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 497 CYS SG : rot -110:sc= 1.27 USER MOD Set 1.2: A 499 HIS :FLIP no HE2:sc= 0.53 F(o=-2.4,f=1.8) USER MOD Set 2.1: A 440 LYS NZ :NH3+ -115:sc= 0.0252 (180deg=0) USER MOD Set 2.2: A 443 GLN : amide:sc= -0.919 X(o=-0.89,f=-0.5) USER MOD Set 3.1: A 430 GLN : amide:sc= 0.238 K(o=0.21,f=-0.59) USER MOD Set 3.2: A 432 TYR OH : rot -23:sc= 0.408 USER MOD Set 3.3: A 474 HIS : no HD1:sc= -0.438 X(o=0.21,f=0.53) USER MOD Set 4.1: A 409 GLN : amide:sc= -0.0578 X(o=-0.087,f=0.29) USER MOD Set 4.2: A 424 THR OG1 : rot 180:sc= -0.0295 USER MOD Single : A 398 LYS NZ :NH3+ -147:sc= -0.0759 (180deg=-1.47!) 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 53:sc= -4.1! USER MOD Single : A 434 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 438 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 441 THR OG1 : rot 159:sc= 1.16 USER MOD Single : A 446 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 447 LYS NZ :NH3+ -167:sc= 0.644 (180deg=0.529) USER MOD Single : A 450 MET CE :methyl 165:sc= 0 (180deg=-0.252) USER MOD Single : A 451 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 455 GLN : amide:sc= -0.753 X(o=-0.75,f=-0.42) USER MOD Single : A 456 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 459 THR OG1 : rot -84:sc= 0.985 USER MOD Single : A 460 THR OG1 : rot -71:sc= 0.865 USER MOD Single : A 467 ASN : amide:sc= -0.8 X(o=-0.8,f=-0.39) USER MOD Single : A 468 SER OG : rot -72:sc= -0.0576 USER MOD Single : A 470 MET CE :methyl -138:sc= -0.674 (180deg=-1.91!) USER MOD Single : A 472 GLN : amide:sc= -1.65 K(o=-1.7,f=-3.6!) USER MOD Single : A 476 THR OG1 : rot 180:sc= 0.163 USER MOD Single : A 477 ASN : amide:sc= -0.0487 K(o=-0.049,f=-2.3!) USER MOD Single : A 478 LYS NZ :NH3+ -173:sc=-0.00225 (180deg=-0.0883) USER MOD Single : A 482 SER OG : rot 1:sc= 0.147 USER MOD Single : A 484 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0207) USER MOD Single : A 487 TYR OH : rot 30:sc= 0 USER MOD Single : A 490 MET CE :methyl 148:sc= -0.213 (180deg=-1.44!) USER MOD Single : A 492 ASN : amide:sc= -0.0374 X(o=-0.037,f=-0.4) USER MOD Single : A 512 MET CE :methyl 170:sc= -1.18 (180deg=-1.26) USER MOD Single : A 515 TYR OH : rot 180:sc= -0.934 USER MOD Single : A 516 SER OG : rot -78:sc= -0.335 USER MOD Single : A 517 SER OG : rot -24:sc= 0.211 USER MOD Single : A 518 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 520 LYS NZ :NH3+ 169:sc= -0.0203 (180deg=-0.187) USER MOD Single : A 523 MET CE :methyl 166:sc= -0.199 (180deg=-0.608) USER MOD Single : A 528 TYR OH : rot 150:sc= 0.814 USER MOD Single : A 530 GLN : amide:sc= 1.8 K(o=1.8,f=-6.8!) USER MOD Single : A 531 SER OG : rot 180:sc= 0 USER MOD Single : A 535 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 539 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 250 N LYS A 398 -17.934 8.096 4.144 1.00 20.25 N ATOM 251 CA LYS A 398 -16.757 8.993 4.063 1.00 12.51 C ATOM 252 C LYS A 398 -16.650 9.657 2.662 1.00 14.21 C ATOM 253 O LYS A 398 -17.251 9.172 1.690 1.00 21.52 O ATOM 254 CB LYS A 398 -15.484 8.164 4.404 1.00 41.15 C ATOM 255 CG LYS A 398 -14.244 8.979 4.824 1.00 33.54 C ATOM 256 CD LYS A 398 -13.094 8.078 5.352 1.00 60.14 C ATOM 257 CE LYS A 398 -11.942 8.878 5.988 1.00 22.21 C ATOM 258 NZ LYS A 398 -10.884 7.991 6.548 1.00 11.14 N ATOM 0 HA LYS A 398 -16.863 9.806 4.781 1.00 12.51 H new ATOM 0 HB2 LYS A 398 -15.730 7.471 5.209 1.00 41.15 H new ATOM 0 HB3 LYS A 398 -15.222 7.562 3.534 1.00 41.15 H new ATOM 0 HG2 LYS A 398 -13.887 9.557 3.972 1.00 33.54 H new ATOM 0 HG3 LYS A 398 -14.527 9.693 5.597 1.00 33.54 H new ATOM 0 HD2 LYS A 398 -13.495 7.382 6.089 1.00 60.14 H new ATOM 0 HD3 LYS A 398 -12.702 7.480 4.529 1.00 60.14 H new ATOM 0 HE2 LYS A 398 -11.503 9.537 5.239 1.00 22.21 H new ATOM 0 HE3 LYS A 398 -12.337 9.514 6.780 1.00 22.21 H new ATOM 0 HZ1 LYS A 398 -10.466 8.438 7.389 1.00 11.14 H new ATOM 0 HZ2 LYS A 398 -11.302 7.077 6.814 1.00 11.14 H new ATOM 0 HZ3 LYS A 398 -10.145 7.838 5.833 1.00 11.14 H new ATOM 272 N LEU A 399 -15.895 10.771 2.561 1.00 2.13 N ATOM 273 CA LEU A 399 -15.721 11.486 1.279 1.00 30.01 C ATOM 274 C LEU A 399 -14.840 10.661 0.312 1.00 53.11 C ATOM 275 O LEU A 399 -13.665 10.396 0.600 1.00 21.32 O ATOM 276 CB LEU A 399 -15.096 12.886 1.492 1.00 11.13 C ATOM 277 CG LEU A 399 -15.016 13.770 0.206 1.00 54.44 C ATOM 278 CD1 LEU A 399 -16.425 14.154 -0.316 1.00 22.13 C ATOM 279 CD2 LEU A 399 -14.136 15.008 0.437 1.00 44.33 C ATOM 0 H LEU A 399 -15.399 11.193 3.346 1.00 2.13 H new ATOM 0 HA LEU A 399 -16.710 11.616 0.840 1.00 30.01 H new ATOM 0 HB2 LEU A 399 -15.677 13.417 2.246 1.00 11.13 H new ATOM 0 HB3 LEU A 399 -14.090 12.762 1.894 1.00 11.13 H new ATOM 0 HG LEU A 399 -14.542 13.173 -0.573 1.00 54.44 H new ATOM 0 HD11 LEU A 399 -16.326 14.768 -1.211 1.00 22.13 H new ATOM 0 HD12 LEU A 399 -16.983 13.249 -0.557 1.00 22.13 H new ATOM 0 HD13 LEU A 399 -16.957 14.715 0.452 1.00 22.13 H new ATOM 0 HD21 LEU A 399 -14.099 15.604 -0.475 1.00 44.33 H new ATOM 0 HD22 LEU A 399 -14.556 15.607 1.245 1.00 44.33 H new ATOM 0 HD23 LEU A 399 -13.128 14.693 0.705 1.00 44.33 H new ATOM 291 N LEU A 400 -15.429 10.248 -0.827 1.00 24.01 N ATOM 292 CA LEU A 400 -14.713 9.493 -1.863 1.00 41.33 C ATOM 293 C LEU A 400 -13.793 10.445 -2.655 1.00 21.45 C ATOM 294 O LEU A 400 -14.263 11.267 -3.454 1.00 35.45 O ATOM 295 CB LEU A 400 -15.706 8.762 -2.812 1.00 34.23 C ATOM 296 CG LEU A 400 -15.053 7.914 -3.949 1.00 23.32 C ATOM 297 CD1 LEU A 400 -14.037 6.903 -3.382 1.00 44.45 C ATOM 298 CD2 LEU A 400 -16.126 7.209 -4.815 1.00 71.00 C ATOM 0 H LEU A 400 -16.408 10.429 -1.050 1.00 24.01 H new ATOM 0 HA LEU A 400 -14.102 8.730 -1.381 1.00 41.33 H new ATOM 0 HB2 LEU A 400 -16.338 8.107 -2.212 1.00 34.23 H new ATOM 0 HB3 LEU A 400 -16.359 9.506 -3.268 1.00 34.23 H new ATOM 0 HG LEU A 400 -14.507 8.600 -4.597 1.00 23.32 H new ATOM 0 HD11 LEU A 400 -13.601 6.329 -4.199 1.00 44.45 H new ATOM 0 HD12 LEU A 400 -13.248 7.438 -2.853 1.00 44.45 H new ATOM 0 HD13 LEU A 400 -14.543 6.227 -2.693 1.00 44.45 H new ATOM 0 HD21 LEU A 400 -15.638 6.627 -5.597 1.00 71.00 H new ATOM 0 HD22 LEU A 400 -16.722 6.546 -4.188 1.00 71.00 H new ATOM 0 HD23 LEU A 400 -16.775 7.957 -5.271 1.00 71.00 H new ATOM 310 N ALA A 401 -12.489 10.350 -2.378 1.00 50.23 N ATOM 311 CA ALA A 401 -11.463 11.169 -3.033 1.00 32.10 C ATOM 312 C ALA A 401 -11.148 10.658 -4.451 1.00 35.44 C ATOM 313 O ALA A 401 -11.187 11.413 -5.427 1.00 33.32 O ATOM 314 CB ALA A 401 -10.192 11.164 -2.179 1.00 64.32 C ATOM 0 H ALA A 401 -12.113 9.699 -1.689 1.00 50.23 H new ATOM 0 HA ALA A 401 -11.845 12.186 -3.128 1.00 32.10 H new ATOM 0 HB1 ALA A 401 -9.427 11.771 -2.662 1.00 64.32 H new ATOM 0 HB2 ALA A 401 -10.414 11.575 -1.194 1.00 64.32 H new ATOM 0 HB3 ALA A 401 -9.830 10.142 -2.072 1.00 64.32 H new ATOM 320 N TRP A 402 -10.846 9.357 -4.543 1.00 42.24 N ATOM 321 CA TRP A 402 -10.310 8.737 -5.770 1.00 74.04 C ATOM 322 C TRP A 402 -10.944 7.350 -6.006 1.00 34.13 C ATOM 323 O TRP A 402 -11.259 6.637 -5.055 1.00 24.02 O ATOM 324 CB TRP A 402 -8.764 8.625 -5.638 1.00 44.43 C ATOM 325 CG TRP A 402 -8.048 8.125 -6.878 1.00 73.15 C ATOM 326 CD1 TRP A 402 -7.633 8.873 -7.949 1.00 21.02 C ATOM 327 CD2 TRP A 402 -7.664 6.770 -7.169 1.00 13.31 C ATOM 328 NE1 TRP A 402 -7.019 8.067 -8.873 1.00 5.12 N ATOM 329 CE2 TRP A 402 -7.032 6.775 -8.422 1.00 20.55 C ATOM 330 CE3 TRP A 402 -7.807 5.557 -6.491 1.00 23.42 C ATOM 331 CZ2 TRP A 402 -6.530 5.613 -9.006 1.00 32.52 C ATOM 332 CZ3 TRP A 402 -7.313 4.408 -7.072 1.00 75.43 C ATOM 333 CH2 TRP A 402 -6.682 4.442 -8.320 1.00 12.31 C ATOM 0 H TRP A 402 -10.965 8.701 -3.771 1.00 42.24 H new ATOM 0 HA TRP A 402 -10.558 9.358 -6.631 1.00 74.04 H new ATOM 0 HB2 TRP A 402 -8.365 9.605 -5.377 1.00 44.43 H new ATOM 0 HB3 TRP A 402 -8.533 7.956 -4.809 1.00 44.43 H new ATOM 0 HD1 TRP A 402 -7.769 9.940 -8.050 1.00 21.02 H new ATOM 0 HE1 TRP A 402 -6.617 8.381 -9.756 1.00 5.12 H new ATOM 0 HE3 TRP A 402 -8.296 5.520 -5.529 1.00 23.42 H new ATOM 0 HZ2 TRP A 402 -6.038 5.638 -9.967 1.00 32.52 H new ATOM 0 HZ3 TRP A 402 -7.415 3.466 -6.555 1.00 75.43 H new ATOM 0 HH2 TRP A 402 -6.308 3.524 -8.749 1.00 12.31 H new ATOM 344 N SER A 403 -11.121 6.985 -7.285 1.00 62.44 N ATOM 345 CA SER A 403 -11.587 5.640 -7.697 1.00 14.02 C ATOM 346 C SER A 403 -10.852 5.209 -8.982 1.00 51.32 C ATOM 347 O SER A 403 -10.623 6.028 -9.878 1.00 21.21 O ATOM 348 CB SER A 403 -13.118 5.626 -7.911 1.00 24.54 C ATOM 349 OG SER A 403 -13.520 6.518 -8.944 1.00 11.23 O ATOM 0 H SER A 403 -10.946 7.612 -8.070 1.00 62.44 H new ATOM 0 HA SER A 403 -11.359 4.930 -6.902 1.00 14.02 H new ATOM 0 HB2 SER A 403 -13.440 4.615 -8.160 1.00 24.54 H new ATOM 0 HB3 SER A 403 -13.617 5.900 -6.981 1.00 24.54 H new ATOM 0 HG SER A 403 -14.494 6.479 -9.050 1.00 11.23 H new ATOM 355 N GLY A 404 -10.474 3.925 -9.060 1.00 14.35 N ATOM 356 CA GLY A 404 -9.653 3.422 -10.167 1.00 43.11 C ATOM 357 C GLY A 404 -9.186 1.977 -9.963 1.00 31.51 C ATOM 358 O GLY A 404 -9.917 1.158 -9.410 1.00 14.22 O ATOM 0 H GLY A 404 -10.724 3.217 -8.369 1.00 14.35 H new ATOM 0 HA2 GLY A 404 -10.225 3.485 -11.093 1.00 43.11 H new ATOM 0 HA3 GLY A 404 -8.781 4.066 -10.286 1.00 43.11 H new ATOM 362 N VAL A 405 -7.974 1.668 -10.457 1.00 45.23 N ATOM 363 CA VAL A 405 -7.369 0.318 -10.394 1.00 42.23 C ATOM 364 C VAL A 405 -6.126 0.308 -9.460 1.00 13.23 C ATOM 365 O VAL A 405 -5.324 1.234 -9.480 1.00 73.43 O ATOM 366 CB VAL A 405 -6.955 -0.173 -11.838 1.00 74.25 C ATOM 367 CG1 VAL A 405 -6.271 -1.568 -11.807 1.00 31.21 C ATOM 368 CG2 VAL A 405 -8.169 -0.174 -12.797 1.00 0.24 C ATOM 0 H VAL A 405 -7.377 2.355 -10.918 1.00 45.23 H new ATOM 0 HA VAL A 405 -8.117 -0.363 -9.987 1.00 42.23 H new ATOM 0 HB VAL A 405 -6.221 0.538 -12.218 1.00 74.25 H new ATOM 0 HG11 VAL A 405 -6.004 -1.865 -12.821 1.00 31.21 H new ATOM 0 HG12 VAL A 405 -5.371 -1.518 -11.194 1.00 31.21 H new ATOM 0 HG13 VAL A 405 -6.958 -2.301 -11.384 1.00 31.21 H new ATOM 0 HG21 VAL A 405 -7.854 -0.516 -13.783 1.00 0.24 H new ATOM 0 HG22 VAL A 405 -8.938 -0.842 -12.410 1.00 0.24 H new ATOM 0 HG23 VAL A 405 -8.572 0.836 -12.875 1.00 0.24 H new ATOM 378 N LEU A 406 -6.004 -0.734 -8.620 1.00 51.43 N ATOM 379 CA LEU A 406 -4.778 -1.026 -7.845 1.00 43.22 C ATOM 380 C LEU A 406 -4.079 -2.247 -8.477 1.00 34.20 C ATOM 381 O LEU A 406 -4.630 -3.346 -8.447 1.00 41.41 O ATOM 382 CB LEU A 406 -5.137 -1.336 -6.370 1.00 33.24 C ATOM 383 CG LEU A 406 -3.930 -1.632 -5.424 1.00 40.14 C ATOM 384 CD1 LEU A 406 -3.078 -0.365 -5.182 1.00 74.21 C ATOM 385 CD2 LEU A 406 -4.401 -2.273 -4.101 1.00 12.51 C ATOM 0 H LEU A 406 -6.756 -1.404 -8.456 1.00 51.43 H new ATOM 0 HA LEU A 406 -4.116 -0.160 -7.865 1.00 43.22 H new ATOM 0 HB2 LEU A 406 -5.692 -0.490 -5.965 1.00 33.24 H new ATOM 0 HB3 LEU A 406 -5.808 -2.195 -6.352 1.00 33.24 H new ATOM 0 HG LEU A 406 -3.287 -2.357 -5.922 1.00 40.14 H new ATOM 0 HD11 LEU A 406 -2.247 -0.607 -4.520 1.00 74.21 H new ATOM 0 HD12 LEU A 406 -2.690 -0.000 -6.133 1.00 74.21 H new ATOM 0 HD13 LEU A 406 -3.696 0.407 -4.722 1.00 74.21 H new ATOM 0 HD21 LEU A 406 -3.538 -2.467 -3.464 1.00 12.51 H new ATOM 0 HD22 LEU A 406 -5.084 -1.594 -3.591 1.00 12.51 H new ATOM 0 HD23 LEU A 406 -4.914 -3.211 -4.314 1.00 12.51 H new ATOM 397 N GLU A 407 -2.885 -2.049 -9.056 1.00 24.14 N ATOM 398 CA GLU A 407 -2.111 -3.137 -9.711 1.00 31.21 C ATOM 399 C GLU A 407 -0.868 -3.496 -8.875 1.00 13.22 C ATOM 400 O GLU A 407 -0.263 -2.616 -8.268 1.00 65.54 O ATOM 401 CB GLU A 407 -1.669 -2.685 -11.128 1.00 30.22 C ATOM 402 CG GLU A 407 -0.900 -3.752 -11.938 1.00 62.04 C ATOM 403 CD GLU A 407 -0.346 -3.223 -13.273 1.00 64.12 C ATOM 404 OE1 GLU A 407 0.792 -2.698 -13.292 1.00 41.11 O ATOM 405 OE2 GLU A 407 -1.048 -3.308 -14.307 1.00 74.32 O ATOM 0 H GLU A 407 -2.424 -1.140 -9.088 1.00 24.14 H new ATOM 0 HA GLU A 407 -2.748 -4.018 -9.789 1.00 31.21 H new ATOM 0 HB2 GLU A 407 -2.554 -2.389 -11.692 1.00 30.22 H new ATOM 0 HB3 GLU A 407 -1.041 -1.799 -11.032 1.00 30.22 H new ATOM 0 HG2 GLU A 407 -0.075 -4.130 -11.335 1.00 62.04 H new ATOM 0 HG3 GLU A 407 -1.563 -4.595 -12.136 1.00 62.04 H new ATOM 412 N TRP A 408 -0.486 -4.787 -8.865 1.00 33.11 N ATOM 413 CA TRP A 408 0.751 -5.262 -8.214 1.00 23.44 C ATOM 414 C TRP A 408 1.283 -6.556 -8.875 1.00 42.15 C ATOM 415 O TRP A 408 0.620 -7.167 -9.723 1.00 4.25 O ATOM 416 CB TRP A 408 0.510 -5.497 -6.698 1.00 22.34 C ATOM 417 CG TRP A 408 -0.456 -6.624 -6.360 1.00 61.21 C ATOM 418 CD1 TRP A 408 -0.139 -7.933 -6.161 1.00 53.32 C ATOM 419 CD2 TRP A 408 -1.876 -6.532 -6.173 1.00 15.44 C ATOM 420 NE1 TRP A 408 -1.253 -8.654 -5.845 1.00 42.13 N ATOM 421 CE2 TRP A 408 -2.332 -7.819 -5.847 1.00 4.45 C ATOM 422 CE3 TRP A 408 -2.805 -5.488 -6.253 1.00 63.25 C ATOM 423 CZ2 TRP A 408 -3.666 -8.096 -5.592 1.00 12.10 C ATOM 424 CZ3 TRP A 408 -4.131 -5.764 -5.997 1.00 0.23 C ATOM 425 CH2 TRP A 408 -4.547 -7.063 -5.672 1.00 3.12 C ATOM 0 H TRP A 408 -1.026 -5.531 -9.308 1.00 33.11 H new ATOM 0 HA TRP A 408 1.507 -4.487 -8.340 1.00 23.44 H new ATOM 0 HB2 TRP A 408 1.468 -5.707 -6.223 1.00 22.34 H new ATOM 0 HB3 TRP A 408 0.133 -4.573 -6.259 1.00 22.34 H new ATOM 0 HD1 TRP A 408 0.857 -8.344 -6.242 1.00 53.32 H new ATOM 0 HE1 TRP A 408 -1.276 -9.653 -5.641 1.00 42.13 H new ATOM 0 HE3 TRP A 408 -2.490 -4.488 -6.510 1.00 63.25 H new ATOM 0 HZ2 TRP A 408 -3.993 -9.094 -5.339 1.00 12.10 H new ATOM 0 HZ3 TRP A 408 -4.860 -4.969 -6.047 1.00 0.23 H new ATOM 0 HH2 TRP A 408 -5.594 -7.248 -5.480 1.00 3.12 H new ATOM 436 N GLN A 409 2.495 -6.962 -8.455 1.00 31.22 N ATOM 437 CA GLN A 409 3.064 -8.288 -8.771 1.00 12.14 C ATOM 438 C GLN A 409 2.880 -9.237 -7.562 1.00 5.43 C ATOM 439 O GLN A 409 3.393 -8.979 -6.471 1.00 41.15 O ATOM 440 CB GLN A 409 4.574 -8.162 -9.162 1.00 20.34 C ATOM 441 CG GLN A 409 4.833 -7.883 -10.662 1.00 71.14 C ATOM 442 CD GLN A 409 4.507 -9.087 -11.570 1.00 32.01 C ATOM 443 OE1 GLN A 409 4.640 -10.243 -11.171 1.00 74.44 O ATOM 444 NE2 GLN A 409 4.084 -8.829 -12.793 1.00 61.13 N ATOM 0 H GLN A 409 3.110 -6.380 -7.886 1.00 31.22 H new ATOM 0 