USER MOD reduce.3.24.130724 H: found=0, std=0, add=1031, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1033 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 516 SER OG : rot -100:sc=-0.000796 USER MOD Set 1.2: A 523 MET CE :methyl 152:sc= -0.0194 (180deg=-0.196) USER MOD Set 2.1: A 497 CYS SG : rot -79:sc= 1.12 USER MOD Set 2.2: A 499 HIS : no HD1:sc= 0.268 K(o=1.4,f=-11!) USER MOD Set 3.1: A 398 LYS NZ :NH3+ 162:sc= 0.611 (180deg=-0.452) USER MOD Set 3.2: A 472 GLN : amide:sc= 0.785 K(o=1.4,f=-7!) USER MOD Set 4.1: A 430 GLN : amide:sc= 0.0641 X(o=0.13,f=-0.2) USER MOD Set 4.2: A 432 TYR OH : rot -25:sc= 0.0649 USER MOD Set 5.1: A 409 GLN : amide:sc= -0.155 X(o=0.28,f=0.49) USER MOD Set 5.2: A 424 THR OG1 : rot 180:sc= 0.432 USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 426 SER OG : rot 180:sc= 0 USER MOD Single : A 429 CYS SG : rot 21:sc= -0.783 USER MOD Single : A 434 ASN : amide:sc= -0.213 K(o=-0.21,f=-2.9!) USER MOD Single : A 438 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 440 LYS NZ :NH3+ -115:sc= 0.732 (180deg=-0.0514) USER MOD Single : A 441 THR OG1 : rot 149:sc= 0.734 USER MOD Single : A 443 GLN :FLIP amide:sc= -0.284 F(o=-1.6,f=-0.28) USER MOD Single : A 446 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 447 LYS NZ :NH3+ -172:sc= 0.423 (180deg=0.354) USER MOD Single : A 450 MET CE :methyl -122:sc= -0.213 (180deg=-0.698) USER MOD Single : A 451 GLN : amide:sc= -0.0309 X(o=-0.031,f=0) USER MOD Single : A 455 GLN : amide:sc= -0.755 X(o=-0.75,f=-0.45) USER MOD Single : A 456 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 459 THR OG1 : rot -83:sc= 1.01 USER MOD Single : A 460 THR OG1 : rot 180:sc= 0 USER MOD Single : A 467 ASN : amide:sc= 0.268 K(o=0.27,f=-0.8) USER MOD Single : A 468 SER OG : rot 53:sc= 0.117 USER MOD Single : A 470 MET CE :methyl -148:sc= -0.0429 (180deg=-2.14!) USER MOD Single : A 474 HIS : no HD1:sc= -0.8 K(o=-0.8,f=-1.8!) USER MOD Single : A 476 THR OG1 : rot -15:sc= 0.371 USER MOD Single : A 477 ASN : amide:sc= -0.594 X(o=-0.59,f=-0.42) USER MOD Single : A 478 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 SER OG : rot 180:sc= 0.00477 USER MOD Single : A 484 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 MET CE :methyl -153:sc= -0.135 (180deg=-0.842) USER MOD Single : A 492 ASN : amide:sc= -0.037 X(o=-0.037,f=-0.23) USER MOD Single : A 512 MET CE :methyl 178:sc= -1.41 (180deg=-1.42) USER MOD Single : A 515 TYR OH : rot 89:sc= 0.0156 USER MOD Single : A 517 SER OG : rot 180:sc= 0 USER MOD Single : A 518 LYS NZ :NH3+ 172:sc= -0.0042 (180deg=-0.0804) USER MOD Single : A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 520 LYS NZ :NH3+ 173:sc= -0.0146 (180deg=-0.111) USER MOD Single : A 528 TYR OH : rot 180:sc= 0 USER MOD Single : A 530 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.8) USER MOD Single : A 531 SER OG : rot 180:sc= 0 USER MOD Single : A 535 ASN : amide:sc= 0.391 K(o=0.39,f=-5.1!) USER MOD Single : A 539 GLN :FLIP amide:sc= -0.0262 F(o=-0.98,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 250 N LYS A 398 -16.739 8.586 6.191 1.00 72.14 N ATOM 251 CA LYS A 398 -15.709 9.144 5.284 1.00 42.22 C ATOM 252 C LYS A 398 -16.299 9.613 3.937 1.00 11.02 C ATOM 253 O LYS A 398 -17.483 9.406 3.648 1.00 32.20 O ATOM 254 CB LYS A 398 -14.591 8.086 5.071 1.00 73.50 C ATOM 255 CG LYS A 398 -13.848 7.720 6.373 1.00 11.22 C ATOM 256 CD LYS A 398 -12.661 6.765 6.144 1.00 71.03 C ATOM 257 CE LYS A 398 -11.962 6.381 7.461 1.00 21.21 C ATOM 258 NZ LYS A 398 -10.788 5.499 7.243 1.00 10.12 N ATOM 0 HA LYS A 398 -15.287 10.033 5.753 1.00 42.22 H new ATOM 0 HB2 LYS A 398 -15.029 7.184 4.644 1.00 73.50 H new ATOM 0 HB3 LYS A 398 -13.873 8.466 4.344 1.00 73.50 H new ATOM 0 HG2 LYS A 398 -13.486 8.633 6.846 1.00 11.22 H new ATOM 0 HG3 LYS A 398 -14.550 7.258 7.067 1.00 11.22 H new ATOM 0 HD2 LYS A 398 -13.014 5.862 5.645 1.00 71.03 H new ATOM 0 HD3 LYS A 398 -11.940 7.237 5.476 1.00 71.03 H new ATOM 0 HE2 LYS A 398 -11.642 7.286 7.977 1.00 21.21 H new ATOM 0 HE3 LYS A 398 -12.675 5.878 8.114 1.00 21.21 H new ATOM 0 HZ1 LYS A 398 -10.181 5.513 8.088 1.00 10.12 H new ATOM 0 HZ2 LYS A 398 -11.112 4.527 7.066 1.00 10.12 H new ATOM 0 HZ3 LYS A 398 -10.247 5.838 6.422 1.00 10.12 H new ATOM 272 N LEU A 399 -15.465 10.304 3.137 1.00 51.34 N ATOM 273 CA LEU A 399 -15.845 10.765 1.779 1.00 13.14 C ATOM 274 C LEU A 399 -14.987 10.065 0.714 1.00 62.01 C ATOM 275 O LEU A 399 -13.793 9.808 0.929 1.00 11.31 O ATOM 276 CB LEU A 399 -15.704 12.315 1.614 1.00 43.54 C ATOM 277 CG LEU A 399 -16.729 13.215 2.377 1.00 12.21 C ATOM 278 CD1 LEU A 399 -18.183 12.849 2.038 1.00 60.01 C ATOM 279 CD2 LEU A 399 -16.486 13.189 3.886 1.00 20.55 C ATOM 0 H LEU A 399 -14.515 10.559 3.407 1.00 51.34 H new ATOM 0 HA LEU A 399 -16.895 10.505 1.644 1.00 13.14 H new ATOM 0 HB2 LEU A 399 -14.702 12.598 1.936 1.00 43.54 H new ATOM 0 HB3 LEU A 399 -15.776 12.549 0.552 1.00 43.54 H new ATOM 0 HG LEU A 399 -16.568 14.237 2.035 1.00 12.21 H new ATOM 0 HD11 LEU A 399 -18.860 13.500 2.591 1.00 60.01 H new ATOM 0 HD12 LEU A 399 -18.350 12.976 0.968 1.00 60.01 H new ATOM 0 HD13 LEU A 399 -18.371 11.811 2.314 1.00 60.01 H new ATOM 0 HD21 LEU A 399 -17.217 13.826 4.383 1.00 20.55 H new ATOM 0 HD22 LEU A 399 -16.585 12.167 4.253 1.00 20.55 H new ATOM 0 HD23 LEU A 399 -15.482 13.555 4.099 1.00 20.55 H new ATOM 291 N LEU A 400 -15.610 9.781 -0.442 1.00 42.32 N ATOM 292 CA LEU A 400 -14.908 9.223 -1.611 1.00 33.32 C ATOM 293 C LEU A 400 -14.046 10.323 -2.273 1.00 3.30 C ATOM 294 O LEU A 400 -14.566 11.200 -2.977 1.00 12.52 O ATOM 295 CB LEU A 400 -15.919 8.616 -2.628 1.00 65.11 C ATOM 296 CG LEU A 400 -15.299 8.012 -3.928 1.00 0.24 C ATOM 297 CD1 LEU A 400 -14.246 6.934 -3.607 1.00 63.13 C ATOM 298 CD2 LEU A 400 -16.398 7.468 -4.872 1.00 31.12 C ATOM 0 H LEU A 400 -16.608 9.930 -0.593 1.00 42.32 H new ATOM 0 HA LEU A 400 -14.254 8.417 -1.280 1.00 33.32 H new ATOM 0 HB2 LEU A 400 -16.488 7.835 -2.123 1.00 65.11 H new ATOM 0 HB3 LEU A 400 -16.628 9.393 -2.914 1.00 65.11 H new ATOM 0 HG LEU A 400 -14.785 8.818 -4.451 1.00 0.24 H new ATOM 0 HD11 LEU A 400 -13.837 6.537 -4.536 1.00 63.13 H new ATOM 0 HD12 LEU A 400 -13.443 7.374 -3.016 1.00 63.13 H new ATOM 0 HD13 LEU A 400 -14.712 6.127 -3.042 1.00 63.13 H new ATOM 0 HD21 LEU A 400 -15.936 7.054 -5.768 1.00 31.12 H new ATOM 0 HD22 LEU A 400 -16.963 6.688 -4.362 1.00 31.12 H new ATOM 0 HD23 LEU A 400 -17.071 8.278 -5.152 1.00 31.12 H new ATOM 310 N ALA A 401 -12.735 10.292 -1.990 1.00 62.12 N ATOM 311 CA ALA A 401 -11.762 11.253 -2.540 1.00 73.42 C ATOM 312 C ALA A 401 -11.328 10.855 -3.965 1.00 72.02 C ATOM 313 O ALA A 401 -11.334 11.675 -4.892 1.00 40.42 O ATOM 314 CB ALA A 401 -10.542 11.333 -1.611 1.00 72.13 C ATOM 0 H ALA A 401 -12.316 9.598 -1.371 1.00 62.12 H new ATOM 0 HA ALA A 401 -12.237 12.232 -2.602 1.00 73.42 H new ATOM 0 HB1 ALA A 401 -9.822 12.043 -2.017 1.00 72.13 H new ATOM 0 HB2 ALA A 401 -10.859 11.663 -0.622 1.00 72.13 H new ATOM 0 HB3 ALA A 401 -10.078 10.350 -1.534 1.00 72.13 H new ATOM 320 N TRP A 402 -11.001 9.567 -4.132 1.00 64.43 N ATOM 321 CA TRP A 402 -10.329 9.060 -5.344 1.00 13.44 C ATOM 322 C TRP A 402 -10.817 7.641 -5.702 1.00 51.12 C ATOM 323 O TRP A 402 -11.253 6.883 -4.836 1.00 73.20 O ATOM 324 CB TRP A 402 -8.792 9.074 -5.108 1.00 25.24 C ATOM 325 CG TRP A 402 -7.958 8.791 -6.341 1.00 42.11 C ATOM 326 CD1 TRP A 402 -7.595 9.686 -7.305 1.00 50.31 C ATOM 327 CD2 TRP A 402 -7.392 7.526 -6.743 1.00 1.33 C ATOM 328 NE1 TRP A 402 -6.843 9.068 -8.267 1.00 32.43 N ATOM 329 CE2 TRP A 402 -6.704 7.744 -7.948 1.00 65.02 C ATOM 330 CE3 TRP A 402 -7.400 6.235 -6.196 1.00 2.41 C ATOM 331 CZ2 TRP A 402 -6.036 6.726 -8.621 1.00 34.52 C ATOM 332 CZ3 TRP A 402 -6.737 5.227 -6.866 1.00 2.40 C ATOM 333 CH2 TRP A 402 -6.061 5.479 -8.068 1.00 21.44 C ATOM 0 H TRP A 402 -11.192 8.846 -3.436 1.00 64.43 H new ATOM 0 HA TRP A 402 -10.575 9.705 -6.187 1.00 13.44 H new ATOM 0 HB2 TRP A 402 -8.508 10.048 -4.710 1.00 25.24 H new ATOM 0 HB3 TRP A 402 -8.549 8.335 -4.344 1.00 25.24 H new ATOM 0 HD1 TRP A 402 -7.863 10.732 -7.308 1.00 50.31 H new ATOM 0 HE1 TRP A 402 -6.449 9.522 -9.091 1.00 32.43 H new ATOM 0 HE3 TRP A 402 -7.915 6.033 -5.268 1.00 2.41 H new ATOM 0 HZ2 TRP A 402 -5.516 6.916 -9.548 1.00 34.52 H new ATOM 0 HZ3 TRP A 402 -6.739 4.227 -6.457 1.00 2.40 H new ATOM 0 HH2 TRP A 402 -5.549 4.669 -8.567 1.00 21.44 H new ATOM 344 N SER A 403 -10.725 7.302 -6.995 1.00 12.54 N ATOM 345 CA SER A 403 -11.031 5.950 -7.518 1.00 54.24 C ATOM 346 C SER A 403 -10.091 5.622 -8.696 1.00 3.45 C ATOM 347 O SER A 403 -9.649 6.525 -9.418 1.00 73.44 O ATOM 348 CB SER A 403 -12.510 5.845 -7.957 1.00 3.20 C ATOM 349 OG SER A 403 -12.824 6.769 -8.986 1.00 45.31 O ATOM 0 H SER A 403 -10.434 7.959 -7.719 1.00 12.54 H new ATOM 0 HA SER A 403 -10.870 5.225 -6.721 1.00 54.24 H new ATOM 0 HB2 SER A 403 -12.714 4.832 -8.304 1.00 3.20 H new ATOM 0 HB3 SER A 403 -13.157 6.024 -7.098 1.00 3.20 H new ATOM 0 HG SER A 403 -13.766 6.671 -9.237 1.00 45.31 H new ATOM 355 N GLY A 404 -9.780 4.334 -8.876 1.00 61.24 N ATOM 356 CA GLY A 404 -8.853 3.895 -9.919 1.00 2.23 C ATOM 357 C GLY A 404 -8.543 2.407 -9.823 1.00 34.11 C ATOM 358 O GLY A 404 -9.406 1.621 -9.424 1.00 32.14 O ATOM 0 H GLY A 404 -10.160 3.576 -8.309 1.00 61.24 H new ATOM 0 HA2 GLY A 404 -9.280 4.113 -10.898 1.00 2.23 H new ATOM 0 HA3 GLY A 404 -7.926 4.463 -9.842 1.00 2.23 H new ATOM 362 N VAL A 405 -7.320 2.006 -10.209 1.00 73.14 N ATOM 363 CA VAL A 405 -6.882 0.594 -10.146 1.00 62.52 C ATOM 364 C VAL A 405 -5.592 0.454 -9.310 1.00 24.41 C ATOM 365 O VAL A 405 -4.788 1.387 -9.222 1.00 14.40 O ATOM 366 CB VAL A 405 -6.671 -0.004 -11.595 1.00 25.33 C ATOM 367 CG1 VAL A 405 -5.413 0.545 -12.289 1.00 74.05 C ATOM 368 CG2 VAL A 405 -6.692 -1.558 -11.586 1.00 62.41 C ATOM 0 H VAL A 405 -6.610 2.642 -10.571 1.00 73.14 H new ATOM 0 HA VAL A 405 -7.672 0.024 -9.657 1.00 62.52 H new ATOM 0 HB VAL A 405 -7.520 0.331 -12.191 1.00 25.33 H new ATOM 0 HG11 VAL A 405 -5.320 0.099 -13.279 1.00 74.05 H new ATOM 0 HG12 VAL A 405 -5.493 1.628 -12.384 1.00 74.05 H new ATOM 0 HG13 VAL A 405 -4.533 0.297 -11.696 1.00 74.05 H new ATOM 0 HG21 VAL A 405 -6.544 -1.930 -12.600 1.00 62.41 H new ATOM 0 HG22 VAL A 405 -5.894 -1.929 -10.943 1.00 62.41 H new ATOM 0 HG23 VAL A 405 -7.653 -1.907 -11.209 1.00 62.41 H new ATOM 378 N LEU A 406 -5.425 -0.718 -8.694 1.00 75.00 N ATOM 379 CA LEU A 406 -4.214 -1.102 -7.954 1.00 65.55 C ATOM 380 C LEU A 406 -3.653 -2.388 -8.592 1.00 64.42 C ATOM 381 O LEU A 406 -4.296 -3.436 -8.520 1.00 51.22 O ATOM 382 CB LEU A 406 -4.560 -1.352 -6.461 1.00 34.32 C ATOM 383 CG LEU A 406 -3.343 -1.618 -5.529 1.00 3.32 C ATOM 384 CD1 LEU A 406 -2.491 -0.345 -5.342 1.00 23.14 C ATOM 385 CD2 LEU A 406 -3.787 -2.210 -4.180 1.00 21.54 C ATOM 0 H LEU A 406 -6.141 -1.444 -8.694 1.00 75.00 H new ATOM 0 HA LEU A 406 -3.473 -0.304 -8.002 1.00 65.55 H new ATOM 0 HB2 LEU A 406 -5.104 -0.487 -6.082 1.00 34.32 H new ATOM 0 HB3 LEU A 406 -5.236 -2.205 -6.400 1.00 34.32 H new ATOM 0 HG LEU A 406 -2.712 -2.362 -6.015 1.00 3.32 H new ATOM 0 HD11 LEU A 406 -1.649 -0.564 -4.686 1.00 23.14 H new ATOM 0 HD12 LEU A 406 -2.119 -0.011 -6.310 1.00 23.14 H new ATOM 0 HD13 LEU A 406 -3.103 0.440 -4.897 1.00 23.14 H new ATOM 0 HD21 LEU A 406 -2.912 -2.384 -3.553 1.00 21.54 H new ATOM 0 HD22 LEU A 406 -4.459 -1.512 -3.680 1.00 21.54 H new ATOM 0 HD23 LEU A 406 -4.305 -3.154 -4.350 1.00 21.54 H new ATOM 397 N GLU A 407 -2.471 -2.303 -9.220 1.00 40.12 N ATOM 398 CA GLU A 407 -1.879 -3.414 -10.001 1.00 44.34 C ATOM 399 C GLU A 407 -0.524 -3.850 -9.396 1.00 71.12 C ATOM 400 O GLU A 407 0.413 -3.051 -9.328 1.00 2.45 O ATOM 401 CB GLU A 407 -1.684 -2.956 -11.471 1.00 4.42 C ATOM 402 CG GLU A 407 -1.149 -4.050 -12.411 1.00 73.23 C ATOM 403 CD GLU A 407 -0.793 -3.515 -13.809 1.00 22.22 C ATOM 404 OE1 GLU A 407 -1.697 -3.391 -14.664 1.00 31.43 O ATOM 405 OE2 GLU A 407 0.388 -3.188 -14.053 1.00 23.43 O ATOM 0 H GLU A 407 -1.893 -1.463 -9.204 1.00 40.12 H new ATOM 0 HA GLU A 407 -2.554 -4.269 -9.969 1.00 44.34 H new ATOM 0 HB2 GLU A 407 -2.638 -2.597 -11.857 1.00 4.42 H new ATOM 0 HB3 GLU A 407 -0.996 -2.111 -11.487 1.00 4.42 H new ATOM 0 HG2 GLU A 407 -0.264 -4.505 -11.965 1.00 73.23 H new ATOM 0 HG3 GLU A 407 -1.897 -4.837 -12.508 1.00 73.23 H new ATOM 412 N TRP A 408 -0.422 -5.127 -8.995 1.00 51.33 N ATOM 413 CA TRP A 408 0.788 -5.691 -8.351 1.00 43.21 C ATOM 414 C TRP A 408 1.261 -6.996 -9.052 1.00 41.15 C ATOM 415 O TRP A 408 0.668 -7.444 -10.040 1.00 64.22 O ATOM 416 CB TRP A 408 0.506 -5.929 -6.839 1.00 42.22 C ATOM 417 CG TRP A 408 -0.537 -6.992 -6.538 1.00 64.32 C ATOM 418 CD1 TRP A 408 -0.310 -8.322 -6.355 1.00 31.31 C ATOM 419 CD2 TRP A 408 -1.957 -6.814 -6.374 1.00 31.51 C ATOM 420 NE1 TRP A 408 -1.477 -8.970 -6.084 1.00 21.44 N ATOM 421 CE2 TRP A 408 -2.502 -8.080 -6.087 1.00 2.13 C ATOM 422 CE3 TRP A 408 -2.825 -5.707 -6.442 1.00 31.31 C ATOM 423 CZ2 TRP A 408 -3.861 -8.275 -5.858 1.00 42.44 C ATOM 424 CZ3 TRP A 408 -4.174 -5.905 -6.216 1.00 3.25 C ATOM 425 CH2 TRP A 408 -4.679 -7.183 -5.932 1.00 32.25 C ATOM 0 H TRP A 408 -1.176 -5.805 -9.106 1.00 51.33 H new ATOM 0 HA TRP A 408 1.602 -4.973 -8.452 1.00 43.21 H new ATOM 0 HB2 TRP A 408 1.439 -6.209 -6.351 1.00 42.22 H new ATOM 0 HB3 TRP A 408 0.183 -4.988 -6.393 1.00 42.22 H new ATOM 0 HD1 TRP A 408 0.658 -8.796 -6.416 1.00 31.31 H new ATOM 0 HE1 TRP A 408 -1.567 -9.970 -5.906 1.00 21.44 H new ATOM 0 HE3 TRP A 408 -2.444 -4.722 -6.667 1.00 31.31 H new ATOM 0 HZ2 TRP A 408 -4.255 -9.254 -5.630 1.00 42.44 H new ATOM 0 HZ3 TRP A 408 -4.850 -5.063 -6.259 1.00 3.25 H new ATOM 0 HH2 TRP A 408 -5.739 -7.306 -5.768 1.00 32.25 H new ATOM 436 N GLN A 409 2.353 -7.585 -8.520 1.00 65.15 N ATOM 437 CA GLN A 409 2.942 -8.853 -9.015 1.00 11.32 C ATOM 438 C GLN A 409 2.878 -9.959 -7.925 1.00 10.42 C ATOM 439 O GLN A 409 3.335 -9.752 -6.799 1.00 61.44 O ATOM 440 CB GLN A 409 4.424 -8.625 -9.438 1.00 33.14 C ATOM 441 CG GLN A 409 4.640 -7.643 -10.613 1.00 15.21 C ATOM 442 CD GLN A 409 4.089 -8.152 -11.950 1.00 5.20 C ATOM 443 OE1 GLN A 409 4.771 -8.845 -12.698 1.00 40.21 O ATOM 444 NE2 GLN A 409 2.860 -7.801 -12.263 1.00 62.41 N ATOM 0 H GLN A 409 2.858 -7.191 -7.726 1.00 65.15 H new ATOM 0 HA GLN A 409 2.362 -9.180 -9.878 1.00 11.32 H new ATOM 0 HB2 GLN A 409 4.977 -8.257 -8.574 1.00 33.14 H new ATOM 0 HB3 GLN A 409 4.858 -9.588 -9.708 1.00 33.14 H new ATOM 0 HG2 GLN A 409 4.165 -6.692 -10.372 1.00 15.21 H new ATOM 0 HG3 GLN A 409 5.707 -7.448 -10.720 1.00 15.21 H new ATOM 0 HE21 GLN A 409 2.315 -7.224 -11.622 1.00 62.41 H new ATOM 0 HE22 GLN A 409 2.452 -8.106 -13.147 1.00 62.41 H new ATOM 453 N GLU A 410 2.311 -11.121 -8.291 1.00 45.54 N ATOM 454 CA GLU A 410 2.297 -12.346 -7.454 1.00 74.42 C ATOM 455 C GLU A 410 3.701 -13.021 -7.414 1.00 73.22 C ATOM 456 O GLU A 410 4.607 -12.673 -8.183 1.00 33.11 O ATOM 457 CB GLU A 410 1.264 -13.361 -8.033 1.00 31.41 C ATOM 458 CG GLU A 410 -0.213 -12.948 -7.959 1.00 11.24 C ATOM 459 CD GLU A 410 -0.758 -12.927 -6.528 1.00 43.03 C ATOM 460 OE1 GLU A 410 -0.822 -14.002 -5.884 1.00 12.23 O ATOM 461 OE2 GLU A 410 -1.137 -11.852 -6.044 1.00 41.40 O ATOM 0 H GLU A 410 1.841 -11.244 -9.188 1.00 45.54 H new ATOM 0 HA GLU A 410 2.020 -12.058 -6.440 1.00 74.42 H new ATOM 0 HB2 GLU A 410 1.515 -13.546 -9.077 1.00 31.41 H new ATOM 0 HB3 GLU A 410 1.381 -14.307 -7.504 1.00 31.41 H new ATOM 0 HG2 GLU A 410 -0.330 -11.959 -8.401 1.00 11.24 H new ATOM 0 HG3 GLU A 410 -0.808 -13.637 -8.558 1.00 11.24 H new ATOM 649 N LEU A 423 1.558 -13.008 -13.508 1.00 51.05 N ATOM 650 CA LEU A 423 1.510 -12.689 -12.062 1.00 34.11 C ATOM 651 C LEU A 423 0.881 -11.297 -11.826 1.00 10.45 C ATOM 652 O LEU A 423 0.623 -10.900 -10.690 1.00 63.05 O ATOM 653 CB LEU A 423 2.935 -12.766 -11.450 1.00 20.25 C ATOM 654 CG LEU A 423 3.612 -14.177 -11.434 1.00 21.40 C ATOM 655 CD1 LEU A 423 2.665 -15.257 -10.871 1.00 2.31 C ATOM 656 CD2 LEU A 423 4.175 -14.583 -12.815 1.00 62.40 C ATOM 0 HA LEU A 423 0.880 -13.426 -11.564 1.00 34.11 H new ATOM 0 HB2 LEU A 423 3.581 -12.084 -12.002 1.00 20.25 H new ATOM 0 HB3 LEU A 423 2.886 -12.399 -10.425 1.00 20.25 H new ATOM 0 HG LEU A 423 4.465 -14.100 -10.760 1.00 21.40 H new ATOM 0 HD11 LEU A 423 3.171 -16.223 -10.876 1.00 2.31 H new ATOM 0 HD12 LEU A 423 2.385 -14.999 -9.850 1.00 2.31 H new ATOM 0 HD13 LEU A 423 1.769 -15.313 -11.489 1.00 2.31 H new ATOM 0 HD21 LEU A 423 4.633 -15.570 -12.745 1.00 62.40 H new ATOM 0 HD22 LEU A 423 3.366 -14.609 -13.545 1.00 62.40 H new ATOM 0 HD23 LEU A 423 4.924 -13.857 -13.130 1.00 62.40 H new ATOM 668 N THR A 424 0.655 -10.571 -12.926 1.00 15.24 N ATOM 669 CA THR A 424 0.015 -9.243 -12.916 1.00 1.44 C ATOM 670 C THR A 424 -1.462 -9.342 -12.469 1.00 73.54 C ATOM 671 O THR A 424 -2.344 -9.692 -13.261 1.00 64.05 O ATOM 672 CB THR A 424 0.112 -8.570 -14.329 1.00 20.42 C ATOM 673 OG1 THR A 424 1.463 -8.667 -14.818 1.00 5.32 O ATOM 674 CG2 THR A 424 -0.294 -7.089 -14.299 1.00 54.42 C ATOM 0 H THR A 424 0.913 -10.889 -13.860 1.00 15.24 H new ATOM 0 HA THR A 424 0.548 -8.621 -12.197 1.00 1.44 H new ATOM 0 HB THR A 424 -0.579 -9.098 -14.985 1.00 20.42 H new ATOM 0 HG1 THR A 424 1.522 -8.247 -15.702 1.00 5.32 H new ATOM 0 HG21 THR A 424 -0.210 -6.668 -15.301 1.00 54.42 H new ATOM 0 HG22 THR A 424 -1.324 -7.001 -13.954 1.00 54.42 H new ATOM 0 HG23 THR A 424 0.364 -6.545 -13.621 1.00 54.42 H new ATOM 682 N ARG A 425 -1.705 -9.082 -11.176 1.00 2.34 N ATOM 683 CA ARG A 425 -3.051 -9.147 -10.564 1.00 61.44 C ATOM 684 C ARG A 425 -3.487 -7.752 -10.074 1.00 14.02 C ATOM 685 O ARG A 425 -2.664 -6.994 -9.561 1.00 53.33 O ATOM 686 CB ARG A 425 -3.062 -10.189 -9.414 1.00 51.44 C ATOM 687 CG ARG A 425 -4.480 -10.486 -8.868 1.00 53.44 C ATOM 688 CD ARG A 425 -4.657 -11.911 -8.329 1.00 20.12 C ATOM 689 NE ARG A 425 -3.962 -12.151 -7.053 1.00 72.20 N ATOM 690 CZ ARG A 425 -4.340 -13.019 -6.135 1.00 41.44 C ATOM 691 NH1 ARG A 425 -5.433 -13.722 -6.274 1.00 12.24 N ATOM 692 NH2 ARG A 425 -3.606 -13.189 -5.082 1.00 21.04 N ATOM 0 H ARG A 425 -0.972 -8.819 -10.517 1.00 2.34 H new ATOM 0 HA ARG A 425 -3.772 -9.470 -11.315 1.00 61.44 H new ATOM 0 HB2 ARG A 425 -2.616 -11.117 -9.770 1.00 51.44 H new ATOM 0 HB3 ARG A 425 -2.435 -9.827 -8.599 1.00 51.44 H new ATOM 0 HG2 ARG A 425 -4.707 -9.777 -8.072 1.00 53.44 H new ATOM 0 HG3 ARG A 425 -5.207 -10.317 -9.663 1.00 53.44 H new ATOM 0 HD2 ARG A 425 -5.720 -12.111 -8.197 1.00 20.12 H new ATOM 0 HD3 ARG A 425 -4.290 -12.619 -9.072 1.00 20.12 H new ATOM 0 HE ARG A 425 -3.123 -11.603 -6.865 1.00 72.20 H new ATOM 0 HH11 ARG A 425 -6.013 -13.605 -7.105 1.00 12.24 H new ATOM 0 HH12 ARG A 425 -5.706 -14.388 -5.551 1.00 12.24 H new ATOM 0 HH21 ARG A 425 -2.745 -12.654 -4.969 1.00 21.04 H new ATOM 0 HH22 ARG A 425 -3.889 -13.858 -4.366 1.00 21.04 H new ATOM 706 N SER A 426 -4.786 -7.417 -10.223 1.00 73.24 N ATOM 707 CA SER A 426 -5.281 -6.038 -9.980 1.00 13.11 C ATOM 708 C SER A 426 -6.694 -6.000 -9.351 1.00 11.31 C ATOM 709 O SER A 426 -7.451 -6.975 -9.399 1.00 42.23 O ATOM 710 CB SER A 426 -5.259 -5.217 -11.295 1.00 12.54 C ATOM 711 OG SER A 426 -6.080 -5.803 -12.290 1.00 65.22 O ATOM 0 H SER A 426 -5.510 -8.076 -10.509 1.00 73.24 H new ATOM 0 HA SER A 426 -4.603 -5.589 -9.254 1.00 13.11 H new ATOM 0 HB2 SER A 426 -5.598 -4.200 -11.095 1.00 12.54 H new ATOM 0 HB3 SER A 426 -4.235 -5.146 -11.663 1.00 12.54 H new ATOM 0 HG SER A 426 -6.045 -5.260 -13.105 1.00 65.22 H new ATOM 717 N LEU A 427 -7.017 -4.831 -8.761 1.00 23.23 N ATOM 718 CA LEU A 427 -8.318 -4.539 -8.101 1.00 31.32 C ATOM 719 C LEU A 427 -8.742 -3.071 -8.381 1.00 50.11 C ATOM 720 O LEU A 427 -7.897 -2.178 -8.309 1.00 60.43 O ATOM 721 CB LEU A 427 -8.201 -4.765 -6.559 1.00 32.12 C ATOM 722 CG LEU A 427 -8.483 -6.214 -6.055 1.00 2.41 C ATOM 723 CD1 LEU A 427 -7.962 -6.420 -4.617 1.00 73.30 C ATOM 724 CD2 LEU A 427 -9.993 -6.539 -6.157 1.00 55.14 C ATOM 0 H LEU A 427 -6.371 -4.043 -8.726 1.00 23.23 H new ATOM 0 HA LEU A 427 -9.073 -5.213 -8.506 1.00 31.32 H new ATOM 0 HB2 LEU A 427 -7.196 -4.482 -6.246 1.00 32.12 H new ATOM 0 HB3 LEU A 427 -8.893 -4.087 -6.059 1.00 32.12 H new ATOM 0 HG LEU A 427 -7.941 -6.908 -6.698 1.00 2.41 H new ATOM 0 HD11 LEU A 427 -8.174 -7.440 -4.296 1.00 73.30 H new ATOM 0 HD12 LEU A 427 -6.886 -6.248 -4.592 1.00 73.30 H new ATOM 0 HD13 LEU A 427 -8.457 -5.718 -3.946 1.00 73.30 H new ATOM 0 HD21 LEU A 427 -10.172 -7.554 -5.801 1.00 55.14 H new ATOM 0 HD22 LEU A 427 -10.559 -5.835 -5.546 1.00 55.14 H new ATOM 0 HD23 LEU A 427 -10.313 -6.457 -7.196 1.00 55.14 H new ATOM 736 N PRO A 428 -10.050 -2.792 -8.696 1.00 22.40 N ATOM 737 CA PRO A 428 -10.560 -1.400 -8.780 1.00 54.15 C ATOM 738 C PRO A 428 -10.667 -0.753 -7.365 1.00 74.14 C ATOM 739 O PRO A 428 -11.629 -0.991 -6.631 1.00 4.42 O ATOM 740 CB PRO A 428 -11.939 -1.562 -9.482 1.00 3.40 C ATOM 741 CG PRO A 428 -12.376 -2.959 -9.145 1.00 74.31 C ATOM 742 CD PRO A 428 -11.108 -3.790 -9.011 1.00 2.42 C ATOM 0 HA PRO A 428 -9.903 -0.727 -9.331 1.00 54.15 H new ATOM 0 HB2 PRO A 428 -12.656 -0.825 -9.121 1.00 3.40 H new ATOM 0 HB3 PRO A 428 -11.854 -1.423 -10.560 1.00 3.40 H new ATOM 0 HG2 PRO A 428 -12.948 -2.973 -8.217 1.00 74.31 H new ATOM 0 HG3 PRO A 428 -13.023 -3.362 -9.925 1.00 74.31 H new ATOM 0 HD2 PRO A 428 -11.201 -4.535 -8.220 1.00 2.42 H new ATOM 0 HD3 PRO A 428 -10.886 -4.329 -9.932 1.00 2.42 H new ATOM 750 N CYS A 429 -9.667 0.078 -7.004 1.00 63.02 N ATOM 751 CA CYS A 429 -9.477 0.577 -5.618 1.00 42.01 C ATOM 752 C CYS A 429 -9.947 2.037 -5.474 1.00 4.03 C ATOM 753 O CYS A 429 -9.765 2.857 -6.380 1.00 5.22 O ATOM 754 CB CYS A 429 -7.981 0.489 -5.233 1.00 72.02 C ATOM 755 SG CYS A 429 -6.884 1.522 -6.237 1.00 33.51 S ATOM 0 H CYS A 429 -8.968 0.424 -7.661 1.00 63.02 H new ATOM 0 HA CYS A 429 -10.077 -0.046 -4.954 1.00 42.01 H new ATOM 0 HB2 CYS A 429 -7.871 0.775 -4.187 1.00 72.02 H new ATOM 0 HB3 CYS A 429 -7.658 -0.549 -5.316 1.00 72.02 H new ATOM 0 HG CYS A 429 -7.576 2.464 -6.807 1.00 33.51 H new ATOM 761 N GLN A 430 -10.563 2.345 -4.318 1.00 72.02 N ATOM 762 CA GLN A 430 -11.101 3.688 -4.008 1.00 13.43 C ATOM 763 C GLN A 430 -10.545 4.208 -2.665 1.00 24.33 C ATOM 764 O GLN A 430 -10.664 3.546 -1.634 1.00 20.21 O ATOM 765 CB GLN A 430 -12.649 3.654 -3.961 1.00 23.50 C ATOM 766 CG GLN A 430 -13.323 3.262 -5.289 1.00 4.33 C ATOM 767 CD GLN A 430 -14.847 3.428 -5.275 1.00 11.43 C ATOM 768 OE1 GLN A 430 -15.495 3.295 -4.241 1.00 13.04 O ATOM 769 NE2 GLN A 430 -15.431 3.705 -6.427 1.00 41.52 N ATOM 0 H GLN A 430 -10.704 1.668 -3.568 1.00 72.02 H new ATOM 0 HA GLN A 430 -10.785 4.367 -4.800 1.00 13.43 H new ATOM 0 HB2 GLN A 430 -12.960 2.950 -3.189 1.00 23.50 H new ATOM 0 HB3 GLN A 430 -13.012 4.637 -3.661 1.00 23.50 H new ATOM 0 HG2 GLN A 430 -12.907 3.871 -6.092 1.00 4.33 H new ATOM 0 HG3 GLN A 430 -13.081 2.224 -5.517 1.00 4.33 H new ATOM 0 HE21 GLN A 430 -14.869 3.810 -7.271 1.00 41.52 H new ATOM 0 HE22 GLN A 430 -16.444 3.814 -6.472 1.00 41.52 H new ATOM 778 N VAL A 431 -9.955 5.410 -2.698 1.00 32.43 N ATOM 779 CA VAL A 431 -9.379 6.075 -1.515 1.00 34.25 C ATOM 780 C VAL A 431 -10.447 6.931 -0.789 1.00 13.30 C ATOM 781 O VAL A 431 -10.970 7.911 -1.341 1.00 11.32 O ATOM 782 CB VAL A 431 -8.141 6.948 -1.936 1.00 3.13 C ATOM 783 CG1 VAL A 431 -7.570 7.772 -0.752 1.00 5.02 C ATOM 784 CG2 VAL A 431 -7.049 6.050 -2.572 1.00 34.00 C ATOM 0 H VAL A 431 -9.862 5.956 -3.554 1.00 32.43 H new ATOM 0 HA VAL A 431 -9.039 5.311 -0.815 1.00 34.25 H new ATOM 0 HB VAL A 431 -8.482 7.670 -2.678 1.00 3.13 H new ATOM 0 HG11 VAL A 431 -6.717 8.358 -1.094 1.00 5.02 H new ATOM 0 HG12 VAL A 431 -8.340 8.442 -0.370 1.00 5.02 H new ATOM 0 HG13 VAL A 431 -7.251 7.096 0.041 1.00 5.02 H new ATOM 0 HG21 VAL A 431 -6.196 6.664 -2.860 1.00 34.00 H new ATOM 0 HG22 VAL A 431 -6.729 5.300 -1.849 1.00 34.00 H new ATOM 0 HG23 VAL A 431 -7.454 5.554 -3.454 1.00 34.00 H new ATOM 794 N TYR A 432 -10.781 6.517 0.445 1.00 62.32 N ATOM 795 CA TYR A 432 -11.702 7.235 1.343 1.00 50.42 C ATOM 796 C TYR A 432 -10.915 7.990 2.435 1.00 31.32 C ATOM 797 O TYR A 432 -10.182 7.386 3.231 1.00 44.32 O ATOM 798 CB TYR A 432 -12.716 6.244 1.976 1.00 23.00 C ATOM 799 CG TYR A 432 -13.818 5.799 1.010 1.00 32.14 C ATOM 800 CD1 TYR A 432 -13.606 4.779 0.077 1.00 1.42 C ATOM 801 CD2 TYR A 432 -15.071 6.414 1.024 1.00 11.10 C ATOM 802 CE1 TYR A 432 -14.607 4.393 -0.799 1.00 61.20 C ATOM 803 CE2 TYR A 432 -16.069 6.034 0.152 1.00 54.31 C ATOM 804 CZ TYR A 432 -15.837 5.026 -0.757 1.00 30.52 C ATOM 805 OH TYR A 432 -16.837 4.653 -1.629 1.00 62.10 O ATOM 0 H TYR A 432 -10.412 5.659 0.854 1.00 62.32 H new ATOM 0 HA TYR A 432 -12.258 7.969 0.760 1.00 50.42 H new ATOM 0 HB2 TYR A 432 -12.179 5.365 2.332 1.00 23.00 H new ATOM 0 HB3 TYR A 432 -13.174 6.712 2.847 1.00 23.00 H new ATOM 0 HD1 TYR A 432 -12.647 4.284 0.039 1.00 1.42 H new ATOM 0 HD2 TYR A 432 -15.263 7.205 1.734 1.00 11.10 H new ATOM 0 HE1 TYR A 432 -14.428 3.601 -1.512 1.00 61.20 H new ATOM 0 HE2 TYR A 432 -17.030 6.526 0.182 1.00 54.31 H new ATOM 0 HH TYR A 432 -16.440 4.256 -2.432 1.00 62.10 H new ATOM 815 N VAL A 433 -11.081 9.317 2.441 1.00 30.54 N ATOM 816 CA VAL A 433 -10.419 10.241 3.384 1.00 50.20 C ATOM 817 C VAL A 433 -11.370 10.675 4.518 1.00 31.41 C ATOM 818 O VAL A 433 -12.558 10.354 4.506 1.00 5.41 O ATOM 819 CB VAL A 433 -9.915 11.525 2.636 1.00 70.00 C ATOM 820 CG1 VAL A 433 -8.732 11.220 1.695 1.00 13.14 C ATOM 821 CG2 VAL A 433 -11.086 12.225 1.886 1.00 11.10 C ATOM 0 H VAL A 433 -11.692 9.794 1.778 1.00 30.54 H new ATOM 0 HA VAL A 433 -9.575 9.703 3.815 1.00 50.20 H new ATOM 0 HB VAL A 433 -9.540 12.218 3.389 1.00 70.00 H new ATOM 0 HG11 VAL A 433 -8.416 12.137 1.198 1.00 13.14 H new ATOM 0 HG12 VAL A 433 -7.901 10.816 2.274 1.00 13.14 H new ATOM 0 HG13 VAL A 433 -9.041 10.490 0.947 1.00 13.14 H new ATOM 0 HG21 VAL A 433 -10.712 13.112 1.375 1.00 11.10 H new ATOM 0 HG22 VAL A 433 -11.512 11.538 1.155 1.00 11.10 H new ATOM 0 HG23 VAL A 433 -11.855 12.515 2.602 1.00 11.10 H new ATOM 831 N ASN A 434 -10.827 11.453 5.472 1.00 3.21 N ATOM 832 CA ASN A 434 -11.604 12.042 6.586 1.00 41.45 C ATOM 833 C ASN A 434 -12.674 13.062 6.079 1.00 13.54 C ATOM 834 O ASN A 434 -12.705 13.417 4.891 1.00 5.11 O ATOM 835 CB ASN A 434 -10.639 12.741 7.589 1.00 30.42 C ATOM 836 CG ASN A 434 -9.575 11.820 8.208 1.00 23.20 C ATOM 837 OD1 ASN A 434 -9.128 10.846 7.604 1.00 12.10 O ATOM 838 ND2 ASN A 434 -9.141 12.132 9.418 1.00 5.21 N ATOM 0 H ASN A 434 -9.836 11.693 5.495 1.00 3.21 H new ATOM 0 HA ASN A 434 -12.134 11.231 7.085 1.00 41.45 H new ATOM 0 HB2 ASN A 434 -10.136 13.561 7.076 1.00 30.42 H new ATOM 0 HB3 ASN A 434 -11.229 13.182 8.392 1.00 30.42 H new ATOM 0 HD21 ASN A 434 -8.424 11.561 9.866 1.00 5.21 H new ATOM 0 HD22 ASN A 434 -9.523 12.943 9.903 1.00 5.21 H new ATOM 884 N ASN A 438 -7.668 17.903 3.971 1.00 33.02 N ATOM 885 CA ASN A 438 -7.137 18.648 2.799 1.00 51.31 C ATOM 886 C ASN A 438 -5.985 17.833 2.151 1.00 61.20 C ATOM 887 O ASN A 438 -4.949 17.616 2.784 1.00 63.24 O ATOM 888 CB ASN A 438 -6.647 20.061 3.230 1.00 63.11 C ATOM 889 CG ASN A 438 -6.261 20.959 2.050 1.00 55.41 C ATOM 890 OD1 ASN A 438 -5.113 20.985 1.616 1.00 2.51 O ATOM 891 ND2 ASN A 438 -7.220 21.703 1.525 1.00 33.34 N ATOM 0 HA ASN A 438 -7.931 18.782 2.064 1.00 51.31 H new ATOM 0 HB2 ASN A 438 -7.433 20.549 3.806 1.00 63.11 H new ATOM 0 HB3 ASN A 438 -5.787 19.953 3.891 1.00 63.11 H new ATOM 0 HD21 ASN A 438 -7.015 22.319 0.739 1.00 33.34 H new ATOM 0 HD22 ASN A 438 -8.165 21.661 1.907 1.00 33.34 H new ATOM 898 N LEU A 439 -6.179 17.378 0.897 1.00 60.31 N ATOM 899 CA LEU A 439 -5.214 16.470 0.205 1.00 24.51 C ATOM 900 C LEU A 439 -5.082 16.805 -1.296 1.00 61.22 C ATOM 901 O LEU A 439 -3.978 16.809 -1.847 1.00 50.43 O ATOM 902 CB LEU A 439 -5.687 15.001 0.393 1.00 51.02 C ATOM 903 CG LEU A 439 -4.783 13.863 -0.175 1.00 22.21 C ATOM 904 CD1 LEU A 439 -3.339 13.967 0.357 1.00 73.14 C ATOM 905 CD2 LEU A 439 -5.408 12.480 0.135 1.00 64.24 C ATOM 0 H LEU A 439 -6.994 17.620 0.333 1.00 60.31 H new ATOM 0 HA LEU A 439 -4.228 16.607 0.648 1.00 24.51 H new ATOM 0 HB2 LEU A 439 -5.814 14.825 1.461 1.00 51.02 H new ATOM 0 HB3 LEU A 439 -6.671 14.906 -0.065 1.00 51.02 H new ATOM 0 HG LEU A 439 -4.727 13.977 -1.258 1.00 22.21 H new ATOM 0 HD11 LEU A 439 -2.739 13.158 -0.060 1.00 73.14 H new ATOM 0 HD12 LEU A 439 -2.911 14.925 0.063 1.00 73.14 H new ATOM 0 HD13 LEU A 439 -3.345 13.891 1.444 1.00 73.14 H new ATOM 0 HD21 LEU A 439 -4.769 11.694 -0.266 1.00 64.24 H new ATOM 0 HD22 LEU A 439 -5.502 12.357 1.214 1.00 64.24 H new ATOM 0 HD23 LEU A 439 -6.394 12.415 -0.324 1.00 64.24 H new ATOM 917 N LYS A 440 -6.235 17.076 -1.935 1.00 42.53 N ATOM 918 CA LYS A 440 -6.351 17.343 -3.386 1.00 54.20 C ATOM 919 C LYS A 440 -5.948 16.104 -4.231 1.00 21.32 C ATOM 920 O LYS A 440 -4.866 16.057 -4.832 1.00 53.23 O ATOM 921 CB LYS A 440 -5.549 18.597 -3.833 1.00 44.22 C ATOM 922 CG LYS A 440 -5.850 19.895 -3.059 1.00 54.40 C ATOM 923 CD LYS A 440 -5.062 21.097 -3.629 1.00 63.42 C ATOM 924 CE LYS A 440 -5.501 21.465 -5.063 1.00 52.45 C ATOM 925 NZ LYS A 440 -6.896 21.980 -5.105 1.00 2.32 N ATOM 0 H LYS A 440 -7.131 17.117 -1.450 1.00 42.53 H new ATOM 0 HA LYS A 440 -7.404 17.554 -3.569 1.00 54.20 H new ATOM 0 HB2 LYS A 440 -4.485 18.378 -3.738 1.00 44.22 H new ATOM 0 HB3 LYS A 440 -5.745 18.773 -4.891 1.00 44.22 H new ATOM 0 HG2 LYS A 440 -6.918 20.106 -3.104 1.00 54.40 H new ATOM 0 HG3 LYS A 440 -5.596 19.759 -2.008 1.00 54.40 H new ATOM 0 HD2 LYS A 440 -5.200 21.960 -2.977 1.00 63.42 H new ATOM 0 HD3 LYS A 440 -3.997 20.863 -3.627 1.00 63.42 H new ATOM 0 HE2 LYS A 440 -4.824 22.218 -5.467 1.00 52.45 H new ATOM 0 HE3 LYS A 440 -5.420 20.587 -5.703 1.00 52.45 H new ATOM 0 HZ1 LYS A 440 -7.493 21.322 -5.645 1.00 