM 1252 CG HIS A 526 0.417 -16.763 0.612 1.00 0.00 C ATOM 1253 ND1 HIS A 526 0.738 -17.475 1.749 1.00 0.00 N ATOM 1254 CD2 HIS A 526 0.054 -17.681 -0.315 1.00 0.00 C ATOM 1255 CE1 HIS A 526 0.577 -18.766 1.517 1.00 0.00 C ATOM 1256 NE2 HIS A 526 0.163 -18.917 0.272 1.00 0.00 N ATOM 0 H HIS A 526 0.304 -12.867 -0.125 1.00 0.00 H new ATOM 0 HA HIS A 526 -1.146 -15.000 -0.830 1.00 0.00 H new ATOM 0 HB2 HIS A 526 1.258 -14.988 -0.187 1.00 0.00 H new ATOM 0 HB3 HIS A 526 0.805 -14.879 1.503 1.00 0.00 H new ATOM 0 HD2 HIS A 526 -0.262 -17.478 -1.328 1.00 0.00 H new ATOM 0 HE1 HIS A 526 0.754 -19.562 2.225 1.00 0.00 H new ATOM 0 HE2 HIS A 526 -0.042 -19.808 -0.180 1.00 0.00 H new ATOM 1264 N SER A 527 -1.730 -14.444 2.385 1.00 0.00 N ATOM 1265 CA SER A 527 -2.684 -14.692 3.460 1.00 0.00 C ATOM 1266 C SER A 527 -2.315 -13.897 4.709 1.00 0.00 C ATOM 1267 O SER A 527 -1.368 -14.238 5.419 1.00 0.00 O ATOM 1268 CB SER A 527 -2.737 -16.185 3.789 1.00 0.00 C ATOM 1269 OG SER A 527 -3.997 -16.544 4.329 1.00 0.00 O ATOM 0 H SER A 527 -0.934 -13.865 2.653 1.00 0.00 H new ATOM 0 HA SER A 527 -3.668 -14.367 3.121 1.00 0.00 H new ATOM 0 HB2 SER A 527 -2.545 -16.766 2.887 1.00 0.00 H new ATOM 0 HB3 SER A 527 -1.949 -16.432 4.501 1.00 0.00 H new ATOM 0 HG SER A 527 -4.006 -17.503 4.530 1.00 0.00 H new ATOM 1275 N THR A 528 -3.069 -12.835 4.971 1.00 0.00 N ATOM 1276 CA THR A 528 -2.822 -11.990 6.133 1.00 0.00 C ATOM 1277 C THR A 528 -4.073 -11.857 6.992 1.00 0.00 C ATOM 1278 O THR A 528 -5.112 -11.386 6.527 1.00 0.00 O ATOM 1279 CB THR A 528 -2.348 -10.585 5.715 1.00 0.00 C ATOM 1280 OG1 THR A 528 -1.106 -10.677 5.008 1.00 0.00 O ATOM 1281 CG2 THR A 528 -2.180 -9.686 6.931 1.00 0.00 C ATOM 0 H THR A 528 -3.856 -12.539 4.394 1.00 0.00 H new ATOM 0 HA THR A 528 -2.036 -12.473 6.714 1.00 0.00 H new ATOM 0 HB THR A 528 -3.105 -10.149 5.063 1.00 0.00 H new ATOM 0 HG1 THR A 528 -1.202 -11.300 4.257 1.00 0.00 H new ATOM 0 HG21 THR A 528 -1.845 -8.700 6.611 1.00 0.00 H new ATOM 0 HG22 THR A 528 -3.134 -9.594 7.450 1.00 0.00 H new ATOM 0 HG23 THR A 528 -1.441 -10.119 7.605 1.00 0.00 H new ATOM 1289 N HIS A 529 -3.969 -12.273 8.250 1.00 0.00 N ATOM 1290 CA HIS A 529 -5.094 -12.199 9.176 1.00 0.00 C ATOM 1291 C HIS A 529 -4.757 -11.310 10.369 1.00 0.00 C ATOM 1292 O HIS A 529 -3.847 -11.610 11.144 1.00 0.00 O ATOM 1293 CB HIS A 529 -5.476 -13.598 9.660 1.00 0.00 C ATOM 1294 CG HIS A 529 -5.701 -14.576 8.548 1.00 0.00 C ATOM 1295 ND1 HIS A 529 -5.980 -14.192 7.253 1.00 0.00 N ATOM 1296 CD2 HIS A 529 -5.684 -15.929 8.542 1.00 0.00 C ATOM 1297 CE1 HIS A 529 -6.127 -15.267 6.499 1.00 0.00 C ATOM 1298 NE2 HIS A 529 -5.952 -16.334 7.257 1.00 0.00 N ATOM 0 H HIS A 529 -3.117 -12.665 8.652 1.00 0.00 H new ATOM 0 HA HIS A 529 -5.941 -11.762 8.647 1.00 0.00 H new ATOM 0 HB2 HIS A 529 -4.688 -13.976 10.311 1.00 0.00 H new ATOM 0 