HA GLN A 409 2.535 -8.707 -9.627 1.00 12.14 H new ATOM 0 HB2 GLN A 409 5.022 -7.360 -8.575 1.00 20.34 H new ATOM 0 HB3 GLN A 409 5.085 -9.084 -8.884 1.00 20.34 H new ATOM 0 HG2 GLN A 409 4.234 -7.028 -10.974 1.00 71.14 H new ATOM 0 HG3 GLN A 409 5.878 -7.606 -10.798 1.00 71.14 H new ATOM 0 HE21 GLN A 409 3.981 -7.863 -13.104 1.00 61.13 H new ATOM 0 HE22 GLN A 409 3.860 -9.596 -13.428 1.00 61.13 H new ATOM 453 N GLU A 410 2.130 -10.326 -7.794 1.00 65.11 N ATOM 454 CA GLU A 410 1.893 -11.402 -6.815 1.00 73.23 C ATOM 455 C GLU A 410 3.199 -12.219 -6.617 1.00 25.44 C ATOM 456 O GLU A 410 3.950 -12.426 -7.580 1.00 70.45 O ATOM 457 CB GLU A 410 0.713 -12.322 -7.308 1.00 22.43 C ATOM 458 CG GLU A 410 -0.285 -12.779 -6.211 1.00 72.05 C ATOM 459 CD GLU A 410 0.278 -13.861 -5.266 1.00 31.35 C ATOM 460 OE1 GLU A 410 0.911 -13.514 -4.243 1.00 62.42 O ATOM 461 OE2 GLU A 410 0.089 -15.066 -5.544 1.00 70.43 O ATOM 0 H GLU A 410 1.661 -10.488 -8.685 1.00 65.11 H new ATOM 0 HA GLU A 410 1.607 -10.973 -5.855 1.00 73.23 H new ATOM 0 HB2 GLU A 410 0.158 -11.788 -8.079 1.00 22.43 H new ATOM 0 HB3 GLU A 410 1.139 -13.208 -7.778 1.00 22.43 H new ATOM 0 HG2 GLU A 410 -0.582 -11.913 -5.620 1.00 72.05 H new ATOM 0 HG3 GLU A 410 -1.186 -13.162 -6.690 1.00 72.05 H new ATOM 649 N LEU A 423 2.833 -12.975 -12.542 1.00 14.30 N ATOM 650 CA LEU A 423 1.589 -12.798 -11.768 1.00 42.31 C ATOM 651 C LEU A 423 1.256 -11.304 -11.549 1.00 72.21 C ATOM 652 O LEU A 423 1.648 -10.709 -10.556 1.00 43.13 O ATOM 653 CB LEU A 423 1.709 -13.549 -10.420 1.00 11.04 C ATOM 654 CG LEU A 423 2.071 -15.067 -10.487 1.00 33.23 C ATOM 655 CD1 LEU A 423 2.083 -15.689 -9.074 1.00 4.01 C ATOM 656 CD2 LEU A 423 1.140 -15.843 -11.451 1.00 43.23 C ATOM 0 HA LEU A 423 0.763 -13.221 -12.340 1.00 42.31 H new ATOM 0 HB2 LEU A 423 2.465 -13.046 -9.818 1.00 11.04 H new ATOM 0 HB3 LEU A 423 0.762 -13.449 -9.890 1.00 11.04 H new ATOM 0 HG LEU A 423 3.078 -15.150 -10.896 1.00 33.23 H new ATOM 0 HD11 LEU A 423 2.337 -16.747 -9.144 1.00 4.01 H new ATOM 0 HD12 LEU A 423 2.823 -15.178 -8.458 1.00 4.01 H new ATOM 0 HD13 LEU A 423 1.097 -15.582 -8.621 1.00 4.01 H new ATOM 0 HD21 LEU A 423 1.427 -16.894 -11.467 1.00 43.23 H new ATOM 0 HD22 LEU A 423 0.108 -15.754 -11.111 1.00 43.23 H new ATOM 0 HD23 LEU A 423 1.228 -15.428 -12.455 1.00 43.23 H new ATOM 668 N THR A 424 0.570 -10.700 -12.526 1.00 1.41 N ATOM 669 CA THR A 424 0.070 -9.308 -12.434 1.00 53.11 C ATOM 670 C THR A 424 -1.408 -9.332 -11.994 1.00 64.24 C ATOM 671 O THR A 424 -2.295 -9.709 -12.773 1.00 43.23 O ATOM 672 CB THR A 424 0.217 -8.543 -13.797 1.00 14.31 C ATOM 673 OG1 THR A 424 1.583 -8.593 -14.244 1.00 0.25 O ATOM 674 CG2 THR A 424 -0.225 -7.069 -13.688 1.00 12.13 C ATOM 0 H THR A 424 0.341 -11.157 -13.409 1.00 1.41 H new ATOM 0 HA THR A 424 0.672 -8.775 -11.698 1.00 53.11 H new ATOM 0 HB THR A 424 -0.435 -9.039 -14.516 1.00 14.31 H new ATOM 0 HG1 THR A 424 1.666 -8.115 -15.095 1.00 0.25 H new ATOM 0 HG21 THR A 424 -0.105 -6.581 -14.655 1.00 12.13 H new ATOM 0 HG22 THR A 424 -1.271 -7.024 -13.386 1.00 12.13 H new ATOM 0 HG23 THR A 424 0.389 -6.559 -12.946 1.00 12.13 H new ATOM 682 N ARG A 425 -1.650 -8.982 -10.722 1.00 21.41 N ATOM 683 CA ARG A 425 -2.999 -8.969 -10.120 1.00 71.03 C ATOM 684 C ARG A 425 -3.484 -7.519 -9.924 1.00 4.41 C ATOM 685 O ARG A 425 -2.690 -6.631 -9.600 1.00 3.45 O ATOM 686 CB ARG A 425 -2.977 -9.742 -8.772 1.00 12.24 C ATOM 687 CG ARG A 425 -2.590 -11.247 -8.848 1.00 12.20 C ATOM 688 CD ARG A 425 -3.624 -12.117 -9.606 1.00 60.10 C ATOM 689 NE ARG A 425 -3.632 -11.848 -11.064 1.00 43.10 N ATOM 690 CZ ARG A 425 -4.688 -11.908 -11.849 1.00 54.12 C ATOM 691 NH1 ARG A 425 -5.834 -12.293 -11.408 1.00 13.22 N ATOM 692 NH2 ARG A 425 -4.574 -11.582 -13.088 1.00 62.12 N ATOM 0 H ARG A 425 -0.914 -8.698 -10.076 1.00 21.41 H new ATOM 0 HA ARG A 425 -3.700 -9.466 -10.791 1.00 71.03 H new ATOM 0 HB2 ARG A 425 -2.277 -9.242 -8.102 1.00 12.24 H new ATOM 0 HB3 ARG A 425 -3.964 -9.665 -8.317 1.00 12.24 H new ATOM 0 HG2 ARG A 425 -1.621 -11.340 -9.338 1.00 12.20 H new ATOM 0 HG3 ARG A 425 -2.474 -11.635 -7.836 1.00 12.20 H new ATOM 0 HD2 ARG A 425 -3.402 -13.170 -9.435 1.00 60.10 H new ATOM 0 HD3 ARG A 425 -4.618 -11.931 -9.200 1.00 60.10 H new ATOM 0 HE ARG A 425 -2.744 -11.595 -11.496 1.00 43.10 H new ATOM 0 HH11 ARG A 425 -5.940 -12.561 -10.429 1.00 13.22 H new ATOM 0 HH12 ARG A 425 -6.636 -12.330 -12.037 1.00 13.22 H new ATOM 0 HH21 ARG A 425 -3.671 -11.280 -13.455 1.00 62.12 H new ATOM 0 HH22 ARG A 425 -5.386 -11.625 -13.704 1.00 62.12 H new ATOM 706 N SER A 426 -4.796 -7.288 -10.112 1.00 32.42 N ATOM 707 CA SER A 426 -5.385 -5.927 -10.101 1.00 70.02 C ATOM 708 C SER A 426 -6.818 -5.919 -9.518 1.00 3.21 C ATOM 709 O SER A 426 -7.529 -6.932 -9.570 1.00 23.03 O ATOM 710 CB SER A 426 -5.379 -5.323 -11.529 1.00 1.11 C ATOM 711 OG SER A 426 -6.160 -6.089 -12.441 1.00 10.43 O ATOM 0 H SER A 426 -5.477 -8.030 -10.275 1.00 32.42 H new ATOM 0 HA SER A 426 -4.765 -5.310 -9.450 1.00 70.02 H new ATOM 0 HB2 SER A 426 -5.763 -4.304 -11.492 1.00 1.11 H new ATOM 0 HB3 SER A 426 -4.353 -5.264 -11.892 1.00 1.11 H new ATOM 0 HG SER A 426 -6.130 -5.672 -13.328 1.00 10.43 H new ATOM 717 N LEU A 427 -7.236 -4.756 -8.966 1.00 42.24 N ATOM 718 CA LEU A 427 -8.547 -4.581 -8.280 1.00 50.33 C ATOM 719 C LEU A 427 -9.212 -3.224 -8.625 1.00 35.44 C ATOM 720 O LEU A 427 -8.514 -2.269 -8.949 1.00 72.13 O ATOM 721 CB LEU A 427 -8.352 -4.665 -6.737 1.00 53.41 C ATOM 722 CG LEU A 427 -8.015 -6.068 -6.162 1.00 54.23 C ATOM 723 CD1 LEU A 427 -7.747 -5.996 -4.645 1.00 0.50 C ATOM 724 CD2 LEU A 427 -9.134 -7.076 -6.501 1.00 61.44 C ATOM 0 H LEU A 427 -6.673 -3.905 -8.982 1.00 42.24 H new ATOM 0 HA LEU A 427 -9.201 -5.380 -8.629 1.00 50.33 H new ATOM 0 HB2 LEU A 427 -7.553 -3.979 -6.455 1.00 53.41 H new ATOM 0 HB3 LEU A 427 -9.263 -4.308 -6.257 1.00 53.41 H new ATOM 0 HG LEU A 427 -7.098 -6.423 -6.632 1.00 54.23 H new ATOM 0 HD11 LEU A 427 -7.514 -6.992 -4.269 1.00 0.50 H new ATOM 0 HD12 LEU A 427 -6.905 -5.330 -4.455 1.00 0.50 H new ATOM 0 HD13 LEU A 427 -8.633 -5.615 -4.137 1.00 0.50 H new ATOM 0 HD21 LEU A 427 -8.880 -8.053 -6.090 1.00 61.44 H new ATOM 0 HD22 LEU A 427 -10.075 -6.734 -6.069 1.00 61.44 H new ATOM 0 HD23 LEU A 427 -9.238 -7.154 -7.583 1.00 61.44 H new ATOM 736 N PRO A 428 -10.582 -3.124 -8.557 1.00 74.11 N ATOM 737 CA PRO A 428 -11.289 -1.819 -8.542 1.00 4.43 C ATOM 738 C PRO A 428 -11.231 -1.162 -7.129 1.00 5.03 C ATOM 739 O PRO A 428 -12.009 -1.508 -6.247 1.00 31.01 O ATOM 740 CB PRO A 428 -12.734 -2.205 -8.960 1.00 50.44 C ATOM 741 CG PRO A 428 -12.912 -3.613 -8.458 1.00 54.15 C ATOM 742 CD PRO A 428 -11.541 -4.270 -8.537 1.00 12.21 C ATOM 0 HA PRO A 428 -10.849 -1.073 -9.204 1.00 4.43 H new ATOM 0 HB2 PRO A 428 -13.468 -1.531 -8.518 1.00 50.44 H new ATOM 0 HB3 PRO A 428 -12.862 -2.151 -10.041 1.00 50.44 H new ATOM 0 HG2 PRO A 428 -13.287 -3.617 -7.434 1.00 54.15 H new ATOM 0 HG3 PRO A 428 -13.638 -4.154 -9.065 1.00 54.15 H new ATOM 0 HD2 PRO A 428 -11.363 -4.923 -7.682 1.00 12.21 H new ATOM 0 HD3 PRO A 428 -11.445 -4.884 -9.432 1.00 12.21 H new ATOM 750 N CYS A 429 -10.278 -0.230 -6.924 1.00 21.23 N ATOM 751 CA CYS A 429 -9.995 0.375 -5.591 1.00 45.14 C ATOM 752 C CYS A 429 -10.515 1.823 -5.469 1.00 31.40 C ATOM 753 O CYS A 429 -10.501 2.590 -6.434 1.00 73.44 O ATOM 754 CB CYS A 429 -8.472 0.353 -5.327 1.00 51.22 C ATOM 755 SG CYS A 429 -7.491 1.214 -6.574 1.00 51.31 S ATOM 0 H CYS A 429 -9.681 0.128 -7.669 1.00 21.23 H new ATOM 0 HA CYS A 429 -10.524 -0.222 -4.848 1.00 45.14 H new ATOM 0 HB2 CYS A 429 -8.277 0.803 -4.354 1.00 51.22 H new ATOM 0 HB3 CYS A 429 -8.139 -0.684 -5.271 1.00 51.22 H new ATOM 0 HG CYS A 429 -7.949 2.421 -6.729 1.00 51.31 H new ATOM 761 N GLN A 430 -10.959 2.180 -4.248 1.00 5.25 N ATOM 762 CA GLN A 430 -11.488 3.519 -3.900 1.00 0.53 C ATOM 763 C GLN A 430 -10.762 4.092 -2.652 1.00 61.13 C ATOM 764 O GLN A 430 -10.755 3.469 -1.586 1.00 4.52 O ATOM 765 CB GLN A 430 -13.015 3.424 -3.618 1.00 61.53 C ATOM 766 CG GLN A 430 -13.890 3.079 -4.843 1.00 3.11 C ATOM 767 CD GLN A 430 -15.396 3.111 -4.544 1.00 32.03 C ATOM 768 OE1 GLN A 430 -15.832 2.838 -3.429 1.00 45.22 O ATOM 769 NE2 GLN A 430 -16.208 3.453 -5.529 1.00 40.32 N ATOM 0 H GLN A 430 -10.961 1.535 -3.458 1.00 5.25 H new ATOM 0 HA GLN A 430 -11.312 4.188 -4.742 1.00 0.53 H new ATOM 0 HB2 GLN A 430 -13.180 2.669 -2.850 1.00 61.53 H new ATOM 0 HB3 GLN A 430 -13.352 4.376 -3.207 1.00 61.53 H new ATOM 0 HG2 GLN A 430 -13.671 3.783 -5.646 1.00 3.11 H new ATOM 0 HG3 GLN A 430 -13.620 2.087 -5.206 1.00 3.11 H new ATOM 0 HE21 GLN A 430 -15.828 3.677 -6.449 1.00 40.32 H new ATOM 0 HE22 GLN A 430 -17.215 3.493 -5.369 1.00 40.32 H new ATOM 778 N VAL A 431 -10.158 5.289 -2.798 1.00 34.13 N ATOM 779 CA VAL A 431 -9.541 6.040 -1.676 1.00 11.31 C ATOM 780 C VAL A 431 -10.587 6.984 -1.028 1.00 43.44 C ATOM 781 O VAL A 431 -11.128 7.877 -1.691 1.00 23.11 O ATOM 782 CB VAL A 431 -8.293 6.885 -2.150 1.00 12.22 C ATOM 783 CG1 VAL A 431 -7.637 7.658 -0.967 1.00 45.21 C ATOM 784 CG2 VAL A 431 -7.261 5.988 -2.873 1.00 1.51 C ATOM 0 H VAL A 431 -10.082 5.766 -3.696 1.00 34.13 H new ATOM 0 HA VAL A 431 -9.197 5.309 -0.944 1.00 11.31 H new ATOM 0 HB VAL A 431 -8.652 7.629 -2.862 1.00 12.22 H new ATOM 0 HG11 VAL A 431 -6.782 8.227 -1.333 1.00 45.21 H new ATOM 0 HG12 VAL A 431 -8.366 8.340 -0.529 1.00 45.21 H new ATOM 0 HG13 VAL A 431 -7.303 6.949 -0.210 1.00 45.21 H new ATOM 0 HG21 VAL A 431 -6.411 6.593 -3.189 1.00 1.51 H new ATOM 0 HG22 VAL A 431 -6.918 5.208 -2.194 1.00 1.51 H new ATOM 0 HG23 VAL A 431 -7.726 5.530 -3.746 1.00 1.51 H new ATOM 794 N TYR A 432 -10.875 6.757 0.264 1.00 41.35 N ATOM 795 CA TYR A 432 -11.778 7.605 1.077 1.00 44.51 C ATOM 796 C TYR A 432 -10.969 8.487 2.066 1.00 55.22 C ATOM 797 O TYR A 432 -10.258 7.970 2.942 1.00 22.32 O ATOM 798 CB TYR A 432 -12.799 6.716 1.843 1.00 65.21 C ATOM 799 CG TYR A 432 -13.933 6.152 0.974 1.00 50.11 C ATOM 800 CD1 TYR A 432 -13.793 4.964 0.255 1.00 1.31 C ATOM 801 CD2 TYR A 432 -15.156 6.817 0.880 1.00 53.53 C ATOM 802 CE1 TYR A 432 -14.830 4.471 -0.519 1.00 14.34 C ATOM 803 CE2 TYR A 432 -16.190 6.327 0.111 1.00 23.42 C ATOM 804 CZ TYR A 432 -16.025 5.156 -0.588 1.00 31.13 C ATOM 805 OH TYR A 432 -17.060 4.667 -1.354 1.00 73.43 O ATOM 0 H TYR A 432 -10.485 5.971 0.785 1.00 41.35 H new ATOM 0 HA TYR A 432 -12.325 8.269 0.407 1.00 44.51 H new ATOM 0 HB2 TYR A 432 -12.264 5.885 2.303 1.00 65.21 H new ATOM 0 HB3 TYR A 432 -13.236 7.302 2.652 1.00 65.21 H new ATOM 0 HD1 TYR A 432 -12.861 4.421 0.303 1.00 1.31 H new ATOM 0 HD2 TYR A 432 -15.296 7.740 1.424 1.00 53.53 H new ATOM 0 HE1 TYR A 432 -14.703 3.550 -1.069 1.00 14.34 H new ATOM 0 HE2 TYR A 432 -17.127 6.862 0.058 1.00 23.42 H new ATOM 0 HH TYR A 432 -16.703 4.068 -2.042 1.00 73.43 H new ATOM 815 N VAL A 433 -11.089 9.821 1.917 1.00 14.13 N ATOM 816 CA VAL A 433 -10.422 10.821 2.794 1.00 72.44 C ATOM 817 C VAL A 433 -11.453 11.599 3.646 1.00 22.41 C ATOM 818 O VAL A 433 -12.664 11.409 3.498 1.00 55.33 O ATOM 819 CB VAL A 433 -9.562 11.841 1.955 1.00 20.11 C ATOM 820 CG1 VAL A 433 -8.472 11.104 1.141 1.00 50.03 C ATOM 821 CG2 VAL A 433 -10.458 12.732 1.048 1.00 45.34 C ATOM 0 H VAL A 433 -11.654 10.244 1.181 1.00 14.13 H new ATOM 0 HA VAL A 433 -9.760 10.265 3.458 1.00 72.44 H new ATOM 0 HB VAL A 433 -9.057 12.508 2.654 1.00 20.11 H new ATOM 0 HG11 VAL A 433 -7.892 11.829 0.570 1.00 50.03 H new ATOM 0 HG12 VAL A 433 -7.812 10.565 1.821 1.00 50.03 H new ATOM 0 HG13 VAL A 433 -8.943 10.398 0.458 1.00 50.03 H new ATOM 0 HG21 VAL A 433 -9.832 13.423 0.484 1.00 45.34 H new ATOM 0 HG22 VAL A 433 -11.016 12.101 0.356 1.00 45.34 H new ATOM 0 HG23 VAL A 433 -11.155 13.297 1.667 1.00 45.34 H new ATOM 831 N ASN A 434 -10.949 12.475 4.537 1.00 13.44 N ATOM 832 CA ASN A 434 -11.790 13.311 5.425 1.00 61.41 C ATOM 833 C ASN A 434 -12.679 14.288 4.605 1.00 42.04 C ATOM 834 O ASN A 434 -12.258 14.777 3.547 1.00 45.45 O ATOM 835 CB ASN A 434 -10.891 14.105 6.409 1.00 60.45 C ATOM 836 CG ASN A 434 -11.671 14.815 7.522 1.00 41.23 C ATOM 837 OD1 ASN A 434 -12.694 14.324 7.985 1.00 4.51 O ATOM 838 ND2 ASN A 434 -11.209 15.976 7.951 1.00 63.14 N ATOM 0 H ASN A 434 -9.948 12.625 4.664 1.00 13.44 H new ATOM 0 HA ASN A 434 -12.449 12.651 5.989 1.00 61.41 H new ATOM 0 HB2 ASN A 434 -10.171 13.422 6.861 1.00 60.45 H new ATOM 0 HB3 ASN A 434 -10.320 14.845 5.849 1.00 60.45 H new ATOM 0 HD21 ASN A 434 -11.706 16.484 8.683 1.00 63.14 H new ATOM 0 HD22 ASN A 434 -10.355 16.365 7.550 1.00 63.14 H new ATOM 884 N ASN A 438 -7.559 18.593 1.891 1.00 43.11 N ATOM 885 CA ASN A 438 -6.655 19.315 0.952 1.00 52.43 C ATOM 886 C ASN A 438 -6.056 18.368 -0.123 1.00 50.23 C ATOM 887 O ASN A 438 -5.511 18.845 -1.129 1.00 24.23 O ATOM 888 CB ASN A 438 -5.495 19.986 1.735 1.00 74.15 C ATOM 889 CG ASN A 438 -5.960 21.019 2.762 1.00 24.42 C ATOM 890 OD1 ASN A 438 -6.990 21.659 2.608 1.00 64.10 O ATOM 891 ND2 ASN A 438 -5.188 21.206 3.815 1.00 33.15 N ATOM 0 HA ASN A 438 -7.256 20.071 0.447 1.00 52.43 H new ATOM 0 HB2 ASN A 438 -4.919 19.214 2.245 1.00 74.15 H new ATOM 0 HB3 ASN A 438 -4.822 20.469 1.026 1.00 74.15 H new ATOM 0 HD21 ASN A 438 -5.446 21.896 4.521 1.00 33.15 H new ATOM 0 HD22 ASN A 438 -4.333 20.661 3.924 1.00 33.15 H new ATOM 898 N LEU A 439 -6.144 17.039 0.113 1.00 1.10 N ATOM 899 CA LEU A 439 -5.551 16.016 -0.776 1.00 4.43 C ATOM 900 C LEU A 439 -6.190 16.053 -2.191 1.00 1.12 C ATOM 901 O LEU A 439 -7.283 15.513 -2.412 1.00 35.13 O ATOM 902 CB LEU A 439 -5.692 14.598 -0.143 1.00 24.21 C ATOM 903 CG LEU A 439 -4.899 13.454 -0.855 1.00 40.30 C ATOM 904 CD1 LEU A 439 -3.378 13.729 -0.838 1.00 64.12 C ATOM 905 CD2 LEU A 439 -5.231 12.076 -0.240 1.00 2.53 C ATOM 0 H LEU A 439 -6.626 16.648 0.922 1.00 1.10 H new ATOM 0 HA LEU A 439 -4.491 16.244 -0.888 1.00 4.43 H new ATOM 0 HB2 LEU A 439 -5.364 14.650 0.895 1.00 24.21 H new ATOM 0 HB3 LEU A 439 -6.748 14.329 -0.131 1.00 24.21 H new ATOM 0 HG LEU A 439 -5.215 13.433 -1.898 1.00 40.30 H new ATOM 0 HD11 LEU A 439 -2.855 12.915 -1.341 1.00 64.12 H new ATOM 