2.32 H new ATOM 0 HZ2 LYS A 440 -7.264 22.066 -4.136 1.00 2.32 H new ATOM 0 HZ3 LYS A 440 -6.908 22.913 -5.563 1.00 2.32 H new ATOM 939 N THR A 441 -6.844 15.108 -4.267 1.00 14.41 N ATOM 940 CA THR A 441 -6.670 13.875 -5.073 1.00 61.01 C ATOM 941 C THR A 441 -6.878 14.127 -6.589 1.00 72.15 C ATOM 942 O THR A 441 -6.701 13.217 -7.406 1.00 63.22 O ATOM 943 CB THR A 441 -7.645 12.761 -4.592 1.00 61.34 C ATOM 944 OG1 THR A 441 -8.999 13.244 -4.649 1.00 43.12 O ATOM 945 CG2 THR A 441 -7.319 12.302 -3.159 1.00 11.43 C ATOM 0 H THR A 441 -7.716 15.128 -3.738 1.00 14.41 H new ATOM 0 HA THR A 441 -5.640 13.549 -4.926 1.00 61.01 H new ATOM 0 HB THR A 441 -7.528 11.904 -5.255 1.00 61.34 H new ATOM 0 HG1 THR A 441 -9.606 12.496 -4.831 1.00 43.12 H new ATOM 0 HG21 THR A 441 -8.020 11.524 -2.858 1.00 11.43 H new ATOM 0 HG22 THR A 441 -6.303 11.908 -3.125 1.00 11.43 H new ATOM 0 HG23 THR A 441 -7.402 13.149 -2.478 1.00 11.43 H new ATOM 953 N GLU A 442 -7.265 15.371 -6.941 1.00 1.30 N ATOM 954 CA GLU A 442 -7.302 15.876 -8.336 1.00 22.30 C ATOM 955 C GLU A 442 -5.912 15.788 -9.027 1.00 44.35 C ATOM 956 O GLU A 442 -5.821 15.694 -10.259 1.00 75.31 O ATOM 957 CB GLU A 442 -7.790 17.356 -8.332 1.00 44.30 C ATOM 958 CG GLU A 442 -6.902 18.326 -7.531 1.00 2.54 C ATOM 959 CD GLU A 442 -7.395 19.779 -7.580 1.00 64.45 C ATOM 960 OE1 GLU A 442 -8.333 20.123 -6.828 1.00 34.23 O ATOM 961 OE2 GLU A 442 -6.844 20.589 -8.354 1.00 3.05 O ATOM 0 H GLU A 442 -7.565 16.065 -6.257 1.00 1.30 H new ATOM 0 HA GLU A 442 -7.990 15.248 -8.902 1.00 22.30 H new ATOM 0 HB2 GLU A 442 -7.850 17.707 -9.362 1.00 44.30 H new ATOM 0 HB3 GLU A 442 -8.800 17.390 -7.924 1.00 44.30 H new ATOM 0 HG2 GLU A 442 -6.862 17.998 -6.492 1.00 2.54 H new ATOM 0 HG3 GLU A 442 -5.884 18.281 -7.919 1.00 2.54 H new ATOM 968 N GLN A 443 -4.843 15.823 -8.209 1.00 15.32 N ATOM 969 CA GLN A 443 -3.436 15.803 -8.673 1.00 54.21 C ATOM 970 C GLN A 443 -2.928 14.349 -8.908 1.00 32.42 C ATOM 971 O GLN A 443 -1.844 14.143 -9.470 1.00 63.45 O ATOM 972 CB GLN A 443 -2.555 16.533 -7.623 1.00 32.22 C ATOM 973 CG GLN A 443 -3.109 17.908 -7.195 1.00 35.03 C ATOM 974 CD GLN A 443 -2.236 18.645 -6.183 1.00 21.40 C ATOM 975 OE1 GLN A 443 -2.400 18.343 -4.911 1.00 20.55 O flip ATOM 976 NE2 GLN A 443 -1.387 19.451 -6.543 1.00 44.14 N flip ATOM 0 H GLN A 443 -4.930 15.867 -7.194 1.00 15.32 H new ATOM 0 HA GLN A 443 -3.372 16.317 -9.632 1.00 54.21 H new ATOM 0 HB2 GLN A 443 -2.457 15.900 -6.741 1.00 32.22 H new ATOM 0 HB3 GLN A 443 -1.553 16.666 -8.032 1.00 32.22 H new ATOM 0 HG2 GLN A 443 -3.225 18.532 -8.081 1.00 35.03 H new ATOM 0 HG3 GLN A 443 -4.103 17.771 -6.769 1.00 35.03 H new ATOM 0 HE21 GLN A 443 -1.278 19.669 -7.533 1.00 44.14 H new ATOM 0 HE22 GLN A 443 -0.789 19.904 -5.852 1.00 44.14 H new ATOM 985 N TRP A 444 -3.728 13.355 -8.475 1.00 4.40 N ATOM 986 CA TRP A 444 -3.403 11.910 -8.596 1.00 14.21 C ATOM 987 C TRP A 444 -3.773 11.361 -10.008 1.00 75.03 C ATOM 988 O TRP A 444 -4.683 11.894 -10.658 1.00 23.02 O ATOM 989 CB TRP A 444 -4.172 11.102 -7.504 1.00 41.43 C ATOM 990 CG TRP A 444 -3.799 11.411 -6.070 1.00 53.45 C ATOM 991 CD1 TRP A 444 -3.170 12.523 -5.583 1.00 41.31 C ATOM 992 CD2 TRP A 444 -4.060 10.579 -4.933 1.00 10.12 C ATOM 993 NE1 TRP A 444 -3.025 12.430 -4.226 1.00 50.13 N ATOM 994 CE2 TRP A 444 -3.562 11.246 -3.802 1.00 54.13 C ATOM 995 CE3 TRP A 444 -4.668 9.332 -4.767 1.00 73.51 C ATOM 996 CZ2 TRP A 444 -3.649 10.706 -2.524 1.00 20.24 C ATOM 997 CZ3 TRP A 444 -4.756 8.799 -3.500 1.00 23.33 C ATOM 998 CH2 TRP A 444 -4.249 9.485 -2.390 1.00 72.23 C ATOM 0 H TRP A 444 -4.628 13.528 -8.026 1.00 4.40 H new ATOM 0 HA TRP A 444 -2.328 11.794 -8.455 1.00 14.21 H new ATOM 0 HB2 TRP A 444 -5.239 11.284 -7.629 1.00 41.43 H new ATOM 0 HB3 TRP A 444 -4.007 10.039 -7.682 1.00 41.43 H new ATOM 0 HD1 TRP A 444 -2.835 13.356 -6.184 1.00 41.31 H new ATOM 0 HE1 TRP A 444 -2.587 13.130 -3.627 1.00 50.13 H new ATOM 0 HE3 TRP A 444 -5.062 8.795 -5.617 1.00 73.51 H new ATOM 0 HZ2 TRP A 444 -3.256 11.233 -1.667 1.00 20.24 H new ATOM 0 HZ3 TRP A 444 -5.224 7.836 -3.361 1.00 23.33 H new ATOM 0 HH2 TRP A 444 -4.333 9.041 -1.409 1.00 72.23 H new ATOM 1009 N PRO A 445 -3.082 10.273 -10.498 1.00 5.32 N ATOM 1010 CA PRO A 445 -3.416 9.605 -11.794 1.00 22.22 C ATOM 1011 C PRO A 445 -4.723 8.758 -11.720 1.00 54.01 C ATOM 1012 O PRO A 445 -5.591 9.013 -10.879 1.00 54.42 O ATOM 1013 CB PRO A 445 -2.165 8.717 -12.039 1.00 43.14 C ATOM 1014 CG PRO A 445 -1.682 8.374 -10.666 1.00 52.13 C ATOM 1015 CD PRO A 445 -1.912 9.623 -9.843 1.00 4.23 C ATOM 0 HA PRO A 445 -3.618 10.314 -12.597 1.00 22.22 H new ATOM 0 HB2 PRO A 445 -2.418 7.822 -12.607 1.00 43.14 H new ATOM 0 HB3 PRO A 445 -1.403 9.251 -12.607 1.00 43.14 H new ATOM 0 HG2 PRO A 445 -2.230 7.525 -10.256 1.00 52.13 H new ATOM 0 HG3 PRO A 445 -0.628 8.098 -10.677 1.00 52.13 H new ATOM 0 HD2 PRO A 445 -2.121 9.382 -8.801 1.00 4.23 H new ATOM 0 HD3 PRO A 445 -1.037 10.273 -9.851 1.00 4.23 H new ATOM 1023 N GLN A 446 -4.884 7.788 -12.644 1.00 33.03 N ATOM 1024 CA GLN A 446 -6.005 6.808 -12.598 1.00 51.53 C ATOM 1025 C GLN A 446 -5.511 5.404 -12.160 1.00 54.33 C ATOM 1026 O GLN A 446 -6.304 4.562 -11.728 1.00 43.14 O ATOM 1027 CB GLN A 446 -6.706 6.713 -13.984 1.00 32.44 C ATOM 1028 CG GLN A 446 -5.853 6.076 -15.110 1.00 52.43 C ATOM 1029 CD GLN A 446 -6.636 5.853 -16.410 1.00 1.31 C ATOM 1030 OE1 GLN A 446 -6.663 6.704 -17.291 1.00 31.34 O ATOM 1031 NE2 GLN A 446 -7.287 4.710 -16.533 1.00 62.33 N ATOM 0 H GLN A 446 -4.254 7.657 -13.435 1.00 33.03 H new ATOM 0 HA GLN A 446 -6.722 7.164 -11.859 1.00 51.53 H new ATOM 0 HB2 GLN A 446 -7.622 6.133 -13.871 1.00 32.44 H new ATOM 0 HB3 GLN A 446 -6.999 7.716 -14.295 1.00 32.44 H new ATOM 0 HG2 GLN A 446 -4.996 6.718 -15.315 1.00 52.43 H new ATOM 0 HG3 GLN A 446 -5.459 5.121 -14.762 1.00 52.43 H new ATOM 0 HE21 GLN A 446 -7.248 4.018 -15.785 1.00 62.33 H new ATOM 0 HE22 GLN A 446 -7.828 4.520 -17.376 1.00 62.33 H new ATOM 1040 N LYS A 447 -4.195 5.156 -12.291 1.00 31.02 N ATOM 1041 CA LYS A 447 -3.581 3.841 -12.000 1.00 22.05 C ATOM 1042 C LYS A 447 -2.499 3.948 -10.900 1.00 25.35 C ATOM 1043 O LYS A 447 -1.727 4.911 -10.862 1.00 33.22 O ATOM 1044 CB LYS A 447 -2.966 3.246 -13.299 1.00 11.54 C ATOM 1045 CG LYS A 447 -2.234 1.900 -13.090 1.00 72.22 C ATOM 1046 CD LYS A 447 -1.616 1.326 -14.380 1.00 51.41 C ATOM 1047 CE LYS A 447 -0.820 0.042 -14.106 1.00 54.40 C ATOM 1048 NZ LYS A 447 -0.261 -0.547 -15.348 1.00 71.31 N ATOM 0 H LYS A 447 -3.525 5.859 -12.601 1.00 31.02 H new ATOM 0 HA LYS A 447 -4.364 3.179 -11.631 1.00 22.05 H new ATOM 0 HB2 LYS A 447 -3.759 3.106 -14.033 1.00 11.54 H new ATOM 0 HB3 LYS A 447 -2.265 3.967 -13.720 1.00 11.54 H new ATOM 0 HG2 LYS A 447 -1.446 2.036 -12.349 1.00 72.22 H new ATOM 0 HG3 LYS A 447 -2.936 1.174 -12.679 1.00 72.22 H new ATOM 0 HD2 LYS A 447 -2.407 1.117 -15.101 1.00 51.41 H new ATOM 0 HD3 LYS A 447 -0.961 2.071 -14.832 1.00 51.41 H new ATOM 0 HE2 LYS A 447 -0.008 0.261 -13.412 1.00 54.40 H new ATOM 0 HE3 LYS A 447 -1.467 -0.688 -13.619 1.00 54.40 H new ATOM 0 HZ1 LYS A 447 0.150 -1.478 -15.136 1.00 71.31 H new ATOM 0 HZ2 LYS A 447 -1.019 -0.655 -16.052 1.00 71.31 H new ATOM 0 HZ3 LYS A 447 0.477 0.079 -15.727 1.00 71.31 H new ATOM 1062 N LEU A 448 -2.463 2.933 -10.015 1.00 60.11 N ATOM 1063 CA LEU A 448 -1.437 2.791 -8.956 1.00 62.43 C ATOM 1064 C LEU A 448 -0.682 1.450 -9.126 1.00 1.34 C ATOM 1065 O LEU A 448 -1.301 0.408 -9.359 1.00 2.30 O ATOM 1066 CB LEU A 448 -2.104 2.859 -7.555 1.00 40.34 C ATOM 1067 CG LEU A 448 -2.849 4.187 -7.210 1.00 24.42 C ATOM 1068 CD1 LEU A 448 -3.450 4.148 -5.785 1.00 72.32 C ATOM 1069 CD2 LEU A 448 -1.936 5.414 -7.420 1.00 12.01 C ATOM 0 H LEU A 448 -3.151 2.180 -10.013 1.00 60.11 H new ATOM 0 HA LEU A 448 -0.722 3.609 -9.043 1.00 62.43 H new ATOM 0 HB2 LEU A 448 -2.815 2.036 -7.474 1.00 40.34 H new ATOM 0 HB3 LEU A 448 -1.335 2.692 -6.801 1.00 40.34 H new ATOM 0 HG LEU A 448 -3.684 4.286 -7.903 1.00 24.42 H new ATOM 0 HD11 LEU A 448 -3.961 5.089 -5.580 1.00 72.32 H new ATOM 0 HD12 LEU A 448 -4.162 3.325 -5.713 1.00 72.32 H new ATOM 0 HD13 LEU A 448 -2.652 4.002 -5.057 1.00 72.32 H new ATOM 0 HD21 LEU A 448 -2.484 6.322 -7.171 1.00 12.01 H new ATOM 0 HD22 LEU A 448 -1.061 5.331 -6.776 1.00 12.01 H new ATOM 0 HD23 LEU A 448 -1.617 5.456 -8.462 1.00 12.01 H new ATOM 1081 N ILE A 449 0.661 1.495 -9.024 1.00 62.01 N ATOM 1082 CA ILE A 449 1.530 0.300 -9.155 1.00 31.30 C ATOM 1083 C ILE A 449 2.037 -0.105 -7.751 1.00 42.40 C ATOM 1084 O ILE A 449 2.779 0.649 -7.113 1.00 13.43 O ATOM 1085 CB ILE A 449 2.765 0.535 -10.130 1.00 30.05 C ATOM 1086 CG1 ILE A 449 2.312 0.853 -11.611 1.00 53.52 C ATOM 1087 CG2 ILE A 449 3.730 -0.691 -10.112 1.00 45.24 C ATOM 1088 CD1 ILE A 449 1.675 2.223 -11.852 1.00 1.15 C ATOM 0 H ILE A 449 1.177 2.357 -8.849 1.00 62.01 H new ATOM 0 HA ILE A 449 0.932 -0.497 -9.597 1.00 31.30 H new ATOM 0 HB ILE A 449 3.296 1.410 -9.757 1.00 30.05 H new ATOM 0 HG12 ILE A 449 3.183 0.763 -12.261 1.00 53.52 H new ATOM 0 HG13 ILE A 449 1.601 0.087 -11.922 1.00 53.52 H new ATOM 0 HG21 ILE A 449 4.566 -0.506 -10.786 1.00 45.24 H new ATOM 0 HG22 ILE A 449 4.107 -0.843 -9.100 1.00 45.24 H new ATOM 0 HG23 ILE A 449 3.192 -1.582 -10.437 1.00 45.24 H new ATOM 0 HD11 ILE A 449 1.408 2.320 -12.904 1.00 1.15 H new ATOM 0 HD12 ILE A 449 0.778 2.320 -11.240 1.00 1.15 H new ATOM 0 HD13 ILE A 449 2.384 3.006 -11.584 1.00 1.15 H new ATOM 1100 N MET A 450 1.632 -1.292 -7.277 1.00 15.41 N ATOM 1101 CA MET A 450 1.970 -1.775 -5.926 1.00 50.44 C ATOM 1102 C MET A 450 3.088 -2.850 -5.960 1.00 62.53 C ATOM 1103 O MET A 450 3.120 -3.703 -6.851 1.00 62.22 O ATOM 1104 CB MET A 450 0.697 -2.325 -5.231 1.00 22.25 C ATOM 1105 CG MET A 450 0.898 -2.652 -3.751 1.00 1.42 C ATOM 1106 SD MET A 450 -0.629 -3.050 -2.871 1.00 42.10 S ATOM 1107 CE MET A 450 -1.007 -4.690 -3.479 1.00 12.13 C ATOM 0 H MET A 450 1.062 -1.944 -7.816 1.00 15.41 H new ATOM 0 HA MET A 450 2.355 -0.932 -5.352 1.00 50.44 H new ATOM 0 HB2 MET A 450 -0.104 -1.592 -5.327 1.00 22.25 H new ATOM 0 HB3 MET A 450 0.369 -3.225 -5.752 1.00 22.25 H new ATOM 0 HG2 MET A 450 1.584 -3.495 -3.666 1.00 1.42 H new ATOM 0 HG3 MET A 450 1.375 -1.802 -3.263 1.00 1.42 H new ATOM 0 HE1 MET A 450 -1.995 -4.688 -3.940 1.00 12.13 H new ATOM 0 HE2 MET A 450 -0.262 -4.985 -4.218 1.00 12.13 H new ATOM 0 HE3 MET A 450 -0.995 -5.397 -2.650 1.00 12.13 H new ATOM 1117 N GLN A 451 3.998 -2.784 -4.973 1.00 24.32 N ATOM 1118 CA GLN A 451 5.104 -3.750 -4.795 1.00 32.32 C ATOM 1119 C GLN A 451 4.931 -4.509 -3.453 1.00 21.54 C ATOM 1120 O GLN A 451 5.021 -3.903 -2.379 1.00 43.05 O ATOM 1121 CB GLN A 451 6.462 -2.991 -4.826 1.00 34.40 C ATOM 1122 CG GLN A 451 7.713 -3.884 -4.672 1.00 33.11 C ATOM 1123 CD GLN A 451 9.027 -3.093 -4.727 1.00 41.55 C ATOM 1124 OE1 GLN A 451 9.607 -2.900 -5.789 1.00 30.45 O ATOM 1125 NE2 GLN A 451 9.504 -2.626 -3.588 1.00 73.43 N ATOM 0 H GLN A 451 3.989 -2.050 -4.265 1.00 24.32 H new ATOM 0 HA GLN A 451 5.089 -4.479 -5.605 1.00 32.32 H new ATOM 0 HB2 GLN A 451 6.536 -2.448 -5.768 1.00 34.40 H new ATOM 0 HB3 GLN A 451 6.464 -2.248 -4.028 1.00 34.40 H new ATOM 0 HG2 GLN A 451 7.657 -4.418 -3.723 1.00 33.11 H new ATOM 0 HG3 GLN A 451 7.715 -4.636 -5.461 1.00 33.11 H new ATOM 0 HE21 GLN A 451 9.004 -2.799 -2.716 1.00 73.43 H new ATOM 0 HE22 GLN A 451 10.373 -2.092 -3.580 1.00 73.43 H new ATOM 1134 N LEU A 452 4.660 -5.826 -3.526 1.00 42.40 N ATOM 1135 CA LEU A 452 4.516 -6.693 -2.331 1.00 74.54 C ATOM 1136 C LEU A 452 5.887 -6.920 -1.650 1.00 64.15 C ATOM 1137 O LEU A 452 6.784 -7.534 -2.231 1.00 14.24 O ATOM 1138 CB LEU A 452 3.886 -8.052 -2.726 1.00 62.10 C ATOM 1139 CG LEU A 452 2.435 -7.991 -3.297 1.00 53.33 C ATOM 1140 CD1 LEU A 452 1.975 -9.386 -3.762 1.00 10.11 C ATOM 1141 CD2 LEU A 452 1.452 -7.380 -2.263 1.00 54.31 C ATOM 0 H LEU A 452 4.534 -6.321 -4.409 1.00 42.40 H new ATOM 0 HA LEU A 452 3.858 -6.191 -1.622 1.00 74.54 H new ATOM 0 HB2 LEU A 452 4.528 -8.526 -3.468 1.00 62.10 H new ATOM 0 HB3 LEU A 452 3.883 -8.698 -1.848 1.00 62.10 H new ATOM 0 HG LEU A 452 2.438 -7.335 -4.167 1.00 53.33 H new ATOM 0 HD11 LEU A 452 0.961 -9.322 -4.157 1.00 10.11 H new ATOM 0 HD12 LEU A 452 2.645 -9.749 -4.541 1.00 10.11 H new ATOM 0 HD13 LEU A 452 1.993 -10.075 -2.918 1.00 10.11 H new ATOM 0 HD21 LEU A 452 0.449 -7.350 -2.688 1.00 54.31 H new ATOM 0 HD22 LEU A 452 1.446 -7.992 -1.361 1.00 54.31 H new ATOM 0 HD23 LEU A 452 1.770 -6.368 -2.012 1.00 54.31 H new ATOM 1153 N ILE A 453 6.033 -6.393 -0.426 1.00 50.53 N ATOM 1154 CA ILE A 453 7.279 -6.487 0.369 1.00 23.40 C ATOM 1155 C ILE A 453 6.972 -7.005 1.800 1.00 31.45 C ATOM 1156 O ILE A 453 5.897 -6.715 2.345 1.00 12.13 O ATOM 1157 CB ILE A 453 8.024 -5.093 0.444 1.00 3.42 C ATOM 1158 CG1 ILE A 453 7.068 -3.957 0.944 1.00 42.11 C ATOM 1159 CG2 ILE A 453 8.673 -4.734 -0.917 1.00 44.23 C ATOM 1160 CD1 ILE A 453 7.732 -2.595 1.098 1.00 40.13 C ATOM 0 H ILE A 453 5.287 -5.884 0.049 1.00 50.53 H new ATOM 0 HA ILE A 453 7.938 -7.196 -0.133 1.00 23.40 H new ATOM 0 HB ILE A 453 8.825 -5.185 1.177 1.00 3.42 H new ATOM 0 HG12 ILE A 453 6.237 -3.865 0.245 1.00 42.11 H new ATOM 0 HG13 ILE A 453 6.645 -4.252 1.904 1.00 42.11 H new ATOM 0 HG21 ILE A 453 9.178 -3.771 -0.837 1.00 44.23 H new ATOM 0 HG22 ILE A 453 9.397 -5.502 -1.189 1.00 44.23 H new ATOM 0 HG23 ILE A 453 7.901 -4.676 -1.684 1.00 44.23 H new ATOM 0 HD11 ILE A 453 6.997 -1.870 1.448 1.00 40.13 H new ATOM 0 HD12 ILE A 453 8.545 -2.666 1.821 1.00 40.13 H new ATOM 0 HD13 ILE A 453 8.130 -2.273 0.136 1.00 40.13 H new ATOM 1172 N PRO A 454 7.901 -7.803 2.424 1.00 44.32 N ATOM 1173 CA PRO A 454 7.717 -8.317 3.807 1.00 62.15 C ATOM 1174 C PRO A 454 7.593 -7.169 4.850 1.00 33.33 C ATOM 1175 O PRO A 454 8.496 -6.333 4.992 1.00 75.11 O ATOM 1176 CB PRO A 454 8.983 -9.190 4.040 1.00 21.04 C ATOM 1177 CG PRO A 454 9.985 -8.667 3.059 1.00 21.34 C ATOM 1178 CD PRO A 454 9.189 -8.270 1.839 1.00 21.52 C ATOM 0 HA PRO A 454 6.791 -8.880 3.926 1.00 62.15 H new ATOM 0 HB2 PRO A 454 9.345 -9.099 5.064 1.00 21.04 H new ATOM 0 HB3 PRO A 454 8.774 -10.246 3.869 1.00 21.04 H new ATOM 0 HG2 PRO A 454 10.526 -7.814 3.469 1.00 21.34 H new ATOM 0 HG3 PRO A 454 10.727 -9.427 2.813 1.00 21.34 H new ATOM 0 HD2 PRO A 454 9.685 -7.483 1.271 1.00 21.52 H new ATOM 0 HD3 PRO A 454 9.044 -9.110 1.160 1.00 21.52 H new ATOM 1186 N GLN A 455 6.461 -7.168 5.576 1.00 14.25 N ATOM 1187 CA GLN A 455 6.082 -6.110 6.548 1.00 63.54 C ATOM 1188 C GLN A 455 7.114 -5.969 7.713 1.00 21.11 C ATOM 1189 O GLN A 455 7.254 -4.894 8.312 1.00 22.12 O ATOM 1190 CB GLN A 455 4.657 -6.425 7.086 1.00 33.32 C ATOM 1191 CG GLN A 455 4.034 -5.334 7.978 1.00 53.44 C ATOM 1192 CD GLN A 455 2.637 -5.680 8.510 1.00 65.34 C ATOM 1193 OE1 GLN A 455 2.288 -6.844 8.692 1.00 15.22 O ATOM 1194 NE2 GLN A 455 1.838 -4.667 8.795 1.00 75.13 N ATOM 0 H GLN A 455 5.767 -7.913 5.507 1.00 