HB3 HIS A 529 -6.382 -13.530 10.262 1.00 0.00 H new ATOM 0 HD2 HIS A 529 -5.495 -16.571 9.390 1.00 0.00 H new ATOM 0 HE1 HIS A 529 -6.352 -15.272 5.443 1.00 0.00 H new ATOM 0 HE2 HIS A 529 -6.007 -17.302 6.940 1.00 0.00 H new ATOM 1306 N LEU A 530 -5.495 -10.215 10.512 1.00 0.00 N ATOM 1307 CA LEU A 530 -5.275 -9.281 11.610 1.00 0.00 C ATOM 1308 C LEU A 530 -6.559 -9.059 12.403 1.00 0.00 C ATOM 1309 O LEU A 530 -7.571 -8.623 11.855 1.00 0.00 O ATOM 1310 CB LEU A 530 -4.756 -7.945 11.074 1.00 0.00 C ATOM 1311 CG LEU A 530 -4.093 -7.023 12.098 1.00 0.00 C ATOM 1312 CD1 LEU A 530 -2.701 -7.525 12.447 1.00 0.00 C ATOM 1313 CD2 LEU A 530 -4.031 -5.597 11.570 1.00 0.00 C ATOM 0 H LEU A 530 -6.252 -9.952 9.881 1.00 0.00 H new ATOM 0 HA LEU A 530 -4.528 -9.713 12.276 1.00 0.00 H new ATOM 0 HB2 LEU A 530 -4.038 -8.149 10.280 1.00 0.00 H new ATOM 0 HB3 LEU A 530 -5.590 -7.410 10.619 1.00 0.00 H new ATOM 0 HG LEU A 530 -4.696 -7.027 13.006 1.00 0.00 H new ATOM 0 HD11 LEU A 530 -2.245 -6.856 13.177 1.00 0.00 H new ATOM 0 HD12 LEU A 530 -2.771 -8.528 12.868 1.00 0.00 H new ATOM 0 HD13 LEU A 530 -2.087 -7.552 11.546 1.00 0.00 H new ATOM 0 HD21 LEU A 530 -3.556 -4.955 12.312 1.00 0.00 H new ATOM 0 HD22 LEU A 530 -3.451 -5.576 10.647 1.00 0.00 H new ATOM 0 HD23 LEU A 530 -5.041 -5.238 11.372 1.00 0.00 H new ATOM 1325 N TYR A 531 -6.510 -9.361 13.696 1.00 0.00 N ATOM 1326 CA TYR A 531 -7.669 -9.195 14.564 1.00 0.00 C ATOM 1327 C TYR A 531 -8.851 -10.016 14.057 1.00 0.00 C ATOM 1328 O TYR A 531 -10.007 -9.625 14.216 1.00 0.00 O ATOM 1329 CB TYR A 531 -8.060 -7.719 14.652 1.00 0.00 C ATOM 1330 CG TYR A 531 -6.998 -6.848 15.284 1.00 0.00 C ATOM 1331 CD1 TYR A 531 -6.636 -7.015 16.615 1.00 0.00 C ATOM 1332 CD2 TYR A 531 -6.355 -5.860 14.549 1.00 0.00 C ATOM 1333 CE1 TYR A 531 -5.667 -6.221 17.197 1.00 0.00 C ATOM 1334 CE2 TYR A 531 -5.383 -5.062 15.123 1.00 0.00 C ATOM 1335 CZ TYR A 531 -5.043 -5.246 16.446 1.00 0.00 C ATOM 1336 OH TYR A 531 -4.076 -4.454 17.022 1.00 0.00 O ATOM 0 H TYR A 531 -5.680 -9.722 14.166 1.00 0.00 H new ATOM 0 HA TYR A 531 -7.400 -9.553 15.558 1.00 0.00 H new ATOM 0 HB2 TYR A 531 -8.273 -7.348 13.650 1.00 0.00 H new ATOM 0 HB3 TYR A 531 -8.981 -7.630 15.228 1.00 0.00 H new ATOM 0 HD1 TYR A 531 -7.121 -7.779 17.205 1.00 0.00 H new ATOM 0 HD2 TYR A 531 -6.619 -5.713 13.512 1.00 0.00 H new ATOM 0 HE1 TYR A 531 -5.399 -6.363 18.234 1.00 0.00 H new ATOM 0 HE2 TYR A 531 -4.893 -4.298 14.538 1.00 0.00 H new ATOM 0 HH TYR A 531 -3.735 -3.819 16.358 1.00 0.00 H new ATOM 1346 N GLY A 532 -8.551 -11.159 13.446 1.00 0.00 N ATOM 1347 CA GLY A 532 -9.598 -12.019 12.925 1.00 0.00 C ATOM 1348 C GLY A 532 -10.212 -11.477 11.650 1.00 0.00 C ATOM 1349 O GLY A 532 -11.399 -11.679 11.389 1.00 0.00 O ATOM 0 H GLY A 532 -7.602 -11.504 13.303 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -9.188 -13.011 12.734 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -10.377 -12.136 13.679 1.00 0.00 H new ATOM 1353 N ARG A 533 -9.405 -10.784 10.854 1.00 0.00 N ATOM 1354 CA ARG A 533 -9.877 -10.209 9.600 1.00 0.00 C ATOM 1355 C ARG A 533 -8.844 -10.398 8.492 1.00 0.00 C ATOM 1356 O ARG A 533 -7.687 -10.002 8.634 1.00 0.00 O ATOM 1357 CB ARG A 533 -10.180 -8.720 9.780 1.00 0.00 C ATOM 1358 CG ARG A 533 -11.373 -8.447 10.681 1.00 0.00 C ATOM 1359 CD ARG A 533 -12.084 -7.161 10.289 1.00 0.00 C ATOM 1360 NE ARG A 533 -13.511 -7.208 10.598 1.00 0.00 N ATOM 1361 CZ ARG A 533 -14.311 -6.149 10.542 1.00 0.00 C ATOM 1362 NH1 ARG A 533 -13.826 -4.966 10.190 1.00 0.00 N ATOM 1363 NH2 ARG A 533 -15.598 -6.272 10.837 1.00 0.00 N ATOM 0 H ARG A 533 -8.421 -10.607 11.055 1.00 0.00 H new ATOM 0 HA ARG A 533 -10.792 -10.728 9.313 1.00 0.00 H new ATOM 0 HB2 ARG A 533 -9.301 -8.226 10.195 1.00 0.00 H new ATOM 0 HB3 ARG A 533 -10.364 -8.274 8.802 1.00 0.00 H new ATOM 0 HG2 ARG A 533 -12.071 -9.282 10.625 1.00 0.00 H new ATOM 0 HG3 ARG A 533 -11.040 -8.379 11.717 1.00 0.00 H new ATOM 0 HD2 ARG A 533 -11.627 -6.321 10.812 1.00 0.00 H new ATOM 0 HD3 ARG A 533 -11.950 -6.983 9.222 1.00 0.00 H new ATOM 0 HE ARG A 533 -13.915 -8.103 10.872 1.00 0.00 H new ATOM 0 HH11 ARG A 533 -12.837 -4.868 9.962 1.00 0.00 H new ATOM 0 HH12 ARG A 533 -14.442 -4.154 10.148 1.00 0.00 H new ATOM 0 HH21 ARG A 533 -15.975 -7.181 11.107 1.00 0.00 H new ATOM 0 HH22 ARG A 533 -16.211 -5.458 10.794 1.00 0.00 H new ATOM 1377 N ARG A 534 -9.271 -11.006 7.390 1.00 0.00 N ATOM 1378 CA ARG A 534 -8.384 -11.249 6.259 1.00 0.00 C ATOM 1379 C ARG A 534 -8.191 -9.979 5.437 1.00 0.00 C ATOM 1380 O ARG A 534 -9.078 -9.571 4.686 1.00 0.00 O ATOM 1381 CB ARG A 534 -8.946 -12.363 5.373 1.00 0.00 C ATOM 1382 CG ARG A 534 -7.878 -13.136 4.617 1.00 0.00 C ATOM 1383 CD ARG A 534 -7.426 -12.389 3.372 1.00 0.00 C ATOM 1384 NE ARG A 534 -6.867 -13.289 2.366 1.00 0.00 N ATOM 1385 CZ ARG A 534 -7.608 -14.052 1.571 1.00 0.00 C ATOM 1386 NH1 ARG A 534 -8.930 -14.024 1.663 1.00 0.00 N ATOM 1387 NH2 ARG A 534 -7.026 -14.845 0.680 1.00 0.00 N ATOM 0 H ARG A 534 -10.226 -11.339 7.257 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.415 -11.559 6.649 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -9.515 -13.057 5.992 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -9.644 -11.929 4.657 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -7.022 -13.309 5.269 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -8.267 -14.114 4.335 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -8.272 -11.850 2.946 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -6.679 -11.644 3.647 1.00 0.00 H new ATOM 0 HE ARG A 534 -5.853 -13.334 2.269 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -9.381 -13.415 2.346 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -9.496 -14.611 1.051 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -6.009 -14.869 0.606 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -7.596 -15.431 0.070 1.00 0.00 H new ATOM 1401 N LEU A 535 -7.026 -9.357 5.583 1.00 0.00 N ATOM 1402 CA LEU A 535 -6.716 -8.132 4.854 1.00 0.00 C ATOM 1403 C LEU A 535 -6.573 -8.408 3.361 1.00 0.00 C ATOM 1404 O LEU A 535 -6.130 -9.484 2.957 1.00 0.00 O ATOM 1405 CB LEU A 535 -5.429 -7.506 5.394 1.00 0.00 C ATOM 1406 CG LEU A 535 -5.407 -7.203 6.892 1.00 0.00 C ATOM 1407 CD1 LEU A 535 -4.079 -6.580 7.292 1.00 0.00 C ATOM 1408 CD2 LEU A 535 -6.562 -6.286 7.268 1.00 0.00 C ATOM 0 H LEU A 535 -6.281 -9.681 6.199 1.00 0.00 H new ATOM 0 HA LEU A 535 -7.541 -7.434 4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 535 -4.600 -8.176 5.167 1.00 0.00 H new ATOM 0 HB3 LEU A 535 -5.246 -6.578 4.853 1.00 0.00 H new ATOM 0 HG LEU A 535 -5.522 -8.142 7.434 1.00 0.00 H new ATOM 0 HD11 LEU A 535 -4.083 -6.371 8.362 1.00 0.00 H new ATOM 0 HD12 LEU A 535 -3.268 -7.271 7.060 1.00 0.00 H new ATOM 0 HD13 LEU A 535 -3.933 -5.651 6.742 1.00 0.00 H new ATOM 0 HD21 LEU A 535 -6.530 -6.081 8.338 1.00 0.00 H new ATOM 0 HD22 LEU A 535 -6.477 -5.350 6.717 1.00 0.00 H new ATOM 0 HD23 LEU A 535 -7.507 -6.770 7.019 1.00 0.00 H new ATOM 1420 N VAL A 536 -6.949 -7.429 2.544 1.00 0.00 N ATOM 1421 CA VAL A 536 -6.860 -7.565 1.095 1.00 0.00 C ATOM 1422 C VAL A 536 -5.805 -6.627 0.519 1.00 0.00 C ATOM 1423 O VAL A 536 -5.911 -5.406 0.641 1.00 0.00 O ATOM 1424 CB VAL A 536 -8.213 -7.274 0.420 1.00 0.00 C ATOM 1425 CG1 VAL A 536 -8.080 -7.339 -1.094 1.00 0.00 C ATOM 1426 CG2 VAL A 536 -9.273 -8.248 0.912 1.00 0.00 C ATOM 0 H VAL A 536 -7.318 -6.533 2.861 1.00 0.00 H new ATOM 0 HA VAL A 536 -6.575 -8.597 0.891 1.00 0.00 H new ATOM 0 HB VAL A 536 -8.525 -6.265 0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 536 -9.046 -7.131 -1.553 1.00 0.00 H new ATOM 0 HG12 VAL A 536 -7.353 -6.599 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 536 -7.746 -8.334 -1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 536 -10.223 -8.028 0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -8.970 -9.267 0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -9.387 -8.147 1.991 1.00 0.00 H new ATOM 1436 N LEU A 537 -4.787 -7.205 -0.109 1.00 0.00 N ATOM 1437 CA LEU A 537 -3.712 -6.421 -0.706 1.00 0.00 C ATOM 1438 C LEU A 537 -3.928 -6.252 -2.206 1.00 0.00 C ATOM 1439 O LEU A 537 -4.252 -7.210 -2.907 1.00 0.00 O ATOM 1440 CB LEU A 537 -2.361 -7.090 -0.446 1.00 0.00 C ATOM 1441 CG LEU A 537 -1.650 -6.688 0.847 1.00 0.00 C ATOM 1442 CD1 LEU A 537 -2.179 -7.498 2.021 1.00 0.00 C ATOM 1443 CD2 LEU A 537 -0.146 -6.869 0.707 1.00 0.00 C ATOM 0 H LEU A 537 -4.684 -8.214 -0.218 1.00 0.00 H new ATOM 0 HA LEU A 537 -3.717 -5.434 -0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -2.509 -8.170 -0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -1.701 -6.868 -1.284 1.00 0.00 H new ATOM 0 HG LEU A 537 -1.853 -5.634 1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -1.662 -7.198 2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -3.248 -7.318 2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -2.007 -8.559 1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 537 0.344 -6.578 1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 537 0.076 -7.914 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 537 0.221 -6.245 -0.107 1.00 0.00 H new ATOM 1455 N GLU A 538 -3.745 -5.028 -2.692 1.00 0.00 N ATOM 1456 CA GLU A 538 -3.919 -4.736 -4.109 1.00 0.00 C ATOM 1457 C GLU A 538 -2.945 -3.653 -4.565 1.00 0.00 C ATOM 1458 O GLU A 538 -2.736 -2.659 -3.869 1.00 0.00 O ATOM 1459 CB GLU A 538 -5.357 -4.294 -4.389 1.00 0.00 C ATOM 1460 CG GLU A 538 -6.400 -5.318 -3.973 1.00 0.00 C ATOM 1461 CD GLU A 538 -7.818 -4.829 -4.193 1.00 0.00 C ATOM 1462 OE1 GLU A 538 -8.045 -4.082 -5.168 1.00 0.00 O ATOM 1463 OE2 GLU A 538 -8.702 -5.194 -3.389 1.00 0.00 O ATOM 0 H GLU A 538 -3.476 -4.224 -2.125 1.00 0.00 H new ATOM 0 HA GLU A 538 -3.711 -5.647 -4.669 1.00 0.00 H new ATOM 0 HB2 GLU A 538 -5.549 -3.358 -3.864 1.00 0.00 H new ATOM 0 HB3 GLU A 538 -5.465 -4.090 -5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 538 -6.245 -6.238 -4.537 1.00 0.00 H new ATOM 0 HG3 GLU A 538 -6.263 -5.563 -2.920 1.00 0.00 H new ATOM 1470 N TRP A 539 -2.353 -3.853 -5.737 1.00 0.00 N ATOM 1471 CA TRP A 539 -1.401 -2.895 -6.286 1.00 0.00 C ATOM 1472 C TRP A 539 -2.116 -1.650 -6.799 1.00 0.00 C ATOM 1473 O TRP A 539 -2.632 -1.636 -7.916 1.00 0.00 O ATOM 1474 CB TRP A 539 -0.594 -3.536 -7.415 1.00 0.00 C ATOM 1475 CG TRP A 539 0.243 -4.695 -6.964 1.00 0.00 C ATOM 1476 CD1 TRP A 539 -0.112 -6.013 -6.968 1.00 0.00 C ATOM 1477 CD2 TRP A 539 1.574 -4.638 -6.439 1.00 0.00 C ATOM 1478 NE1 TRP A 539 0.918 -6.780 -6.478 1.00 0.00 N ATOM 1479 CE2 TRP A 539 1.964 -5.959 -6.148 1.00 0.00 C ATOM 1480 CE3 TRP A 539 2.475 -3.599 -6.190 1.00 0.00 C ATOM 1481 CZ2 TRP A 539 3.215 -6.267 -5.619 1.00 0.00 C ATOM 1482 CZ3 TRP A 539 3.716 -3.906 -5.665 1.00 0.00 C ATOM 1483 CH2 TRP A 539 4.077 -5.230 -5.385 1.00 0.00 C ATOM 0 H TRP A 539 -2.516 -4.670 -6.325 1.00 0.00 H new ATOM 0 HA TRP A 539 -0.722 -2.598 -5.487 1.00 0.00 H new ATOM 0 HB2 TRP A 539 -1.277 -3.872 -8.195 1.00 0.00 H new ATOM 0 HB3 TRP A 539 0.054 -2.782 -7.862 1.00 0.00 H new ATOM 0 HD1 TRP A 539 -1.063 -6.397 -7.307 1.00 0.00 H new ATOM 0 HE1 TRP A 539 0.906 -7.795 -6.377 1.00 0.00 H new ATOM 0 HE3 TRP A 539 2.206 -2.575 -6.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 539 3.495 -7.287 -5.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 539 4.420 -3.111 -5.467 1.00 0.00 H new ATOM 0 HH2 TRP A 539 5.055 -5.437 -4.976 1.00 0.00 H new