0 HD12 LEU A 439 -3.172 14.666 -1.355 1.00 64.12 H new ATOM 0 HD13 LEU A 439 -3.033 13.800 0.193 1.00 64.12 H new ATOM 0 HD21 LEU A 439 -4.664 11.301 -0.756 1.00 2.53 H new ATOM 0 HD22 LEU A 439 -4.966 12.076 0.817 1.00 2.53 H new ATOM 0 HD23 LEU A 439 -6.297 11.877 -0.347 1.00 2.53 H new ATOM 917 N LYS A 440 -5.500 16.729 -3.132 1.00 60.21 N ATOM 918 CA LYS A 440 -5.969 16.893 -4.524 1.00 72.42 C ATOM 919 C LYS A 440 -5.680 15.625 -5.379 1.00 62.41 C ATOM 920 O LYS A 440 -4.610 15.461 -5.975 1.00 21.41 O ATOM 921 CB LYS A 440 -5.373 18.191 -5.156 1.00 31.51 C ATOM 922 CG LYS A 440 -3.832 18.312 -5.099 1.00 63.11 C ATOM 923 CD LYS A 440 -3.313 19.650 -5.676 1.00 53.44 C ATOM 924 CE LYS A 440 -3.704 19.864 -7.147 1.00 1.13 C ATOM 925 NZ LYS A 440 -3.110 21.106 -7.702 1.00 3.12 N ATOM 0 H LYS A 440 -4.602 17.177 -2.949 1.00 60.21 H new ATOM 0 HA LYS A 440 -7.053 17.009 -4.509 1.00 72.42 H new ATOM 0 HB2 LYS A 440 -5.686 18.243 -6.199 1.00 31.51 H new ATOM 0 HB3 LYS A 440 -5.807 19.053 -4.649 1.00 31.51 H new ATOM 0 HG2 LYS A 440 -3.503 18.216 -4.064 1.00 63.11 H new ATOM 0 HG3 LYS A 440 -3.387 17.486 -5.653 1.00 63.11 H new ATOM 0 HD2 LYS A 440 -3.705 20.473 -5.079 1.00 53.44 H new ATOM 0 HD3 LYS A 440 -2.227 19.681 -5.587 1.00 53.44 H new ATOM 0 HE2 LYS A 440 -3.376 19.009 -7.738 1.00 1.13 H new ATOM 0 HE3 LYS A 440 -4.790 19.912 -7.231 1.00 1.13 H new ATOM 0 HZ1 LYS A 440 -3.868 21.777 -7.940 1.00 3.12 H new ATOM 0 HZ2 LYS A 440 -2.477 21.534 -6.996 1.00 3.12 H new ATOM 0 HZ3 LYS A 440 -2.568 20.878 -8.560 1.00 3.12 H new ATOM 939 N THR A 441 -6.664 14.712 -5.396 1.00 41.14 N ATOM 940 CA THR A 441 -6.621 13.456 -6.195 1.00 62.14 C ATOM 941 C THR A 441 -6.916 13.698 -7.703 1.00 34.11 C ATOM 942 O THR A 441 -6.943 12.750 -8.499 1.00 21.55 O ATOM 943 CB THR A 441 -7.634 12.422 -5.625 1.00 60.34 C ATOM 944 OG1 THR A 441 -8.950 12.996 -5.636 1.00 31.34 O ATOM 945 CG2 THR A 441 -7.268 12.001 -4.190 1.00 73.54 C ATOM 0 H THR A 441 -7.522 14.816 -4.855 1.00 41.14 H new ATOM 0 HA THR A 441 -5.606 13.066 -6.117 1.00 62.14 H new ATOM 0 HB THR A 441 -7.603 11.532 -6.253 1.00 60.34 H new ATOM 0 HG1 THR A 441 -9.619 12.281 -5.602 1.00 31.34 H new ATOM 0 HG21 THR A 441 -7.998 11.278 -3.825 1.00 73.54 H new ATOM 0 HG22 THR A 441 -6.276 11.549 -4.185 1.00 73.54 H new ATOM 0 HG23 THR A 441 -7.270 12.877 -3.542 1.00 73.54 H new ATOM 953 N GLU A 442 -7.144 14.973 -8.062 1.00 64.20 N ATOM 954 CA GLU A 442 -7.300 15.447 -9.454 1.00 71.15 C ATOM 955 C GLU A 442 -6.145 14.968 -10.380 1.00 75.31 C ATOM 956 O GLU A 442 -6.374 14.459 -11.476 1.00 72.34 O ATOM 957 CB GLU A 442 -7.347 17.001 -9.421 1.00 32.21 C ATOM 958 CG GLU A 442 -7.376 17.699 -10.797 1.00 33.12 C ATOM 959 CD GLU A 442 -7.291 19.232 -10.690 1.00 63.42 C ATOM 960 OE1 GLU A 442 -6.186 19.760 -10.435 1.00 74.34 O ATOM 961 OE2 GLU A 442 -8.321 19.922 -10.858 1.00 53.14 O ATOM 0 H GLU A 442 -7.228 15.724 -7.377 1.00 64.20 H new ATOM 0 HA GLU A 442 -8.219 15.030 -9.867 1.00 71.15 H new ATOM 0 HB2 GLU A 442 -8.230 17.308 -8.860 1.00 32.21 H new ATOM 0 HB3 GLU A 442 -6.478 17.361 -8.870 1.00 32.21 H new ATOM 0 HG2 GLU A 442 -6.545 17.335 -11.402 1.00 33.12 H new ATOM 0 HG3 GLU A 442 -8.293 17.426 -11.319 1.00 33.12 H new ATOM 968 N GLN A 443 -4.902 15.125 -9.893 1.00 54.00 N ATOM 969 CA GLN A 443 -3.676 14.861 -10.689 1.00 4.05 C ATOM 970 C GLN A 443 -3.214 13.379 -10.606 1.00 35.32 C ATOM 971 O GLN A 443 -2.180 13.016 -11.179 1.00 10.52 O ATOM 972 CB GLN A 443 -2.547 15.802 -10.205 1.00 3.12 C ATOM 973 CG GLN A 443 -2.930 17.296 -10.185 1.00 24.14 C ATOM 974 CD GLN A 443 -1.807 18.235 -9.718 1.00 44.11 C ATOM 975 OE1 GLN A 443 -1.746 19.387 -10.127 1.00 12.52 O ATOM 976 NE2 GLN A 443 -0.925 17.775 -8.840 1.00 1.02 N ATOM 0 H GLN A 443 -4.712 15.437 -8.941 1.00 54.00 H new ATOM 0 HA GLN A 443 -3.910 15.055 -11.736 1.00 4.05 H new ATOM 0 HB2 GLN A 443 -2.246 15.503 -9.201 1.00 3.12 H new ATOM 0 HB3 GLN A 443 -1.679 15.670 -10.851 1.00 3.12 H new ATOM 0 HG2 GLN A 443 -3.241 17.592 -11.187 1.00 24.14 H new ATOM 0 HG3 GLN A 443 -3.792 17.428 -9.532 1.00 24.14 H new ATOM 0 HE21 GLN A 443 -0.989 16.812 -8.509 1.00 1.02 H new ATOM 0 HE22 GLN A 443 -0.183 18.384 -8.496 1.00 1.02 H new ATOM 985 N TRP A 444 -3.979 12.536 -9.886 1.00 2.42 N ATOM 986 CA TRP A 444 -3.667 11.094 -9.725 1.00 73.13 C ATOM 987 C TRP A 444 -4.091 10.308 -10.991 1.00 22.34 C ATOM 988 O TRP A 444 -5.136 10.608 -11.570 1.00 21.21 O ATOM 989 CB TRP A 444 -4.384 10.513 -8.467 1.00 44.45 C ATOM 990 CG TRP A 444 -3.905 11.060 -7.139 1.00 41.03 C ATOM 991 CD1 TRP A 444 -3.262 12.246 -6.905 1.00 3.35 C ATOM 992 CD2 TRP A 444 -4.057 10.435 -5.855 1.00 43.34 C ATOM 993 NE1 TRP A 444 -3.008 12.392 -5.572 1.00 25.32 N ATOM 994 CE2 TRP A 444 -3.476 11.294 -4.908 1.00 70.42 C ATOM 995 CE3 TRP A 444 -4.613 9.227 -5.416 1.00 33.32 C ATOM 996 CZ2 TRP A 444 -3.446 10.999 -3.554 1.00 42.34 C ATOM 997 CZ3 TRP A 444 -4.584 8.933 -4.062 1.00 5.34 C ATOM 998 CH2 TRP A 444 -3.989 9.815 -3.147 1.00 32.33 C ATOM 0 H TRP A 444 -4.827 12.829 -9.400 1.00 2.42 H new ATOM 0 HA TRP A 444 -2.591 10.989 -9.589 1.00 73.13 H new ATOM 0 HB2 TRP A 444 -5.453 10.706 -8.557 1.00 44.45 H new ATOM 0 HB3 TRP A 444 -4.255 9.431 -8.463 1.00 44.45 H new ATOM 0 HD1 TRP A 444 -2.994 12.963 -7.666 1.00 3.35 H new ATOM 0 HE1 TRP A 444 -2.544 13.192 -5.141 1.00 25.32 H new ATOM 0 HE3 TRP A 444 -5.056 8.537 -6.119 1.00 33.32 H new ATOM 0 HZ2 TRP A 444 -3.007 11.684 -2.844 1.00 42.34 H new ATOM 0 HZ3 TRP A 444 -5.025 8.013 -3.707 1.00 5.34 H new ATOM 0 HH2 TRP A 444 -3.960 9.552 -2.100 1.00 32.33 H new ATOM 1009 N PRO A 445 -3.282 9.291 -11.450 1.00 24.53 N ATOM 1010 CA PRO A 445 -3.663 8.416 -12.606 1.00 70.00 C ATOM 1011 C PRO A 445 -4.938 7.572 -12.328 1.00 62.40 C ATOM 1012 O PRO A 445 -5.436 7.541 -11.202 1.00 24.10 O ATOM 1013 CB PRO A 445 -2.414 7.507 -12.795 1.00 33.21 C ATOM 1014 CG PRO A 445 -1.697 7.550 -11.476 1.00 32.23 C ATOM 1015 CD PRO A 445 -1.947 8.932 -10.909 1.00 33.13 C ATOM 0 HA PRO A 445 -3.916 8.997 -13.493 1.00 70.00 H new ATOM 0 HB2 PRO A 445 -2.703 6.488 -13.054 1.00 33.21 H new ATOM 0 HB3 PRO A 445 -1.778 7.873 -13.602 1.00 33.21 H new ATOM 0 HG2 PRO A 445 -2.072 6.779 -10.803 1.00 32.23 H new ATOM 0 HG3 PRO A 445 -0.630 7.369 -11.606 1.00 32.23 H new ATOM 0 HD2 PRO A 445 -1.944 8.925 -9.819 1.00 33.13 H new ATOM 0 HD3 PRO A 445 -1.182 9.640 -11.226 1.00 33.13 H new ATOM 1023 N GLN A 446 -5.454 6.881 -13.366 1.00 21.30 N ATOM 1024 CA GLN A 446 -6.632 5.986 -13.215 1.00 43.33 C ATOM 1025 C GLN A 446 -6.230 4.628 -12.584 1.00 11.43 C ATOM 1026 O GLN A 446 -7.091 3.810 -12.248 1.00 32.12 O ATOM 1027 CB GLN A 446 -7.337 5.758 -14.580 1.00 51.13 C ATOM 1028 CG GLN A 446 -6.541 4.934 -15.615 1.00 5.54 C ATOM 1029 CD GLN A 446 -7.349 4.610 -16.877 1.00 11.30 C ATOM 1030 OE1 GLN A 446 -7.327 5.353 -17.852 1.00 33.41 O ATOM 1031 NE2 GLN A 446 -8.100 3.523 -16.844 1.00 61.35 N ATOM 0 H GLN A 446 -5.080 6.922 -14.314 1.00 21.30 H new ATOM 0 HA GLN A 446 -7.333 6.480 -12.542 1.00 43.33 H new ATOM 0 HB2 GLN A 446 -8.288 5.257 -14.398 1.00 51.13 H new ATOM 0 HB3 GLN A 446 -7.567 6.730 -15.016 1.00 51.13 H new ATOM 0 HG2 GLN A 446 -5.644 5.485 -15.897 1.00 5.54 H new ATOM 0 HG3 GLN A 446 -6.211 4.003 -15.153 1.00 5.54 H new ATOM 0 HE21 GLN A 446 -8.096 2.925 -16.018 1.00 61.35 H new ATOM 0 HE22 GLN A 446 -8.684 3.282 -17.645 1.00 61.35 H new ATOM 1040 N LYS A 447 -4.912 4.398 -12.458 1.00 75.53 N ATOM 1041 CA LYS A 447 -4.342 3.195 -11.830 1.00 44.20 C ATOM 1042 C LYS A 447 -3.113 3.555 -10.972 1.00 34.45 C ATOM 1043 O LYS A 447 -2.183 4.215 -11.449 1.00 51.24 O ATOM 1044 CB LYS A 447 -3.948 2.164 -12.917 1.00 24.41 C ATOM 1045 CG LYS A 447 -3.306 0.861 -12.377 1.00 4.43 C ATOM 1046 CD LYS A 447 -2.946 -0.139 -13.496 1.00 74.43 C ATOM 1047 CE LYS A 447 -1.882 0.397 -14.465 1.00 31.51 C ATOM 1048 NZ LYS A 447 -1.527 -0.602 -15.502 1.00 43.50 N ATOM 0 H LYS A 447 -4.204 5.051 -12.794 1.00 75.53 H new ATOM 0 HA LYS A 447 -5.098 2.756 -11.179 1.00 44.20 H new ATOM 0 HB2 LYS A 447 -4.838 1.903 -13.490 1.00 24.41 H new ATOM 0 HB3 LYS A 447 -3.251 2.636 -13.609 1.00 24.41 H new ATOM 0 HG2 LYS A 447 -2.405 1.111 -11.816 1.00 4.43 H new ATOM 0 HG3 LYS A 447 -3.994 0.385 -11.679 1.00 4.43 H new ATOM 0 HD2 LYS A 447 -2.586 -1.064 -13.046 1.00 74.43 H new ATOM 0 HD3 LYS A 447 -3.847 -0.387 -14.057 1.00 74.43 H new ATOM 0 HE2 LYS A 447 -2.251 1.303 -14.945 1.00 31.51 H new ATOM 0 HE3 LYS A 447 -0.988 0.674 -13.906 1.00 31.51 H new ATOM 0 HZ1 LYS A 447 -0.664 -0.298 -15.996 1.00 43.50 H new ATOM 0 HZ2 LYS A 447 -1.362 -1.525 -15.053 1.00 43.50 H new ATOM 0 HZ3 LYS A 447 -2.306 -0.684 -16.186 1.00 43.50 H new ATOM 1062 N LEU A 448 -3.121 3.115 -9.700 1.00 64.53 N ATOM 1063 CA LEU A 448 -1.966 3.228 -8.792 1.00 32.30 C ATOM 1064 C LEU A 448 -1.186 1.895 -8.772 1.00 4.40 C ATOM 1065 O LEU A 448 -1.761 0.824 -8.530 1.00 20.40 O ATOM 1066 CB LEU A 448 -2.429 3.604 -7.359 1.00 35.54 C ATOM 1067 CG LEU A 448 -3.254 4.921 -7.223 1.00 44.13 C ATOM 1068 CD1 LEU A 448 -3.581 5.236 -5.743 1.00 53.22 C ATOM 1069 CD2 LEU A 448 -2.560 6.111 -7.929 1.00 22.12 C ATOM 0 H LEU A 448 -3.933 2.669 -9.272 1.00 64.53 H new ATOM 0 HA LEU A 448 -1.311 4.020 -9.155 1.00 32.30 H new ATOM 0 HB2 LEU A 448 -3.028 2.783 -6.966 1.00 35.54 H new ATOM 0 HB3 LEU A 448 -1.546 3.686 -6.725 1.00 35.54 H new ATOM 0 HG LEU A 448 -4.203 4.762 -7.735 1.00 44.13 H new ATOM 0 HD11 LEU A 448 -4.156 6.160 -5.686 1.00 53.22 H new ATOM 0 HD12 LEU A 448 -4.164 4.419 -5.317 1.00 53.22 H new ATOM 0 HD13 LEU A 448 -2.654 5.351 -5.182 1.00 53.22 H new ATOM 0 HD21 LEU A 448 -3.167 7.009 -7.811 1.00 22.12 H new ATOM 0 HD22 LEU A 448 -1.578 6.276 -7.485 1.00 22.12 H new ATOM 0 HD23 LEU A 448 -2.445 5.888 -8.990 1.00 22.12 H new ATOM 1081 N ILE A 449 0.123 1.978 -9.058 1.00 44.40 N ATOM 1082 CA ILE A 449 1.028 0.811 -9.110 1.00 73.52 C ATOM 1083 C ILE A 449 1.573 0.534 -7.687 1.00 20.21 C ATOM 1084 O ILE A 449 1.952 1.459 -6.967 1.00 24.02 O ATOM 1085 CB ILE A 449 2.212 1.024 -10.153 1.00 31.32 C ATOM 1086 CG1 ILE A 449 1.683 1.069 -11.642 1.00 42.54 C ATOM 1087 CG2 ILE A 449 3.320 -0.065 -10.001 1.00 20.12 C ATOM 1088 CD1 ILE A 449 0.822 2.269 -12.028 1.00 12.22 C ATOM 0 H ILE A 449 0.590 2.862 -9.262 1.00 44.40 H new ATOM 0 HA ILE A 449 0.466 -0.056 -9.458 1.00 73.52 H new ATOM 0 HB ILE A 449 2.656 1.993 -9.924 1.00 31.32 H new ATOM 0 HG12 ILE A 449 2.544 1.039 -12.310 1.00 42.54 H new ATOM 0 HG13 ILE A 449 1.106 0.163 -11.825 1.00 42.54 H new ATOM 0 HG21 ILE A 449 4.110 0.115 -10.730 1.00 20.12 H new ATOM 0 HG22 ILE A 449 3.738 -0.021 -8.995 1.00 20.12 H new ATOM 0 HG23 ILE A 449 2.887 -1.051 -10.171 1.00 20.12 H new ATOM 0 HD11 ILE A 449 0.523 2.182 -13.073 1.00 12.22 H new ATOM 0 HD12 ILE A 449 -0.067 2.297 -11.398 1.00 12.22 H new ATOM 0 HD13 ILE A 449 1.394 3.187 -11.890 1.00 12.22 H new ATOM 1100 N MET A 450 1.596 -0.748 -7.297 1.00 4.14 N ATOM 1101 CA MET A 450 1.940 -1.183 -5.930 1.00 10.33 C ATOM 1102 C MET A 450 2.921 -2.377 -5.969 1.00 12.51 C ATOM 1103 O MET A 450 2.948 -3.142 -6.940 1.00 30.22 O ATOM 1104 CB MET A 450 0.619 -1.528 -5.169 1.00 72.33 C ATOM 1105 CG MET A 450 0.784 -1.878 -3.681 1.00 44.10 C ATOM 1106 SD MET A 450 1.044 -3.639 -3.377 1.00 73.33 S ATOM 1107 CE MET A 450 -0.637 -4.263 -3.475 1.00 40.44 C ATOM 0 H MET A 450 1.375 -1.521 -7.924 1.00 4.14 H new ATOM 0 HA MET A 450 2.450 -0.381 -5.396 1.00 10.33 H new ATOM 0 HB2 MET A 450 -0.059 -0.679 -5.251 1.00 72.33 H new ATOM 0 HB3 MET A 450 0.140 -2.369 -5.671 1.00 72.33 H new ATOM 0 HG2 MET A 450 1.628 -1.320 -3.276 1.00 44.10 H new ATOM 0 HG3 MET A 450 -0.103 -1.551 -3.139 1.00 44.10 H new ATOM 0 HE1 MET A 450 -0.617 -5.348 -3.575 1.00 40.44 H new ATOM 0 HE2 MET A 450 -1.179 -3.992 -2.569 1.00 40.44 H new ATOM 0 HE3 MET A 450 -1.137 -3.828 -4.341 1.00 40.44 H new ATOM 1117 N GLN A 451 3.754 -2.502 -4.920 1.00 22.01 N ATOM 1118 CA GLN A 451 4.756 -3.580 -4.797 1.00 42.32 C ATOM 1119 C GLN A 451 4.624 -4.294 -3.434 1.00 13.42 C ATOM 1120 O GLN A 451 4.695 -3.650 -2.375 1.00 2.15 O ATOM 1121 CB GLN A 451 6.183 -2.996 -4.976 1.00 43.11 C ATOM 1122 CG GLN A 451 7.322 -4.034 -4.897 1.00 24.21 C ATOM 1123 CD GLN A 451 8.708 -3.443 -5.193 1.00 64.52 C ATOM 1124 OE1 GLN A 451 9.159 -3.431 -6.330 1.00 22.30 O ATOM 1125 NE2 GLN A 451 9.385 -2.937 -4.179 1.00 73.21 N ATOM 0 H GLN A 451 3.752 -1.857 -4.130 1.00 22.01 H new ATOM 0 HA GLN A 451 4.578 -4.317 -5.580 1.00 42.32 H new ATOM 0 HB2 GLN A 451 6.236 -2.492 -5.941 1.00 43.11 H new ATOM 0 HB3 GLN A 451 6.348 -2.237 -4.211 1.00 43.11 H new ATOM 0 HG2 GLN A 451 7.330 -4.479 -3.902 1.00 24.21 H new ATOM 0 HG3 GLN A 451 7.120 -4.839 -5.604 1.00 24.21 H new ATOM 0 HE21 GLN A 451 8.988 -2.958 -3.240 1.00 73.21 H new ATOM 0 HE22 GLN A 451 10.305 -2.525 -4.335 1.00 73.21 H new ATOM 1134 N LEU A 452 4.419 -5.625 -3.474 1.00 62.41 N ATOM 1135 CA LEU A 452 4.358 -6.471 -2.272 1.00 70.44 C ATOM 1136 C LEU A 452 5.772 -6.717 -1.705 1.00 54.23 C ATOM 1137 O LEU A 452 6.611 -7.366 -2.345 1.00 0.44 O ATOM 1138 CB LEU A 452 3.677 -7.820 -2.594 1.00 43.11 C ATOM 1139 CG LEU A 452 2.193 -7.746 -3.057 1.00 44.42 C ATOM 1140 CD1 LEU A 452 1.699 -9.136 -3.497 1.00 5.33 C ATOM 1141 CD2 LEU A 452 1.291 -7.142 -1.946 1.00 65.45 C ATOM 0 H LEU A 452 4.291 -6.142 -4.344 1.00 62.41 H new ATOM 0 HA LEU A 452 3.767 -5.948 -1.520 1.00 70.44 H new ATOM 0 HB2 LEU A 452 4.255 -8.318 -3.373 1.00 43.11 H new ATOM 0 HB3 LEU A 452 3.728 -8.450 -1.706 1.00 43.11 H new ATOM 0 HG LEU A 452 2.131 -7.081 -3.918 1.00 44.42 H new ATOM 0 HD11 LEU A 452 0.660 -9.068 -3.818 1.00 5.33 H new ATOM 0 HD12 LEU A 452 2.311 -9.495 -4.324 1.00 5.33 H new ATOM 0 HD13 LEU A 452 1.776 -9.831 -2.661 1.00 5.33 H new ATOM 0 HD21 LEU A 452 0.260 -7.102 -2.296 1.00 65.45 H new ATOM 0 HD22 LEU A 452 1.347 -7.765 -1.053 1.00 65.45 H new ATOM 0 HD23 LEU A 452 1.632 -6.135 -1.708 1.00 65.45 H new ATOM 1153 N ILE A 453 6.028 -6.170 -0.514 1.00 63.30 N ATOM 1154 CA ILE A 453 7.306 -6.329 0.213 1.00 74.22 C ATOM 1155 C ILE A 453 7.040 -6.949 1.614 1.00 53.00 C ATOM 