14.25 H new ATOM 0 HA GLN A 455 6.083 -5.147 6.037 1.00 63.54 H new ATOM 0 HB2 GLN A 455 3.996 -6.598 6.237 1.00 33.32 H new ATOM 0 HB3 GLN A 455 4.698 -7.355 7.653 1.00 33.32 H new ATOM 0 HG2 GLN A 455 4.697 -5.149 8.823 1.00 53.44 H new ATOM 0 HG3 GLN A 455 3.975 -4.406 7.410 1.00 53.44 H new ATOM 0 HE21 GLN A 455 2.151 -3.710 8.635 1.00 75.13 H new ATOM 0 HE22 GLN A 455 0.908 -4.842 9.175 1.00 75.13 H new ATOM 1203 N GLN A 456 7.847 -7.066 7.988 1.00 65.33 N ATOM 1204 CA GLN A 456 8.905 -7.130 9.030 1.00 61.11 C ATOM 1205 C GLN A 456 10.042 -6.082 8.822 1.00 54.24 C ATOM 1206 O GLN A 456 10.594 -5.562 9.794 1.00 20.44 O ATOM 1207 CB GLN A 456 9.500 -8.570 9.065 1.00 53.01 C ATOM 1208 CG GLN A 456 10.134 -9.051 7.740 1.00 74.02 C ATOM 1209 CD GLN A 456 10.506 -10.538 7.751 1.00 43.33 C ATOM 1210 OE1 GLN A 456 11.607 -10.911 8.129 1.00 54.55 O ATOM 1211 NE2 GLN A 456 9.586 -11.398 7.349 1.00 23.21 N ATOM 0 H GLN A 456 7.723 -7.947 7.489 1.00 65.33 H new ATOM 0 HA GLN A 456 8.437 -6.884 9.983 1.00 61.11 H new ATOM 0 HB2 GLN A 456 10.256 -8.615 9.849 1.00 53.01 H new ATOM 0 HB3 GLN A 456 8.709 -9.266 9.345 1.00 53.01 H new ATOM 0 HG2 GLN A 456 9.437 -8.864 6.923 1.00 74.02 H new ATOM 0 HG3 GLN A 456 11.028 -8.461 7.538 1.00 74.02 H new ATOM 0 HE21 GLN A 456 8.675 -11.062 7.038 1.00 23.21 H new ATOM 0 HE22 GLN A 456 9.788 -12.398 7.350 1.00 23.21 H new ATOM 1220 N LEU A 457 10.374 -5.785 7.553 1.00 63.24 N ATOM 1221 CA LEU A 457 11.448 -4.820 7.192 1.00 72.00 C ATOM 1222 C LEU A 457 10.972 -3.350 7.360 1.00 72.11 C ATOM 1223 O LEU A 457 11.780 -2.448 7.607 1.00 54.33 O ATOM 1224 CB LEU A 457 11.923 -5.090 5.735 1.00 4.54 C ATOM 1225 CG LEU A 457 12.469 -6.529 5.460 1.00 64.34 C ATOM 1226 CD1 LEU A 457 12.885 -6.709 3.988 1.00 73.44 C ATOM 1227 CD2 LEU A 457 13.630 -6.875 6.414 1.00 11.34 C ATOM 0 H LEU A 457 9.911 -6.202 6.745 1.00 63.24 H new ATOM 0 HA LEU A 457 12.287 -4.964 7.872 1.00 72.00 H new ATOM 0 HB2 LEU A 457 11.089 -4.901 5.059 1.00 4.54 H new ATOM 0 HB3 LEU A 457 12.703 -4.371 5.487 1.00 4.54 H new ATOM 0 HG LEU A 457 11.656 -7.228 5.655 1.00 64.34 H new ATOM 0 HD11 LEU A 457 13.259 -7.722 3.837 1.00 73.44 H new ATOM 0 HD12 LEU A 457 12.023 -6.541 3.343 1.00 73.44 H new ATOM 0 HD13 LEU A 457 13.668 -5.992 3.741 1.00 73.44 H new ATOM 0 HD21 LEU A 457 13.990 -7.881 6.200 1.00 11.34 H new ATOM 0 HD22 LEU A 457 14.442 -6.162 6.273 1.00 11.34 H new ATOM 0 HD23 LEU A 457 13.280 -6.827 7.445 1.00 11.34 H new ATOM 1239 N LEU A 458 9.651 -3.138 7.244 1.00 2.40 N ATOM 1240 CA LEU A 458 9.006 -1.797 7.342 1.00 51.42 C ATOM 1241 C LEU A 458 8.923 -1.260 8.787 1.00 42.03 C ATOM 1242 O LEU A 458 8.749 -0.058 8.996 1.00 20.11 O ATOM 1243 CB LEU A 458 7.597 -1.887 6.734 1.00 1.21 C ATOM 1244 CG LEU A 458 7.567 -2.174 5.209 1.00 73.44 C ATOM 1245 CD1 LEU A 458 6.160 -2.562 4.757 1.00 63.31 C ATOM 1246 CD2 LEU A 458 8.106 -0.960 4.417 1.00 21.42 C ATOM 0 H LEU A 458 8.985 -3.893 7.078 1.00 2.40 H new ATOM 0 HA LEU A 458 9.629 -1.091 6.792 1.00 51.42 H new ATOM 0 HB2 LEU A 458 7.043 -2.672 7.249 1.00 1.21 H new ATOM 0 HB3 LEU A 458 7.073 -0.950 6.924 1.00 1.21 H new ATOM 0 HG LEU A 458 8.221 -3.021 5.002 1.00 73.44 H new ATOM 0 HD11 LEU A 458 6.163 -2.758 3.685 1.00 63.31 H new ATOM 0 HD12 LEU A 458 5.841 -3.458 5.289 1.00 63.31 H new ATOM 0 HD13 LEU A 458 5.470 -1.746 4.974 1.00 63.31 H new ATOM 0 HD21 LEU A 458 8.077 -1.180 3.350 1.00 21.42 H new ATOM 0 HD22 LEU A 458 7.488 -0.087 4.624 1.00 21.42 H new ATOM 0 HD23 LEU A 458 9.134 -0.756 4.718 1.00 21.42 H new ATOM 1258 N THR A 459 9.036 -2.161 9.773 1.00 55.04 N ATOM 1259 CA THR A 459 9.053 -1.789 11.217 1.00 40.52 C ATOM 1260 C THR A 459 10.275 -0.892 11.566 1.00 62.21 C ATOM 1261 O THR A 459 10.262 -0.154 12.556 1.00 23.13 O ATOM 1262 CB THR A 459 9.060 -3.066 12.116 1.00 65.25 C ATOM 1263 OG1 THR A 459 10.288 -3.797 11.934 1.00 73.31 O ATOM 1264 CG2 THR A 459 7.860 -3.983 11.797 1.00 30.30 C ATOM 0 H THR A 459 9.118 -3.164 9.607 1.00 55.04 H new ATOM 0 HA THR A 459 8.146 -1.218 11.413 1.00 40.52 H new ATOM 0 HB THR A 459 8.979 -2.742 13.154 1.00 65.25 H new ATOM 0 HG1 THR A 459 10.216 -4.365 11.139 1.00 73.31 H new ATOM 0 HG21 THR A 459 7.894 -4.863 12.439 1.00 30.30 H new ATOM 0 HG22 THR A 459 6.931 -3.441 11.973 1.00 30.30 H new ATOM 0 HG23 THR A 459 7.907 -4.294 10.753 1.00 30.30 H new ATOM 1272 N THR A 460 11.322 -0.977 10.718 1.00 32.24 N ATOM 1273 CA THR A 460 12.520 -0.098 10.765 1.00 43.25 C ATOM 1274 C THR A 460 12.164 1.388 10.465 1.00 12.31 C ATOM 1275 O THR A 460 12.777 2.311 11.012 1.00 44.03 O ATOM 1276 CB THR A 460 13.587 -0.595 9.726 1.00 73.22 C ATOM 1277 OG1 THR A 460 13.913 -1.972 9.996 1.00 2.20 O ATOM 1278 CG2 THR A 460 14.888 0.232 9.742 1.00 62.13 C ATOM 0 H THR A 460 11.364 -1.667 9.968 1.00 32.24 H new ATOM 0 HA THR A 460 12.925 -0.151 11.776 1.00 43.25 H new ATOM 0 HB THR A 460 13.139 -0.477 8.739 1.00 73.22 H new ATOM 0 HG1 THR A 460 14.578 -2.284 9.347 1.00 2.20 H new ATOM 0 HG21 THR A 460 15.581 -0.165 9.000 1.00 62.13 H new ATOM 0 HG22 THR A 460 14.661 1.272 9.506 1.00 62.13 H new ATOM 0 HG23 THR A 460 15.343 0.175 10.731 1.00 62.13 H new ATOM 1286 N LEU A 461 11.145 1.597 9.607 1.00 11.40 N ATOM 1287 CA LEU A 461 10.735 2.943 9.128 1.00 40.51 C ATOM 1288 C LEU A 461 9.644 3.577 10.041 1.00 14.43 C ATOM 1289 O LEU A 461 8.806 4.343 9.563 1.00 64.11 O ATOM 1290 CB LEU A 461 10.217 2.832 7.661 1.00 44.13 C ATOM 1291 CG LEU A 461 11.133 2.064 6.642 1.00 41.50 C ATOM 1292 CD1 LEU A 461 10.526 2.077 5.218 1.00 14.03 C ATOM 1293 CD2 LEU A 461 12.585 2.600 6.649 1.00 14.31 C ATOM 0 H LEU A 461 10.579 0.840 9.223 1.00 11.40 H new ATOM 0 HA LEU A 461 11.605 3.598 9.165 1.00 40.51 H new ATOM 0 HB2 LEU A 461 9.244 2.340 7.681 1.00 44.13 H new ATOM 0 HB3 LEU A 461 10.057 3.841 7.280 1.00 44.13 H new ATOM 0 HG LEU A 461 11.179 1.026 6.970 1.00 41.50 H new ATOM 0 HD11 LEU A 461 11.184 1.537 4.537 1.00 14.03 H new ATOM 0 HD12 LEU A 461 9.548 1.596 5.235 1.00 14.03 H new ATOM 0 HD13 LEU A 461 10.418 3.107 4.878 1.00 14.03 H new ATOM 0 HD21 LEU A 461 13.183 2.040 5.930 1.00 14.31 H new ATOM 0 HD22 LEU A 461 12.585 3.656 6.377 1.00 14.31 H new ATOM 0 HD23 LEU A 461 13.012 2.482 7.645 1.00 14.31 H new ATOM 1305 N GLY A 462 9.703 3.284 11.357 1.00 54.43 N ATOM 1306 CA GLY A 462 8.742 3.815 12.351 1.00 61.31 C ATOM 1307 C GLY A 462 8.538 5.350 12.311 1.00 22.31 C ATOM 1308 O GLY A 462 7.389 5.802 12.256 1.00 62.51 O ATOM 0 H GLY A 462 10.415 2.675 11.761 1.00 54.43 H new ATOM 0 HA2 GLY A 462 7.778 3.332 12.196 1.00 61.31 H new ATOM 0 HA3 GLY A 462 9.082 3.535 13.348 1.00 61.31 H new ATOM 1312 N PRO A 463 9.630 6.192 12.355 1.00 65.40 N ATOM 1313 CA PRO A 463 9.527 7.677 12.177 1.00 73.13 C ATOM 1314 C PRO A 463 8.885 8.099 10.824 1.00 24.15 C ATOM 1315 O PRO A 463 8.160 9.103 10.764 1.00 53.55 O ATOM 1316 CB PRO A 463 11.003 8.165 12.283 1.00 25.20 C ATOM 1317 CG PRO A 463 11.833 6.934 12.060 1.00 15.30 C ATOM 1318 CD PRO A 463 11.033 5.798 12.649 1.00 71.32 C ATOM 0 HA PRO A 463 8.868 8.121 12.923 1.00 73.13 H new ATOM 0 HB2 PRO A 463 11.221 8.929 11.537 1.00 25.20 H new ATOM 0 HB3 PRO A 463 11.204 8.606 13.259 1.00 25.20 H new ATOM 0 HG2 PRO A 463 12.020 6.773 10.998 1.00 15.30 H new ATOM 0 HG3 PRO A 463 12.805 7.023 12.545 1.00 15.30 H new ATOM 0 HD2 PRO A 463 11.289 4.843 12.190 1.00 71.32 H new ATOM 0 HD3 PRO A 463 11.207 5.694 13.720 1.00 71.32 H new ATOM 1326 N LEU A 464 9.149 7.330 9.748 1.00 65.54 N ATOM 1327 CA LEU A 464 8.545 7.582 8.415 1.00 73.50 C ATOM 1328 C LEU A 464 7.007 7.358 8.435 1.00 1.54 C ATOM 1329 O LEU A 464 6.260 8.106 7.795 1.00 4.21 O ATOM 1330 CB LEU A 464 9.240 6.718 7.328 1.00 61.34 C ATOM 1331 CG LEU A 464 10.718 7.119 6.998 1.00 14.30 C ATOM 1332 CD1 LEU A 464 11.388 6.113 6.039 1.00 32.22 C ATOM 1333 CD2 LEU A 464 10.788 8.563 6.439 1.00 73.43 C ATOM 0 H LEU A 464 9.777 6.527 9.772 1.00 65.54 H new ATOM 0 HA LEU A 464 8.708 8.630 8.162 1.00 73.50 H new ATOM 0 HB2 LEU A 464 9.227 5.677 7.651 1.00 61.34 H new ATOM 0 HB3 LEU A 464 8.652 6.775 6.412 1.00 61.34 H new ATOM 0 HG LEU A 464 11.280 7.090 7.932 1.00 14.30 H new ATOM 0 HD11 LEU A 464 12.411 6.429 5.837 1.00 32.22 H new ATOM 0 HD12 LEU A 464 11.398 5.124 6.498 1.00 32.22 H new ATOM 0 HD13 LEU A 464 10.829 6.074 5.104 1.00 32.22 H new ATOM 0 HD21 LEU A 464 11.824 8.818 6.218 1.00 73.43 H new ATOM 0 HD22 LEU A 464 10.195 8.629 5.527 1.00 73.43 H new ATOM 0 HD23 LEU A 464 10.393 9.259 7.179 1.00 73.43 H new ATOM 1345 N PHE A 465 6.547 6.349 9.207 1.00 41.02 N ATOM 1346 CA PHE A 465 5.100 6.102 9.453 1.00 24.33 C ATOM 1347 C PHE A 465 4.499 7.104 10.484 1.00 54.24 C ATOM 1348 O PHE A 465 3.280 7.323 10.502 1.00 24.31 O ATOM 1349 CB PHE A 465 4.869 4.639 9.919 1.00 50.42 C ATOM 1350 CG PHE A 465 5.107 3.593 8.825 1.00 70.50 C ATOM 1351 CD1 PHE A 465 4.212 3.469 7.764 1.00 32.21 C ATOM 1352 CD2 PHE A 465 6.208 2.736 8.855 1.00 73.45 C ATOM 1353 CE1 PHE A 465 4.409 2.531 6.771 1.00 23.31 C ATOM 1354 CE2 PHE A 465 6.404 1.797 7.857 1.00 3.22 C ATOM 1355 CZ PHE A 465 5.504 1.694 6.820 1.00 74.10 C ATOM 0 H PHE A 465 7.161 5.683 9.677 1.00 41.02 H new ATOM 0 HA PHE A 465 4.581 6.260 8.508 1.00 24.33 H new ATOM 0 HB2 PHE A 465 5.530 4.427 10.760 1.00 50.42 H new ATOM 0 HB3 PHE A 465 3.847 4.542 10.284 1.00 50.42 H new ATOM 0 HD1 PHE A 465 3.350 4.118 7.718 1.00 32.21 H new ATOM 0 HD2 PHE A 465 6.916 2.806 9.667 1.00 73.45 H new ATOM 0 HE1 PHE A 465 3.705 2.452 5.955 1.00 23.31 H new ATOM 0 HE2 PHE A 465 7.264 1.144 7.892 1.00 3.22 H new ATOM 0 HZ PHE A 465 5.656 0.958 6.045 1.00 74.10 H new ATOM 1365 N ARG A 466 5.356 7.702 11.337 1.00 4.22 N ATOM 1366 CA ARG A 466 4.939 8.750 12.307 1.00 30.22 C ATOM 1367 C ARG A 466 4.553 10.075 11.607 1.00 65.12 C ATOM 1368 O ARG A 466 3.771 10.862 12.153 1.00 52.23 O ATOM 1369 CB ARG A 466 6.051 8.992 13.370 1.00 3.52 C ATOM 1370 CG ARG A 466 6.095 7.963 14.531 1.00 11.10 C ATOM 1371 CD ARG A 466 5.042 8.243 15.639 1.00 32.33 C ATOM 1372 NE ARG A 466 3.642 8.183 15.156 1.00 60.50 N ATOM 1373 CZ ARG A 466 2.750 9.159 15.234 1.00 22.54 C ATOM 1374 NH1 ARG A 466 3.063 10.333 15.686 1.00 61.51 N ATOM 1375 NH2 ARG A 466 1.546 8.968 14.812 1.00 72.44 N ATOM 0 H ARG A 466 6.350 7.478 11.378 1.00 4.22 H new ATOM 0 HA ARG A 466 4.046 8.382 12.812 1.00 30.22 H new ATOM 0 HB2 ARG A 466 7.018 8.989 12.867 1.00 3.52 H new ATOM 0 HB3 ARG A 466 5.915 9.987 13.794 1.00 3.52 H new ATOM 0 HG2 ARG A 466 5.932 6.963 14.128 1.00 11.10 H new ATOM 0 HG3 ARG A 466 7.090 7.969 14.975 1.00 11.10 H new ATOM 0 HD2 ARG A 466 5.171 7.518 16.443 1.00 32.33 H new ATOM 0 HD3 ARG A 466 5.229 9.229 16.065 1.00 32.33 H new ATOM 0 HE ARG A 466 3.338 7.310 14.724 1.00 60.50 H new ATOM 0 HH11 ARG A 466 4.017 10.524 15.993 1.00 61.51 H new ATOM 0 HH12 ARG A 466 2.355 11.066 15.735 1.00 61.51 H new ATOM 0 HH21 ARG A 466 1.281 8.065 14.418 1.00 72.44 H new ATOM 0 HH22 ARG A 466 0.859 9.720 14.872 1.00 72.44 H new ATOM 1389 N ASN A 467 5.117 10.322 10.408 1.00 72.33 N ATOM 1390 CA ASN A 467 4.709 11.459 9.547 1.00 25.31 C ATOM 1391 C ASN A 467 3.989 10.915 8.284 1.00 70.34 C ATOM 1392 O ASN A 467 4.312 11.268 7.144 1.00 51.42 O ATOM 1393 CB ASN A 467 5.948 12.342 9.196 1.00 44.14 C ATOM 1394 CG ASN A 467 5.581 13.691 8.555 1.00 21.44 C ATOM 1395 OD1 ASN A 467 4.512 14.246 8.796 1.00 72.54 O ATOM 1396 ND2 ASN A 467 6.465 14.230 7.738 1.00 21.10 N ATOM 0 H ASN A 467 5.860 9.748 10.009 1.00 72.33 H new ATOM 0 HA ASN A 467 4.006 12.100 10.079 1.00 25.31 H new ATOM 0 HB2 ASN A 467 6.522 12.525 10.104 1.00 44.14 H new ATOM 0 HB3 ASN A 467 6.596 11.790 8.515 1.00 44.14 H new ATOM 0 HD21 ASN A 467 6.267 15.126 7.292 1.00 21.10 H new ATOM 0 HD22 ASN A 467 7.346 13.751 7.552 1.00 21.10 H new ATOM 1403 N SER A 468 3.000 10.031 8.519 1.00 75.23 N ATOM 1404 CA SER A 468 2.154 9.437 7.451 1.00 64.13 C ATOM 1405 C SER A 468 0.657 9.709 7.704 1.00 65.20 C ATOM 1406 O SER A 468 0.205 9.768 8.849 1.00 51.12 O ATOM 1407 CB SER A 468 2.384 7.913 7.331 1.00 54.14 C ATOM 1408 OG SER A 468 3.681 7.616 6.855 1.00 24.04 O ATOM 0 H SER A 468 2.760 9.704 9.455 1.00 75.23 H new ATOM 0 HA SER A 468 2.448 9.913 6.516 1.00 64.13 H new ATOM 0 HB2 SER A 468 2.238 7.445 8.305 1.00 54.14 H new ATOM 0 HB3 SER A 468 1.642 7.485 6.657 1.00 54.14 H new ATOM 0 HG SER A 468 4.346 8.072 7.411 1.00 24.04 H new ATOM 1414 N ARG A 469 -0.103 9.820 6.608 1.00 64.33 N ATOM 1415 CA ARG A 469 -1.542 10.173 6.618 1.00 54.12 C ATOM 1416 C ARG A 469 -2.417 8.912 6.435 1.00 50.35 C ATOM 1417 O ARG A 469 -2.230 8.183 5.467 1.00 31.04 O ATOM 1418 CB ARG A 469 -1.795 11.154 5.445 1.00 1.41 C ATOM 1419 CG ARG A 469 -3.157 11.884 5.460 1.00 64.31 C ATOM 1420 CD ARG A 469 -3.415 12.660 4.147 1.00 11.14 C ATOM 1421 NE ARG A 469 -4.339 13.791 4.320 1.00 43.12 N ATOM 1422 CZ ARG A 469 -5.541 13.894 3.807 1.00 22.30 C ATOM 1423 NH1 ARG A 469 -6.171 12.877 3.293 1.00 2.23 N ATOM 1424 NH2 ARG A 469 -6.124 15.034 3.840 1.00 43.24 N ATOM 0 H ARG A 469 0.264 9.666 5.669 1.00 64.33 H new ATOM 0 HA ARG A 469 -1.804 10.629 7.573 1.00 54.12 H new ATOM 0 HB2 ARG A 469 -1.003 11.903 5.445 1.00 1.41 H new ATOM 0 HB3 ARG A 469 -1.711 10.601 4.509 1.00 1.41 H new ATOM 0 HG2 ARG A 469 -3.955 11.158 5.615 1.00 64.31 H new ATOM 0 HG3 ARG A 469 -3.188 12.576 6.302 1.00 64.31 H new ATOM 0 HD2 ARG A 469 -2.466 13.029 3.757 1.00 11.14 H new ATOM 0 HD3 ARG A 469 -3.821 11.977 3.401 1.00 11.14 H new ATOM 0 HE ARG A 469 -4.014 14.569 4.894 1.00 43.12 H new ATOM 0 HH11 ARG A 469 -5.730 11.957 3.280 1.00 2.23 H new ATOM 0 HH12 ARG A 469 -7.106 13.000 2.904 1.00 2.23 H new ATOM 0 HH21 ARG A 469 -5.653 15.836 4.259 1.00 43.24 H new ATOM 0 HH22 ARG A 469 -7.059 15.140 3.447 1.00 43.24 H new ATOM 1438 N MET A 470 -3.393 8.677 7.328 1.00 51.31 N ATOM 1439 CA MET A 470 -4.282 7.496 7.221 1.00 2.13 C ATOM 1440 C MET A 470 -5.461 7.762 6.262 1.00 3.41 C ATOM 1441 O MET A 470 -6.273 8.663 6.481 1.00 12.11 O ATOM 1442 CB MET A 470 -4.810 7.034 8.624 1.00 23.34 C ATOM 1443 CG MET A 470 -4.053 5.835 9.192 1.00 53.23 C ATOM 1444 SD MET A 470 -4.602 5.341 10.837 1.00 45.01 S ATOM 1445 CE MET A 470 -3.431 4.031 11.198 1.00 63.11 C ATOM 0 H MET A 470 -3.590 9.280 8.127 1.00 51.31 H new ATOM 0 HA MET A 470 -3.681 6.686 6.807 1.00 2.13 H new ATOM 0 HB2 MET A 470 -4.736 7.866 9.324 1.00 23.34 H new ATOM 0 HB3 MET A 470 -5.867 6.781 8.541 1.00 23.34 H new ATOM 0 HG2 MET A 470 -4.166 4.990 8.512 1.00 53.23 H new ATOM 0 HG3 MET A 470 -2.990 6.073 9.230 1.00 53.23 H new ATOM 0 HE1 MET A 470 -3.909 3.278 11.825 1.00 63.11 H new ATOM 0 HE2 MET A 470 -3.101 3.571 10.266 1.00 63.11 H new ATOM 0 HE3 MET A 470 -2.571 4.446 11.722 1.00 63.11 H new ATOM 1455 N VAL A 471 -5.506 6.972 5.181 1.00 24.33 N ATOM 1456 CA VAL A 471 -6.686 6.844 4.285 1.00 62.54 C ATOM 1457 C VAL A 471 -7.160 5.363 4.294 1.00 15.44 C ATOM 1458 O VAL A 471 -6.529 4.517 4.942 1.00 45.52 O ATOM 1459 CB VAL A 471 -6.385 7.345 2.815 1.00 40.22 C ATOM 1460 CG1 VAL A 471 -5.946 8.832 2.807 1.00 14.12 C ATOM 1461 CG2 VAL A 471 -5.347 6.448 2.089 1.00 41.10 C ATOM 0 H VAL A 471 -4.718 6.392 4.892 1.00 24.33 H new ATOM 0 HA VAL A 471 -7.481 7.488 4.661 1.00 62.54 H new ATOM 0 HB VAL A 471 -7.318 7.266 2.256 1.00 40.22 H new ATOM 0 HG11 VAL A 471 -5.746 9.147 1.783 1.00 14.12 H new ATOM 0 HG12 VAL A 471 -6.741 9.448 3.228 1.00 14.12 H new ATOM 0 HG13 VAL A 471 -5.042 8.948 3.405 1.00 14.12 H new ATOM 0 HG21 VAL A 471 -5.174 6.832 1.084 1.00 41.10 H new ATOM 0 HG22 VAL A 471 -4.410 6.452 2.646 1.00 41.10 H new ATOM 0 HG23 VAL A 471 -5.727 5.428 2.027 1.00 41.10 H new ATOM 1471 N GLN A 472 -8.272 5.040 3.608 1.00 74.40 N ATOM 1472 CA GLN A 472 -8.814 3.658 3.597 1.00 14.25 C ATOM 1473 C GLN A 472 -9.227 3.228 2.173 1.00 23.00 C ATOM 1474 O GLN A 472 -10.032 3.894 1.524 1.00 14.13 O ATOM 1475 CB GLN A 472 -10.013 3.554 4.572 1.00 33.10 C ATOM 1476 CG GLN A 472 -10.559 2.122 4.756 1.00 75.44 C ATOM 1477 CD GLN A 472 -11.680 2.018 5.793 1.00 11.43 C ATOM 1478 OE1 GLN A 472 -11.732 2.780 6.757 1.00 41.31 O ATOM 1479 NE2 GLN A 472 -12.587 1.076 5.603 1.00 22.42 N ATOM 0 H GLN A 472 -8.813 5.707 3.057 1.00 74.40 H new ATOM 0 HA GLN A 472 -8.029 2.979 3.928 1.00 14.25 H new ATOM 0 HB2 GLN A 472 -9.710 3.943 5.544 1.00 33.10 H new ATOM 0 HB3 GLN A 472 -10.818 4.193 4.209 1.00 33.10 H new ATOM 0 HG2 GLN A 472 -10.928 1.758 3.797 1.00 75.44 H new ATOM 0 HG3 GLN A 472 -9.740 1.466 5.052 1.00 75.44 H new ATOM 0 HE21 GLN A 472 -12.519 0.458 4.794 1.00 22.42 H new ATOM 0 HE22 GLN A 472 -13.355 0.967 6.265 1.00 22.42 H new ATOM 1488 N PHE A 473 -8.669 2.098 1.703 1.00 42.35 N ATOM 1489 CA PHE A 473 -8.926 1.560 0.353 1.00 5.44 C ATOM 1490 C PHE A 473 -10.114 0.570 0.353 1.00 45.41 C ATOM 1491 O PHE A 473 -10.032 -0.523 0.921 1.00 34.21 O ATOM 1492 CB PHE A 473 -7.658 0.862 -0.208 1.00 61.42 C ATOM 1493 CG PHE A 473 -6.543 1.821 -0.629 1.00 31.03 C ATOM 1494 CD1 PHE A 473 -5.840 2.572 0.316 1.00 14.25 C ATOM 1495 CD2 PHE A 473 -6.193 1.963 -1.975 1.00 32.52 C ATOM 1496 CE1 PHE A 473 -4.838 3.438 -0.073 1.00 11.31 C ATOM 1497 CE2 PHE A 473 -5.190 2.830 -2.359 1.00 45.52 C ATOM 1498 CZ PHE A 473 -4.509 3.563 -1.409 1.00 70.12 C ATOM 0 H PHE A 473 -8.024 1.529 2.251 1.00 42.35 H new ATOM 0 HA PHE A 473 -9.185 2.402 -0.289 1.00 5.44 H new ATOM 0 HB2 PHE A 473 -7.268 0.181 0.548 1.00 61.42 H new ATOM 0 HB3 PHE A 473 -7.942 0.255 -1.068 1.00 61.42 H new ATOM 0 HD1 PHE A 473 -6.083 2.474 1.364 1.00 14.25 H new ATOM 0 HD2 PHE A 473 -6.715 1.386 -2.725 1.00 32.52 H new ATOM 0 HE1 PHE A 473 -4.310 4.019 0.669 1.00 11.31 H new ATOM 0 HE2 PHE A 473 -4.938 2.935 -3.404 1.00 45.52 H new ATOM 0 HZ PHE A 473 -3.719 4.235 -1.710 1.00 70.12 H new ATOM 1508 N HIS A 474 -11.225 0.992 -0.267 1.00 15.03 N ATOM 1509 CA HIS A 474 -12.353 0.106 -0.608 1.00 43.25 C ATOM 1510 C HIS A 474 -12.177 -0.386 -2.062 1.00 74.34 C ATOM 1511 O HIS A 474 -12.234 0.406 -3.005 1.00 24.12 O ATOM 1512 CB HIS A 474 -13.704 0.847 -0.431 1.00 31.54 C ATOM 1513 CG HIS A 474 -14.912 0.029 -0.831 1.00 23.24 C ATOM 1514 ND1 HIS A 474 -15.095 -1.246 -0.352 1.00 13.13 N ATOM 1515 CD2 HIS A 474 -15.930 0.325 -1.683 1.00 15.52 C ATOM 1516 CE1 HIS A 474 -16.203 -1.696 -0.909 1.00 62.23 C ATOM 1517 NE2 HIS A 474 -16.745 -0.780 -1.721 1.00 23.22 N ATOM 0 H HIS A 474 -11.370 1.962 -0.548 1.00 15.03 H new ATOM 0 HA HIS A 474 -12.362 -0.752 0.064 1.00 43.25 H new ATOM 0 HB2 HIS A 474 -13.809 1.145 0.612 1.00 31.54 H new ATOM 0 HB3 HIS A 474 -13.685 1.762 -1.023 1.00 31.54 H new ATOM 0 HD2 HIS A 474 -16.070 1.249 -2.224 1.00 15.52 H new ATOM 0 HE1 HIS A 474 -16.619 -2.677 -0.733 1.00 62.23 H new ATOM 0 HE2 HIS A 474 -17.602 -0.883 -2.265 1.00 23.22 H new ATOM 1525 N PHE A 475 -11.976 -1.703 -2.236 1.00 61.12 N ATOM 1526 CA PHE A 475 -11.700 -2.322 -3.561 1.00 23.01 C ATOM 1527 C PHE A 475 -12.987 -2.648 -4.357 1.00 3.20 C ATOM 1528 O PHE A 475 -12.932 -3.410 -5.333 1.00 22.42 O ATOM 1529 CB PHE A 475 -10.827 -3.587 -3.363 1.00 31.32 C ATOM 1530 CG PHE A 475 -9.450 -3.271 -2.788 1.00 30.11 C ATOM 1531 CD1 PHE A 475 -8.454 -2.742 -3.602 1.00 13.24 C ATOM 1532 CD2 PHE A 475 -9.160 -3.470 -1.442 1.00 13.01 C ATOM 1533 CE1 PHE A 475 -7.212 -2.433 -3.092 1.00 42.44 C ATOM 1534 CE2 PHE A 475 -7.916 -3.163 -0.939 1.00 30.14 C ATOM 1535 CZ PHE A 475 -6.946 -2.639 -1.760 1.00 43.44 C ATOM 0 H PHE A 475 -11.998 -2.375 -1.469 1.00 61.12 H new ATOM 0 HA PHE A 475 -11.158 -1.592 -4.163 1.00 23.01 H new ATOM 0 HB2 PHE A 475 -11.343 -4.279 -2.698 1.00 31.32 H new ATOM 0 HB3 PHE A 475 -10.708 -4.094 -4.320 1.00 31.32 H new ATOM 0 HD1 PHE A 475 -8.657 -2.571 -4.649 1.00 13.24 H new ATOM 0 HD2 PHE A 475 -9.919 -3.869 -0.785 1.00 13.01 H new ATOM 0 HE1 PHE A 475 -6.448 -2.029 -3.739 1.00 42.44 H new ATOM 0 HE2 PHE A 475 -7.701 -3.335 0.105 1.00 30.14 H new ATOM 0 HZ PHE A 475 -5.975 -2.389 -1.358 1.00 43.44 H new ATOM 1545 N THR A 476 -14.121 -2.023 -3.944 1.00 3.21 N ATOM 1546 CA THR A 476 -15.470 -2.146 -4.576 1.00 4.53 C ATOM 1547 C THR A 476 -16.023 -3.591 -4.580 1.00 4.22 C ATOM 1548 O THR A 476 -15.268 -4.564 -4.458 1.00 51.24 O ATOM 1549 CB THR A 476 -15.553 -1.512 -6.013 1.00 74.15 C ATOM 1550 OG1 THR A 476 -14.763 -2.241 -6.959 1.00 22.34 O ATOM 1551 CG2 THR A 476 -15.104 -0.040 -6.012 1.00 24.42 C ATOM 0 H THR A 476 -14.126 -1.399 -3.137 1.00 3.21 H new ATOM 0 HA THR A 476 -16.117 -1.556 -3.927 1.00 4.53 H new ATOM 0 HB THR A 476 -16.601 -1.564 -6.309 1.00 74.15 H new ATOM 0 HG1 THR A 476 -14.152 -2.841 -6.482 1.00 22.34 H new ATOM 0 HG21 THR A 476 -15.175 0.363 -7.022 1.00 24.42 H new ATOM 0 HG22 THR A 476 -15.746 0.536 -5.346 1.00 24.42 H new ATOM 0 HG23 THR A 476 -14.072 0.025 -5.667 1.00 24.42 H new ATOM 1559 N ASN A 477 -17.368 -3.716 -4.707 1.00 65.13 N ATOM 1560 CA ASN A 477 -18.087 -5.013 -4.589 1.00 64.13 C ATOM 1561 C ASN A 477 -17.820 -5.673 -3.195 1.00 63.32 C ATOM 1562 O ASN A 477 -17.538 -4.958 -2.227 1.00 32.23 O ATOM 1563 CB ASN A 477 -17.714 -5.941 -5.783 1.00 23.13 C ATOM 1564 CG ASN A 477 -18.102 -5.360 -7.150 1.00 24.41 C ATOM 1565 OD1 ASN A 477 -19.063 -4.599 -7.271 1.00 61.11 O ATOM 1566 ND2 ASN A 477 -17.362 -5.713 -8.186 1.00 71.23 N ATOM 0 H ASN A 477 -17.984 -2.925 -4.893 1.00 65.13 H new ATOM 0 HA ASN A 477 -19.161 -4.838 -4.643 1.00 64.13 H new ATOM 0 HB2 ASN A 477 -16.640 -6.127 -5.767 1.00 23.13 H new ATOM 0 HB3 ASN A 477 -18.207 -6.904 -5.653 1.00 23.13 H new ATOM 0 HD21 ASN A 477 -17.581 -5.354 -9.115 1.00 71.23 H new ATOM 0 HD22 ASN A 477 -16.572 -6.345 -8.057 1.00 71.23 H new ATOM 1573 N LYS A 478 -17.938 -7.019 -3.073 1.00 24.00 N ATOM 1574 CA LYS A 478 -17.654 -7.719 -1.787 1.00 62.03 C ATOM 1575 C LYS A 478 -16.728 -8.954 -1.950 1.00 74.11 C ATOM 1576 O LYS A 478 -15.893 -9.222 -1.079 1.00 65.52 O ATOM 1577 CB LYS A 478 -18.966 -8.110 -1.069 1.00 63.11 C ATOM 1578 CG LYS A 478 -19.894 -9.062 -1.850 1.00 72.44 C ATOM 1579 CD LYS A 478 -21.158 -9.425 -1.045 1.00 63.41 C ATOM 1580 CE LYS A 478 -20.851 -10.260 0.215 1.00 54.11 C ATOM 1581 NZ LYS A 478 -22.083 -10.700 0.913 1.00 24.53 N ATOM 0 H LYS A 478 -18.223 -7.636 -3.834 1.00 24.00 H new ATOM 0 HA LYS A 478 -17.109 -7.006 -1.168 1.00 62.03 H new ATOM 0 HB2 LYS A 478 -18.713 -8.578 -0.117 1.00 63.11 H new ATOM 0 HB3 LYS A 478 -19.519 -7.199 -0.840 1.00 63.11 H new ATOM 0 HG2 LYS A 478 -20.185 -8.594 -2.790 1.00 72.44 H new ATOM 0 HG3 LYS A 478 -19.350 -9.973 -2.102 1.00 72.44 H new ATOM 0 HD2 LYS A 478 -21.670 -8.509 -0.751 1.00 63.41 H new ATOM 0 HD3 LYS A 478 -21.842 -9.982 -1.685 1.00 63.41 H new ATOM 0 HE2 LYS A 478 -20.263 -11.134 -0.066 1.00 54.11 H new ATOM 0 HE3 LYS A 478 -20.240 -9.671 0.899 1.00 54.11 H new ATOM 0 HZ1 LYS A 478 -21.826 -11.257 1.753 1.00 24.53 H new ATOM 0 HZ2 LYS A 478 -22.633 -9.867 1.205 1.00 24.53 H new ATOM 0 HZ3 LYS A 478 -22.656 -11.285 0.271 1.00 24.53 H new ATOM 1595 N ASP A 479 -16.878 -9.713 -3.056 1.00 30.21 N ATOM 1596 CA ASP A 479 -16.119 -10.968 -3.270 1.00 32.11 C ATOM 1597 C ASP A 479 -15.440 -11.006 -4.643 1.00 44.34 C ATOM 1598 O ASP A 479 -16.060 -11.344 -5.658 1.00 11.23 O ATOM 1599 CB ASP A 479 -17.033 -12.203 -3.084 1.00 23.15 C ATOM 1600 CG ASP A 479 -17.414 -12.437 -1.616 1.00 45.21 C ATOM 1601 OD1 ASP A 479 -16.529 -12.832 -0.821 1.00 33.10 O ATOM 1602 OD2 ASP A 479 -18.586 -12.219 -1.249 1.00 33.43 O ATOM 0 H ASP A 479 -17.517 -9.480 -3.816 1.00 30.21 H new ATOM 0 HA ASP A 479 -15.332 -10.997 -2.516 1.00 32.11 H new ATOM 0 HB2 ASP A 479 -17.940 -12.072 -3.675 1.00 23.15 H new ATOM 0 HB3 ASP A 479 -16.526 -13.087 -3.470 1.00 23.15 H new ATOM 1607 N LEU A 480 -14.154 -10.635 -4.656 1.00 3.32 N ATOM 1608 CA LEU A 480 -13.277 -10.777 -5.828 1.00 34.55 C ATOM 1609 C LEU A 480 -12.196 -11.837 -5.520 1.00 50.04 C ATOM 1610 O LEU A 480 -11.769 -11.969 -4.371 1.00 40.14 O ATOM 1611 CB LEU A 480 -12.620 -9.420 -6.228 1.00 51.15 C ATOM 1612 CG LEU A 480 -13.578 -8.210 -6.511 1.00 4.24 C ATOM 1613 CD1 LEU A 480 -14.737 -8.605 -7.442 1.00 43.13 C ATOM 1614 CD2 LEU A 480 -14.084 -7.554 -5.207 1.00 11.32 C ATOM 0 H LEU A 480 -13.688 -10.224 -3.847 1.00 3.32 H new ATOM 0 HA LEU A 480 -13.879 -11.099 -6.677 1.00 34.55 H new ATOM 0 HB2 LEU A 480 -11.936 -9.129 -5.431 1.00 51.15 H new ATOM 0 HB3 LEU A 480 -12.017 -9.588 -7.120 1.00 51.15 H new ATOM 0 HG LEU A 480 -12.990 -7.456 -7.035 1.00 4.24 H new ATOM 0 HD11 LEU A 480 -15.377 -7.740 -7.613 1.00 43.13 H new ATOM 0 HD12 LEU A 480 -14.336 -8.954 -8.394 1.00 43.13 H new ATOM 0 HD13 LEU A 480 -15.320 -9.402 -6.980 1.00 43.13 H new ATOM 0 HD21 LEU A 480 -14.744 -6.721 -5.451 1.00 11.32 H new ATOM 0 HD22 LEU A 480 -14.631 -8.290 -4.618 1.00 11.32 H new ATOM 0 HD23 LEU A 480 -13.235 -7.187 -4.631 1.00 11.32 H new ATOM 1626 N GLU A 481 -11.777 -12.603 -6.545 1.00 21.11 N ATOM 1627 CA GLU A 481 -10.724 -13.641 -6.390 1.00 72.23 C ATOM 1628 C GLU A 481 -9.337 -12.996 -6.150 1.00 3.25 C ATOM 1629 O GLU A 481 -8.498 -13.538 -5.416 1.00 62.31 O ATOM 1630 CB GLU A 481 -10.695 -14.577 -7.626 1.00 73.50 C ATOM 1631 CG GLU A 481 -12.030 -15.291 -7.898 1.00 11.25 C ATOM 1632 CD GLU A 481 -11.956 -16.329 -9.036 1.00 42.02 C ATOM 1633 OE1 GLU A 481 -11.861 -15.927 -10.220 1.00 15.22 O ATOM 1634 OE2 GLU A 481 -12.001 -17.548 -8.754 1.00 74.31 O ATOM 0 H GLU A 481 -12.148 -12.527 -7.492 1.00 21.11 H new ATOM 0 HA GLU A 481 -10.966 -14.242 -5.513 1.00 72.23 H new ATOM 0 HB2 GLU A 481 -10.420 -13.994 -8.505 1.00 73.50 H new ATOM 0 HB3 GLU A 481 -9.916 -15.326 -7.484 1.00 73.50 H new ATOM 0 HG2 GLU A 481 -12.359 -15.788 -6.985 1.00 11.25 H new ATOM 0 HG3 GLU A 481 -12.786 -14.546 -8.146 1.00 11.25 H new ATOM 1641 N SER A 482 -9.123 -11.826 -6.771 1.00 70.52 N ATOM 1642 CA SER A 482 -7.942 -10.972 -6.521 1.00 21.32 C ATOM 1643 C SER A 482 -7.966 -10.370 -5.093 1.00 74.52 C ATOM 1644 O SER A 482 -6.912 -10.172 -4.483 1.00 11.51 O ATOM 1645 CB SER A 482 -7.882 -9.840 -7.572 1.00 72.32 C ATOM 1646 OG SER A 482 -9.129 -9.181 -7.693 1.00 25.04 O ATOM 0 H SER A 482 -9.764 -11.440 -7.464 1.00 70.52 H new ATOM 0 HA SER A 482 -7.052 -11.596 -6.604 1.00 21.32 H new ATOM 0 HB2 SER A 482 -7.114 -9.120 -7.290 1.00 72.32 H new ATOM 0 HB3 SER A 482 -7.592 -10.253 -8.538 1.00 72.32 H new ATOM 0 HG SER A 482 -9.059 -8.470 -8.363 1.00 25.04 H new ATOM 1652 N LEU A 483 -9.180 -10.081 -4.581 1.00 45.33 N ATOM 1653 CA LEU A 483 -9.376 -9.515 -3.225 1.00 74.42 C ATOM 1654 C LEU A 483 -9.095 -10.562 -2.121 1.00 74.22 C ATOM 1655 O LEU A 483 -8.288 -10.307 -1.229 1.00 3.41 O ATOM 1656 CB LEU A 483 -10.815 -8.949 -3.089 1.00 62.13 C ATOM 1657 CG LEU A 483 -11.184 -8.270 -1.735 1.00 64.45 C ATOM 1658 CD1 LEU A 483 -10.270 -7.062 -1.426 1.00 51.30 C ATOM 1659 CD2 LEU A 483 -12.685 -7.886 -1.706 1.00 21.02 C ATOM 0 H LEU A 483 -10.050 -10.232 -5.091 1.00 45.33 H new ATOM 0 HA LEU A 483 -8.660 -8.704 -3.092 1.00 74.42 H new ATOM 0 HB2 LEU A 483 -10.969 -8.221 -3.886 1.00 62.13 H new ATOM 0 HB3 LEU A 483 -11.517 -9.765 -3.261 1.00 62.13 H new ATOM 0 HG LEU A 483 -11.012 -8.996 -0.940 1.00 64.45 H new ATOM 0 HD11 LEU A 483 -10.562 -6.619 -0.474 1.00 51.30 H new ATOM 0 HD12 LEU A 483 -9.234 -7.395 -1.369 1.00 51.30 H new ATOM 0 HD13 LEU A 483 -10.369 -6.319 -2.217 1.00 51.30 H new ATOM 0 HD21 LEU A 483 -12.921 -7.414 -0.753 1.00 21.02 H new ATOM 0 HD22 LEU A 483 -12.899 -7.191 -2.518 1.00 21.02 H new ATOM 0 HD23 LEU A 483 -13.292 -8.783 -1.827 1.00 21.02 H new ATOM 1671 N LYS A 484 -9.754 -11.744 -2.200 1.00 51.51 N ATOM 1672 CA LYS A 484 -9.518 -12.858 -1.236 1.00 30.31 C ATOM 1673 C LYS A 484 -8.080 -13.402 -1.347 1.00 61.03 C ATOM 1674 O LYS A 484 -7.516 -13.886 -0.363 1.00 24.41 O ATOM 1675 CB LYS A 484 -10.557 -13.996 -1.391 1.00 3.33 C ATOM 1676 CG LYS A 484 -10.634 -14.629 -2.791 1.00 61.03 C ATOM 1677 CD LYS A 484 -11.597 -15.836 -2.852 1.00 12.15 C ATOM 1678 CE LYS A 484 -13.034 -15.513 -2.380 1.00 63.43 C ATOM 1679 NZ LYS A 484 -13.661 -14.398 -3.138 1.00 32.51 N ATOM 0 H LYS A 484 -10.450 -11.954 -2.915 1.00 51.51 H new ATOM 0 HA LYS A 484 -9.645 -12.441 -0.237 1.00 30.31 H new ATOM 0 HB2 LYS A 484 -10.325 -14.779 -0.669 1.00 3.33 H new ATOM 0 HB3 LYS A 484 -11.541 -13.605 -1.132 1.00 3.33 H new ATOM 0 HG2 LYS A 484 -10.959 -13.875 -3.508 1.00 61.03 H new ATOM 0 HG3 LYS A 484 -9.638 -14.950 -3.095 1.00 61.03 H new ATOM 0 HD2 LYS A 484 -11.636 -16.206 -3.876 1.00 12.15 H new ATOM 0 HD3 LYS A 484 -11.195 -16.641 -2.237 1.00 12.15 H new ATOM 0 HE2 LYS A 484 -13.652 -16.405 -2.481 1.00 63.43 H new ATOM 0 HE3 LYS A 484 -13.013 -15.257 -1.321 1.00 63.43 H new ATOM 0 HZ1 LYS A 484 -14.621 -14.229 -2.776 1.00 32.51 H new ATOM 0 HZ2 LYS A 484 -13.091 -13.536 -3.023 1.00 32.51 H new ATOM 0 HZ3 LYS A 484 -13.710 -14.648 -4.146 1.00 32.51 H new ATOM 1693 N GLY A 485 -7.501 -13.294 -2.558 1.00 72.44 N ATOM 1694 CA GLY A 485 -6.082 -13.564 -2.770 1.00 64.03 C ATOM 1695 C GLY A 485 -5.177 -12.554 -2.052 1.00 24.34 C ATOM 1696 O GLY A 485 -4.163 -12.933 -1.481 1.00 13.21 O ATOM 0 H GLY A 485 -8.004 -13.020 -3.402 1.00 72.44 H new ATOM 0 HA2 GLY A 485 -5.850 -14.569 -2.417 1.00 64.03 H new ATOM 0 HA3 GLY A 485 -5.867 -13.544 -3.838 1.00 64.03 H new ATOM 1700 N LEU A 486 -5.577 -11.262 -2.072 1.00 52.24 N ATOM 1701 CA LEU A 486 -4.845 -10.167 -1.379 1.00 64.01 C ATOM 1702 C LEU A 486 -4.933 -10.314 0.174 1.00 51.11 C ATOM 1703 O LEU A 486 -3.984 -9.961 0.889 1.00 10.53 O ATOM 1704 CB LEU A 486 -5.380 -8.784 -1.857 1.00 51.43 C ATOM 1705 CG LEU A 486 -4.616 -7.517 -1.345 1.00 61.42 C ATOM 1706 CD1 LEU A 486 -3.141 -7.522 -1.808 1.00 23.23 C ATOM 1707 CD2 LEU A 486 -5.345 -6.216 -1.766 1.00 52.32 C ATOM 0 H LEU A 486 -6.412 -10.946 -2.565 1.00 52.24 H new ATOM 0 HA LEU A 486 -3.789 -10.236 -1.641 1.00 64.01 H new ATOM 0 HB2 LEU A 486 -5.366 -8.772 -2.947 1.00 51.43 H new ATOM 0 HB3 LEU A 486 -6.423 -8.699 -1.551 1.00 51.43 H new ATOM 0 HG LEU A 486 -4.611 -7.550 -0.256 1.00 61.42 H new ATOM 