1156 O ILE A 453 5.968 -6.722 2.187 1.00 74.25 O ATOM 1157 CB ILE A 453 8.075 -4.954 0.356 1.00 22.50 C ATOM 1158 CG1 ILE A 453 7.223 -3.882 1.118 1.00 42.42 C ATOM 1159 CG2 ILE A 453 8.534 -4.429 -1.031 1.00 72.13 C ATOM 1160 CD1 ILE A 453 7.948 -2.565 1.377 1.00 32.55 C ATOM 0 H ILE A 453 5.349 -5.595 -0.014 1.00 63.30 H new ATOM 0 HA ILE A 453 7.942 -6.999 -0.366 1.00 74.22 H new ATOM 0 HB ILE A 453 8.964 -5.139 0.959 1.00 22.50 H new ATOM 0 HG12 ILE A 453 6.320 -3.678 0.543 1.00 42.42 H new ATOM 0 HG13 ILE A 453 6.905 -4.301 2.073 1.00 42.42 H new ATOM 0 HG21 ILE A 453 9.060 -3.483 -0.906 1.00 72.13 H new ATOM 0 HG22 ILE A 453 9.201 -5.157 -1.493 1.00 72.13 H new ATOM 0 HG23 ILE A 453 7.663 -4.278 -1.669 1.00 72.13 H new ATOM 0 HD11 ILE A 453 7.284 -1.883 1.908 1.00 32.55 H new ATOM 0 HD12 ILE A 453 8.836 -2.751 1.981 1.00 32.55 H new ATOM 0 HD13 ILE A 453 8.242 -2.119 0.427 1.00 32.55 H new ATOM 1172 N PRO A 454 7.997 -7.756 2.179 1.00 50.41 N ATOM 1173 CA PRO A 454 7.822 -8.381 3.517 1.00 52.43 C ATOM 1174 C PRO A 454 7.730 -7.324 4.655 1.00 64.12 C ATOM 1175 O PRO A 454 8.641 -6.507 4.854 1.00 52.04 O ATOM 1176 CB PRO A 454 9.069 -9.298 3.657 1.00 55.12 C ATOM 1177 CG PRO A 454 10.087 -8.685 2.743 1.00 3.13 C ATOM 1178 CD PRO A 454 9.306 -8.127 1.572 1.00 55.12 C ATOM 0 HA PRO A 454 6.887 -8.935 3.602 1.00 52.43 H new ATOM 0 HB2 PRO A 454 9.426 -9.328 4.686 1.00 55.12 H new ATOM 0 HB3 PRO A 454 8.842 -10.324 3.368 1.00 55.12 H new ATOM 0 HG2 PRO A 454 10.646 -7.899 3.251 1.00 3.13 H new ATOM 0 HG3 PRO A 454 10.812 -9.428 2.411 1.00 3.13 H new ATOM 0 HD2 PRO A 454 9.804 -7.264 1.131 1.00 55.12 H new ATOM 0 HD3 PRO A 454 9.187 -8.866 0.779 1.00 55.12 H new ATOM 1186 N GLN A 455 6.608 -7.369 5.397 1.00 4.45 N ATOM 1187 CA GLN A 455 6.282 -6.418 6.485 1.00 32.40 C ATOM 1188 C GLN A 455 7.271 -6.540 7.687 1.00 53.44 C ATOM 1189 O GLN A 455 7.340 -5.649 8.544 1.00 23.11 O ATOM 1190 CB GLN A 455 4.812 -6.662 6.924 1.00 71.40 C ATOM 1191 CG GLN A 455 4.196 -5.580 7.833 1.00 60.44 C ATOM 1192 CD GLN A 455 2.730 -5.846 8.199 1.00 4.31 C ATOM 1193 OE1 GLN A 455 2.293 -6.991 8.288 1.00 43.22 O ATOM 1194 NE2 GLN A 455 1.962 -4.795 8.429 1.00 51.41 N ATOM 0 H GLN A 455 5.888 -8.078 5.258 1.00 4.45 H new ATOM 0 HA GLN A 455 6.390 -5.398 6.115 1.00 32.40 H new ATOM 0 HB2 GLN A 455 4.196 -6.753 6.030 1.00 71.40 H new ATOM 0 HB3 GLN A 455 4.762 -7.619 7.444 1.00 71.40 H new ATOM 0 HG2 GLN A 455 4.783 -5.509 8.749 1.00 60.44 H new ATOM 0 HG3 GLN A 455 4.267 -4.614 7.333 1.00 60.44 H new ATOM 0 HE21 GLN A 455 2.348 -3.854 8.349 1.00 51.41 H new ATOM 0 HE22 GLN A 455 0.984 -4.925 8.687 1.00 51.41 H new ATOM 1203 N GLN A 456 8.041 -7.653 7.723 1.00 64.53 N ATOM 1204 CA GLN A 456 9.147 -7.863 8.692 1.00 33.31 C ATOM 1205 C GLN A 456 10.217 -6.735 8.596 1.00 63.12 C ATOM 1206 O GLN A 456 10.739 -6.271 9.616 1.00 23.54 O ATOM 1207 CB GLN A 456 9.810 -9.250 8.452 1.00 44.14 C ATOM 1208 CG GLN A 456 10.933 -9.617 9.451 1.00 43.14 C ATOM 1209 CD GLN A 456 11.602 -10.965 9.152 1.00 43.42 C ATOM 1210 OE1 GLN A 456 11.178 -12.008 9.639 1.00 21.42 O ATOM 1211 NE2 GLN A 456 12.650 -10.957 8.345 1.00 24.54 N ATOM 0 H GLN A 456 7.914 -8.434 7.079 1.00 64.53 H new ATOM 0 HA GLN A 456 8.721 -7.833 9.695 1.00 33.31 H new ATOM 0 HB2 GLN A 456 9.038 -10.018 8.497 1.00 44.14 H new ATOM 0 HB3 GLN A 456 10.221 -9.270 7.443 1.00 44.14 H new ATOM 0 HG2 GLN A 456 11.691 -8.834 9.438 1.00 43.14 H new ATOM 0 HG3 GLN A 456 10.518 -9.642 10.459 1.00 43.14 H new ATOM 0 HE21 GLN A 456 12.984 -10.077 7.952 1.00 24.54 H new ATOM 0 HE22 GLN A 456 13.124 -11.831 8.116 1.00 24.54 H new ATOM 1220 N LEU A 457 10.519 -6.292 7.356 1.00 42.13 N ATOM 1221 CA LEU A 457 11.494 -5.198 7.092 1.00 60.31 C ATOM 1222 C LEU A 457 10.931 -3.803 7.480 1.00 24.05 C ATOM 1223 O LEU A 457 11.698 -2.876 7.756 1.00 71.42 O ATOM 1224 CB LEU A 457 11.924 -5.213 5.593 1.00 40.03 C ATOM 1225 CG LEU A 457 12.605 -6.530 5.098 1.00 14.21 C ATOM 1226 CD1 LEU A 457 12.982 -6.449 3.602 1.00 32.31 C ATOM 1227 CD2 LEU A 457 13.828 -6.893 5.975 1.00 73.13 C ATOM 0 H LEU A 457 10.099 -6.677 6.510 1.00 42.13 H new ATOM 0 HA LEU A 457 12.366 -5.379 7.720 1.00 60.31 H new ATOM 0 HB2 LEU A 457 11.043 -5.028 4.979 1.00 40.03 H new ATOM 0 HB3 LEU A 457 12.611 -4.384 5.422 1.00 40.03 H new ATOM 0 HG LEU A 457 11.877 -7.334 5.202 1.00 14.21 H new ATOM 0 HD11 LEU A 457 13.453 -7.383 3.294 1.00 32.31 H new ATOM 0 HD12 LEU A 457 12.083 -6.283 3.009 1.00 32.31 H new ATOM 0 HD13 LEU A 457 13.677 -5.624 3.446 1.00 32.31 H new ATOM 0 HD21 LEU A 457 14.280 -7.813 5.606 1.00 73.13 H new ATOM 0 HD22 LEU A 457 14.560 -6.086 5.931 1.00 73.13 H new ATOM 0 HD23 LEU A 457 13.506 -7.035 7.007 1.00 73.13 H new ATOM 1239 N LEU A 458 9.589 -3.672 7.514 1.00 71.33 N ATOM 1240 CA LEU A 458 8.903 -2.394 7.875 1.00 21.11 C ATOM 1241 C LEU A 458 9.027 -2.028 9.371 1.00 20.13 C ATOM 1242 O LEU A 458 8.792 -0.874 9.743 1.00 62.41 O ATOM 1243 CB LEU A 458 7.404 -2.439 7.508 1.00 70.01 C ATOM 1244 CG LEU A 458 7.054 -2.609 6.006 1.00 50.14 C ATOM 1245 CD1 LEU A 458 5.545 -2.410 5.790 1.00 54.44 C ATOM 1246 CD2 LEU A 458 7.884 -1.663 5.112 1.00 0.31 C ATOM 0 H LEU A 458 8.948 -4.435 7.296 1.00 71.33 H new ATOM 0 HA LEU A 458 9.415 -1.626 7.295 1.00 21.11 H new ATOM 0 HB2 LEU A 458 6.944 -3.260 8.058 1.00 70.01 H new ATOM 0 HB3 LEU A 458 6.940 -1.518 7.862 1.00 70.01 H new ATOM 0 HG LEU A 458 7.314 -3.625 5.710 1.00 50.14 H new ATOM 0 HD11 LEU A 458 5.310 -2.531 4.733 1.00 54.44 H new ATOM 0 HD12 LEU A 458 4.994 -3.149 6.372 1.00 54.44 H new ATOM 0 HD13 LEU A 458 5.260 -1.408 6.112 1.00 54.44 H new ATOM 0 HD21 LEU A 458 7.608 -1.814 4.068 1.00 0.31 H new ATOM 0 HD22 LEU A 458 7.686 -0.629 5.394 1.00 0.31 H new ATOM 0 HD23 LEU A 458 8.945 -1.877 5.242 1.00 0.31 H new ATOM 1258 N THR A 459 9.353 -3.014 10.220 1.00 60.43 N ATOM 1259 CA THR A 459 9.507 -2.804 11.689 1.00 52.34 C ATOM 1260 C THR A 459 10.655 -1.812 12.036 1.00 4.41 C ATOM 1261 O THR A 459 10.697 -1.261 13.140 1.00 63.24 O ATOM 1262 CB THR A 459 9.751 -4.155 12.436 1.00 41.25 C ATOM 1263 OG1 THR A 459 10.981 -4.752 11.982 1.00 55.10 O ATOM 1264 CG2 THR A 459 8.585 -5.145 12.226 1.00 75.55 C ATOM 0 H THR A 459 9.519 -3.976 9.923 1.00 60.43 H new ATOM 0 HA THR A 459 8.567 -2.367 12.026 1.00 52.34 H new ATOM 0 HB THR A 459 9.817 -3.936 13.502 1.00 41.25 H new ATOM 0 HG1 THR A 459 10.814 -5.261 11.161 1.00 55.10 H new ATOM 0 HG21 THR A 459 8.793 -6.071 12.761 1.00 75.55 H new ATOM 0 HG22 THR A 459 7.662 -4.706 12.606 1.00 75.55 H new ATOM 0 HG23 THR A 459 8.475 -5.357 11.163 1.00 75.55 H new ATOM 1272 N THR A 460 11.576 -1.609 11.074 1.00 32.05 N ATOM 1273 CA THR A 460 12.678 -0.620 11.182 1.00 70.32 C ATOM 1274 C THR A 460 12.212 0.814 10.807 1.00 40.33 C ATOM 1275 O THR A 460 12.811 1.801 11.243 1.00 61.33 O ATOM 1276 CB THR A 460 13.874 -1.010 10.248 1.00 21.03 C ATOM 1277 OG1 THR A 460 13.457 -0.968 8.873 1.00 24.13 O ATOM 1278 CG2 THR A 460 14.422 -2.413 10.558 1.00 54.15 C ATOM 0 H THR A 460 11.581 -2.126 10.195 1.00 32.05 H new ATOM 0 HA THR A 460 12.997 -0.629 12.224 1.00 70.32 H new ATOM 0 HB THR A 460 14.669 -0.287 10.429 1.00 21.03 H new ATOM 0 HG1 THR A 460 12.852 -1.717 8.692 1.00 24.13 H new ATOM 0 HG21 THR A 460 15.249 -2.637 9.885 1.00 54.15 H new ATOM 0 HG22 THR A 460 14.774 -2.446 11.589 1.00 54.15 H new ATOM 0 HG23 THR A 460 13.632 -3.151 10.420 1.00 54.15 H new ATOM 1286 N LEU A 461 11.132 0.915 10.000 1.00 73.31 N ATOM 1287 CA LEU A 461 10.622 2.213 9.468 1.00 15.34 C ATOM 1288 C LEU A 461 9.540 2.847 10.393 1.00 43.12 C ATOM 1289 O LEU A 461 8.708 3.631 9.923 1.00 71.14 O ATOM 1290 CB LEU A 461 10.027 2.017 8.039 1.00 50.15 C ATOM 1291 CG LEU A 461 10.922 1.293 6.972 1.00 10.04 C ATOM 1292 CD1 LEU A 461 10.199 1.210 5.608 1.00 24.42 C ATOM 1293 CD2 LEU A 461 12.313 1.954 6.828 1.00 44.21 C ATOM 0 H LEU A 461 10.587 0.108 9.697 1.00 73.31 H new ATOM 0 HA LEU A 461 11.472 2.894 9.428 1.00 15.34 H new ATOM 0 HB2 LEU A 461 9.098 1.454 8.136 1.00 50.15 H new ATOM 0 HB3 LEU A 461 9.765 3.000 7.647 1.00 50.15 H new ATOM 0 HG LEU A 461 11.090 0.278 7.331 1.00 10.04 H new ATOM 0 HD11 LEU A 461 10.840 0.704 4.886 1.00 24.42 H new ATOM 0 HD12 LEU A 461 9.270 0.651 5.722 1.00 24.42 H new ATOM 0 HD13 LEU A 461 9.976 2.216 5.253 1.00 24.42 H new ATOM 0 HD21 LEU A 461 12.895 1.418 6.079 1.00 44.21 H new ATOM 0 HD22 LEU A 461 12.192 2.992 6.519 1.00 44.21 H new ATOM 0 HD23 LEU A 461 12.833 1.919 7.785 1.00 44.21 H new ATOM 1305 N GLY A 462 9.581 2.528 11.705 1.00 50.12 N ATOM 1306 CA GLY A 462 8.640 3.097 12.704 1.00 22.05 C ATOM 1307 C GLY A 462 8.509 4.642 12.656 1.00 74.24 C ATOM 1308 O GLY A 462 7.383 5.155 12.605 1.00 41.35 O ATOM 0 H GLY A 462 10.258 1.876 12.102 1.00 50.12 H new ATOM 0 HA2 GLY A 462 7.655 2.656 12.549 1.00 22.05 H new ATOM 0 HA3 GLY A 462 8.967 2.803 13.701 1.00 22.05 H new ATOM 1312 N PRO A 463 9.652 5.418 12.690 1.00 51.15 N ATOM 1313 CA PRO A 463 9.661 6.891 12.423 1.00 64.21 C ATOM 1314 C PRO A 463 8.917 7.324 11.119 1.00 71.31 C ATOM 1315 O PRO A 463 8.203 8.333 11.117 1.00 63.21 O ATOM 1316 CB PRO A 463 11.170 7.212 12.323 1.00 52.53 C ATOM 1317 CG PRO A 463 11.819 6.212 13.228 1.00 3.43 C ATOM 1318 CD PRO A 463 11.016 4.938 13.070 1.00 64.12 C ATOM 0 HA PRO A 463 9.126 7.432 13.204 1.00 64.21 H new ATOM 0 HB2 PRO A 463 11.531 7.115 11.299 1.00 52.53 H new ATOM 0 HB3 PRO A 463 11.382 8.233 12.641 1.00 52.53 H new ATOM 0 HG2 PRO A 463 12.862 6.054 12.954 1.00 3.43 H new ATOM 0 HG3 PRO A 463 11.810 6.555 14.262 1.00 3.43 H new ATOM 0 HD2 PRO A 463 11.440 4.291 12.302 1.00 64.12 H new ATOM 0 HD3 PRO A 463 10.994 4.362 13.995 1.00 64.12 H new ATOM 1326 N LEU A 464 9.084 6.550 10.021 1.00 1.40 N ATOM 1327 CA LEU A 464 8.438 6.846 8.711 1.00 3.10 C ATOM 1328 C LEU A 464 6.893 6.675 8.754 1.00 65.12 C ATOM 1329 O LEU A 464 6.164 7.358 8.019 1.00 60.22 O ATOM 1330 CB LEU A 464 9.065 5.985 7.578 1.00 30.24 C ATOM 1331 CG LEU A 464 10.554 6.311 7.224 1.00 13.32 C ATOM 1332 CD1 LEU A 464 11.088 5.371 6.119 1.00 5.02 C ATOM 1333 CD2 LEU A 464 10.719 7.802 6.828 1.00 50.34 C ATOM 0 H LEU A 464 9.663 5.710 10.012 1.00 1.40 H new ATOM 0 HA LEU A 464 8.629 7.897 8.494 1.00 3.10 H new ATOM 0 HB2 LEU A 464 9.000 4.936 7.866 1.00 30.24 H new ATOM 0 HB3 LEU A 464 8.462 6.106 6.678 1.00 30.24 H new ATOM 0 HG LEU A 464 11.154 6.137 8.117 1.00 13.32 H new ATOM 0 HD11 LEU A 464 12.125 5.624 5.896 1.00 5.02 H new ATOM 0 HD12 LEU A 464 11.032 4.338 6.462 1.00 5.02 H new ATOM 0 HD13 LEU A 464 10.485 5.488 5.219 1.00 5.02 H new ATOM 0 HD21 LEU A 464 11.763 8.001 6.587 1.00 50.34 H new ATOM 0 HD22 LEU A 464 10.098 8.018 5.958 1.00 50.34 H new ATOM 0 HD23 LEU A 464 10.412 8.436 7.660 1.00 50.34 H new ATOM 1345 N PHE A 465 6.404 5.772 9.627 1.00 62.34 N ATOM 1346 CA PHE A 465 4.950 5.604 9.889 1.00 72.11 C ATOM 1347 C PHE A 465 4.398 6.724 10.814 1.00 52.11 C ATOM 1348 O PHE A 465 3.188 6.961 10.848 1.00 31.43 O ATOM 1349 CB PHE A 465 4.675 4.205 10.498 1.00 30.01 C ATOM 1350 CG PHE A 465 4.975 3.049 9.543 1.00 22.50 C ATOM 1351 CD1 PHE A 465 4.275 2.934 8.343 1.00 44.44 C ATOM 1352 CD2 PHE A 465 5.945 2.089 9.830 1.00 21.22 C ATOM 1353 CE1 PHE A 465 4.531 1.903 7.467 1.00 63.11 C ATOM 1354 CE2 PHE A 465 6.201 1.054 8.946 1.00 54.14 C ATOM 1355 CZ PHE A 465 5.492 0.964 7.766 1.00 63.41 C ATOM 0 H PHE A 465 6.995 5.141 10.169 1.00 62.34 H new ATOM 0 HA PHE A 465 4.427 5.685 8.936 1.00 72.11 H new ATOM 0 HB2 PHE A 465 5.277 4.086 11.399 1.00 30.01 H new ATOM 0 HB3 PHE A 465 3.630 4.150 10.803 1.00 30.01 H new ATOM 0 HD1 PHE A 465 3.520 3.665 8.096 1.00 44.44 H new ATOM 0 HD2 PHE A 465 6.503 2.153 10.752 1.00 21.22 H new ATOM 0 HE1 PHE A 465 3.976 1.831 6.543 1.00 63.11 H new ATOM 0 HE2 PHE A 465 6.955 0.318 9.180 1.00 54.14 H new ATOM 0 HZ PHE A 465 5.691 0.157 7.077 1.00 63.41 H new ATOM 1365 N ARG A 466 5.289 7.386 11.576 1.00 73.44 N ATOM 1366 CA ARG A 466 4.940 8.597 12.371 1.00 71.03 C ATOM 1367 C ARG A 466 5.000 9.890 11.512 1.00 23.51 C ATOM 1368 O ARG A 466 4.398 10.910 11.866 1.00 43.54 O ATOM 1369 CB ARG A 466 5.877 8.715 13.609 1.00 21.42 C ATOM 1370 CG ARG A 466 5.674 7.608 14.675 1.00 63.52 C ATOM 1371 CD ARG A 466 4.236 7.609 15.237 1.00 23.42 C ATOM 1372 NE ARG A 466 4.021 6.602 16.291 1.00 54.31 N ATOM 1373 CZ ARG A 466 2.848 6.266 16.788 1.00 12.50 C ATOM 1374 NH1 ARG A 466 1.741 6.754 16.312 1.00 0.35 N ATOM 1375 NH2 ARG A 466 2.800 5.414 17.754 1.00 71.11 N ATOM 0 H ARG A 466 6.266 7.106 11.663 1.00 73.44 H new ATOM 0 HA ARG A 466 3.911 8.485 12.714 1.00 71.03 H new ATOM 0 HB2 ARG A 466 6.912 8.689 13.269 1.00 21.42 H new ATOM 0 HB3 ARG A 466 5.719 9.686 14.077 1.00 21.42 H new ATOM 0 HG2 ARG A 466 5.891 6.635 14.234 1.00 63.52 H new ATOM 0 HG3 ARG A 466 6.383 7.754 15.490 1.00 63.52 H new ATOM 0 HD2 ARG A 466 4.011 8.597 15.637 1.00 23.42 H new ATOM 0 HD3 ARG A 466 3.535 7.427 14.422 1.00 23.42 H new ATOM 0 HE ARG A 466 4.844 6.129 16.665 1.00 54.31 H new ATOM 0 HH11 ARG A 466 1.767 7.414 15.535 1.00 0.35 H new ATOM 0 HH12 ARG A 466 0.846 6.477 16.716 1.00 0.35 H new ATOM 0 HH21 ARG A 466 3.662 5.011 18.122 1.00 71.11 H new ATOM 0 HH22 ARG A 466 1.900 5.143 18.151 1.00 71.11 H new ATOM 1389 N ASN A 467 5.723 9.829 10.383 1.00 75.40 N ATOM 1390 CA ASN A 467 5.850 10.958 9.424 1.00 42.34 C ATOM 1391 C ASN A 467 4.690 11.006 8.391 1.00 11.53 C ATOM 1392 O ASN A 467 4.769 11.746 7.413 1.00 44.11 O ATOM 1393 CB ASN A 467 7.223 10.857 8.690 1.00 21.11 C ATOM 1394 CG ASN A 467 8.430 11.152 9.588 1.00 24.43 C ATOM 1395 OD1 ASN A 467 9.507 10.578 9.425 1.00 15.31 O ATOM 1396 ND2 ASN A 467 8.286 12.084 10.516 1.00 64.12 N ATOM 0 H ASN A 467 6.241 8.997 10.101 1.00 75.40 H new ATOM 0 HA ASN A 467 5.794 11.884 9.996 1.00 42.34 H new ATOM 0 HB2 ASN A 467 7.329 9.855 8.273 1.00 21.11 H new ATOM 0 HB3 ASN A 467 7.228 11.553 7.851 1.00 21.11 H new ATOM 0 HD21 ASN A 467 9.075 12.338 11.111 1.00 64.12 H new ATOM 0 HD22 ASN A 467 7.386 12.549 10.637 1.00 64.12 H new ATOM 1403 N SER A 468 3.598 10.255 8.632 1.00 52.41 N ATOM 1404 CA SER A 468 2.511 10.063 7.629 1.00 51.00 C ATOM 1405 C SER A 468 1.142 10.622 8.085 1.00 21.14 C ATOM 1406 O SER A 468 0.907 10.851 9.273 1.00 62.50 O ATOM 1407 CB SER A 468 2.370 8.553 7.307 1.00 72.33 C ATOM 1408 OG SER A 468 1.969 7.812 8.445 1.00 21.25 O ATOM 0 H SER A 468 3.437 9.766 9.513 1.00 52.41 H new ATOM 0 HA SER A 468 2.799 10.628 6.742 1.00 51.00 H new ATOM 0 HB2 SER A 468 1.641 8.417 6.508 1.00 72.33 H new ATOM 0 HB3 SER A 468 3.321 8.169 6.939 1.00 72.33 H new ATOM 0 HG SER A 468 2.716 7.753 9.077 1.00 21.25 H new ATOM 1414 N ARG A 469 0.258 10.872 7.094 1.00 33.42 N ATOM 1415 CA ARG A 469 -1.194 11.092 7.317 1.00 54.03 C ATOM 1416 C ARG A 469 -1.947 9.776 7.022 1.00 43.13 C ATOM 1417 O ARG A 469 -1.615 9.069 6.058 1.00 44.53 O ATOM 1418 CB ARG A 469 -1.744 12.241 6.412 1.00 31.12 C ATOM 1419 CG ARG A 469 -1.540 12.020 4.891 1.00 23.03 C ATOM 1420 CD ARG A 469 -2.328 13.011 4.006 1.00 23.42 C ATOM 1421 NE ARG A 469 -1.982 14.419 4.265 1.00 43.13 N ATOM 1422 CZ ARG A 469 -2.550 15.462 3.699 1.00 12.50 C ATOM 1423 NH1 ARG A 469 -3.439 15.324 2.764 1.00 50.31 N ATOM 1424 NH2 ARG A 469 -2.200 16.646 4.063 1.00 12.15 N ATOM 0 H ARG A 469 0.529 10.928 6.112 1.00 33.42 H new ATOM 0 HA ARG A 469 -1.350 11.390 8.354 1.00 54.03 H new ATOM 0 HB2 ARG A 469 -2.809 12.362 6.608 1.00 31.12 H new ATOM 0 HB3 ARG A 469 -1.259 13.174 6.698 1.00 31.12 H new ATOM 0 HG2 ARG A 469 -0.478 12.106 4.660 1.00 23.03 H new ATOM 0 HG3 ARG A 469 -1.840 11.003 4.638 1.00 23.03 H new ATOM 0 HD2 ARG A 469 -2.137 12.783 2.957 1.00 23.42 H new ATOM 0 HD3 ARG A 469 -3.396 12.869 4.174 1.00 23.42 H new ATOM 0 HE ARG A 469 -1.239 14.601 4.940 1.00 43.13 H new ATOM 0 HH11 ARG A 469 -3.711 14.392 2.453 1.00 50.31 H new ATOM 0 HH12 ARG A 469 -3.865 16.148 2.340 1.00 50.31 H new ATOM 0 HH21 ARG A 469 -1.489 16.769 4.784 1.00 12.15 H new ATOM 0 HH22 ARG A 469 -2.634 17.462 3.631 1.00 12.15 H new ATOM 1438 N MET A 470 -2.953 9.436 7.836 1.00 2.22 N ATOM 1439 CA MET A 470 -3.683 8.165 7.689 1.00 10.34 C ATOM 1440 C MET A 470 -5.004 8.364 6.906 1.00 63.21 C ATOM 1441 O MET A 470 -5.926 9.046 7.370 1.00 0.15 O ATOM 1442 CB MET A 470 -3.942 7.549 9.088 1.00 43.03 C ATOM 1443 CG MET A 470 -4.359 6.080 9.073 1.00 13.24 C ATOM 1444 SD MET A 470 -4.507 5.405 10.743 1.00 50.22 S ATOM 1445 CE MET A 470 -4.664 3.655 10.398 1.00 64.13 C ATOM 0 H MET A 470 -3.282 10.021 8.604 1.00 2.22 H new ATOM 0 HA MET A 470 -3.072 7.473 7.110 1.00 10.34 H new ATOM 0 HB2 MET A 470 -3.037 7.649 9.687 1.00 43.03 H new ATOM 0 HB3 MET A 470 -4.720 8.128 9.586 1.00 43.03 H new ATOM 0 HG2 MET A 470 -5.312 5.978 8.554 1.00 13.24 H new ATOM 0 HG3 MET A 470 -3.627 5.500 8.511 1.00 13.24 H new ATOM 0 HE1 MET A 470 -5.430 3.224 11.043 1.00 64.13 H new ATOM 0 HE2 MET A 470 -4.947 3.514 9.355 1.00 64.13 H new ATOM 0 HE3 MET A 470 -3.711 3.160 10.586 1.00 64.13 H new ATOM 1455 N VAL A 471 -5.071 7.764 5.702 1.00 71.35 N ATOM 1456 CA VAL A 471 -6.284 7.728 4.852 1.00 3.41 C ATOM 1457 C VAL A 471 -6.876 6.295 4.826 1.00 71.15 C ATOM 1458 O VAL A 471 -6.316 5.367 5.421 1.00 62.11 O ATOM 1459 CB VAL A 471 -5.977 8.239 3.380 1.00 70.03 C ATOM 1460 CG1 VAL A 471 -5.465 9.705 3.390 1.00 34.31 C ATOM 1461 CG2 VAL A 471 -4.979 7.305 2.645 1.00 31.51 C ATOM 0 H VAL A 471 -4.275 7.283 5.284 1.00 71.35 H new ATOM 0 HA VAL A 471 -7.021 8.404 5.285 1.00 3.41 H new ATOM 0 HB VAL A 471 -6.916 8.214 2.826 1.00 70.03 H new ATOM 0 HG11 VAL A 471 -5.263 10.027 2.368 1.00 34.31 H new ATOM 0 HG12 VAL A 471 -6.223 10.352 3.831 1.00 34.31 H new ATOM 0 HG13 VAL A 471 -4.549 9.766 3.977 1.00 34.31 H new ATOM 0 HG21 VAL A 471 -4.794 7.688 1.641 1.00 31.51 H new ATOM 0 HG22 VAL A 471 -4.040 7.268 3.198 1.00 31.51 H new ATOM 0 HG23 VAL A 471 -5.401 6.302 2.579 1.00 31.51 H new ATOM 1471 N GLN A 472 -8.020 6.128 4.147 1.00 72.34 N ATOM 1472 CA GLN A 472 -8.765 4.842 4.092 1.00 22.35 C ATOM 1473 C GLN A 472 -8.866 4.295 2.653 1.00 13.25 C ATOM 1474 O GLN A 472 -8.946 5.055 1.686 1.00 55.21 O ATOM 1475 CB GLN A 472 -10.184 5.027 4.726 1.00 4.52 C ATOM 1476 CG GLN A 472 -10.318 4.542 6.193 1.00 43.13 C ATOM 1477 CD GLN A 472 -10.425 3.012 6.344 1.00 72.21 C ATOM 1478 OE1 GLN A 472 -9.884 2.243 5.556 1.00 1.40 O ATOM 1479 NE2 GLN A 472 -11.150 2.557 7.350 1.00 64.11 N ATOM 0 H GLN A 472 -8.464 6.877 3.616 1.00 72.34 H new ATOM 0 HA GLN A 472 -8.210 4.102 4.670 1.00 22.35 H new ATOM 0 HB2 GLN A 472 -10.449 6.083 4.683 1.00 4.52 H new ATOM 0 HB3 GLN A 472 -10.910 4.491 4.115 1.00 4.52 H new ATOM 0 HG2 GLN A 472 -9.456 4.893 6.760 1.00 43.13 H new ATOM 0 HG3 GLN A 472 -11.200 5.003 6.637 1.00 43.13 H new ATOM 0 HE21 GLN A 472 -11.593 3.210 7.996 1.00 64.11 H new ATOM 0 HE22 GLN A 472 -11.267 1.552 7.481 1.00 64.11 H new ATOM 1488 N PHE A 473 -8.863 2.952 2.547 1.00 54.02 N ATOM 1489 CA PHE A 473 -8.992 2.220 1.266 1.00 52.21 C ATOM 1490 C PHE A 473 -10.152 1.196 1.317 1.00 13.55 C ATOM 1491 O PHE A 473 -10.107 0.198 2.050 1.00 23.34 O ATOM 1492 CB PHE A 473 -7.659 1.498 0.894 1.00 34.21 C ATOM 1493 CG PHE A 473 -6.591 2.397 0.269 1.00 2.22 C ATOM 1494 CD1 PHE A 473 -5.901 3.338 1.030 1.00 2.30 C ATOM 1495 CD2 PHE A 473 -6.275 2.289 -1.089 1.00 3.15 C ATOM 1496 CE1 PHE A 473 -4.935 4.145 0.454 1.00 45.00 C ATOM 1497 CE2 PHE A 473 -5.310 3.094 -1.662 1.00 4.22 C ATOM 1498 CZ PHE A 473 -4.640 4.022 -0.889 1.00 61.45 C ATOM 0 H PHE A 473 -8.770 2.336 3.355 1.00 54.02 H new ATOM 0 HA PHE A 473 -9.216 2.957 0.494 1.00 52.21 H new ATOM 0 HB2 PHE A 473 -7.247 1.041 1.794 1.00 34.21 H new ATOM 0 HB3 PHE A 473 -7.883 0.688 0.200 1.00 34.21 H new ATOM 0 HD1 PHE A 473 -6.122 3.439 2.082 1.00 2.30 H new ATOM 0 HD2 PHE A 473 -6.794 1.565 -1.699 1.00 3.15 H new ATOM 0 HE1 PHE A 473 -4.411 4.872 1.056 1.00 45.00 H new ATOM 0 HE2 PHE A 473 -5.080 2.998 -2.713 1.00 4.22 H new ATOM 0 HZ PHE A 473 -3.885 4.652 -1.336 1.00 61.45 H new ATOM 1508 N HIS A 474 -11.202 1.489 0.540 1.00 23.25 N ATOM 1509 CA HIS A 474 -12.255 0.523 0.164 1.00 54.20 C ATOM 1510 C HIS A 474 -11.921 -0.024 -1.254 1.00 41.15 C ATOM 1511 O HIS A 474 -10.959 0.421 -1.888 1.00 2.21 O ATOM 1512 CB HIS A 474 -13.645 1.240 0.213 1.00 61.41 C ATOM 1513 CG HIS A 474 -14.849 0.379 -0.120 1.00 4.45 C ATOM 1514 ND1 HIS A 474 -15.286 -0.603 0.734 1.00 44.12 N ATOM 1515 CD2 HIS A 474 -15.642 0.377 -1.229 1.00 23.02 C ATOM 1516 CE1 HIS A 474 -16.316 -1.178 0.132 1.00 3.24 C ATOM 1517 NE2 HIS A 474 -16.567 -0.615 -1.056 1.00 44.25 N ATOM 0 H HIS A 474 -11.351 2.418 0.146 1.00 23.25 H new ATOM 0 HA HIS A 474 -12.298 -0.318 0.856 1.00 54.20 H new ATOM 0 HB2 HIS A 474 -13.784 1.653 1.212 1.00 61.41 H new ATOM 0 HB3 HIS A 474 -13.622 2.082 -0.479 1.00 61.41 H new ATOM 0 HD2 HIS A 474 -15.556 1.034 -2.082 1.00 23.02 H new ATOM 0 HE1 HIS A 474 -16.882 -1.998 0.548 1.00 3.24 H new ATOM 0 HE2 HIS A 474 -17.307 -0.876 -1.708 1.00 44.25 H new ATOM 1525 N PHE A 475 -12.664 -1.038 -1.722 1.00 74.52 N ATOM 1526 CA PHE A 475 -12.598 -1.499 -3.125 1.00 33.43 C ATOM 1527 C PHE A 475 -13.998 -1.355 -3.778 1.00 71.41 C ATOM 1528 O PHE A 475 -14.364 -0.256 -4.200 1.00 21.50 O ATOM 1529 CB PHE A 475 -12.010 -2.944 -3.204 1.00 33.24 C ATOM 1530 CG PHE A 475 -10.543 -3.011 -2.786 1.00 50.03 C ATOM 1531 CD1 PHE A 475 -9.536 -2.707 -3.699 1.00 24.33 C ATOM 1532 CD2 PHE A 475 -10.168 -3.326 -1.482 1.00 33.15 C ATOM 1533 CE1 PHE A 475 -8.206 -2.713 -3.326 1.00 5.32 C ATOM 1534 CE2 PHE A 475 -8.831 -3.340 -1.115 1.00 53.11 C ATOM 1535 CZ PHE A 475 -7.853 -3.030 -2.035 1.00 74.32 C ATOM 0 H PHE A 475 -13.324 -1.561 -1.147 1.00 74.52 H new ATOM 0 HA PHE A 475 -11.913 -0.874 -3.698 1.00 33.43 H new ATOM 0 HB2 PHE A 475 -12.595 -3.605 -2.565 1.00 33.24 H new ATOM 0 HB3 PHE A 475 -12.110 -3.316 -4.224 1.00 33.24 H new ATOM 0 HD1 PHE A 475 -9.800 -2.462 -4.717 1.00 24.33 H new ATOM 0 HD2 PHE A 475 -10.926 -3.562 -0.750 1.00 33.15 H new ATOM 0 HE1 PHE A 475 -7.442 -2.468 -4.049 1.00 5.32 H new ATOM 0 HE2 PHE A 475 -8.555 -3.595 -0.103 1.00 53.11 H new ATOM 0 HZ PHE A 475 -6.813 -3.036 -1.743 1.00 74.32 H new ATOM 1545 N THR A 476 -14.781 -2.450 -3.830 1.00 74.22 N ATOM 1546 CA THR A 476 -16.227 -2.437 -4.216 1.00 15.10 C ATOM 1547 C THR A 476 -16.949 -3.534 -3.407 1.00 34.42 C ATOM 1548 O THR A 476 -17.797 -3.252 -2.547 1.00 53.31 O ATOM 1549 CB THR A 476 -16.467 -2.652 -5.766 1.00 62.50 C ATOM 1550 OG1 THR A 476 -15.723 -3.790 -6.245 1.00 3.42 O ATOM 1551 CG2 THR A 476 -16.093 -1.406 -6.596 1.00 43.13 C ATOM 0 H THR A 476 -14.435 -3.383 -3.605 1.00 74.22 H new ATOM 0 HA THR A 476 -16.627 -1.449 -3.989 1.00 15.10 H new ATOM 0 HB THR A 476 -17.534 -2.832 -5.894 1.00 62.50 H new ATOM 0 HG1 THR A 476 -15.886 -3.907 -7.204 1.00 3.42 H new ATOM 0 HG21 THR A 476 -16.276 -1.604 -7.652 1.00 43.13 H new ATOM 0 HG22 THR A 476 -16.700 -0.560 -6.275 1.00 43.13 H new ATOM 0 HG23 THR A 476 -15.039 -1.173 -6.448 1.00 43.13 H new ATOM 1559 N ASN A 477 -16.579 -4.790 -3.690 1.00 21.34 N ATOM 1560 CA ASN A 477 -16.958 -5.976 -2.887 1.00 22.41 C ATOM 1561 C ASN A 477 -15.746 -6.454 -2.058 1.00 25.44 C ATOM 1562 O ASN A 477 -14.674 -5.829 -2.073 1.00 13.35 O ATOM 1563 CB ASN A 477 -17.437 -7.124 -3.824 1.00 53.45 C ATOM 1564 CG ASN A 477 -18.707 -6.817 -4.622 1.00 55.02 C ATOM 1565 OD1 ASN A 477 -18.979 -5.680 -4.989 1.00 44.42 O ATOM 1566 ND2 ASN A 477 -19.495 -7.839 -4.906 1.00 50.43 N ATOM 0 H ASN A 477 -15.998 -5.022 -4.496 1.00 21.34 H new ATOM 0 HA ASN A 477 -17.771 -5.703 -2.214 1.00 22.41 H new ATOM 0 HB2 ASN A 477 -16.635 -7.362 -4.523 1.00 53.45 H new ATOM 0 HB3 ASN A 477 -17.610 -8.016 -3.222 1.00 53.45 H new ATOM 0 HD21 ASN A 477 -20.350 -7.690 -5.441 1.00 50.43 H new ATOM 0 HD22 ASN A 477 -19.248 -8.777 -4.590 1.00 50.43 H new ATOM 1573 N LYS A 478 -15.922 -7.568 -1.333 1.00 2.40 N ATOM 1574 CA LYS A 478 -14.817 -8.276 -0.644 1.00 65.21 C ATOM 1575 C LYS A 478 -14.677 -9.715 -1.199 1.00 54.25 C ATOM 1576 O LYS A 478 -14.068 -10.587 -0.575 1.00 13.33 O ATOM 1577 CB LYS A 478 -15.059 -8.279 0.887 1.00 64.11 C ATOM 1578 CG LYS A 478 -15.025 -6.875 1.537 1.00 0.04 C ATOM 1579 CD LYS A 478 -15.171 -6.920 3.077 1.00 2.23 C ATOM 1580 CE LYS A 478 -16.496 -7.556 3.532 1.00 75.12 C ATOM 1581 NZ LYS A 478 -17.667 -6.822 2.993 1.00 31.35 N ATOM 0 H LYS A 478 -16.832 -8.009 -1.204 1.00 2.40 H new ATOM 0 HA LYS A 478 -13.880 -7.752 -0.834 1.00 65.21 H new ATOM 0 HB2 LYS A 478 -16.027 -8.738 1.090 1.00 64.11 H new ATOM 0 HB3 LYS A 478 -14.304 -8.905 1.362 1.00 64.11 H new ATOM 0 HG2 LYS A 478 -14.086 -6.384 1.280 1.00 0.04 H new ATOM 0 HG3 LYS A 478 -15.827 -6.267 1.119 1.00 0.04 H new ATOM 0 HD2 LYS A 478 -14.339 -7.483 3.500 1.00 2.23 H new ATOM 0 HD3 LYS A 478 -15.105 -5.907 3.473 1.00 2.23 H new ATOM 0 HE2 LYS A 478 -16.534 -8.594 3.203 1.00 75.12 H new ATOM 0 HE3 LYS A 478 -16.541 -7.565 4.621 1.00 75.12 H new ATOM 0 HZ1 LYS A 478 -18.539 -7.203 3.413 1.00 31.35 H new ATOM 0 HZ2 LYS A 478 -17.582 -5.812 3.228 1.00 31.35 H new ATOM 0 HZ3 LYS A 478 -17.702 -6.935 1.960 1.00 31.35 H new ATOM 1595 N ASP A 479 -15.217 -9.922 -2.417 1.00 0.34 N ATOM 1596 CA ASP A 479 -15.364 -11.249 -3.057 1.00 2.03 C ATOM 1597 C ASP A 479 -14.468 -11.401 -4.320 1.00 44.43 C ATOM 1598 O ASP A 479 -14.466 -12.470 -4.954 1.00 54.14 O ATOM 1599 CB ASP A 479 -16.856 -11.442 -3.432 1.00 32.24 C ATOM 1600 CG ASP A 479 -17.805 -11.219 -2.236 1.00 42.51 C ATOM 1601 OD1 ASP A 479 -18.129 -10.040 -1.922 1.00 74.14 O ATOM 1602 OD2 ASP A 479 -18.222 -12.201 -1.593 1.00 32.32 O ATOM 0 H ASP A 479 -15.570 -9.160 -2.995 1.00 0.34 H new ATOM 0 HA ASP A 479 -15.038 -12.014 -2.352 1.00 2.03 H new ATOM 0 HB2 ASP A 479 -17.118 -10.749 -4.232 1.00 32.24 H new ATOM 0 HB3 ASP A 479 -17.001 -12.449 -3.822 1.00 32.24 H new ATOM 1607 N LEU A 480 -13.716 -10.335 -4.682 1.00 71.14 N ATOM 1608 CA LEU A 480 -12.855 -10.324 -5.895 1.00 52.44 C ATOM 1609 C LEU A 480 -11.672 -11.322 -5.753 1.00 21.22 C ATOM 1610 O LEU A 480 -11.106 -11.448 -4.671 1.00 4.04 O ATOM 1611 CB LEU A 480 -12.297 -8.895 -6.206 1.00 35.33 C ATOM 1612 CG LEU A 480 -13.325 -7.750 -6.520 1.00 52.11 C ATOM 1613 CD1 LEU A 480 -14.373 -8.180 -7.567 1.00 54.33 C ATOM 1614 CD2 LEU A 480 -13.974 -7.189 -5.239 1.00 1.01 C ATOM 0 H LEU A 480 -13.686 -9.465 -4.150 1.00 71.14 H new ATOM 0 HA LEU A 480 -13.488 -10.633 -6.727 1.00 52.44 H new ATOM 0 HB2 LEU A 480 -11.697 -8.579 -5.353 1.00 35.33 H new ATOM 0 HB3 LEU A 480 -11.622 -8.979 -7.057 1.00 35.33 H new ATOM 0 HG LEU A 480 -12.759 -6.933 -6.967 1.00 52.11 H new ATOM 0 HD11 LEU A 480 -15.062 -7.356 -7.752 1.00 54.33 H new ATOM 0 HD12 LEU A 480 -13.870 -8.448 -8.496 1.00 54.33 H new ATOM 0 HD13 LEU A 480 -14.928 -9.041 -7.194 1.00 54.33 H new ATOM 0 HD21 LEU A 480 -14.678 -6.400 -5.503 1.00 1.01 H new ATOM 0 HD22 LEU A 480 -14.503 -7.988 -4.719 1.00 1.01 H new ATOM 0 HD23 LEU A 480 -13.201 -6.782 -4.587 1.00 1.01 H new ATOM 1626 N GLU A 481 -11.305 -12.003 -6.860 1.00 34.51 N ATOM 1627 CA GLU A 481 -10.256 -13.068 -6.868 1.00 70.52 C ATOM 1628 C GLU A 481 -8.883 -12.546 -6.369 1.00 70.11 C ATOM 1629 O GLU A 481 -8.308 -13.099 -5.426 1.00 21.23 O ATOM 1630 CB GLU A 481 -10.153 -13.670 -8.316 1.00 0.33 C ATOM 1631 CG GLU A 481 -9.111 -14.814 -8.543 1.00 70.50 C ATOM 1632 CD GLU A 481 -7.642 -14.344 -8.712 1.00 63.32 C ATOM 1633 OE1 GLU A 481 -7.418 -13.295 -9.355 1.00 43.10 O ATOM 1634 OE2 GLU A 481 -6.716 -15.022 -8.218 1.00 73.33 O ATOM 0 H GLU A 481 -11.722 -11.837 -7.776 1.00 34.51 H new ATOM 0 HA GLU A 481 -10.549 -13.851 -6.169 1.00 70.52 H new ATOM 0 HB2 GLU A 481 -11.136 -14.049 -8.595 1.00 0.33 H new ATOM 0 HB3 GLU A 481 -9.918 -12.858 -9.003 1.00 0.33 H new ATOM 0 HG2 GLU A 481 -9.161 -15.502 -7.699 1.00 70.50 H new ATOM 0 HG3 GLU A 481 -9.400 -15.377 -9.431 1.00 70.50 H new ATOM 1641 N SER A 482 -8.381 -11.461 -6.994 1.00 2.04 N ATOM 1642 CA SER A 482 -7.072 -10.848 -6.631 1.00 15.12 C ATOM 1643 C SER A 482 -7.080 -10.286 -5.190 1.00 11.31 C ATOM 1644 O SER A 482 -6.039 -10.208 -4.535 1.00 34.32 O ATOM 1645 CB SER A 482 -6.696 -9.748 -7.650 1.00 13.12 C ATOM 1646 OG SER A 482 -6.587 -10.275 -8.967 1.00 55.04 O ATOM 0 H SER A 482 -8.860 -10.984 -7.758 1.00 2.04 H new ATOM 0 HA SER A 482 -6.316 -11.632 -6.665 1.00 15.12 H new ATOM 0 HB2 SER A 482 -7.450 -8.961 -7.633 1.00 13.12 H new ATOM 0 HB3 SER A 482 -5.750 -9.290 -7.361 1.00 13.12 H new ATOM 0 HG SER A 482 -6.791 -11.233 -8.954 1.00 55.04 H new ATOM 1652 N LEU A 483 -8.284 -9.928 -4.700 1.00 33.04 N ATOM 1653 CA LEU A 483 -8.489 -9.442 -3.321 1.00 51.20 C ATOM 1654 C LEU A 483 -8.434 -10.596 -2.293 1.00 61.41 C ATOM 1655 O LEU A 483 -7.882 -10.433 -1.209 1.00 12.03 O ATOM 1656 CB LEU A 483 -9.838 -8.698 -3.223 1.00 72.40 C ATOM 1657 CG LEU A 483 -10.182 -8.071 -1.844 1.00 74.30 C ATOM 1658 CD1 LEU A 483 -9.101 -7.076 -1.364 1.00 51.02 C ATOM 1659 CD2 LEU A 483 -11.569 -7.415 -1.887 1.00 30.40 C ATOM 0 H LEU A 483 -9.142 -9.968 -5.250 1.00 33.04 H new ATOM 0 HA LEU A 483 -7.678 -8.754 -3.082 1.00 51.20 H new ATOM 0 HB2 LEU A 483 -9.846 -7.905 -3.971 1.00 72.40 H new ATOM 0 HB3 LEU A 483 -10.633 -9.395 -3.489 1.00 72.40 H new ATOM 0 HG LEU A 483 -10.203 -8.878 -1.112 1.00 74.30 H new ATOM 0 HD11 LEU A 483 -9.388 -6.666 -0.396 1.00 51.02 H new ATOM 0 HD12 LEU A 483 -8.146 -7.593 -1.270 1.00 51.02 H new ATOM 0 HD13 LEU A 483 -9.005 -6.266 -2.087 1.00 51.02 H new ATOM 0 HD21 LEU A 483 -11.796 -6.980 -0.914 1.00 30.40 H new ATOM 0 HD22 LEU A 483 -11.578 -6.632 -2.645 1.00 30.40 H new ATOM 0 HD23 LEU A 483 -12.319 -8.166 -2.133 1.00 30.40 H new ATOM 1671 N LYS A 484 -9.013 -11.761 -2.656 1.00 20.55 N ATOM 1672 CA LYS A 484 -8.937 -13.005 -1.841 1.00 11.24 C ATOM 1673 C LYS A 484 -7.471 -13.439 -1.640 1.00 21.43 C ATOM 1674 O LYS A 484 -7.075 -13.888 -0.553 1.00 3.50 O ATOM 1675 CB LYS A 484 -9.729 -14.146 -2.526 1.00 0.04 C ATOM 1676 CG LYS A 484 -11.250 -13.908 -2.618 1.00 53.34 C ATOM 1677 CD LYS A 484 -11.986 -15.046 -3.362 1.00 23.43 C ATOM 1678 CE LYS A 484 -11.823 -16.420 -2.679 1.00 34.35 C ATOM 1679 NZ LYS A 484 -12.341 -16.423 -1.284 1.00 40.01 N ATOM 0 H LYS A 484 -9.546 -11.871 -3.519 1.00 20.55 H new ATOM 0 HA LYS A 484 -9.378 -12.798 -0.866 1.00 11.24 H new ATOM 0 HB2 LYS A 484 -9.336 -14.290 -3.532 1.00 0.04 H new ATOM 0 HB3 LYS A 484 -9.552 -15.072 -1.979 1.00 0.04 H new ATOM 0 HG2 LYS A 484 -11.660 -13.811 -1.613 1.00 53.34 H new ATOM 0 HG3 LYS A 484 -11.436 -12.964 -3.130 1.00 53.34 H new ATOM 0 HD2 LYS A 484 -13.047 -14.803 -3.427 1.00 23.43 H new ATOM 0 HD3 LYS A 484 -11.610 -15.108 -4.383 1.00 23.43 H new ATOM 0 HE2 LYS A 484 -12.349 -17.177 -3.261 1.00 34.35 H new ATOM 0 HE3 LYS A 484 -10.769 -16.698 -2.673 1.00 34.35 H new ATOM 0 HZ1 LYS A 484 -12.288 -17.386 -0.896 1.00 40.01 H new ATOM 0 HZ2 LYS A 484 -11.767 -15.782 -0.699 1.00 40.01 H new ATOM 0 HZ3 LYS A 484 -13.330 -16.103 -1.280 1.00 40.01 H new ATOM 1693 N GLY A 485 -6.679 -13.280 -2.716 1.00 61.22 N ATOM 1694 CA GLY A 485 -5.231 -13.444 -2.649 1.00 22.45 C ATOM 1695 C GLY A 485 -4.574 -12.413 -1.725 1.00 40.44 C ATOM 1696 O GLY A 485 -3.830 -12.781 -0.828 1.00 33.12 O ATOM 0 H GLY A 485 -7.028 -13.037 -3.643 1.00 61.22 H new ATOM 0 HA2 GLY A 485 -4.997 -14.448 -2.295 1.00 22.45 H new ATOM 0 HA3 GLY A 485 -4.810 -13.353 -3.650 1.00 22.45 H new ATOM 1700 N LEU A 486 -4.924 -11.119 -1.917 1.00 63.35 N ATOM 1701 CA LEU A 486 -4.352 -9.972 -1.150 1.00 71.33 C ATOM 1702 C LEU A 486 -4.591 -10.105 0.387 1.00 0.31 C ATOM 1703 O LEU A 486 -3.729 -9.729 1.198 1.00 74.20 O ATOM 1704 CB LEU A 486 -4.943 -8.632 -1.686 1.00 74.25 C ATOM 1705 CG LEU A 486 -4.267 -7.313 -1.183 1.00 72.42 C ATOM 1706 CD1 LEU A 486 -2.760 -7.275 -1.545 1.00 34.13 C ATOM 1707 CD2 LEU A 486 -5.023 -6.068 -1.720 1.00 43.12 C ATOM 0 H LEU A 486 -5.615 -10.833 -2.611 1.00 63.35 H new ATOM 0 HA LEU A 486 -3.272 -9.979 -1.300 1.00 71.33 H new ATOM 0 HB2 LEU A 486 -4.889 -8.648 -2.775 1.00 74.25 H new ATOM 0 HB3 LEU A 486 -5.999 -8.596 -1.420 1.00 74.25 H new ATOM 0 HG LEU A 486 -4.331 -7.293 -0.095 1.00 72.42 H new ATOM 0 HD11 LEU A 486 -2.322 -6.346 -1.181 1.00 34.13 H new ATOM 0 HD12 LEU A 486 -2.253 -8.121 -1.082 1.00 34.13 H new ATOM 0 HD13 LEU A 486 -2.644 -7.331 -2.627 1.00 34.13 H new ATOM 0 HD21 LEU A 486 -4.536 -5.162 -1.358 1.00 43.12 H new ATOM 0 HD22 LEU A 486 -5.010 -6.076 -2.810 1.00 43.12 H new ATOM 0 HD23 LEU A 486 -6.055 -6.090 -1.370 1.00 43.12 H new ATOM 1719 N TYR A 487 -5.763 -10.669 0.761 1.00 15.22 N ATOM 1720 CA TYR A 487 -6.108 -11.024 2.162 1.00 34.12 C ATOM 1721 C TYR A 487 -5.078 -12.010 2.765 1.00 32.12 C ATOM 1722 O TYR A 487 -4.591 -11.824 3.890 1.00 34.30 O ATOM 1723 CB TYR A 487 -7.536 -11.659 2.221 1.00 72.02 C ATOM 1724 CG TYR A 487 -8.708 -10.684 2.020 1.00 34.50 C ATOM 1725 CD1 TYR A 487 -8.691 -9.429 2.615 1.00 71.12 C ATOM 1726 CD2 TYR A 487 -9.840 -11.024 1.264 1.00 3.11 C ATOM 1727 CE1 TYR A 487 -9.742 -8.555 2.480 1.00 62.22 C ATOM 1728 CE2 TYR A 487 -10.900 -10.147 1.134 1.00 42.22 C ATOM 1729 CZ TYR A 487 -10.836 -8.911 1.741 1.00 44.32 C ATOM 1730 OH TYR A 487 -11.879 -8.030 1.616 1.00 74.11 O ATOM 0 H TYR A 487 -6.503 -10.893 0.096 1.00 15.22 H new ATOM 0 HA TYR A 487 -6.090 -10.107 2.750 1.00 34.12 H new ATOM 0 HB2 TYR A 487 -7.600 -12.437 1.460 1.00 72.02 H new ATOM 0 HB3 TYR A 487 -7.656 -12.149 3.187 1.00 72.02 H new ATOM 0 HD1 TYR A 487 -7.831 -9.133 3.198 1.00 71.12 H new ATOM 0 HD2 TYR A 487 -9.884 -11.986 0.776 1.00 3.11 H new ATOM 0 HE1 TYR A 487 -9.704 -7.587 2.957 1.00 62.22 H new ATOM 0 HE2 TYR A 487 -11.772 -10.428 0.561 1.00 42.22 H new ATOM 0 HH TYR A 487 -11.539 -7.112 1.665 1.00 74.11 H new ATOM 1740 N ARG A 488 -4.752 -13.043 1.980 1.00 22.41 N ATOM 1741 CA ARG A 488 -3.810 -14.105 2.378 1.00 74.13 C ATOM 1742 C ARG A 488 -2.347 -13.585 2.415 1.00 73.42 C ATOM 1743 O ARG A 488 -1.606 -13.892 3.345 1.00 41.32 O ATOM 1744 CB ARG A 488 -3.950 -15.302 1.402 1.00 43.33 C ATOM 1745 CG ARG A 488 -3.106 -16.545 1.767 1.00 74.45 C ATOM 1746 CD ARG A 488 -3.356 -17.722 0.805 1.00 53.13 C ATOM 1747 NE ARG A 488 -2.565 -18.919 1.159 1.00 35.24 N ATOM 1748 CZ ARG A 488 -2.019 -19.761 0.295 1.00 42.44 C ATOM 1749 NH1 ARG A 488 -2.094 -19.563 -0.987 1.00 74.22 N ATOM 1750 NH2 ARG A 488 -1.387 -20.799 0.738 1.00 11.52 N ATOM 0 H ARG A 488 -5.135 -13.170 1.043 1.00 22.41 H new ATOM 0 HA ARG A 488 -4.056 -14.432 3.388 1.00 74.13 H new ATOM 0 HB2 ARG A 488 -4.999 -15.594 1.357 1.00 43.33 H new ATOM 0 HB3 ARG A 488 -3.668 -14.971 0.402 1.00 43.33 H new ATOM 0 HG2 ARG A 488 -2.048 -16.282 1.749 1.00 74.45 H new ATOM 0 HG3 ARG A 488 -3.340 -16.855 2.786 1.00 74.45 H new ATOM 0 HD2 ARG A 488 -4.416 -17.975 0.813 1.00 53.13 H new ATOM 0 HD3 ARG A 488 -3.110 -17.415 -0.211 1.00 53.13 H new ATOM 0 HE ARG A 488 -2.428 -19.113 2.151 1.00 35.24 H new ATOM 0 HH11 ARG A 488 -2.582 -18.744 -1.349 1.00 74.22 H new ATOM 0 HH12 ARG A 488 -1.665 -20.227 -1.632 1.00 74.22 H new ATOM 0 HH21 ARG A 488 -1.314 -20.961 1.742 1.00 11.52 H new ATOM 0 HH22 ARG A 488 -0.962 -21.455 0.083 1.00 11.52 H new ATOM 1764 N ILE A 489 -1.972 -12.761 1.412 1.00 10.42 N ATOM 1765 CA ILE A 489 -0.596 -12.212 1.257 1.00 55.53 C ATOM 1766 C ILE A 489 -0.173 -11.355 2.482 1.00 64.32 C ATOM 1767 O ILE A 489 0.869 -11.597 3.097 1.00 20.32 O ATOM 1768 CB ILE A 489 -0.492 -11.342 -0.060 1.00 1.35 C ATOM 1769 CG1 ILE A 489 -0.807 -12.195 -1.331 1.00 33.43 C ATOM 1770 CG2 ILE A 489 0.895 -10.664 -0.196 1.00 33.41 C ATOM 1771 CD1 ILE A 489 -1.039 -11.383 -2.603 1.00 41.01 C ATOM 0 H ILE A 489 -2.614 -12.453 0.681 1.00 10.42 H new ATOM 0 HA ILE A 489 0.083 -13.062 1.188 1.00 55.53 H new ATOM 0 HB ILE A 489 -1.242 -10.555 0.022 1.00 1.35 H new ATOM 0 HG12 ILE A 489 0.019 -12.885 -1.502 1.00 33.43 H new ATOM 0 HG13 ILE A 489 -1.693 -12.800 -1.136 1.00 33.43 H new ATOM 0 HG21 ILE A 489 0.924 -10.076 -1.114 1.00 33.41 H new ATOM 0 HG22 ILE A 489 1.066 -10.010 0.659 1.00 33.41 H new ATOM 0 HG23 ILE A 489 1.672 -11.428 -0.230 1.00 33.41 H new ATOM 0 HD11 ILE A 489 -1.250 -12.058 -3.432 1.00 41.01 H new ATOM 0 HD12 ILE A 489 -1.885 -10.712 -2.457 1.00 41.01 H new ATOM 0 HD13 ILE A 489 -0.147 -10.799 -2.829 1.00 41.01 H new ATOM 1783 N MET A 490 -1.012 -10.366 2.842 1.00 61.45 N ATOM 1784 CA MET A 490 -0.758 -9.489 4.011 1.00 20.24 C ATOM 1785 C MET A 490 -0.954 -10.254 5.352 1.00 52.20 C ATOM 1786 O MET A 490 -0.356 -9.900 6.375 1.00 51.34 O ATOM 1787 CB MET A 490 -1.637 -8.220 3.924 1.00 35.31 C ATOM 1788 CG MET A 490 -1.290 -7.332 2.719 1.00 23.33 C ATOM 1789 SD MET A 490 -2.184 -5.768 2.696 1.00 44.05 S ATOM 1790 CE MET A 490 -1.397 -4.974 1.301 1.00 3.33 C ATOM 0 H MET A 490 -1.874 -10.150 2.342 1.00 61.45 H new ATOM 0 HA MET A 490 0.285 -9.173 3.990 1.00 20.24 H new ATOM 0 HB2 MET A 490 -2.685 -8.514 3.862 1.00 35.31 H new ATOM 0 HB3 MET A 490 -1.522 -7.641 4.840 1.00 35.31 H new ATOM 0 HG2 MET A 490 -0.219 -7.129 2.724 1.00 23.33 H new ATOM 0 HG3 MET A 490 -1.506 -7.878 1.801 1.00 23.33 H new ATOM 0 HE1 MET A 490 -2.117 -4.331 0.795 1.00 3.33 H new ATOM 0 HE2 MET A 490 -0.557 -4.374 1.650 1.00 3.33 H new ATOM 0 HE3 MET A 490 -1.037 -5.733 0.606 1.00 3.33 H new ATOM 1800 N GLY A 491 -1.771 -11.331 5.311 1.00 62.02 N ATOM 1801 CA GLY A 491 -1.906 -12.273 6.438 1.00 52.04 C ATOM 1802 C GLY A 491 -0.644 -13.125 6.678 1.00 2.25 C ATOM 1803 O GLY A 491 -0.396 -13.577 7.799 1.00 35.10 O ATOM 0 H GLY A 491 -2.348 -11.567 4.504 1.00 62.02 H new ATOM 0 HA2 GLY A 491 -2.135 -11.713 7.345 1.00 52.04 H new ATOM 0 HA3 GLY A 491 -2.752 -12.934 6.250 1.00 52.04 H new ATOM 1807 N ASN A 492 0.149 -13.347 5.610 1.00 21.11 N ATOM 1808 CA ASN A 492 1.458 -14.057 5.687 1.00 74.00 C ATOM 1809 C ASN A 492 2.596 -13.134 6.200 1.00 42.24 C ATOM 1810 O ASN A 492 3.702 -13.609 6.493 1.00 34.22 O ATOM 1811 CB ASN A 492 1.839 -14.633 4.292 1.00 54.21 C ATOM 1812 CG ASN A 492 0.845 -15.667 3.762 1.00 52.12 C ATOM 1813 OD1 ASN A 492 0.204 -16.383 4.525 1.00 44.10 O ATOM 1814 ND2 ASN A 492 0.706 -15.756 2.449 1.00 34.30 N ATOM 0 H ASN A 492 -0.093 -13.042 4.667 1.00 21.11 H new ATOM 0 HA ASN A 492 1.342 -14.870 6.404 1.00 74.00 H new ATOM 0 HB2 ASN A 492 1.912 -13.813 3.578 1.00 54.21 H new ATOM 0 HB3 ASN A 492 2.827 -15.090 4.355 1.00 54.21 H new ATOM 0 HD21 ASN A 492 0.054 -16.431 2.050 1.00 34.30 H new ATOM 0 HD22 ASN A 492 1.251 -15.149 1.836 1.00 34.30 H new ATOM 1821 N GLY A 493 2.316 -11.822 6.300 1.00 50.01 N ATOM 1822 CA GLY A 493 3.308 -10.833 6.757 1.00 21.52 C ATOM 1823 C GLY A 493 3.948 -10.069 5.597 1.00 2.51 C ATOM 1824 O GLY A 493 5.178 -9.956 5.513 1.00 50.52 O ATOM 0 H GLY A 493 1.407 -11.421 6.069 1.00 50.01 H new ATOM 0 HA2 GLY A 493 2.827 -10.126 7.433 1.00 21.52 H new ATOM 0 HA3 GLY A 493 4.086 -11.340 7.328 1.00 21.52 H new ATOM 1828 N PHE A 494 3.105 -9.565 4.682 1.00 11.42 N ATOM 1829 CA PHE A 494 3.528 -8.675 3.573 1.00 12.45 C ATOM 1830 C PHE A 494 2.802 -7.315 3.649 1.00 34.31 C ATOM 1831 O PHE A 494 1.908 -7.109 4.476 1.00 1.11 O ATOM 1832 CB PHE A 494 3.278 -9.342 2.193 1.00 24.30 C ATOM 1833 CG PHE A 494 4.234 -10.486 1.856 1.00 52.33 C ATOM 1834 CD1 PHE A 494 3.974 -11.793 2.269 1.00 62.04 C ATOM 1835 CD2 PHE A 494 5.400 -10.245 1.125 1.00 22.34 C ATOM 1836 CE1 PHE A 494 4.844 -12.822 1.955 1.00 3.04 C ATOM 1837 CE2 PHE A 494 6.267 -11.274 0.814 1.00 61.35 C ATOM 1838 CZ PHE A 494 5.994 -12.561 1.233 1.00 13.41 C ATOM 0 H PHE A 494 2.104 -9.761 4.685 1.00 11.42 H new ATOM 0 HA PHE A 494 4.599 -8.502 3.680 1.00 12.45 H new ATOM 0 HB2 PHE A 494 2.256 -9.720 2.167 1.00 24.30 H new ATOM 0 HB3 PHE A 494 3.356 -8.581 1.417 1.00 24.30 H new ATOM 0 HD1 PHE A 494 3.083 -12.004 2.841 1.00 62.04 H new ATOM 0 HD2 PHE A 494 5.626 -9.241 0.799 1.00 22.34 H new ATOM 0 HE1 PHE A 494 4.625 -13.830 2.274 1.00 3.04 H new ATOM 0 HE2 PHE A 494 7.160 -11.072 0.242 1.00 61.35 H new ATOM 0 HZ PHE A 494 6.678 -13.363 0.997 1.00 13.41 H new ATOM 1848 N ALA A 495 3.194 -6.402 2.750 1.00 64.20 N ATOM 1849 CA ALA A 495 2.703 -5.014 2.725 1.00 44.14 C ATOM 1850 C ALA A 495 2.614 -4.488 1.281 1.00 72.35 C ATOM 1851 O ALA A 495 3.265 -5.016 0.378 1.00 4.44 O ATOM 1852 CB ALA A 495 3.634 -4.141 3.555 1.00 30.31 C ATOM 0 H ALA A 495 3.867 -6.606 2.012 1.00 64.20 H new ATOM 0 HA ALA A 495 1.700 -4.983 3.150 1.00 44.14 H new ATOM 0 HB1 ALA A 495 3.276 -3.111 3.541 1.00 30.31 H new ATOM 0 HB2 ALA A 495 3.654 -4.504 4.583 1.00 30.31 H new ATOM 0 HB3 ALA A 495 4.640 -4.181 3.137 1.00 30.31 H new ATOM 1858 N GLY A 496 1.823 -3.423 1.093 1.00 74.43 N ATOM 1859 CA GLY A 496 1.574 -2.836 -0.227 1.00 34.34 C ATOM 1860 C GLY A 496 2.165 -1.431 -0.387 1.00 70.05 C ATOM 1861 O GLY A 496 1.484 -0.437 -0.135 1.00 61.53 O ATOM 0 H GLY A 496 1.339 -2.945 1.853 1.00 74.43 H new ATOM 0 HA2 GLY A 496 1.994 -3.489 -0.992 1.00 34.34 H new ATOM 0 HA3 GLY A 496 0.499 -2.792 -0.401 1.00 34.34 H new ATOM 1865 N CYS A 497 3.431 -1.342 -0.828 1.00 33.22 N ATOM 1866 CA CYS A 497 4.102 -0.043 -1.080 1.00 43.32 C ATOM 1867 C CYS A 497 3.671 0.532 -2.455 1.00 51.23 C ATOM 1868 O CYS A 497 4.182 0.118 -3.502 1.00 35.44 O ATOM 1869 CB CYS A 497 5.642 -0.199 -1.015 1.00 1.13 C ATOM 1870 SG CYS A 497 6.535 1.366 -1.107 1.00 73.23 S ATOM 0 H CYS A 497 4.017 -2.154 -1.020 1.00 33.22 H new ATOM 0 HA CYS A 497 3.797 0.656 -0.301 1.00 43.32 H new ATOM 0 HB2 CYS A 497 5.908 -0.705 -0.087 1.00 1.13 H new ATOM 0 HB3 CYS A 497 5.968 -0.842 -1.833 1.00 1.13 H new ATOM 0 HG CYS A 497 7.160 1.443 -2.244 1.00 73.23 H new ATOM 1876 N VAL A 498 2.692 1.459 -2.433 1.00 2.43 N ATOM 1877 CA VAL A 498 2.128 2.080 -3.650 1.00 43.44 C ATOM 1878 C VAL A 498 3.027 3.235 -4.156 1.00 25.14 C ATOM 1879 O VAL A 498 3.139 4.269 -3.499 1.00 75.24 O ATOM 1880 CB VAL A 498 0.675 2.629 -3.378 1.00 71.33 C ATOM 1881 CG1 VAL A 498 0.069 3.324 -4.627 1.00 52.23 C ATOM 1882 CG2 VAL A 498 -0.266 1.514 -2.846 1.00 1.34 C ATOM 0 H VAL A 498 2.269 1.799 -1.569 1.00 2.43 H new ATOM 0 HA VAL A 498 2.081 1.307 -4.417 1.00 43.44 H new ATOM 0 HB VAL A 498 0.767 3.387 -2.600 1.00 71.33 H new ATOM 0 HG11 VAL A 498 -0.932 3.686 -4.392 1.00 52.23 H new ATOM 0 HG12 VAL A 498 0.700 4.164 -4.918 1.00 52.23 H new ATOM 0 HG13 VAL A 498 0.013 2.611 -5.449 1.00 52.23 H new ATOM 0 HG21 VAL A 498 -1.258 1.929 -2.670 1.00 1.34 H new ATOM 0 HG22 VAL A 498 -0.333 0.713 -3.582 1.00 1.34 H new ATOM 0 HG23 VAL A 498 0.132 1.117 -1.912 1.00 1.34 H