0 HD11 LEU A 486 -2.640 -6.629 -1.435 1.00 23.23 H new ATOM 0 HD12 LEU A 486 -2.640 -8.408 -1.418 1.00 23.23 H new ATOM 0 HD13 LEU A 486 -3.102 -7.532 -2.897 1.00 23.23 H new ATOM 0 HD21 LEU A 486 -4.791 -5.353 -1.396 1.00 52.32 H new ATOM 0 HD22 LEU A 486 -5.407 -6.169 -2.853 1.00 52.32 H new ATOM 0 HD23 LEU A 486 -6.350 -6.210 -1.345 1.00 52.32 H new ATOM 1719 N TYR A 487 -6.072 -10.851 0.682 1.00 74.24 N ATOM 1720 CA TYR A 487 -6.214 -11.259 2.113 1.00 45.33 C ATOM 1721 C TYR A 487 -5.174 -12.352 2.486 1.00 50.53 C ATOM 1722 O TYR A 487 -4.599 -12.325 3.578 1.00 14.31 O ATOM 1723 CB TYR A 487 -7.646 -11.796 2.414 1.00 0.32 C ATOM 1724 CG TYR A 487 -8.754 -10.731 2.504 1.00 4.13 C ATOM 1725 CD1 TYR A 487 -8.887 -9.922 3.628 1.00 52.55 C ATOM 1726 CD2 TYR A 487 -9.686 -10.560 1.484 1.00 5.15 C ATOM 1727 CE1 TYR A 487 -9.897 -8.978 3.715 1.00 25.30 C ATOM 1728 CE2 TYR A 487 -10.691 -9.627 1.570 1.00 73.33 C ATOM 1729 CZ TYR A 487 -10.796 -8.839 2.683 1.00 31.23 C ATOM 1730 OH TYR A 487 -11.808 -7.906 2.765 1.00 62.33 O ATOM 0 H TYR A 487 -6.910 -11.014 0.124 1.00 74.24 H new ATOM 0 HA TYR A 487 -6.036 -10.368 2.716 1.00 45.33 H new ATOM 0 HB2 TYR A 487 -7.917 -12.510 1.637 1.00 0.32 H new ATOM 0 HB3 TYR A 487 -7.618 -12.345 3.355 1.00 0.32 H new ATOM 0 HD1 TYR A 487 -8.191 -10.032 4.447 1.00 52.55 H new ATOM 0 HD2 TYR A 487 -9.617 -11.178 0.601 1.00 5.15 H new ATOM 0 HE1 TYR A 487 -9.979 -8.352 4.591 1.00 25.30 H new ATOM 0 HE2 TYR A 487 -11.397 -9.516 0.760 1.00 73.33 H new ATOM 0 HH TYR A 487 -12.351 -7.940 1.950 1.00 62.33 H new ATOM 1740 N ARG A 488 -4.960 -13.308 1.563 1.00 62.51 N ATOM 1741 CA ARG A 488 -3.972 -14.400 1.735 1.00 2.42 C ATOM 1742 C ARG A 488 -2.520 -13.865 1.731 1.00 32.10 C ATOM 1743 O ARG A 488 -1.709 -14.289 2.550 1.00 22.21 O ATOM 1744 CB ARG A 488 -4.156 -15.473 0.628 1.00 2.34 C ATOM 1745 CG ARG A 488 -5.524 -16.193 0.657 1.00 5.45 C ATOM 1746 CD ARG A 488 -5.762 -16.971 1.964 1.00 13.24 C ATOM 1747 NE ARG A 488 -7.107 -17.582 2.016 1.00 22.34 N ATOM 1748 CZ ARG A 488 -7.363 -18.856 2.235 1.00 10.52 C ATOM 1749 NH1 ARG A 488 -6.405 -19.734 2.316 1.00 64.35 N ATOM 1750 NH2 ARG A 488 -8.592 -19.256 2.320 1.00 32.11 N ATOM 0 H ARG A 488 -5.464 -13.349 0.677 1.00 62.51 H new ATOM 0 HA ARG A 488 -4.152 -14.858 2.708 1.00 2.42 H new ATOM 0 HB2 ARG A 488 -4.029 -14.999 -0.345 1.00 2.34 H new ATOM 0 HB3 ARG A 488 -3.365 -16.217 0.725 1.00 2.34 H new ATOM 0 HG2 ARG A 488 -6.319 -15.458 0.527 1.00 5.45 H new ATOM 0 HG3 ARG A 488 -5.585 -16.881 -0.186 1.00 5.45 H new ATOM 0 HD2 ARG A 488 -5.007 -17.751 2.063 1.00 13.24 H new ATOM 0 HD3 ARG A 488 -5.638 -16.298 2.813 1.00 13.24 H new ATOM 0 HE ARG A 488 -7.906 -16.964 1.870 1.00 22.34 H new ATOM 0 HH11 ARG A 488 -5.434 -19.441 2.209 1.00 64.35 H new ATOM 0 HH12 ARG A 488 -6.626 -20.715 2.486 1.00 64.35 H new ATOM 0 HH21 ARG A 488 -9.355 -18.586 2.218 1.00 32.11 H new ATOM 0 HH22 ARG A 488 -8.797 -20.241 2.489 1.00 32.11 H new ATOM 1764 N ILE A 489 -2.217 -12.921 0.812 1.00 4.02 N ATOM 1765 CA ILE A 489 -0.868 -12.306 0.690 1.00 51.12 C ATOM 1766 C ILE A 489 -0.460 -11.577 1.994 1.00 73.03 C ATOM 1767 O ILE A 489 0.604 -11.832 2.559 1.00 71.20 O ATOM 1768 CB ILE A 489 -0.814 -11.269 -0.493 1.00 42.24 C ATOM 1769 CG1 ILE A 489 -1.182 -11.933 -1.856 1.00 12.12 C ATOM 1770 CG2 ILE A 489 0.573 -10.584 -0.576 1.00 53.10 C ATOM 1771 CD1 ILE A 489 -1.422 -10.942 -2.987 1.00 61.52 C ATOM 0 H ILE A 489 -2.892 -12.563 0.137 1.00 4.02 H new ATOM 0 HA ILE A 489 -0.173 -13.123 0.493 1.00 51.12 H new ATOM 0 HB ILE A 489 -1.560 -10.503 -0.283 1.00 42.24 H new ATOM 0 HG12 ILE A 489 -0.379 -12.611 -2.146 1.00 12.12 H new ATOM 0 HG13 ILE A 489 -2.078 -12.539 -1.722 1.00 12.12 H new ATOM 0 HG21 ILE A 489 0.579 -9.873 -1.403 1.00 53.10 H new ATOM 0 HG22 ILE A 489 0.775 -10.057 0.357 1.00 53.10 H new ATOM 0 HG23 ILE A 489 1.342 -11.339 -0.741 1.00 53.10 H new ATOM 0 HD11 ILE A 489 -1.672 -11.484 -3.899 1.00 61.52 H new ATOM 0 HD12 ILE A 489 -2.245 -10.279 -2.721 1.00 61.52 H new ATOM 0 HD13 ILE A 489 -0.520 -10.352 -3.152 1.00 61.52 H new ATOM 1783 N MET A 490 -1.330 -10.670 2.464 1.00 4.54 N ATOM 1784 CA MET A 490 -1.087 -9.903 3.707 1.00 20.44 C ATOM 1785 C MET A 490 -1.246 -10.799 4.963 1.00 72.03 C ATOM 1786 O MET A 490 -0.678 -10.508 6.025 1.00 11.30 O ATOM 1787 CB MET A 490 -2.008 -8.660 3.745 1.00 60.23 C ATOM 1788 CG MET A 490 -1.700 -7.672 2.613 1.00 22.10 C ATOM 1789 SD MET A 490 -2.529 -6.086 2.792 1.00 1.40 S ATOM 1790 CE MET A 490 -1.707 -5.164 1.498 1.00 21.12 C ATOM 0 H MET A 490 -2.212 -10.445 2.004 1.00 4.54 H new ATOM 0 HA MET A 490 -0.055 -9.553 3.713 1.00 20.44 H new ATOM 0 HB2 MET A 490 -3.048 -8.979 3.673 1.00 60.23 H new ATOM 0 HB3 MET A 490 -1.895 -8.156 4.705 1.00 60.23 H new ATOM 0 HG2 MET A 490 -0.623 -7.506 2.570 1.00 22.10 H new ATOM 0 HG3 MET A 490 -1.992 -8.119 1.663 1.00 22.10 H new ATOM 0 HE1 MET A 490 -1.715 -4.103 1.746 1.00 21.12 H new ATOM 0 HE2 MET A 490 -0.677 -5.507 1.405 1.00 21.12 H new ATOM 0 HE3 MET A 490 -2.228 -5.319 0.553 1.00 21.12 H new ATOM 1800 N GLY A 491 -1.996 -11.907 4.803 1.00 32.40 N ATOM 1801 CA GLY A 491 -2.073 -12.974 5.813 1.00 44.11 C ATOM 1802 C GLY A 491 -0.759 -13.760 5.963 1.00 63.34 C ATOM 1803 O GLY A 491 -0.465 -14.299 7.038 1.00 60.41 O ATOM 0 H GLY A 491 -2.562 -12.085 3.973 1.00 32.40 H new ATOM 0 HA2 GLY A 491 -2.339 -12.537 6.775 1.00 44.11 H new ATOM 0 HA3 GLY A 491 -2.873 -13.664 5.544 1.00 44.11 H new ATOM 1807 N ASN A 492 0.030 -13.838 4.868 1.00 20.13 N ATOM 1808 CA ASN A 492 1.401 -14.425 4.881 1.00 31.21 C ATOM 1809 C ASN A 492 2.419 -13.494 5.598 1.00 75.33 C ATOM 1810 O ASN A 492 3.534 -13.920 5.927 1.00 42.22 O ATOM 1811 CB ASN A 492 1.893 -14.695 3.429 1.00 24.34 C ATOM 1812 CG ASN A 492 1.012 -15.660 2.631 1.00 60.14 C ATOM 1813 OD1 ASN A 492 0.421 -16.588 3.171 1.00 62.11 O ATOM 1814 ND2 ASN A 492 0.915 -15.447 1.328 1.00 73.14 N ATOM 0 H ASN A 492 -0.259 -13.499 3.950 1.00 20.13 H new ATOM 0 HA ASN A 492 1.342 -15.364 5.432 1.00 31.21 H new ATOM 0 HB2 ASN A 492 1.948 -13.746 2.895 1.00 24.34 H new ATOM 0 HB3 ASN A 492 2.905 -15.097 3.470 1.00 24.34 H new ATOM 0 HD21 ASN A 492 0.339 -16.062 0.752 1.00 73.14 H new ATOM 0 HD22 ASN A 492 1.416 -14.668 0.900 1.00 73.14 H new ATOM 1821 N GLY A 493 2.025 -12.223 5.819 1.00 31.04 N ATOM 1822 CA GLY A 493 2.897 -11.214 6.436 1.00 3.51 C ATOM 1823 C GLY A 493 3.558 -10.314 5.391 1.00 52.44 C ATOM 1824 O GLY A 493 4.787 -10.288 5.257 1.00 41.11 O ATOM 0 H GLY A 493 1.098 -11.873 5.575 1.00 31.04 H new ATOM 0 HA2 GLY A 493 2.314 -10.603 7.125 1.00 3.51 H new ATOM 0 HA3 GLY A 493 3.667 -11.712 7.026 1.00 3.51 H new ATOM 1828 N PHE A 494 2.727 -9.596 4.613 1.00 11.05 N ATOM 1829 CA PHE A 494 3.202 -8.648 3.573 1.00 63.11 C ATOM 1830 C PHE A 494 2.440 -7.309 3.645 1.00 14.43 C ATOM 1831 O PHE A 494 1.364 -7.206 4.243 1.00 55.42 O ATOM 1832 CB PHE A 494 3.056 -9.259 2.145 1.00 44.30 C ATOM 1833 CG PHE A 494 4.041 -10.388 1.819 1.00 75.12 C ATOM 1834 CD1 PHE A 494 5.302 -10.102 1.302 1.00 12.12 C ATOM 1835 CD2 PHE A 494 3.710 -11.727 2.025 1.00 23.33 C ATOM 1836 CE1 PHE A 494 6.199 -11.112 1.005 1.00 45.33 C ATOM 1837 CE2 PHE A 494 4.606 -12.738 1.729 1.00 4.51 C ATOM 1838 CZ PHE A 494 5.850 -12.430 1.217 1.00 43.22 C ATOM 0 H PHE A 494 1.711 -9.652 4.682 1.00 11.05 H new ATOM 0 HA PHE A 494 4.258 -8.460 3.769 1.00 63.11 H new ATOM 0 HB2 PHE A 494 2.041 -9.639 2.031 1.00 44.30 H new ATOM 0 HB3 PHE A 494 3.183 -8.463 1.411 1.00 44.30 H new ATOM 0 HD1 PHE A 494 5.584 -9.074 1.130 1.00 12.12 H new ATOM 0 HD2 PHE A 494 2.738 -11.979 2.422 1.00 23.33 H new ATOM 0 HE1 PHE A 494 7.173 -10.869 0.607 1.00 45.33 H new ATOM 0 HE2 PHE A 494 4.332 -13.769 1.899 1.00 4.51 H new ATOM 0 HZ PHE A 494 6.549 -13.219 0.983 1.00 43.22 H new ATOM 1848 N ALA A 495 3.032 -6.298 3.006 1.00 42.13 N ATOM 1849 CA ALA A 495 2.459 -4.950 2.859 1.00 32.23 C ATOM 1850 C ALA A 495 2.569 -4.503 1.387 1.00 2.03 C ATOM 1851 O ALA A 495 3.416 -5.007 0.632 1.00 2.33 O ATOM 1852 CB ALA A 495 3.194 -3.974 3.776 1.00 3.23 C ATOM 0 H ALA A 495 3.946 -6.392 2.564 1.00 42.13 H new ATOM 0 HA ALA A 495 1.407 -4.965 3.143 1.00 32.23 H new ATOM 0 HB1 ALA A 495 2.767 -2.978 3.664 1.00 3.23 H new ATOM 0 HB2 ALA A 495 3.090 -4.299 4.811 1.00 3.23 H new ATOM 0 HB3 ALA A 495 4.250 -3.948 3.508 1.00 3.23 H new ATOM 1858 N GLY A 496 1.722 -3.550 0.995 1.00 31.11 N ATOM 1859 CA GLY A 496 1.663 -3.066 -0.386 1.00 31.25 C ATOM 1860 C GLY A 496 2.314 -1.694 -0.568 1.00 74.34 C ATOM 1861 O GLY A 496 1.721 -0.680 -0.215 1.00 12.25 O ATOM 0 H GLY A 496 1.060 -3.093 1.622 1.00 31.11 H new ATOM 0 HA2 GLY A 496 2.157 -3.786 -1.039 1.00 31.25 H new ATOM 0 HA3 GLY A 496 0.621 -3.012 -0.702 1.00 31.25 H new ATOM 1865 N CYS A 497 3.546 -1.653 -1.116 1.00 31.31 N ATOM 1866 CA CYS A 497 4.251 -0.375 -1.394 1.00 2.31 C ATOM 1867 C CYS A 497 3.702 0.269 -2.690 1.00 45.25 C ATOM 1868 O CYS A 497 4.129 -0.071 -3.801 1.00 52.11 O ATOM 1869 CB CYS A 497 5.781 -0.600 -1.483 1.00 72.12 C ATOM 1870 SG CYS A 497 6.760 0.921 -1.435 1.00 33.31 S ATOM 0 H CYS A 497 4.076 -2.485 -1.376 1.00 31.31 H new ATOM 0 HA CYS A 497 4.066 0.312 -0.569 1.00 2.31 H new ATOM 0 HB2 CYS A 497 6.090 -1.244 -0.660 1.00 72.12 H new ATOM 0 HB3 CYS A 497 6.005 -1.134 -2.407 1.00 72.12 H new ATOM 0 HG CYS A 497 6.749 1.481 -2.608 1.00 33.31 H new ATOM 1876 N VAL A 498 2.724 1.175 -2.527 1.00 61.12 N ATOM 1877 CA VAL A 498 1.987 1.796 -3.642 1.00 5.54 C ATOM 1878 C VAL A 498 2.721 3.052 -4.171 1.00 25.03 C ATOM 1879 O VAL A 498 2.720 4.108 -3.527 1.00 34.55 O ATOM 1880 CB VAL A 498 0.527 2.164 -3.184 1.00 23.02 C ATOM 1881 CG1 VAL A 498 -0.285 2.826 -4.321 1.00 52.21 C ATOM 1882 CG2 VAL A 498 -0.211 0.926 -2.601 1.00 41.51 C ATOM 0 H VAL A 498 2.419 1.501 -1.610 1.00 61.12 H new ATOM 0 HA VAL A 498 1.933 1.075 -4.458 1.00 5.54 H new ATOM 0 HB VAL A 498 0.615 2.901 -2.386 1.00 23.02 H new ATOM 0 HG11 VAL A 498 -1.286 3.064 -3.962 1.00 52.21 H new ATOM 0 HG12 VAL A 498 0.214 3.742 -4.639 1.00 52.21 H new ATOM 0 HG13 VAL A 498 -0.355 2.140 -5.165 1.00 52.21 H new ATOM 0 HG21 VAL A 498 -1.217 1.213 -2.294 1.00 41.51 H new ATOM 0 HG22 VAL A 498 -0.272 0.147 -3.361 1.00 41.51 H new ATOM 0 HG23 VAL A 498 0.338 0.548 -1.738 1.00 41.51 H new ATOM 1892 N HIS A 499 3.366 2.907 -5.337 1.00 20.12 N ATOM 1893 CA HIS A 499 4.072 4.011 -6.022 1.00 52.25 C ATOM 1894 C HIS A 499 3.211 4.612 -7.160 1.00 24.51 C ATOM 1895 O HIS A 499 2.443 3.909 -7.833 1.00 44.02 O ATOM 1896 CB HIS A 499 5.423 3.523 -6.596 1.00 13.44 C ATOM 1897 CG HIS A 499 6.396 3.024 -5.554 1.00 52.03 C ATOM 1898 ND1 HIS A 499 7.259 3.880 -4.909 1.00 52.14 N ATOM 1899 CD2 HIS A 499 6.599 1.768 -5.088 1.00 74.51 C ATOM 1900 CE1 HIS A 499 7.957 3.134 -4.076 1.00 52.04 C ATOM 1901 NE2 HIS A 499 7.594 1.847 -4.148 1.00 70.21 N ATOM 0 H HIS A 499 3.416 2.020 -5.837 1.00 20.12 H new ATOM 0 HA HIS A 499 4.257 4.788 -5.281 1.00 52.25 H new ATOM 0 HB2 HIS A 499 5.233 2.723 -7.312 1.00 13.44 H new ATOM 0 HB3 HIS A 499 5.887 4.341 -7.148 1.00 13.44 H new ATOM 0 HD2 HIS A 499 6.077 0.875 -5.398 1.00 74.51 H new ATOM 0 HE1 HIS A 499 8.725 3.513 -3.418 1.00 52.04 H new ATOM 0 HE2 HIS A 499 7.983 1.074 -3.608 1.00 70.21 H new ATOM 1909 N PHE A 500 3.370 5.929 -7.354 1.00 51.11 N ATOM 1910 CA PHE A 500 2.688 6.714 -8.405 1.00 71.10 C ATOM 1911 C PHE A 500 3.673 6.956 -9.592 1.00 61.01 C ATOM 1912 O PHE A 500 4.873 7.150 -9.359 1.00 71.44 O ATOM 1913 CB PHE A 500 2.199 8.074 -7.806 1.00 32.23 C ATOM 1914 CG PHE A 500 1.076 7.985 -6.750 1.00 1.22 C ATOM 1915 CD1 PHE A 500 1.181 7.157 -5.626 1.00 75.01 C ATOM 1916 CD2 PHE A 500 -0.084 8.753 -6.877 1.00 4.23 C ATOM 1917 CE1 PHE A 500 0.170 7.091 -4.684 1.00 1.41 C ATOM 1918 CE2 PHE A 500 -1.093 8.688 -5.933 1.00 65.41 C ATOM 1919 CZ PHE A 500 -0.968 7.858 -4.840 1.00 32.23 C ATOM 0 H PHE A 500 3.989 6.495 -6.774 1.00 51.11 H new ATOM 0 HA PHE A 500 1.822 6.166 -8.776 1.00 71.10 H new ATOM 0 HB2 PHE A 500 3.054 8.578 -7.356 1.00 32.23 H new ATOM 0 HB3 PHE A 500 1.852 8.705 -8.624 1.00 32.23 H new ATOM 0 HD1 PHE A 500 2.069 6.558 -5.492 1.00 75.01 H new ATOM 0 HD2 PHE A 500 -0.195 9.409 -7.728 1.00 4.23 H new ATOM 0 HE1 PHE A 500 0.270 6.441 -3.828 1.00 1.41 H new ATOM 0 HE2 PHE A 500 -1.982 9.290 -6.053 1.00 65.41 H new ATOM 0 HZ PHE A 500 -1.759 7.807 -4.106 1.00 32.23 H new ATOM 1929 N PRO A 501 3.192 6.940 -10.884 1.00 0.45 N ATOM 1930 CA PRO A 501 4.072 7.148 -12.078 1.00 71.42 C ATOM 1931 C PRO A 501 4.781 8.537 -12.088 1.00 30.20 C ATOM 1932 O PRO A 501 5.948 8.649 -12.490 1.00 21.21 O ATOM 1933 CB PRO A 501 3.098 6.982 -13.285 1.00 51.31 C ATOM 1934 CG PRO A 501 1.731 7.218 -12.710 1.00 61.53 C ATOM 1935 CD PRO A 501 1.783 6.690 -11.291 1.00 14.22 C ATOM 0 HA PRO A 501 4.902 6.441 -12.097 1.00 71.42 H new ATOM 0 HB2 PRO A 501 3.323 7.697 -14.076 1.00 51.31 H new ATOM 0 HB3 PRO A 501 3.177 5.987 -13.723 1.00 51.31 H new ATOM 0 HG2 PRO A 501 1.479 8.278 -12.724 1.00 61.53 H new ATOM 0 HG3 PRO A 501 0.968 6.701 -13.292 1.00 61.53 H new ATOM 0 HD2 PRO A 501 1.079 7.210 -10.642 1.00 14.22 H new ATOM 0 HD3 PRO A 501 1.534 5.630 -11.247 1.00 14.22 H new ATOM 2024 N VAL A 508 1.681 13.337 -3.312 1.00 50.22 N ATOM 2025 CA VAL A 508 1.714 11.908 -2.968 1.00 30.32 C ATOM 2026 C VAL A 508 2.374 11.081 -4.094 1.00 51.22 C ATOM 2027 O VAL A 508 1.747 10.772 -5.108 1.00 14.31 O ATOM 2028 CB VAL A 508 0.266 11.375 -2.680 1.00 42.42 C ATOM 2029 CG1 VAL A 508 0.285 9.909 -2.174 1.00 65.34 C ATOM 2030 CG2 VAL A 508 -0.481 12.314 -1.693 1.00 60.20 C ATOM 0 HA VAL A 508 2.314 11.795 -2.065 1.00 30.32 H new ATOM 0 HB VAL A 508 -0.283 11.377 -3.621 1.00 42.42 H new ATOM 0 HG11 VAL A 508 -0.736 9.576 -1.986 1.00 65.34 H new ATOM 0 HG12 VAL A 508 0.742 9.269 -2.929 1.00 65.34 H new ATOM 0 HG13 VAL A 508 0.862 9.850 -1.251 1.00 65.34 H new ATOM 0 HG21 VAL A 508 -1.482 11.925 -1.508 1.00 60.20 H new ATOM 0 HG22 VAL A 508 0.068 12.365 -0.753 1.00 60.20 H new ATOM 0 HG23 VAL A 508 -0.554 13.312 -2.125 1.00 60.20 H new ATOM 2040 N ARG A 509 3.672 10.799 -3.924 1.00 3.12 N ATOM 2041 CA ARG A 509 4.435 9.910 -4.830 1.00 12.23 C ATOM 2042 C ARG A 509 4.333 8.436 -4.348 1.00 74.02 C ATOM 2043 O ARG A 509 4.374 7.507 -5.157 1.00 70.14 O ATOM 2044 CB ARG A 509 5.927 10.384 -4.912 1.00 14.14 C ATOM 2045 CG ARG A 509 6.729 9.899 -6.157 1.00 13.31 C ATOM 2046 CD ARG A 509 7.204 8.434 -6.105 1.00 42.44 C ATOM 2047 NE ARG A 509 7.734 7.984 -7.400 1.00 4.25 N ATOM 2048 CZ ARG A 509 8.093 6.755 -7.691 1.00 60.02 C ATOM 2049 NH1 ARG A 509 8.026 5.798 -6.821 1.00 74.32 N ATOM 2050 NH2 ARG A 509 8.519 6.487 -8.873 1.00 24.34 N ATOM 0 H ARG A 509 4.229 11.177 -3.157 1.00 3.12 H new ATOM 0 HA ARG A 509 4.008 9.963 -5.831 1.00 12.23 H new ATOM 0 HB2 ARG A 509 5.943 11.474 -4.896 1.00 14.14 H new ATOM 0 HB3 ARG A 509 6.445 10.044 -4.015 1.00 14.14 H new ATOM 0 HG2 ARG A 509 6.108 10.031 -7.043 1.00 13.31 H new ATOM 0 HG3 ARG A 509 7.600 10.542 -6.280 1.00 13.31 H new ATOM 0 HD2 ARG A 509 7.974 8.329 -5.341 1.00 42.44 H new ATOM 0 HD3 ARG A 509 6.373 7.793 -5.810 1.00 42.44 H new ATOM 0 HE ARG A 509 7.831 8.685 -8.134 1.00 4.25 H new ATOM 0 HH11 ARG A 509 7.687 5.989 -5.878 1.00 74.32 H new ATOM 0 HH12 ARG A 509 8.313 4.854 -7.079 1.00 74.32 H new ATOM 0 HH21 ARG A 509 8.576 7.225 -9.574 1.00 24.34 H new ATOM 0 HH22 ARG A 509 8.801 5.536 -9.110 1.00 24.34 H new ATOM 2064 N VAL A 510 4.187 8.233 -3.027 1.00 24.34 N ATOM 2065 CA VAL A 510 4.180 6.883 -2.415 1.00 64.14 C ATOM 2066 C VAL A 510 3.274 6.831 -1.160 1.00 42.30 C ATOM 2067 O VAL A 510 3.065 7.849 -0.487 1.00 64.44 O ATOM 2068 CB VAL A 510 5.654 6.427 -2.060 1.00 33.31 C ATOM 2069 CG1 VAL A 510 6.312 7.362 -1.009 1.00 31.12 C ATOM 2070 CG2 VAL A 510 5.716 4.929 -1.637 1.00 65.24 C ATOM 0 H VAL A 510 4.071 8.991 -2.354 1.00 24.34 H new ATOM 0 HA VAL A 510 3.767 6.189 -3.147 1.00 64.14 H new ATOM 0 HB VAL A 510 6.243 6.517 -2.973 1.00 33.31 H new ATOM 0 HG11 VAL A 510 7.322 7.014 -0.794 1.00 31.12 H new ATOM 0 HG12 VAL A 510 6.354 8.378 -1.402 1.00 31.12 H new ATOM 0 HG13 VAL A 510 5.722 7.352 -0.093 1.00 31.12 H new ATOM 0 HG21 VAL A 510 6.746 4.659 -1.403 1.00 65.24 H new ATOM 0 HG22 VAL A 510 5.091 4.773 -0.758 1.00 65.24 H new ATOM 0 HG23 VAL A 510 5.355 4.305 -2.454 1.00 65.24 H new ATOM 2080 N LEU A 511 2.700 5.637 -0.905 1.00 44.24 N ATOM 2081 CA LEU A 511 1.965 5.305 0.335 1.00 1.21 C ATOM 2082 C LEU A 511 2.064 3.785 0.623 1.00 34.30 C ATOM 2083 O LEU A 511 2.480 3.010 -0.246 1.00 71.43 O ATOM 2084 CB LEU A 511 0.483 5.796 0.249 1.00 22.43 C ATOM 2085 CG LEU A 511 -0.470 5.104 -0.801 1.00 61.45 C ATOM 2086 CD1 LEU A 511 -1.162 3.842 -0.232 1.00 51.33 C ATOM 2087 CD2 LEU A 511 -1.519 6.094 -1.365 1.00 23.40 C ATOM 0 H LEU A 511 2.735 4.862 -1.567 1.00 44.24 H new ATOM 0 HA LEU A 511 2.424 5.829 1.174 1.00 1.21 H new ATOM 0 HB2 LEU A 511 0.035 5.677 1.235 1.00 22.43 H new ATOM 0 HB3 LEU A 511 0.498 6.864 0.032 1.00 22.43 H new ATOM 0 HG LEU A 511 0.169 4.782 -1.623 1.00 61.45 H new ATOM 0 HD11 LEU A 511 -1.806 3.405 -0.995 1.00 51.33 H new ATOM 0 HD12 LEU A 511 -0.406 3.115 0.065 1.00 51.33 H new ATOM 0 HD13 LEU A 511 -1.762 4.116 0.636 1.00 51.33 H new ATOM 0 HD21 LEU A 511 -2.156 5.579 -2.084 1.00 23.40 H new ATOM 0 HD22 LEU A 511 -2.131 6.479 -0.549 1.00 23.40 H new ATOM 0 HD23 LEU A 511 -1.010 6.922 -1.859 1.00 23.40 H new ATOM 2099 N MET A 512 1.681 3.351 1.841 1.00 62.43 N ATOM 2100 CA MET A 512 1.677 1.915 2.215 1.00 1.33 C ATOM 2101 C MET A 512 0.262 1.394 2.498 1.00 62.10 C ATOM 2102 O MET A 512 -0.429 1.889 3.388 1.00 12.43 O ATOM 2103 CB MET A 512 2.566 1.650 3.444 1.00 24.42 C ATOM 2104 CG MET A 512 4.039 1.918 3.194 1.00 73.01 C ATOM 2105 SD MET A 512 4.699 1.047 1.754 1.00 73.11 S ATOM 2106 CE MET A 512 4.498 -0.662 2.249 1.00 61.44 C ATOM 0 H MET A 512 1.369 3.973 2.587 1.00 62.43 H new ATOM 0 HA MET A 512 2.080 1.379 1.356 1.00 1.33 H new ATOM 0 HB2 MET A 512 2.226 2.275 4.270 1.00 24.42 H new ATOM 0 HB3 MET A 512 2.441 0.613 3.756 1.00 24.42 H new ATOM 0 HG2 MET A 512 4.187 2.989 3.059 1.00 73.01 H new ATOM 0 HG3 MET A 512 4.608 1.626 4.077 1.00 73.01 H new ATOM 0 HE1 MET A 512 4.830 -1.316 1.443 1.00 61.44 H new ATOM 0 HE2 MET A 512 5.094 -0.855 3.141 1.00 61.44 H new ATOM 0 HE3 MET A 512 3.448 -0.857 2.465 1.00 61.44 H new ATOM 2116 N LEU A 513 -0.122 0.365 1.752 1.00 34.43 N ATOM 2117 CA LEU A 513 -1.377 -0.368 1.961 1.00 62.52 C ATOM 2118 C LEU A 513 -1.159 -1.424 3.069 1.00 61.13 C ATOM 2119 O LEU A 513 -0.355 -2.352 2.904 1.00 70.33 O ATOM 2120 CB LEU A 513 -1.829 -1.040 0.637 1.00 74.21 C ATOM 2121 CG LEU A 513 -3.213 -1.768 0.681 1.00 2.11 C ATOM 2122 CD1 LEU A 513 -4.367 -0.774 0.898 1.00 42.31 C ATOM 2123 CD2 LEU A 513 -3.441 -2.627 -0.580 1.00 21.31 C ATOM 0 H LEU A 513 0.432 0.007 0.974 1.00 34.43 H new ATOM 0 HA LEU A 513 -2.163 0.320 2.272 1.00 62.52 H new ATOM 0 HB2 LEU A 513 -1.865 -0.278 -0.141 1.00 74.21 H new ATOM 0 HB3 LEU A 513 -1.069 -1.763 0.340 1.00 74.21 H new ATOM 0 HG LEU A 513 -3.197 -2.442 1.537 1.00 2.11 H new ATOM 0 HD11 LEU A 513 -5.313 -1.315 0.923 1.00 42.31 H new ATOM 0 HD12 LEU A 513 -4.223 -0.250 1.843 1.00 42.31 H new ATOM 0 HD13 LEU A 513 -4.384 -0.052 0.082 1.00 42.31 H new ATOM 0 HD21 LEU A 513 -4.412 -3.118 -0.515 1.00 21.31 H new ATOM 0 HD22 LEU A 513 -3.415 -1.990 -1.464 1.00 21.31 H new ATOM 0 HD23 LEU A 513 -2.657 -3.381 -0.653 1.00 21.31 H new ATOM 2135 N LEU A 514 -1.867 -1.268 4.199 1.00 13.14 N ATOM 2136 CA LEU A 514 -1.720 -2.130 5.393 1.00 41.33 C ATOM 2137 C LEU A 514 -3.088 -2.663 5.850 1.00 50.24 C ATOM 2138 O LEU A 514 -3.902 -1.912 6.398 1.00 54.22 O ATOM 2139 CB LEU A 514 -1.042 -1.327 6.545 1.00 74.11 C ATOM 2140 CG LEU A 514 0.478 -1.037 6.354 1.00 72.41 C ATOM 2141 CD1 LEU A 514 1.041 -0.129 7.463 1.00 74.12 C ATOM 2142 CD2 LEU A 514 1.284 -2.346 6.258 1.00 35.21 C ATOM 0 H LEU A 514 -2.566 -0.534 4.315 1.00 13.14 H new ATOM 0 HA LEU A 514 -1.091 -2.982 5.133 1.00 41.33 H new ATOM 0 HB2 LEU A 514 -1.564 -0.377 6.659 1.00 74.11 H new ATOM 0 HB3 LEU A 514 -1.175 -1.878 7.476 1.00 74.11 H new ATOM 0 HG LEU A 514 0.582 -0.498 5.412 1.00 72.41 H new ATOM 0 HD11 LEU A 514 2.103 0.045 7.287 1.00 74.12 H new ATOM 0 HD12 LEU A 514 0.512 0.824 7.457 1.00 74.12 H new ATOM 0 HD13 LEU A 514 0.908 -0.612 8.431 1.00 74.12 H new ATOM 0 HD21 LEU A 514 2.341 -2.114 6.125 1.00 35.21 H new ATOM 0 HD22 LEU A 514 1.152 -2.923 7.173 1.00 35.21 H new ATOM 0 HD23 LEU A 514 0.931 -2.929 5.407 1.00 35.21 H new ATOM 2154 N TYR A 515 -3.335 -3.959 5.617 1.00 10.42 N ATOM 2155 CA TYR A 515 -4.556 -4.628 6.089 1.00 1.43 C ATOM 2156 C TYR A 515 -4.513 -4.836 7.623 1.00 35.04 C ATOM 2157 O TYR A 515 -3.702 -5.615 8.138 1.00 21.43 O ATOM 2158 CB TYR A 515 -4.763 -5.984 5.370 1.00 50.30 C ATOM 2159 CG TYR A 515 -6.017 -6.737 5.839 1.00 3.12 C ATOM 2160 CD1 TYR A 515 -7.273 -6.124 5.799 1.00 62.33 C ATOM 2161 CD2 TYR A 515 -5.945 -8.044 6.336 1.00 72.34 C ATOM 2162 CE1 TYR A 515 -8.401 -6.789 6.229 1.00 24.15 C ATOM 2163 CE2 TYR A 515 -7.077 -8.705 6.769 1.00 44.32 C ATOM 2164 CZ TYR A 515 -8.298 -8.074 6.714 1.00 72.03 C ATOM 2165 OH TYR A 515 -9.432 -8.736 7.117 1.00 31.11 O ATOM 0 H TYR A 515 -2.701 -4.569 5.101 1.00 10.42 H new ATOM 0 HA TYR A 515 -5.400 -3.982 5.850 1.00 1.43 H new ATOM 0 HB2 TYR A 515 -4.833 -5.811 4.296 1.00 50.30 H new ATOM 0 HB3 TYR A 515 -3.888 -6.612 5.536 1.00 50.30 H new ATOM 0 HD1 TYR A 515 -7.361 -5.114 5.426 1.00 62.33 H new ATOM 0 HD2 TYR A 515 -4.988 -8.543 6.381 1.00 72.34 H new ATOM 0 HE1 TYR A 515 -9.365 -6.303 6.186 1.00 24.15 H new ATOM 0 HE2 TYR A 515 -7.004 -9.713 7.149 1.00 44.32 H new ATOM 0 HH TYR A 515 -9.825 -9.206 6.352 1.00 31.11 H new ATOM 2175 N SER A 516 -5.385 -4.106 8.332 1.00 14.20 N ATOM 2176 CA SER A 516 -5.622 -4.286 9.770 1.00 41.23 C ATOM 2177 C SER A 516 -6.396 -5.589 10.029 1.00 75.41 C ATOM 2178 O SER A 516 -7.571 -5.703 9.664 1.00 75.35 O ATOM 2179 CB SER A 516 -6.406 -3.081 10.320 1.00 22.52 C ATOM 2180 OG SER A 516 -5.645 -1.893 10.188 1.00 72.31 O ATOM 0 H SER A 516 -5.952 -3.366 7.918 1.00 14.20 H new ATOM 0 HA SER A 516 -4.662 -4.351 10.281 1.00 41.23 H new ATOM 0 HB2 SER A 516 -7.349 -2.977 9.783 1.00 22.52 H new ATOM 0 HB3 SER A 516 -6.652 -3.248 11.369 1.00 22.52 H new ATOM 0 HG SER A 516 -5.228 -1.674 11.048 1.00 72.31 H new ATOM 2186 N SER A 517 -5.716 -6.564 10.646 1.00 65.43 N ATOM 2187 CA SER A 517 -6.304 -7.877 11.003 1.00 41.12 C ATOM 2188 C SER A 517 -7.392 -7.757 12.106 1.00 34.13 C ATOM 2189 O SER A 517 -8.247 -8.634 12.236 1.00 60.03 O ATOM 2190 CB SER A 517 -5.187 -8.833 11.472 1.00 41.14 C ATOM 2191 OG SER A 517 -4.518 -8.327 12.622 1.00 62.41 O ATOM 0 H SER A 517 -4.737 -6.471 10.916 1.00 65.43 H new ATOM 0 HA SER A 517 -6.789 -8.273 10.111 1.00 41.12 H new ATOM 0 HB2 SER A 517 -5.614 -9.810 11.698 1.00 41.14 H new ATOM 0 HB3 SER A 517 -4.468 -8.978 10.666 1.00 41.14 H new ATOM 0 HG SER A 517 -3.818 -8.955 12.896 1.00 62.41 H new ATOM 2197 N LYS A 518 -7.323 -6.677 12.913 1.00 1.31 N ATOM 2198 CA LYS A 518 -8.325 -6.385 13.965 1.00 0.11 C ATOM 2199 C LYS A 518 -9.614 -5.783 13.349 1.00 41.14 C ATOM 2200 O LYS A 518 -10.669 -6.426 13.334 1.00 12.11 O ATOM 2201 CB LYS A 518 -7.727 -5.415 15.021 1.00 41.41 C ATOM 2202 CG LYS A 518 -6.436 -5.918 15.706 1.00 71.53 C ATOM 2203 CD LYS A 518 -5.892 -4.909 16.746 1.00 24.11 C ATOM 2204 CE LYS A 518 -4.587 -5.381 17.412 1.00 14.41 C ATOM 2205 NZ LYS A 518 -3.481 -5.536 16.429 1.00 71.23 N ATOM 0 H LYS A 518 -6.576 -5.985 12.856 1.00 1.31 H new ATOM 0 HA LYS A 518 -8.589 -7.322 14.456 1.00 0.11 H new ATOM 0 HB2 LYS A 518 -7.517 -4.460 14.539 1.00 41.41 H new ATOM 0 HB3 LYS A 518 -8.479 -5.227 15.788 1.00 41.41 H new ATOM 0 HG2 LYS A 518 -6.635 -6.871 16.197 1.00 71.53 H new ATOM 0 HG3 LYS A 518 -5.674 -6.103 14.949 1.00 71.53 H new ATOM 0 HD2 LYS A 518 -5.719 -3.950 16.258 1.00 24.11 H new ATOM 0 HD3 LYS A 518 -6.647 -4.744 17.514 1.00 24.11 H new ATOM 0 HE2 LYS A 518 -4.292 -4.665 18.179 1.00 14.41 H new ATOM 0 HE3 LYS A 518 -4.761 -6.332 17.915 1.00 14.41 H new ATOM 0 HZ1 LYS A 518 -2.591 -5.723 16.934 1.00 71.23 H new ATOM 0 HZ2 LYS A 518 -3.691 -6.331 15.793 1.00 71.23 H new ATOM 0 HZ3 LYS A 518 -3.386 -4.663 15.872 1.00 71.23 H new ATOM 2219 N LYS A 519 -9.497 -4.547 12.809 1.00 73.45 N ATOM 2220 CA LYS A 519 -10.649 -3.789 12.247 1.00 40.33 C ATOM 2221 C LYS A 519 -11.175 -4.375 10.911 1.00 43.24 C ATOM 2222 O LYS A 519 -12.281 -4.021 10.479 1.00 11.30 O ATOM 2223 CB LYS A 519 -10.276 -2.293 12.047 1.00 0.21 C ATOM 2224 CG LYS A 519 -9.926 -1.527 13.347 1.00 51.31 C ATOM 2225 CD LYS A 519 -9.836 0.008 13.134 1.00 70.45 C ATOM 2226 CE LYS A 519 -11.178 0.621 12.676 1.00 72.21 C ATOM 2227 NZ LYS A 519 -11.112 2.094 12.495 1.00 70.30 N ATOM 0 H LYS A 519 -8.610 -4.047 12.749 1.00 73.45 H new ATOM 0 HA LYS A 519 -11.453 -3.879 12.978 1.00 40.33 H new ATOM 0 HB2 LYS A 519 -9.426 -2.234 11.368 1.00 0.21 H new ATOM 0 HB3 LYS A 519 -11.110 -1.788 11.559 1.00 0.21 H new ATOM 0 HG2 LYS A 519 -10.681 -1.741 14.104 1.00 51.31 H new ATOM 0 HG3 LYS A 519 -8.975 -1.892 13.734 1.00 51.31 H new ATOM 0 HD2 LYS A 519 -9.522 0.483 14.063 1.00 70.45 H new ATOM 0 HD3 LYS A 519 -9.069 0.224 12.390 1.00 70.45 H new ATOM 0 HE2 LYS A 519 -11.481 0.158 11.737 1.00 72.21 H new ATOM 0 HE3 LYS A 519 -11.948 0.385 13.410 1.00 72.21 H new ATOM 0 HZ1 LYS A 519 -12.040 2.448 12.188 1.00 70.30 H new ATOM 0 HZ2 LYS A 519 -10.851 2.543 13.396 1.00 70.30 H new ATOM 0 HZ3 LYS A 519 -10.398 2.324 11.774 1.00 70.30 H new ATOM 2241 N LYS A 520 -10.365 -5.251 10.269 1.00 44.24 N ATOM 2242 CA LYS A 520 -10.695 -5.905 8.976 1.00 62.34 C ATOM 2243 C LYS A 520 -10.823 -4.875 7.820 1.00 4.21 C ATOM 2244 O LYS A 520 -11.596 -5.063 6.876 1.00 25.41 O ATOM 2245 CB LYS A 520 -11.967 -6.796 9.111 1.00 12.11 C ATOM 2246 CG LYS A 520 -11.862 -7.911 10.175 1.00 35.12 C ATOM 2247 CD LYS A 520 -10.873 -9.033 9.796 1.00 50.02 C ATOM 2248 CE LYS A 520 -10.764 -10.127 10.874 1.00 60.44 C ATOM 2249 NZ LYS A 520 -12.080 -10.746 11.190 1.00 71.24 N ATOM 0 H LYS A 520 -9.455 -5.527 10.637 1.00 44.24 H new ATOM 0 HA LYS A 520 -9.863 -6.559 8.714 1.00 62.34 H new ATOM 0 HB2 LYS A 520 -12.817 -6.158 9.355 1.00 12.11 H new ATOM 0 HB3 LYS A 520 -12.178 -7.253 8.144 1.00 12.11 H new ATOM 0 HG2 LYS A 520 -11.553 -7.470 11.123 1.00 35.12 H new ATOM 0 HG3 LYS A 520 -12.849 -8.346 10.333 1.00 35.12 H new ATOM 0 HD2 LYS A 520 -11.189 -9.486 8.856 1.00 50.02 H new ATOM 0 HD3 LYS A 520 -9.888 -8.599 9.625 1.00 50.02 H new ATOM 0 HE2 LYS A 520 -10.074 -10.900 10.535 1.00 60.44 H new ATOM 0 HE3 LYS A 520 -10.340 -9.698 11.782 1.00 60.44 H new ATOM 0 HZ1 LYS A 520 -11.939 -11.553 11.830 1.00 71.24 H new ATOM 0 HZ2 LYS A 520 -12.693 -10.043 11.649 1.00 71.24 H new ATOM 0 HZ3 LYS A 520 -12.529 -11.075 10.311 1.00 71.24 H new ATOM 2263 N ILE A 521 -10.012 -3.797 7.885 1.00 3.10 N ATOM 2264 CA ILE A 521 -9.982 -2.744 6.837 1.00 22.42 C ATOM 2265 C ILE A 521 -8.559 -2.595 6.242 1.00 14.24 C ATOM 2266 O ILE A 521 -7.559 -2.800 6.935 1.00 63.21 O ATOM 2267 CB ILE A 521 -10.472 -1.343 7.385 1.00 64.53 C ATOM 2268 CG1 ILE A 521 -9.506 -0.776 8.475 1.00 3.44 C ATOM 2269 CG2 ILE A 521 -11.918 -1.439 7.934 1.00 20.20 C ATOM 2270 CD1 ILE A 521 -9.801 0.653 8.908 1.00 1.12 C ATOM 0 H ILE A 521 -9.365 -3.629 8.655 1.00 3.10 H new ATOM 0 HA ILE A 521 -10.671 -3.064 6.055 1.00 22.42 H new ATOM 0 HB ILE A 521 -10.466 -0.647 6.546 1.00 64.53 H new ATOM 0 HG12 ILE A 521 -9.550 -1.423 9.351 1.00 3.44 H new ATOM 0 HG13 ILE A 521 -8.485 -0.822 8.095 1.00 3.44 H new ATOM 0 HG21 ILE A 521 -12.232 -0.463 8.305 1.00 20.20 H new ATOM 0 HG22 ILE A 521 -12.590 -1.757 7.137 1.00 20.20 H new ATOM 0 HG23 ILE A 521 -11.951 -2.164 8.747 1.00 20.20 H new ATOM 0 HD11 ILE A 521 -9.080 0.960 9.666 1.00 1.12 H new ATOM 0 HD12 ILE A 521 -9.727 1.317 8.047 1.00 1.12 H new ATOM 0 HD13 ILE A 521 -10.808 0.707 9.322 1.00 1.12 H new ATOM 2282 N PHE A 522 -8.482 -2.241 4.950 1.00 11.24 N ATOM 2283 CA PHE A 522 -7.208 -1.936 4.267 1.00 34.12 C ATOM 2284 C PHE A 522 -6.872 -0.434 4.427 1.00 63.22 C ATOM 2285 O PHE A 522 -7.511 0.419 3.811 1.00 14.34 O ATOM 2286 CB PHE A 522 -7.289 -2.320 2.766 1.00 21.10 C ATOM 2287 CG PHE A 522 -7.419 -3.822 2.495 1.00 61.14 C ATOM 2288 CD1 PHE A 522 -8.663 -4.457 2.518 1.00 44.22 C ATOM 2289 CD2 PHE A 522 -6.294 -4.595 2.191 1.00 24.51 C ATOM 2290 CE1 PHE A 522 -8.774 -5.810 2.253 1.00 63.32 C ATOM 2291 CE2 PHE A 522 -6.409 -5.947 1.923 1.00 64.55 C ATOM 2292 CZ PHE A 522 -7.648 -6.555 1.952 1.00 72.33 C ATOM 0 H PHE A 522 -9.300 -2.157 4.346 1.00 11.24 H new ATOM 0 HA PHE A 522 -6.413 -2.525 4.725 1.00 34.12 H new ATOM 0 HB2 PHE A 522 -8.142 -1.809 2.320 1.00 21.10 H new ATOM 0 HB3 PHE A 522 -6.396 -1.950 2.262 1.00 21.10 H new ATOM 0 HD1 PHE A 522 -9.550 -3.884 2.746 1.00 44.22 H new ATOM 0 HD2 PHE A 522 -5.320 -4.129 2.165 1.00 24.51 H new ATOM 0 HE1 PHE A 522 -9.743 -6.286 2.281 1.00 63.32 H new ATOM 0 HE2 PHE A 522 -5.528 -6.528 1.691 1.00 64.55 H new ATOM 0 HZ PHE A 522 -7.738 -7.610 1.740 1.00 72.33 H new ATOM 2302 N MET A 523 -5.902 -0.129 5.300 1.00 53.42 N ATOM 2303 CA MET A 523 -5.419 1.260 5.535 1.00 61.53 C ATOM 2304 C MET A 523 -4.396 1.697 4.449 1.00 74.22 C ATOM 2305 O MET A 523 -3.865 0.866 3.716 1.00 72.51 O ATOM 2306 CB MET A 523 -4.782 1.376 6.952 1.00 75.02 C ATOM 2307 CG MET A 523 -5.718 0.988 8.108 1.00 21.12 C ATOM 2308 SD MET A 523 -5.006 1.346 9.732 1.00 14.54 S ATOM 2309 CE MET A 523 -6.403 1.037 10.820 1.00 42.32 C ATOM 0 H MET A 523 -5.424 -0.829 5.867 1.00 53.42 H new ATOM 0 HA MET A 523 -6.278 1.928 5.473 1.00 61.53 H new ATOM 0 HB2 MET A 523 -3.896 0.742 6.991 1.00 75.02 H new ATOM 0 HB3 MET A 523 -4.446 2.402 7.102 1.00 75.02 H new ATOM 0 HG2 MET A 523 -6.661 1.525 8.003 1.00 21.12 H new ATOM 0 HG3 MET A 523 -5.948 -0.076 