new ATOM 1892 N HIS A 499 3.668 3.038 -5.319 1.00 11.45 N ATOM 1893 CA HIS A 499 4.452 4.091 -6.008 1.00 30.42 C ATOM 1894 C HIS A 499 3.678 4.654 -7.229 1.00 41.23 C ATOM 1895 O HIS A 499 3.091 3.908 -8.021 1.00 12.24 O ATOM 1896 CB HIS A 499 5.834 3.548 -6.462 1.00 52.03 C ATOM 1897 CG HIS A 499 6.814 3.316 -5.336 1.00 3.14 C ATOM 1898 ND1 HIS A 499 7.661 4.194 -4.740 1.00 51.02 N flip ATOM 1899 CD2 HIS A 499 6.984 2.078 -4.762 1.00 21.14 C flip ATOM 1900 CE1 HIS A 499 8.362 3.492 -3.796 1.00 34.40 C flip ATOM 1901 NE2 HIS A 499 7.922 2.228 -3.847 1.00 0.23 N flip ATOM 0 H HIS A 499 3.661 2.146 -5.813 1.00 11.45 H new ATOM 0 HA HIS A 499 4.612 4.900 -5.295 1.00 30.42 H new ATOM 0 HB2 HIS A 499 5.684 2.610 -6.996 1.00 52.03 H new ATOM 0 HB3 HIS A 499 6.272 4.251 -7.170 1.00 52.03 H new ATOM 0 HD1 HIS A 499 7.757 5.187 -4.954 1.00 51.02 H new ATOM 0 HD2 HIS A 499 6.457 1.168 -5.010 1.00 21.14 H new ATOM 0 HE1 HIS A 499 9.123 3.883 -3.137 1.00 34.40 H new ATOM 1909 N PHE A 500 3.704 5.985 -7.366 1.00 10.02 N ATOM 1910 CA PHE A 500 3.116 6.718 -8.501 1.00 34.00 C ATOM 1911 C PHE A 500 4.159 6.827 -9.648 1.00 72.04 C ATOM 1912 O PHE A 500 5.277 7.300 -9.410 1.00 22.10 O ATOM 1913 CB PHE A 500 2.660 8.137 -8.042 1.00 54.23 C ATOM 1914 CG PHE A 500 1.425 8.164 -7.126 1.00 74.12 C ATOM 1915 CD1 PHE A 500 1.368 7.410 -5.945 1.00 23.43 C ATOM 1916 CD2 PHE A 500 0.319 8.961 -7.438 1.00 2.42 C ATOM 1917 CE1 PHE A 500 0.255 7.446 -5.125 1.00 22.01 C ATOM 1918 CE2 PHE A 500 -0.790 8.994 -6.615 1.00 72.43 C ATOM 1919 CZ PHE A 500 -0.824 8.237 -5.459 1.00 20.02 C ATOM 0 H PHE A 500 4.143 6.598 -6.679 1.00 10.02 H new ATOM 0 HA PHE A 500 2.244 6.177 -8.867 1.00 34.00 H new ATOM 0 HB2 PHE A 500 3.489 8.617 -7.522 1.00 54.23 H new ATOM 0 HB3 PHE A 500 2.449 8.737 -8.927 1.00 54.23 H new ATOM 0 HD1 PHE A 500 2.209 6.790 -5.671 1.00 23.43 H new ATOM 0 HD2 PHE A 500 0.332 9.560 -8.336 1.00 2.42 H new ATOM 0 HE1 PHE A 500 0.231 6.854 -4.222 1.00 22.01 H new ATOM 0 HE2 PHE A 500 -1.635 9.614 -6.876 1.00 72.43 H new ATOM 0 HZ PHE A 500 -1.693 8.265 -4.819 1.00 20.02 H new ATOM 1929 N PRO A 501 3.818 6.395 -10.911 1.00 33.52 N ATOM 1930 CA PRO A 501 4.764 6.457 -12.068 1.00 73.32 C ATOM 1931 C PRO A 501 5.120 7.917 -12.491 1.00 64.24 C ATOM 1932 O PRO A 501 6.169 8.167 -13.102 1.00 63.01 O ATOM 1933 CB PRO A 501 4.002 5.695 -13.191 1.00 14.04 C ATOM 1934 CG PRO A 501 2.553 5.838 -12.825 1.00 51.35 C ATOM 1935 CD PRO A 501 2.508 5.808 -11.308 1.00 63.15 C ATOM 0 HA PRO A 501 5.733 6.019 -11.831 1.00 73.32 H new ATOM 0 HB2 PRO A 501 4.208 6.124 -14.172 1.00 14.04 H new ATOM 0 HB3 PRO A 501 4.300 4.647 -13.232 1.00 14.04 H new ATOM 0 HG2 PRO A 501 2.142 6.771 -13.211 1.00 51.35 H new ATOM 0 HG3 PRO A 501 1.960 5.028 -13.250 1.00 51.35 H new ATOM 0 HD2 PRO A 501 1.673 6.390 -10.919 1.00 63.15 H new ATOM 0 HD3 PRO A 501 2.392 4.792 -10.930 1.00 63.15 H new ATOM 2024 N VAL A 508 2.332 14.212 -3.732 1.00 24.03 N ATOM 2025 CA VAL A 508 2.036 12.760 -3.644 1.00 41.00 C ATOM 2026 C VAL A 508 2.784 11.937 -4.729 1.00 33.02 C ATOM 2027 O VAL A 508 2.809 12.301 -5.910 1.00 75.30 O ATOM 2028 CB VAL A 508 0.491 12.469 -3.731 1.00 64.02 C ATOM 2029 CG1 VAL A 508 0.180 10.985 -3.394 1.00 34.43 C ATOM 2030 CG2 VAL A 508 -0.315 13.431 -2.823 1.00 11.10 C ATOM 0 HA VAL A 508 2.397 12.443 -2.666 1.00 41.00 H new ATOM 0 HB VAL A 508 0.179 12.648 -4.760 1.00 64.02 H new ATOM 0 HG11 VAL A 508 -0.894 10.814 -3.462 1.00 34.43 H new ATOM 0 HG12 VAL A 508 0.697 10.335 -4.101 1.00 34.43 H new ATOM 0 HG13 VAL A 508 0.519 10.763 -2.382 1.00 34.43 H new ATOM 0 HG21 VAL A 508 -1.378 13.204 -2.906 1.00 11.10 H new ATOM 0 HG22 VAL A 508 0.003 13.307 -1.788 1.00 11.10 H new ATOM 0 HG23 VAL A 508 -0.138 14.460 -3.136 1.00 11.10 H new ATOM 2040 N ARG A 509 3.359 10.808 -4.297 1.00 14.41 N ATOM 2041 CA ARG A 509 4.228 9.958 -5.131 1.00 35.54 C ATOM 2042 C ARG A 509 4.390 8.537 -4.517 1.00 75.02 C ATOM 2043 O ARG A 509 4.755 7.594 -5.214 1.00 12.35 O ATOM 2044 CB ARG A 509 5.619 10.618 -5.296 1.00 33.34 C ATOM 2045 CG ARG A 509 6.541 9.909 -6.314 1.00 74.32 C ATOM 2046 CD ARG A 509 8.003 10.327 -6.164 1.00 53.11 C ATOM 2047 NE ARG A 509 8.518 10.014 -4.814 1.00 41.32 N ATOM 2048 CZ ARG A 509 9.780 10.002 -4.458 1.00 31.33 C ATOM 2049 NH1 ARG A 509 10.722 10.264 -5.298 1.00 74.12 N ATOM 2050 NH2 ARG A 509 10.099 9.721 -3.245 1.00 3.23 N ATOM 0 H ARG A 509 3.235 10.452 -3.349 1.00 14.41 H new ATOM 0 HA ARG A 509 3.755 9.855 -6.108 1.00 35.54 H new ATOM 0 HB2 ARG A 509 5.482 11.654 -5.607 1.00 33.34 H new ATOM 0 HB3 ARG A 509 6.116 10.639 -4.326 1.00 33.34 H new ATOM 0 HG2 ARG A 509 6.459 8.830 -6.184 1.00 74.32 H new ATOM 0 HG3 ARG A 509 6.203 10.135 -7.325 1.00 74.32 H new ATOM 0 HD2 ARG A 509 8.608 9.816 -6.913 1.00 53.11 H new ATOM 0 HD3 ARG A 509 8.098 11.396 -6.353 1.00 53.11 H new ATOM 0 HE ARG A 509 7.830 9.787 -4.096 1.00 41.32 H new ATOM 0 HH11 ARG A 509 10.494 10.488 -6.267 1.00 74.12 H new ATOM 0 HH12 ARG A 509 11.696 10.248 -4.994 1.00 74.12 H new ATOM 0 HH21 ARG A 509 9.371 9.508 -2.563 1.00 3.23 H new ATOM 0 HH22 ARG A 509 11.080 9.711 -2.965 1.00 3.23 H new ATOM 2064 N VAL A 510 4.133 8.396 -3.204 1.00 32.20 N ATOM 2065 CA VAL A 510 4.218 7.089 -2.514 1.00 42.54 C ATOM 2066 C VAL A 510 3.313 7.055 -1.258 1.00 64.14 C ATOM 2067 O VAL A 510 3.077 8.079 -0.621 1.00 21.41 O ATOM 2068 CB VAL A 510 5.709 6.727 -2.134 1.00 34.03 C ATOM 2069 CG1 VAL A 510 6.302 7.706 -1.086 1.00 42.04 C ATOM 2070 CG2 VAL A 510 5.840 5.242 -1.692 1.00 71.13 C ATOM 0 H VAL A 510 3.864 9.170 -2.596 1.00 32.20 H new ATOM 0 HA VAL A 510 3.858 6.334 -3.213 1.00 42.54 H new ATOM 0 HB VAL A 510 6.308 6.847 -3.037 1.00 34.03 H new ATOM 0 HG11 VAL A 510 7.328 7.416 -0.857 1.00 42.04 H new ATOM 0 HG12 VAL A 510 6.292 8.719 -1.488 1.00 42.04 H new ATOM 0 HG13 VAL A 510 5.703 7.671 -0.176 1.00 42.04 H new ATOM 0 HG21 VAL A 510 6.878 5.028 -1.438 1.00 71.13 H new ATOM 0 HG22 VAL A 510 5.210 5.065 -0.821 1.00 71.13 H new ATOM 0 HG23 VAL A 510 5.524 4.591 -2.507 1.00 71.13 H new ATOM 2080 N LEU A 511 2.760 5.871 -0.953 1.00 42.31 N ATOM 2081 CA LEU A 511 2.032 5.611 0.304 1.00 55.34 C ATOM 2082 C LEU A 511 2.104 4.113 0.678 1.00 20.42 C ATOM 2083 O LEU A 511 2.497 3.276 -0.138 1.00 1.24 O ATOM 2084 CB LEU A 511 0.566 6.134 0.191 1.00 44.30 C ATOM 2085 CG LEU A 511 -0.354 5.496 -0.920 1.00 20.34 C ATOM 2086 CD1 LEU A 511 -1.087 4.227 -0.424 1.00 23.01 C ATOM 2087 CD2 LEU A 511 -1.360 6.524 -1.489 1.00 21.34 C ATOM 0 H LEU A 511 2.804 5.062 -1.572 1.00 42.31 H new ATOM 0 HA LEU A 511 2.509 6.157 1.118 1.00 55.34 H new ATOM 0 HB2 LEU A 511 0.081 5.984 1.155 1.00 44.30 H new ATOM 0 HB3 LEU A 511 0.606 7.209 0.018 1.00 44.30 H new ATOM 0 HG LEU A 511 0.311 5.190 -1.728 1.00 20.34 H new ATOM 0 HD11 LEU A 511 -1.707 3.827 -1.227 1.00 23.01 H new ATOM 0 HD12 LEU A 511 -0.355 3.478 -0.124 1.00 23.01 H new ATOM 0 HD13 LEU A 511 -1.717 4.481 0.429 1.00 23.01 H new ATOM 0 HD21 LEU A 511 -1.976 6.047 -2.251 1.00 21.34 H new ATOM 0 HD22 LEU A 511 -1.998 6.892 -0.685 1.00 21.34 H new ATOM 0 HD23 LEU A 511 -0.816 7.359 -1.932 1.00 21.34 H new ATOM 2099 N MET A 512 1.734 3.790 1.925 1.00 72.53 N ATOM 2100 CA MET A 512 1.628 2.396 2.405 1.00 35.12 C ATOM 2101 C MET A 512 0.170 1.918 2.398 1.00 2.41 C ATOM 2102 O MET A 512 -0.748 2.674 2.704 1.00 42.31 O ATOM 2103 CB MET A 512 2.248 2.243 3.835 1.00 31.24 C ATOM 2104 CG MET A 512 3.628 1.602 3.813 1.00 31.30 C ATOM 2105 SD MET A 512 3.571 -0.024 3.030 1.00 44.52 S ATOM 2106 CE MET A 512 5.306 -0.355 2.772 1.00 73.41 C ATOM 0 H MET A 512 1.499 4.485 2.633 1.00 72.53 H new ATOM 0 HA MET A 512 2.196 1.768 1.718 1.00 35.12 H new ATOM 0 HB2 MET A 512 2.316 3.225 4.304 1.00 31.24 H new ATOM 0 HB3 MET A 512 1.582 1.640 4.452 1.00 31.24 H new ATOM 0 HG2 MET A 512 4.324 2.245 3.274 1.00 31.30 H new ATOM 0 HG3 MET A 512 4.005 1.507 4.831 1.00 31.30 H new ATOM 0 HE1 MET A 512 5.436 -1.392 2.462 1.00 73.41 H new ATOM 0 HE2 MET A 512 5.691 0.307 1.997 1.00 73.41 H new ATOM 0 HE3 MET A 512 5.851 -0.183 3.700 1.00 73.41 H new ATOM 2116 N LEU A 513 -0.008 0.649 2.036 1.00 61.01 N ATOM 2117 CA LEU A 513 -1.282 -0.062 2.144 1.00 34.50 C ATOM 2118 C LEU A 513 -1.064 -1.278 3.068 1.00 31.01 C ATOM 2119 O LEU A 513 -0.279 -2.178 2.753 1.00 34.45 O ATOM 2120 CB LEU A 513 -1.764 -0.512 0.742 1.00 14.45 C ATOM 2121 CG LEU A 513 -3.128 -1.271 0.708 1.00 15.42 C ATOM 2122 CD1 LEU A 513 -4.286 -0.351 1.127 1.00 21.41 C ATOM 2123 CD2 LEU A 513 -3.381 -1.924 -0.671 1.00 41.44 C ATOM 0 H LEU A 513 0.743 0.075 1.652 1.00 61.01 H new ATOM 0 HA LEU A 513 -2.051 0.588 2.561 1.00 34.50 H new ATOM 0 HB2 LEU A 513 -1.843 0.369 0.105 1.00 14.45 H new ATOM 0 HB3 LEU A 513 -1.000 -1.155 0.304 1.00 14.45 H new ATOM 0 HG LEU A 513 -3.075 -2.080 1.437 1.00 15.42 H new ATOM 0 HD11 LEU A 513 -5.223 -0.907 1.094 1.00 21.41 H new ATOM 0 HD12 LEU A 513 -4.115 0.011 2.141 1.00 21.41 H new ATOM 0 HD13 LEU A 513 -4.343 0.497 0.444 1.00 21.41 H new ATOM 0 HD21 LEU A 513 -4.339 -2.443 -0.657 1.00 41.44 H new ATOM 0 HD22 LEU A 513 -3.397 -1.153 -1.441 1.00 41.44 H new ATOM 0 HD23 LEU A 513 -2.585 -2.637 -0.888 1.00 41.44 H new ATOM 2135 N LEU A 514 -1.750 -1.281 4.214 1.00 44.43 N ATOM 2136 CA LEU A 514 -1.562 -2.279 5.284 1.00 2.21 C ATOM 2137 C LEU A 514 -2.935 -2.826 5.717 1.00 54.43 C ATOM 2138 O LEU A 514 -3.725 -2.114 6.342 1.00 14.41 O ATOM 2139 CB LEU A 514 -0.827 -1.616 6.490 1.00 23.44 C ATOM 2140 CG LEU A 514 0.633 -1.135 6.199 1.00 54.00 C ATOM 2141 CD1 LEU A 514 1.190 -0.251 7.335 1.00 32.41 C ATOM 2142 CD2 LEU A 514 1.568 -2.331 5.913 1.00 14.13 C ATOM 0 H LEU A 514 -2.462 -0.584 4.433 1.00 44.43 H new ATOM 0 HA LEU A 514 -0.954 -3.107 4.919 1.00 2.21 H new ATOM 0 HB2 LEU A 514 -1.414 -0.761 6.827 1.00 23.44 H new ATOM 0 HB3 LEU A 514 -0.800 -2.329 7.314 1.00 23.44 H new ATOM 0 HG LEU A 514 0.593 -0.516 5.303 1.00 54.00 H new ATOM 0 HD11 LEU A 514 2.206 0.060 7.090 1.00 32.41 H new ATOM 0 HD12 LEU A 514 0.560 0.630 7.453 1.00 32.41 H new ATOM 0 HD13 LEU A 514 1.199 -0.818 8.266 1.00 32.41 H new ATOM 0 HD21 LEU A 514 2.576 -1.966 5.714 1.00 14.13 H new ATOM 0 HD22 LEU A 514 1.586 -2.994 6.778 1.00 14.13 H new ATOM 0 HD23 LEU A 514 1.203 -2.879 5.044 1.00 14.13 H new ATOM 2154 N TYR A 515 -3.222 -4.078 5.343 1.00 0.22 N ATOM 2155 CA TYR A 515 -4.472 -4.750 5.734 1.00 5.34 C ATOM 2156 C TYR A 515 -4.465 -5.057 7.254 1.00 71.01 C ATOM 2157 O TYR A 515 -3.602 -5.784 7.749 1.00 42.10 O ATOM 2158 CB TYR A 515 -4.675 -6.040 4.900 1.00 43.14 C ATOM 2159 CG TYR A 515 -5.949 -6.825 5.238 1.00 50.13 C ATOM 2160 CD1 TYR A 515 -7.187 -6.180 5.349 1.00 15.55 C ATOM 2161 CD2 TYR A 515 -5.915 -8.207 5.450 1.00 52.42 C ATOM 2162 CE1 TYR A 515 -8.333 -6.889 5.659 1.00 1.54 C ATOM 2163 CE2 TYR A 515 -7.062 -8.909 5.758 1.00 41.20 C ATOM 2164 CZ TYR A 515 -8.262 -8.248 5.864 1.00 71.41 C ATOM 2165 OH TYR A 515 -9.405 -8.955 6.169 1.00 74.41 O ATOM 0 H TYR A 515 -2.604 -4.651 4.768 1.00 0.22 H new ATOM 0 HA TYR A 515 -5.310 -4.084 5.529 1.00 5.34 H new ATOM 0 HB2 TYR A 515 -4.698 -5.774 3.843 1.00 43.14 H new ATOM 0 HB3 TYR A 515 -3.813 -6.691 5.046 1.00 43.14 H new ATOM 0 HD1 TYR A 515 -7.248 -5.113 5.190 1.00 15.55 H new ATOM 0 HD2 TYR A 515 -4.975 -8.733 5.371 1.00 52.42 H new ATOM 0 HE1 TYR A 515 -9.281 -6.378 5.740 1.00 1.54 H new ATOM 0 HE2 TYR A 515 -7.017 -9.976 5.916 1.00 41.20 H new ATOM 0 HH TYR A 515 -9.183 -9.903 6.282 1.00 74.41 H new ATOM 2175 N SER A 516 -5.446 -4.477 7.969 1.00 64.40 N ATOM 2176 CA SER A 516 -5.586 -4.588 9.443 1.00 21.24 C ATOM 2177 C SER A 516 -5.952 -6.025 9.911 1.00 43.32 C ATOM 2178 O SER A 516 -5.660 -6.402 11.047 1.00 12.34 O ATOM 2179 CB SER A 516 -6.680 -3.611 9.911 1.00 63.41 C ATOM 2180 OG SER A 516 -7.924 -3.910 9.292 1.00 42.10 O ATOM 0 H SER A 516 -6.176 -3.909 7.539 1.00 64.40 H new ATOM 0 HA SER A 516 -4.619 -4.344 9.883 1.00 21.24 H new ATOM 0 HB2 SER A 516 -6.785 -3.668 10.994 1.00 63.41 H new ATOM 0 HB3 SER A 516 -6.387 -2.589 9.673 1.00 63.41 H new ATOM 0 HG SER A 516 -7.924 -3.566 8.374 1.00 42.10 H new ATOM 2186 N SER A 517 -6.632 -6.782 9.021 1.00 73.41 N ATOM 2187 CA SER A 517 -7.110 -8.179 9.262 1.00 30.40 C ATOM 2188 C SER A 517 -8.278 -8.243 10.280 1.00 11.43 C ATOM 2189 O SER A 517 -9.415 -8.559 9.910 1.00 74.44 O ATOM 2190 CB SER A 517 -5.952 -9.140 9.657 1.00 60.23 C ATOM 2191 OG SER A 517 -4.944 -9.185 8.655 1.00 31.51 O ATOM 0 H SER A 517 -6.874 -6.439 8.091 1.00 73.41 H new ATOM 0 HA SER A 517 -7.505 -8.529 8.308 1.00 30.40 H new ATOM 0 HB2 SER A 517 -5.514 -8.814 10.600 1.00 60.23 H new ATOM 0 HB3 SER A 517 -6.349 -10.142 9.819 1.00 60.23 H new ATOM 0 HG SER A 517 -5.329 -8.924 7.792 1.00 31.51 H new ATOM 2197 N LYS A 518 -7.983 -7.936 11.551 1.00 11.44 N ATOM 2198 CA LYS A 518 -8.975 -7.923 12.655 1.00 5.41 C ATOM 2199 C LYS A 518 -10.115 -6.889 12.401 1.00 63.21 C ATOM 2200 O LYS A 518 -11.297 -7.177 12.632 1.00 60.42 O ATOM 2201 CB LYS A 518 -8.236 -7.609 13.984 1.00 75.13 C ATOM 2202 CG LYS A 518 -9.118 -7.611 15.251 1.00 64.21 C ATOM 2203 CD LYS A 518 -8.303 -7.301 16.527 1.00 22.14 C ATOM 2204 CE LYS A 518 -9.160 -7.327 17.801 1.00 24.35 C ATOM 2205 NZ LYS A 518 -8.347 -7.075 19.013 1.00 42.05 N ATOM 0 H LYS A 518 -7.041 -7.686 11.853 1.00 11.44 H new ATOM 0 HA LYS A 518 -9.448 -8.903 12.713 1.00 5.41 H new ATOM 0 HB2 LYS A 518 -7.438 -8.339 14.117 1.00 75.13 H new ATOM 0 HB3 LYS A 518 -7.762 -6.632 13.894 1.00 75.13 H new ATOM 0 HG2 LYS A 518 -9.912 -6.873 15.140 1.00 64.21 H new ATOM 0 HG3 LYS A 518 -9.599 -8.584 15.356 1.00 64.21 H new ATOM 0 HD2 LYS A 518 -7.496 -8.027 16.623 1.00 22.14 H new ATOM 0 HD3 LYS A 518 -7.839 -6.320 16.427 1.00 22.14 H new ATOM 0 HE2 LYS A 518 -9.945 -6.575 17.727 1.00 24.35 H new ATOM 0 HE3 LYS A 518 -9.653 -8.295 17.888 1.00 24.35 H new ATOM 0 HZ1 LYS A 518 -8.959 -7.100 19.853 1.00 42.05 H new ATOM 0 HZ2 LYS A 518 -7.613 -7.807 19.097 1.00 42.05 H new ATOM 0 HZ3 LYS A 518 -7.897 -6.140 18.941 1.00 42.05 H new ATOM 2219 N LYS A 519 -9.736 -5.685 11.921 1.00 51.21 N ATOM 2220 CA LYS A 519 -10.698 -4.606 11.561 1.00 54.25 C