8.043 1.00 21.12 H new ATOM 0 HE1 MET A 523 -6.039 0.729 11.800 1.00 42.32 H new ATOM 0 HE2 MET A 523 -6.994 1.948 10.921 1.00 42.32 H new ATOM 0 HE3 MET A 523 -7.024 0.247 10.399 1.00 42.32 H new ATOM 2319 N GLY A 524 -4.136 3.014 4.373 1.00 73.01 N ATOM 2320 CA GLY A 524 -3.174 3.591 3.417 1.00 55.52 C ATOM 2321 C GLY A 524 -2.392 4.766 4.022 1.00 51.03 C ATOM 2322 O GLY A 524 -2.889 5.887 4.058 1.00 13.22 O ATOM 0 H GLY A 524 -4.586 3.707 4.971 1.00 73.01 H new ATOM 0 HA2 GLY A 524 -2.475 2.818 3.096 1.00 55.52 H new ATOM 0 HA3 GLY A 524 -3.706 3.930 2.528 1.00 55.52 H new ATOM 2326 N LEU A 525 -1.171 4.497 4.519 1.00 75.55 N ATOM 2327 CA LEU A 525 -0.306 5.513 5.172 1.00 60.31 C ATOM 2328 C LEU A 525 0.548 6.294 4.142 1.00 72.10 C ATOM 2329 O LEU A 525 1.483 5.745 3.565 1.00 64.30 O ATOM 2330 CB LEU A 525 0.586 4.812 6.239 1.00 44.43 C ATOM 2331 CG LEU A 525 -0.157 4.435 7.561 1.00 5.44 C ATOM 2332 CD1 LEU A 525 0.690 3.517 8.460 1.00 70.50 C ATOM 2333 CD2 LEU A 525 -0.585 5.713 8.322 1.00 53.25 C ATOM 0 H LEU A 525 -0.750 3.569 4.482 1.00 75.55 H new ATOM 0 HA LEU A 525 -0.940 6.251 5.663 1.00 60.31 H new ATOM 0 HB2 LEU A 525 1.007 3.906 5.803 1.00 44.43 H new ATOM 0 HB3 LEU A 525 1.422 5.467 6.482 1.00 44.43 H new ATOM 0 HG LEU A 525 -1.050 3.874 7.287 1.00 5.44 H new ATOM 0 HD11 LEU A 525 0.133 3.281 9.367 1.00 70.50 H new ATOM 0 HD12 LEU A 525 0.920 2.595 7.925 1.00 70.50 H new ATOM 0 HD13 LEU A 525 1.618 4.023 8.725 1.00 70.50 H new ATOM 0 HD21 LEU A 525 -1.101 5.434 9.241 1.00 53.25 H new ATOM 0 HD22 LEU A 525 0.298 6.303 8.567 1.00 53.25 H new ATOM 0 HD23 LEU A 525 -1.254 6.303 7.695 1.00 53.25 H new ATOM 2345 N ILE A 526 0.200 7.585 3.935 1.00 2.45 N ATOM 2346 CA ILE A 526 0.887 8.494 2.988 1.00 33.50 C ATOM 2347 C ILE A 526 2.019 9.293 3.708 1.00 34.43 C ATOM 2348 O ILE A 526 1.728 10.282 4.396 1.00 43.31 O ATOM 2349 CB ILE A 526 -0.139 9.508 2.347 1.00 63.21 C ATOM 2350 CG1 ILE A 526 -1.318 8.752 1.647 1.00 24.41 C ATOM 2351 CG2 ILE A 526 0.578 10.483 1.378 1.00 71.12 C ATOM 2352 CD1 ILE A 526 -2.424 9.646 1.100 1.00 51.11 C ATOM 0 H ILE A 526 -0.575 8.030 4.427 1.00 2.45 H new ATOM 0 HA ILE A 526 1.327 7.881 2.201 1.00 33.50 H new ATOM 0 HB ILE A 526 -0.572 10.106 3.149 1.00 63.21 H new ATOM 0 HG12 ILE A 526 -0.913 8.159 0.827 1.00 24.41 H new ATOM 0 HG13 ILE A 526 -1.756 8.054 2.360 1.00 24.41 H new ATOM 0 HG21 ILE A 526 -0.150 11.171 0.949 1.00 71.12 H new ATOM 0 HG22 ILE A 526 1.334 11.048 1.924 1.00 71.12 H new ATOM 0 HG23 ILE A 526 1.055 9.916 0.579 1.00 71.12 H new ATOM 0 HD11 ILE A 526 -3.193 9.030 0.635 1.00 51.11 H new ATOM 0 HD12 ILE A 526 -2.863 10.221 1.915 1.00 51.11 H new ATOM 0 HD13 ILE A 526 -2.008 10.328 0.358 1.00 51.11 H new ATOM 2364 N PRO A 527 3.320 8.898 3.557 1.00 41.52 N ATOM 2365 CA PRO A 527 4.443 9.574 4.244 1.00 53.21 C ATOM 2366 C PRO A 527 4.828 10.902 3.541 1.00 24.31 C ATOM 2367 O PRO A 527 5.344 10.886 2.423 1.00 64.32 O ATOM 2368 CB PRO A 527 5.573 8.518 4.180 1.00 22.42 C ATOM 2369 CG PRO A 527 5.300 7.749 2.917 1.00 51.40 C ATOM 2370 CD PRO A 527 3.800 7.794 2.690 1.00 55.43 C ATOM 0 HA PRO A 527 4.209 9.875 5.265 1.00 53.21 H new ATOM 0 HB2 PRO A 527 6.555 8.989 4.153 1.00 22.42 H new ATOM 0 HB3 PRO A 527 5.556 7.866 5.053 1.00 22.42 H new ATOM 0 HG2 PRO A 527 5.832 8.190 2.074 1.00 51.40 H new ATOM 0 HG3 PRO A 527 5.646 6.720 3.009 1.00 51.40 H new ATOM 0 HD2 PRO A 527 3.564 7.982 1.643 1.00 55.43 H new ATOM 0 HD3 PRO A 527 3.331 6.847 2.958 1.00 55.43 H new ATOM 2378 N TYR A 528 4.562 12.045 4.219 1.00 1.31 N ATOM 2379 CA TYR A 528 4.812 13.418 3.683 1.00 11.21 C ATOM 2380 C TYR A 528 6.283 13.638 3.263 1.00 22.23 C ATOM 2381 O TYR A 528 6.586 14.500 2.428 1.00 11.23 O ATOM 2382 CB TYR A 528 4.373 14.484 4.718 1.00 23.44 C ATOM 2383 CG TYR A 528 2.856 14.524 4.947 1.00 61.42 C ATOM 2384 CD1 TYR A 528 2.222 13.611 5.798 1.00 64.34 C ATOM 2385 CD2 TYR A 528 2.058 15.470 4.298 1.00 12.24 C ATOM 2386 CE1 TYR A 528 0.853 13.651 5.986 1.00 24.04 C ATOM 2387 CE2 TYR A 528 0.693 15.510 4.492 1.00 54.22 C ATOM 2388 CZ TYR A 528 0.098 14.601 5.335 1.00 32.40 C ATOM 2389 OH TYR A 528 -1.257 14.649 5.543 1.00 62.50 O ATOM 0 H TYR A 528 4.166 12.047 5.159 1.00 1.31 H new ATOM 0 HA TYR A 528 4.212 13.523 2.779 1.00 11.21 H new ATOM 0 HB2 TYR A 528 4.871 14.285 5.667 1.00 23.44 H new ATOM 0 HB3 TYR A 528 4.708 15.465 4.382 1.00 23.44 H new ATOM 0 HD1 TYR A 528 2.810 12.866 6.314 1.00 64.34 H new ATOM 0 HD2 TYR A 528 2.519 16.184 3.631 1.00 12.24 H new ATOM 0 HE1 TYR A 528 0.376 12.938 6.643 1.00 24.04 H new ATOM 0 HE2 TYR A 528 0.094 16.252 3.984 1.00 54.22 H new ATOM 0 HH TYR A 528 -1.644 15.376 5.012 1.00 62.50 H new ATOM 2399 N ASP A 529 7.190 12.854 3.850 1.00 53.14 N ATOM 2400 CA ASP A 529 8.568 12.724 3.346 1.00 21.11 C ATOM 2401 C ASP A 529 8.633 11.584 2.304 1.00 4.43 C ATOM 2402 O ASP A 529 9.117 10.489 2.604 1.00 13.41 O ATOM 2403 CB ASP A 529 9.555 12.489 4.522 1.00 64.25 C ATOM 2404 CG ASP A 529 9.763 13.751 5.376 1.00 24.22 C ATOM 2405 OD1 ASP A 529 8.960 14.000 6.294 1.00 13.12 O ATOM 2406 OD2 ASP A 529 10.737 14.497 5.121 1.00 63.03 O ATOM 0 H ASP A 529 6.997 12.294 4.681 1.00 53.14 H new ATOM 0 HA ASP A 529 8.866 13.650 2.854 1.00 21.11 H new ATOM 0 HB2 ASP A 529 9.178 11.685 5.154 1.00 64.25 H new ATOM 0 HB3 ASP A 529 10.516 12.160 4.126 1.00 64.25 H new ATOM 2411 N GLN A 530 8.089 11.840 1.085 1.00 53.54 N ATOM 2412 CA GLN A 530 8.100 10.847 -0.018 1.00 3.11 C ATOM 2413 C GLN A 530 9.543 10.475 -0.434 1.00 12.43 C ATOM 2414 O GLN A 530 9.851 9.297 -0.585 1.00 61.23 O ATOM 2415 CB GLN A 530 7.301 11.347 -1.262 1.00 22.44 C ATOM 2416 CG GLN A 530 5.758 11.270 -1.141 1.00 50.25 C ATOM 2417 CD GLN A 530 5.111 12.367 -0.291 1.00 21.41 C ATOM 2418 OE1 GLN A 530 5.611 13.482 -0.199 1.00 1.55 O ATOM 2419 NE2 GLN A 530 3.986 12.050 0.336 1.00 4.40 N ATOM 0 H GLN A 530 7.639 12.723 0.844 1.00 53.54 H new ATOM 0 HA GLN A 530 7.607 9.954 0.367 1.00 3.11 H new ATOM 0 HB2 GLN A 530 7.581 12.382 -1.460 1.00 22.44 H new ATOM 0 HB3 GLN A 530 7.609 10.762 -2.129 1.00 22.44 H new ATOM 0 HG2 GLN A 530 5.329 11.309 -2.142 1.00 50.25 H new ATOM 0 HG3 GLN A 530 5.491 10.301 -0.718 1.00 50.25 H new ATOM 0 HE21 GLN A 530 3.595 11.113 0.239 1.00 4.40 H new ATOM 0 HE22 GLN A 530 3.512 12.743 0.915 1.00 4.40 H new ATOM 2428 N SER A 531 10.415 11.493 -0.599 1.00 32.14 N ATOM 2429 CA SER A 531 11.848 11.283 -0.962 1.00 70.54 C ATOM 2430 C SER A 531 12.595 10.460 0.119 1.00 61.51 C ATOM 2431 O SER A 531 13.281 9.485 -0.192 1.00 44.22 O ATOM 2432 CB SER A 531 12.561 12.642 -1.166 1.00 31.30 C ATOM 2433 OG SER A 531 11.961 13.402 -2.204 1.00 34.02 O ATOM 0 H SER A 531 10.158 12.474 -0.488 1.00 32.14 H new ATOM 0 HA SER A 531 11.868 10.720 -1.895 1.00 70.54 H new ATOM 0 HB2 SER A 531 12.533 13.210 -0.236 1.00 31.30 H new ATOM 0 HB3 SER A 531 13.611 12.470 -1.402 1.00 31.30 H new ATOM 0 HG SER A 531 12.436 14.253 -2.303 1.00 34.02 H new ATOM 2439 N GLY A 532 12.414 10.867 1.393 1.00 35.33 N ATOM 2440 CA GLY A 532 13.010 10.173 2.544 1.00 42.41 C ATOM 2441 C GLY A 532 12.489 8.743 2.736 1.00 61.41 C ATOM 2442 O GLY A 532 13.232 7.852 3.165 1.00 44.52 O ATOM 0 H GLY A 532 11.854 11.681 1.647 1.00 35.33 H new ATOM 0 HA2 GLY A 532 14.092 10.143 2.419 1.00 42.41 H new ATOM 0 HA3 GLY A 532 12.810 10.748 3.448 1.00 42.41 H new ATOM 2446 N PHE A 533 11.204 8.521 2.397 1.00 54.32 N ATOM 2447 CA PHE A 533 10.566 7.197 2.519 1.00 22.31 C ATOM 2448 C PHE A 533 11.076 6.228 1.429 1.00 34.34 C ATOM 2449 O PHE A 533 11.455 5.099 1.736 1.00 63.41 O ATOM 2450 CB PHE A 533 9.028 7.303 2.450 1.00 43.55 C ATOM 2451 CG PHE A 533 8.310 5.978 2.716 1.00 44.45 C ATOM 2452 CD1 PHE A 533 8.219 5.475 4.011 1.00 55.23 C ATOM 2453 CD2 PHE A 533 7.742 5.231 1.681 1.00 33.11 C ATOM 2454 CE1 PHE A 533 7.587 4.277 4.268 1.00 0.13 C ATOM 2455 CE2 PHE A 533 7.107 4.032 1.940 1.00 31.23 C ATOM 2456 CZ PHE A 533 7.039 3.555 3.235 1.00 52.51 C ATOM 0 H PHE A 533 10.585 9.246 2.035 1.00 54.32 H new ATOM 0 HA PHE A 533 10.840 6.799 3.496 1.00 22.31 H new ATOM 0 HB2 PHE A 533 8.690 8.042 3.177 1.00 43.55 H new ATOM 0 HB3 PHE A 533 8.741 7.671 1.465 1.00 43.55 H new ATOM 0 HD1 PHE A 533 8.651 6.033 4.829 1.00 55.23 H new ATOM 0 HD2 PHE A 533 7.800 5.595 0.666 1.00 33.11 H new ATOM 0 HE1 PHE A 533 7.523 3.906 5.280 1.00 0.13 H new ATOM 0 HE2 PHE A 533 6.665 3.468 1.132 1.00 31.23 H new ATOM 0 HZ PHE A 533 6.554 2.611 3.436 1.00 52.51 H new ATOM 2466 N VAL A 534 11.072 6.695 0.160 1.00 51.42 N ATOM 2467 CA VAL A 534 11.564 5.910 -1.000 1.00 33.44 C ATOM 2468 C VAL A 534 13.054 5.513 -0.816 1.00 41.44 C ATOM 2469 O VAL A 534 13.438 4.413 -1.178 1.00 74.25 O ATOM 2470 CB VAL A 534 11.347 6.688 -2.365 1.00 51.22 C ATOM 2471 CG1 VAL A 534 12.040 5.985 -3.570 1.00 45.11 C ATOM 2472 CG2 VAL A 534 9.830 6.886 -2.653 1.00 65.13 C ATOM 0 H VAL A 534 10.730 7.623 -0.091 1.00 51.42 H new ATOM 0 HA VAL A 534 10.975 4.994 -1.047 1.00 33.44 H new ATOM 0 HB VAL A 534 11.818 7.664 -2.248 1.00 51.22 H new ATOM 0 HG11 VAL A 534 11.860 6.559 -4.479 1.00 45.11 H new ATOM 0 HG12 VAL A 534 13.113 5.922 -3.387 1.00 45.11 H new ATOM 0 HG13 VAL A 534 11.633 4.981 -3.689 1.00 45.11 H new ATOM 0 HG21 VAL A 534 9.705 7.422 -3.594 1.00 65.13 H new ATOM 0 HG22 VAL A 534 9.343 5.913 -2.722 1.00 65.13 H new ATOM 0 HG23 VAL A 534 9.378 7.462 -1.845 1.00 65.13 H new ATOM 2482 N ASN A 535 13.864 6.409 -0.209 1.00 43.30 N ATOM 2483 CA ASN A 535 15.272 6.103 0.171 1.00 42.33 C ATOM 2484 C ASN A 535 15.349 4.965 1.230 1.00 14.53 C ATOM 2485 O ASN A 535 16.215 4.087 1.146 1.00 23.54 O ATOM 2486 CB ASN A 535 15.991 7.383 0.678 1.00 13.45 C ATOM 2487 CG ASN A 535 16.253 8.408 -0.434 1.00 20.02 C ATOM 2488 OD1 ASN A 535 16.469 8.050 -1.588 1.00 71.13 O ATOM 2489 ND2 ASN A 535 16.236 9.686 -0.095 1.00 75.35 N ATOM 0 H ASN A 535 13.570 7.356 0.031 1.00 43.30 H new ATOM 0 HA ASN A 535 15.786 5.749 -0.722 1.00 42.33 H new ATOM 0 HB2 ASN A 535 15.386 7.848 1.457 1.00 13.45 H new ATOM 0 HB3 ASN A 535 16.940 7.102 1.136 1.00 13.45 H new ATOM 0 HD21 ASN A 535 16.405 10.403 -0.800 1.00 75.35 H new ATOM 0 HD22 ASN A 535 16.054 9.955 0.872 1.00 75.35 H new ATOM 2496 N GLY A 536 14.420 4.990 2.205 1.00 74.12 N ATOM 2497 CA GLY A 536 14.268 3.895 3.182 1.00 33.22 C ATOM 2498 C GLY A 536 13.813 2.569 2.540 1.00 51.53 C ATOM 2499 O GLY A 536 14.229 1.485 2.964 1.00 62.45 O ATOM 0 H GLY A 536 13.762 5.758 2.337 1.00 74.12 H new ATOM 0 HA2 GLY A 536 15.218 3.737 3.692 1.00 33.22 H new ATOM 0 HA3 GLY A 536 13.544 4.191 3.941 1.00 33.22 H new ATOM 2503 N ILE A 537 12.954 2.675 1.505 1.00 54.22 N ATOM 2504 CA ILE A 537 12.460 1.522 0.711 1.00 13.31 C ATOM 2505 C ILE A 537 13.565 0.984 -0.235 1.00 54.03 C ATOM 2506 O ILE A 537 13.637 -0.215 -0.487 1.00 31.11 O ATOM 2507 CB ILE A 537 11.170 1.931 -0.112 1.00 61.34 C ATOM 2508 CG1 ILE A 537 10.015 2.337 0.847 1.00 15.44 C ATOM 2509 CG2 ILE A 537 10.692 0.825 -1.088 1.00 13.45 C ATOM 2510 CD1 ILE A 537 9.478 1.213 1.715 1.00 33.13 C ATOM 0 H ILE A 537 12.578 3.570 1.191 1.00 54.22 H new ATOM 0 HA ILE A 537 12.192 0.723 1.402 1.00 13.31 H new ATOM 0 HB ILE A 537 11.455 2.787 -0.723 1.00 61.34 H new ATOM 0 HG12 ILE A 537 10.366 3.140 1.495 1.00 15.44 H new ATOM 0 HG13 ILE A 537 9.195 2.741 0.253 1.00 15.44 H new ATOM 0 HG21 ILE A 537 9.805 1.168 -1.621 1.00 13.45 H new ATOM 0 HG22 ILE A 537 11.483 0.605 -1.805 1.00 13.45 H new ATOM 0 HG23 ILE A 537 10.451 -0.077 -0.526 1.00 13.45 H new ATOM 0 HD11 ILE A 537 8.677 1.594 2.349 1.00 33.13 H new ATOM 0 HD12 ILE A 537 9.091 0.416 1.080 1.00 33.13 H new ATOM 0 HD13 ILE A 537 10.280 0.821 2.341 1.00 33.13 H new ATOM 2522 N ARG A 538 14.445 1.882 -0.719 1.00 61.31 N ATOM 2523 CA ARG A 538 15.596 1.517 -1.589 1.00 55.34 C ATOM 2524 C ARG A 538 16.576 0.580 -0.853 1.00 43.54 C ATOM 2525 O ARG A 538 17.151 -0.317 -1.461 1.00 63.33 O ATOM 2526 CB ARG A 538 16.332 2.794 -2.094 1.00 23.22 C ATOM 2527 CG ARG A 538 15.618 3.531 -3.254 1.00 33.10 C ATOM 2528 CD ARG A 538 16.278 4.880 -3.608 1.00 31.10 C ATOM 2529 NE ARG A 538 15.670 5.498 -4.807 1.00 35.12 N ATOM 2530 CZ ARG A 538 15.698 6.781 -5.112 1.00 22.41 C ATOM 2531 NH1 ARG A 538 16.221 7.658 -4.314 1.00 1.41 N ATOM 2532 NH2 ARG A 538 15.177 7.186 -6.224 1.00 30.13 N ATOM 0 H ARG A 538 14.384 2.881 -0.522 1.00 61.31 H new ATOM 0 HA ARG A 538 15.204 0.981 -2.453 1.00 55.34 H new ATOM 0 HB2 ARG A 538 16.449 3.485 -1.259 1.00 23.22 H new ATOM 0 HB3 ARG A 538 17.334 2.515 -2.420 1.00 23.22 H new ATOM 0 HG2 ARG A 538 15.615 2.891 -4.137 1.00 33.10 H new ATOM 0 HG3 ARG A 538 14.577 3.703 -2.982 1.00 33.10 H new ATOM 0 HD2 ARG A 538 16.185 5.562 -2.763 1.00 31.10 H new ATOM 0 HD3 ARG A 538 17.344 4.728 -3.780 1.00 31.10 H new ATOM 0 HE ARG A 538 15.186 4.877 -5.455 1.00 35.12 H new ATOM 0 HH11 ARG A 538 16.624 7.362 -3.425 1.00 1.41 H new ATOM 0 HH12 ARG A 538 16.229 8.644 -4.575 1.00 1.41 H new ATOM 0 HH21 ARG A 538 14.747 6.515 -6.860 1.00 30.13 H new ATOM 0 HH22 ARG A 538 15.196 8.177 -6.465 1.00 30.13 H new ATOM 2546 N GLN A 539 16.733 0.807 0.464 1.00 14.25 N ATOM 2547 CA GLN A 539 17.516 -0.083 1.361 1.00 23.51 C ATOM 2548 C GLN A 539 16.908 -1.518 1.406 1.00 61.14 C ATOM 2549 O GLN A 539 17.635 -2.510 1.478 1.00 35.33 O ATOM 2550 CB GLN A 539 17.572 0.549 2.780 1.00 63.04 C ATOM 2551 CG GLN A 539 18.265 1.936 2.830 1.00 34.24 C ATOM 2552 CD GLN A 539 18.170 2.650 4.189 1.00 14.43 C ATOM 2553 OE1 GLN A 539 17.058 2.496 4.888 1.00 52.43 O flip ATOM 2554 NE2 GLN A 539 19.076 3.379 4.584 1.00 32.33 N flip ATOM 0 H GLN A 539 16.324 1.610 0.942 1.00 14.25 H new ATOM 0 HA GLN A 539 18.529 -0.181 0.972 1.00 23.51 H new ATOM 0 HB2 GLN A 539 16.556 0.649 3.162 1.00 63.04 H new ATOM 0 HB3 GLN A 539 18.098 -0.132 3.449 1.00 63.04 H new ATOM 0 HG2 GLN A 539 19.317 1.812 2.572 1.00 34.24 H new ATOM 0 HG3 GLN A 539 17.823 2.576 2.066 1.00 34.24 H new ATOM 0 HE21 GLN A 539 19.925 3.483 4.029 1.00 32.33 H new ATOM 0 HE22 GLN A 539 18.979 3.880 5.467 1.00 32.33 H new ATOM 2563 N VAL A 540 15.564 -1.588 1.341 1.00 71.30 N ATOM 2564 CA VAL A 540 14.794 -2.856 1.312 1.00 51.23 C ATOM 2565 C VAL A 540 14.903 -3.567 -0.076 1.00 41.12 C ATOM 2566 O VAL A 540 15.038 -4.799 -0.146 1.00 11.54 O ATOM 2567 CB VAL A 540 13.279 -2.576 1.667 1.00 65.04 C ATOM 2568 CG1 VAL A 540 12.415 -3.861 1.629 1.00 5.12 C ATOM 2569 CG2 VAL A 540 13.161 -1.859 3.040 1.00 5.11 C ATOM 0 H VAL A 540 14.972 -0.758 1.307 1.00 71.30 H new ATOM 0 HA VAL A 540 15.222 -3.525 2.058 1.00 51.23 H new ATOM 0 HB VAL A 540 12.885 -1.914 0.896 1.00 65.04 H new ATOM 0 HG11 VAL A 540 11.384 -3.614 1.880 1.00 5.12 H new ATOM 0 HG12 VAL A 540 12.451 -4.294 0.629 1.00 5.12 H new ATOM 0 HG13 VAL A 540 12.801 -4.581 2.351 1.00 5.12 H new ATOM 0 HG21 VAL A 540 12.110 -1.675 3.266 1.00 5.11 H new ATOM 0 HG22 VAL A 540 13.595 -2.488 3.817 1.00 5.11 H new ATOM 0 HG23 VAL A 540 13.695 -0.910 3.002 1.00 5.11 H new