ATOM 2221 C LYS A 519 -11.313 -4.816 10.145 1.00 43.41 C ATOM 2222 O LYS A 519 -12.316 -4.177 9.807 1.00 73.51 O ATOM 2223 CB LYS A 519 -9.993 -3.223 11.641 1.00 64.30 C ATOM 2224 CG LYS A 519 -9.514 -2.807 13.055 1.00 2.43 C ATOM 2225 CD LYS A 519 -10.684 -2.414 13.993 1.00 33.53 C ATOM 2226 CE LYS A 519 -11.452 -1.172 13.501 1.00 34.12 C ATOM 2227 NZ LYS A 519 -12.556 -0.788 14.418 1.00 5.24 N ATOM 0 H LYS A 519 -8.760 -5.428 11.770 1.00 51.21 H new ATOM 0 HA LYS A 519 -11.518 -4.642 12.278 1.00 54.25 H new ATOM 0 HB2 LYS A 519 -9.133 -3.232 10.972 1.00 64.30 H new ATOM 0 HB3 LYS A 519 -10.678 -2.462 11.268 1.00 64.30 H new ATOM 0 HG2 LYS A 519 -8.957 -3.630 13.502 1.00 2.43 H new ATOM 0 HG3 LYS A 519 -8.826 -1.966 12.968 1.00 2.43 H new ATOM 0 HD2 LYS A 519 -11.375 -3.253 14.076 1.00 33.53 H new ATOM 0 HD3 LYS A 519 -10.294 -2.222 14.992 1.00 33.53 H new ATOM 0 HE2 LYS A 519 -10.759 -0.336 13.401 1.00 34.12 H new ATOM 0 HE3 LYS A 519 -11.859 -1.369 12.509 1.00 34.12 H new ATOM 0 HZ1 LYS A 519 -13.042 0.052 14.044 1.00 5.24 H new ATOM 0 HZ2 LYS A 519 -13.233 -1.574 14.495 1.00 5.24 H new ATOM 0 HZ3 LYS A 519 -12.167 -0.573 15.358 1.00 5.24 H new ATOM 2241 N LYS A 520 -10.678 -5.694 9.327 1.00 31.33 N ATOM 2242 CA LYS A 520 -11.121 -6.047 7.937 1.00 34.44 C ATOM 2243 C LYS A 520 -10.983 -4.878 6.918 1.00 11.13 C ATOM 2244 O LYS A 520 -11.358 -5.024 5.749 1.00 24.21 O ATOM 2245 CB LYS A 520 -12.573 -6.616 7.932 1.00 44.30 C ATOM 2246 CG LYS A 520 -12.734 -7.983 8.634 1.00 12.42 C ATOM 2247 CD LYS A 520 -12.188 -9.158 7.795 1.00 60.15 C ATOM 2248 CE LYS A 520 -12.385 -10.520 8.483 1.00 23.35 C ATOM 2249 NZ LYS A 520 -13.816 -10.792 8.784 1.00 60.41 N ATOM 0 H LYS A 520 -9.832 -6.188 9.610 1.00 31.33 H new ATOM 0 HA LYS A 520 -10.436 -6.825 7.601 1.00 34.44 H new ATOM 0 HB2 LYS A 520 -13.233 -5.895 8.415 1.00 44.30 H new ATOM 0 HB3 LYS A 520 -12.907 -6.712 6.899 1.00 44.30 H new ATOM 0 HG2 LYS A 520 -12.216 -7.956 9.593 1.00 12.42 H new ATOM 0 HG3 LYS A 520 -13.789 -8.154 8.846 1.00 12.42 H new ATOM 0 HD2 LYS A 520 -12.686 -9.170 6.826 1.00 60.15 H new ATOM 0 HD3 LYS A 520 -11.126 -9.001 7.606 1.00 60.15 H new ATOM 0 HE2 LYS A 520 -11.993 -11.310 7.842 1.00 23.35 H new ATOM 0 HE3 LYS A 520 -11.809 -10.545 9.408 1.00 23.35 H new ATOM 0 HZ1 LYS A 520 -13.927 -11.785 9.072 1.00 60.41 H new ATOM 0 HZ2 LYS A 520 -14.133 -10.170 9.555 1.00 60.41 H new ATOM 0 HZ3 LYS A 520 -14.390 -10.612 7.935 1.00 60.41 H new ATOM 2263 N ILE A 521 -10.412 -3.742 7.353 1.00 70.41 N ATOM 2264 CA ILE A 521 -10.218 -2.546 6.496 1.00 53.22 C ATOM 2265 C ILE A 521 -8.753 -2.436 6.012 1.00 14.22 C ATOM 2266 O ILE A 521 -7.839 -3.031 6.600 1.00 22.31 O ATOM 2267 CB ILE A 521 -10.647 -1.232 7.251 1.00 33.04 C ATOM 2268 CG1 ILE A 521 -9.772 -1.006 8.529 1.00 43.10 C ATOM 2269 CG2 ILE A 521 -12.154 -1.269 7.596 1.00 5.11 C ATOM 2270 CD1 ILE A 521 -10.205 0.142 9.427 1.00 0.31 C ATOM 0 H ILE A 521 -10.070 -3.621 8.306 1.00 70.41 H new ATOM 0 HA ILE A 521 -10.858 -2.663 5.621 1.00 53.22 H new ATOM 0 HB ILE A 521 -10.477 -0.385 6.586 1.00 33.04 H new ATOM 0 HG12 ILE A 521 -9.775 -1.924 9.116 1.00 43.10 H new ATOM 0 HG13 ILE A 521 -8.743 -0.831 8.216 1.00 43.10 H new ATOM 0 HG21 ILE A 521 -12.431 -0.352 8.117 1.00 5.11 H new ATOM 0 HG22 ILE A 521 -12.735 -1.354 6.678 1.00 5.11 H new ATOM 0 HG23 ILE A 521 -12.360 -2.127 8.236 1.00 5.11 H new ATOM 0 HD11 ILE A 521 -9.532 0.210 10.281 1.00 0.31 H new ATOM 0 HD12 ILE A 521 -10.173 1.075 8.865 1.00 0.31 H new ATOM 0 HD13 ILE A 521 -11.221 -0.035 9.779 1.00 0.31 H new ATOM 2282 N PHE A 522 -8.547 -1.675 4.933 1.00 74.00 N ATOM 2283 CA PHE A 522 -7.216 -1.443 4.348 1.00 60.15 C ATOM 2284 C PHE A 522 -6.703 -0.038 4.733 1.00 64.10 C ATOM 2285 O PHE A 522 -7.213 0.984 4.259 1.00 2.42 O ATOM 2286 CB PHE A 522 -7.280 -1.646 2.814 1.00 22.31 C ATOM 2287 CG PHE A 522 -7.441 -3.110 2.404 1.00 70.14 C ATOM 2288 CD1 PHE A 522 -8.680 -3.751 2.481 1.00 31.44 C ATOM 2289 CD2 PHE A 522 -6.343 -3.850 1.960 1.00 23.45 C ATOM 2290 CE1 PHE A 522 -8.812 -5.080 2.122 1.00 32.11 C ATOM 2291 CE2 PHE A 522 -6.479 -5.177 1.603 1.00 61.13 C ATOM 2292 CZ PHE A 522 -7.708 -5.790 1.684 1.00 33.22 C ATOM 0 H PHE A 522 -9.300 -1.199 4.436 1.00 74.00 H new ATOM 0 HA PHE A 522 -6.503 -2.165 4.748 1.00 60.15 H new ATOM 0 HB2 PHE A 522 -8.114 -1.070 2.413 1.00 22.31 H new ATOM 0 HB3 PHE A 522 -6.371 -1.248 2.363 1.00 22.31 H new ATOM 0 HD1 PHE A 522 -9.544 -3.202 2.825 1.00 31.44 H new ATOM 0 HD2 PHE A 522 -5.374 -3.378 1.895 1.00 23.45 H new ATOM 0 HE1 PHE A 522 -9.776 -5.563 2.183 1.00 32.11 H new ATOM 0 HE2 PHE A 522 -5.620 -5.734 1.260 1.00 61.13 H new ATOM 0 HZ PHE A 522 -7.811 -6.828 1.405 1.00 33.22 H new ATOM 2302 N MET A 523 -5.708 -0.022 5.629 1.00 64.01 N ATOM 2303 CA MET A 523 -5.107 1.217 6.164 1.00 14.41 C ATOM 2304 C MET A 523 -4.146 1.863 5.127 1.00 41.22 C ATOM 2305 O MET A 523 -3.258 1.196 4.598 1.00 33.02 O ATOM 2306 CB MET A 523 -4.320 0.889 7.464 1.00 32.12 C ATOM 2307 CG MET A 523 -5.123 0.164 8.564 1.00 24.32 C ATOM 2308 SD MET A 523 -6.470 1.157 9.233 1.00 53.34 S ATOM 2309 CE MET A 523 -6.845 0.275 10.752 1.00 64.15 C ATOM 0 H MET A 523 -5.291 -0.872 6.009 1.00 64.01 H new ATOM 0 HA MET A 523 -5.908 1.924 6.379 1.00 14.41 H new ATOM 0 HB2 MET A 523 -3.460 0.273 7.201 1.00 32.12 H new ATOM 0 HB3 MET A 523 -3.931 1.820 7.877 1.00 32.12 H new ATOM 0 HG2 MET A 523 -5.530 -0.761 8.157 1.00 24.32 H new ATOM 0 HG3 MET A 523 -4.448 -0.114 9.374 1.00 24.32 H new ATOM 0 HE1 MET A 523 -7.475 0.897 11.388 1.00 64.15 H new ATOM 0 HE2 MET A 523 -7.370 -0.650 10.515 1.00 64.15 H new ATOM 0 HE3 MET A 523 -5.918 0.042 11.276 1.00 64.15 H new ATOM 2319 N GLY A 524 -4.337 3.162 4.856 1.00 4.12 N ATOM 2320 CA GLY A 524 -3.451 3.930 3.962 1.00 51.22 C ATOM 2321 C GLY A 524 -2.612 4.951 4.741 1.00 3.34 C ATOM 2322 O GLY A 524 -3.146 5.663 5.590 1.00 4.05 O ATOM 0 H GLY A 524 -5.104 3.709 5.246 1.00 4.12 H new ATOM 0 HA2 GLY A 524 -2.790 3.247 3.428 1.00 51.22 H new ATOM 0 HA3 GLY A 524 -4.049 4.446 3.211 1.00 51.22 H new ATOM 2326 N LEU A 525 -1.293 5.021 4.470 1.00 31.21 N ATOM 2327 CA LEU A 525 -0.365 5.963 5.163 1.00 62.11 C ATOM 2328 C LEU A 525 0.498 6.737 4.137 1.00 14.35 C ATOM 2329 O LEU A 525 1.413 6.173 3.551 1.00 42.23 O ATOM 2330 CB LEU A 525 0.543 5.165 6.150 1.00 54.24 C ATOM 2331 CG LEU A 525 -0.180 4.574 7.406 1.00 61.30 C ATOM 2332 CD1 LEU A 525 0.691 3.521 8.119 1.00 15.44 C ATOM 2333 CD2 LEU A 525 -0.598 5.701 8.382 1.00 23.41 C ATOM 0 H LEU A 525 -0.835 4.435 3.772 1.00 31.21 H new ATOM 0 HA LEU A 525 -0.952 6.691 5.723 1.00 62.11 H new ATOM 0 HB2 LEU A 525 1.011 4.346 5.604 1.00 54.24 H new ATOM 0 HB3 LEU A 525 1.344 5.821 6.489 1.00 54.24 H new ATOM 0 HG LEU A 525 -1.083 4.070 7.060 1.00 61.30 H new ATOM 0 HD11 LEU A 525 0.156 3.133 8.986 1.00 15.44 H new ATOM 0 HD12 LEU A 525 0.909 2.704 7.432 1.00 15.44 H new ATOM 0 HD13 LEU A 525 1.624 3.981 8.444 1.00 15.44 H new ATOM 0 HD21 LEU A 525 -1.099 5.266 9.247 1.00 23.41 H new ATOM 0 HD22 LEU A 525 0.288 6.245 8.711 1.00 23.41 H new ATOM 0 HD23 LEU A 525 -1.278 6.387 7.876 1.00 23.41 H new ATOM 2345 N ILE A 526 0.207 8.042 3.948 1.00 4.41 N ATOM 2346 CA ILE A 526 0.954 8.921 3.011 1.00 1.42 C ATOM 2347 C ILE A 526 2.042 9.723 3.784 1.00 55.11 C ATOM 2348 O ILE A 526 1.711 10.708 4.463 1.00 1.22 O ATOM 2349 CB ILE A 526 -0.024 9.916 2.265 1.00 25.43 C ATOM 2350 CG1 ILE A 526 -1.159 9.133 1.527 1.00 32.05 C ATOM 2351 CG2 ILE A 526 0.757 10.853 1.302 1.00 60.53 C ATOM 2352 CD1 ILE A 526 -2.217 10.005 0.864 1.00 24.20 C ATOM 0 H ILE A 526 -0.550 8.519 4.438 1.00 4.41 H new ATOM 0 HA ILE A 526 1.435 8.291 2.263 1.00 1.42 H new ATOM 0 HB ILE A 526 -0.500 10.551 3.012 1.00 25.43 H new ATOM 0 HG12 ILE A 526 -0.706 8.497 0.767 1.00 32.05 H new ATOM 0 HG13 ILE A 526 -1.650 8.474 2.243 1.00 32.05 H new ATOM 0 HG21 ILE A 526 0.059 11.526 0.803 1.00 60.53 H new ATOM 0 HG22 ILE A 526 1.481 11.437 1.870 1.00 60.53 H new ATOM 0 HG23 ILE A 526 1.280 10.254 0.556 1.00 60.53 H new ATOM 0 HD11 ILE A 526 -2.959 9.371 0.379 1.00 24.20 H new ATOM 0 HD12 ILE A 526 -2.704 10.623 1.618 1.00 24.20 H new ATOM 0 HD13 ILE A 526 -1.746 10.646 0.119 1.00 24.20 H new ATOM 2364 N PRO A 527 3.357 9.308 3.723 1.00 65.34 N ATOM 2365 CA PRO A 527 4.450 9.982 4.468 1.00 13.23 C ATOM 2366 C PRO A 527 4.831 11.361 3.866 1.00 43.50 C ATOM 2367 O PRO A 527 5.195 11.445 2.707 1.00 23.11 O ATOM 2368 CB PRO A 527 5.638 8.961 4.392 1.00 25.23 C ATOM 2369 CG PRO A 527 5.042 7.704 3.814 1.00 74.43 C ATOM 2370 CD PRO A 527 3.891 8.161 2.949 1.00 10.55 C ATOM 0 HA PRO A 527 4.159 10.218 5.492 1.00 13.23 H new ATOM 0 HB2 PRO A 527 6.443 9.340 3.763 1.00 25.23 H new ATOM 0 HB3 PRO A 527 6.063 8.778 5.379 1.00 25.23 H new ATOM 0 HG2 PRO A 527 5.779 7.154 3.228 1.00 74.43 H new ATOM 0 HG3 PRO A 527 4.698 7.035 4.603 1.00 74.43 H new ATOM 0 HD2 PRO A 527 4.222 8.459 1.954 1.00 10.55 H new ATOM 0 HD3 PRO A 527 3.145 7.377 2.815 1.00 10.55 H new ATOM 2378 N TYR A 528 4.745 12.436 4.673 1.00 33.01 N ATOM 2379 CA TYR A 528 5.205 13.800 4.277 1.00 24.33 C ATOM 2380 C TYR A 528 6.688 13.782 3.833 1.00 13.42 C ATOM 2381 O TYR A 528 7.102 14.557 2.964 1.00 71.21 O ATOM 2382 CB TYR A 528 4.977 14.801 5.444 1.00 63.00 C ATOM 2383 CG TYR A 528 3.490 15.112 5.698 1.00 4.43 C ATOM 2384 CD1 TYR A 528 2.605 14.115 6.122 1.00 22.24 C ATOM 2385 CD2 TYR A 528 2.968 16.398 5.507 1.00 4.35 C ATOM 2386 CE1 TYR A 528 1.271 14.382 6.326 1.00 64.41 C ATOM 2387 CE2 TYR A 528 1.627 16.667 5.714 1.00 32.02 C ATOM 2388 CZ TYR A 528 0.787 15.661 6.129 1.00 33.24 C ATOM 2389 OH TYR A 528 -0.548 15.929 6.345 1.00 61.24 O ATOM 0 H TYR A 528 4.358 12.394 5.616 1.00 33.01 H new ATOM 0 HA TYR A 528 4.615 14.130 3.422 1.00 24.33 H new ATOM 0 HB2 TYR A 528 5.416 14.393 6.354 1.00 63.00 H new ATOM 0 HB3 TYR A 528 5.503 15.730 5.225 1.00 63.00 H new ATOM 0 HD1 TYR A 528 2.977 13.115 6.293 1.00 22.24 H new ATOM 0 HD2 TYR A 528 3.625 17.195 5.192 1.00 4.35 H new ATOM 0 HE1 TYR A 528 0.603 13.593 6.640 1.00 64.41 H new ATOM 0 HE2 TYR A 528 1.242 17.663 5.550 1.00 32.02 H new ATOM 0 HH TYR A 528 -0.653 16.860 6.631 1.00 61.24 H new ATOM 2399 N ASP A 529 7.467 12.874 4.440 1.00 14.11 N ATOM 2400 CA ASP A 529 8.768 12.454 3.909 1.00 54.42 C ATOM 2401 C ASP A 529 8.561 11.387 2.800 1.00 44.01 C ATOM 2402 O ASP A 529 8.694 10.188 3.036 1.00 22.50 O ATOM 2403 CB ASP A 529 9.658 11.931 5.064 1.00 34.03 C ATOM 2404 CG ASP A 529 9.950 13.027 6.103 1.00 14.42 C ATOM 2405 OD1 ASP A 529 9.130 13.229 7.023 1.00 34.12 O ATOM 2406 OD2 ASP A 529 10.977 13.728 5.975 1.00 63.05 O ATOM 0 H ASP A 529 7.211 12.412 5.312 1.00 14.11 H new ATOM 0 HA ASP A 529 9.281 13.303 3.457 1.00 54.42 H new ATOM 0 HB2 ASP A 529 9.164 11.091 5.552 1.00 34.03 H new ATOM 0 HB3 ASP A 529 10.597 11.556 4.658 1.00 34.03 H new ATOM 2411 N GLN A 530 8.156 11.852 1.600 1.00 4.20 N ATOM 2412 CA GLN A 530 7.975 10.991 0.401 1.00 64.31 C ATOM 2413 C GLN A 530 9.334 10.447 -0.083 1.00 1.33 C ATOM 2414 O GLN A 530 9.493 9.241 -0.307 1.00 55.54 O ATOM 2415 CB GLN A 530 7.283 11.801 -0.735 1.00 35.31 C ATOM 2416 CG GLN A 530 5.831 12.233 -0.429 1.00 42.04 C ATOM 2417 CD GLN A 530 4.789 11.128 -0.635 1.00 5.24 C ATOM 2418 OE1 GLN A 530 4.204 11.005 -1.697 1.00 75.13 O ATOM 2419 NE2 GLN A 530 4.598 10.273 0.345 1.00 14.14 N ATOM 0 H GLN A 530 7.944 12.835 1.430 1.00 4.20 H new ATOM 0 HA GLN A 530 7.342 10.145 0.670 1.00 64.31 H new ATOM 0 HB2 GLN A 530 7.877 12.692 -0.941 1.00 35.31 H new ATOM 0 HB3 GLN A 530 7.285 11.200 -1.644 1.00 35.31 H new ATOM 0 HG2 GLN A 530 5.777 12.580 0.603 1.00 42.04 H new ATOM 0 HG3 GLN A 530 5.575 13.081 -1.064 1.00 42.04 H new ATOM 0 HE21 GLN A 530 5.095 10.390 1.228 1.00 14.14 H new ATOM 0 HE22 GLN A 530 3.953 9.493 0.223 1.00 14.14 H new ATOM 2428 N SER A 531 10.305 11.362 -0.247 1.00 11.41 N ATOM 2429 CA SER A 531 11.698 11.011 -0.617 1.00 74.51 C ATOM 2430 C SER A 531 12.419 10.284 0.542 1.00 63.20 C ATOM 2431 O SER A 531 13.259 9.418 0.300 1.00 41.31 O ATOM 2432 CB SER A 531 12.482 12.276 -1.037 1.00 2.34 C ATOM 2433 OG SER A 531 11.906 12.878 -2.187 1.00 25.44 O ATOM 0 H SER A 531 10.153 12.364 -0.129 1.00 11.41 H new ATOM 0 HA SER A 531 11.658 10.329 -1.466 1.00 74.51 H new ATOM 0 HB2 SER A 531 12.491 12.991 -0.215 1.00 2.34 H new ATOM 0 HB3 SER A 531 13.520 12.013 -1.242 1.00 2.34 H new ATOM 0 HG SER A 531 12.420 13.676 -2.430 1.00 25.44 H new ATOM 2439 N GLY A 532 12.073 10.657 1.792 1.00 0.43 N ATOM 2440 CA GLY A 532 12.587 9.979 3.001 1.00 21.34 C ATOM 2441 C GLY A 532 12.120 8.522 3.129 1.00 21.35 C ATOM 2442 O GLY A 532 12.886 7.643 3.547 1.00 14.10 O ATOM 0 H GLY A 532 11.436 11.429 1.991 1.00 0.43 H new ATOM 0 HA2 GLY A 532 13.677 10.003 2.986 1.00 21.34 H new ATOM 0 HA3 GLY A 532 12.267 10.534 3.883 1.00 21.34 H new ATOM 2446 N PHE A 533 10.848 8.269 2.758 1.00 12.22 N ATOM 2447 CA PHE A 533 10.255 6.914 2.787 1.00 53.32 C ATOM 2448 C PHE A 533 10.896 6.007 1.712 1.00 55.42 C ATOM 2449 O PHE A 533 11.387 4.923 2.023 1.00 64.34 O ATOM 2450 CB PHE A 533 8.719 6.990 2.589 1.00 23.41 C ATOM 2451 CG PHE A 533 8.006 5.641 2.708 1.00 52.10 C ATOM 2452 CD1 PHE A 533 7.919 4.992 3.939 1.00 63.14 C ATOM 2453 CD2 PHE A 533 7.432 5.019 1.595 1.00 52.33 C ATOM 2454 CE1 PHE A 533 7.284 3.770 4.056 1.00 51.33 C ATOM 2455 CE2 PHE A 533 6.796 3.795 1.715 1.00 14.11 C ATOM 2456 CZ PHE A 533 6.727 3.172 2.943 1.00 1.14 C ATOM 0 H PHE A 533 10.206 8.992 2.432 1.00 12.22 H new ATOM 0 HA PHE A 533 10.458 6.476 3.764 1.00 53.32 H new ATOM 0 HB2 PHE A 533 8.302 7.676 3.327 1.00 23.41 H new ATOM 0 HB3 PHE A 533 8.511 7.414 1.607 1.00 23.41 H new ATOM 0 HD1 PHE A 533 8.354 5.451 4.814 1.00 63.14 H new ATOM 0 HD2 PHE A 533 7.485 5.500 0.629 1.00 52.33 H new ATOM 0 HE1 PHE A 533 7.223 3.283 5.018 1.00 51.33 H new ATOM 0 HE2 PHE A 533 6.354 3.328 0.847 1.00 14.11 H new ATOM 0 HZ PHE A 533 6.236 2.214 3.035 1.00 1.14 H new ATOM 2466 N VAL A 534 10.896 6.484 0.446 1.00 61.04 N ATOM 2467 CA VAL A 534 11.473 5.739 -0.704 1.00 33.30 C ATOM 2468 C VAL A 534 13.011 5.543 -0.556 1.00 1.23 C ATOM 2469 O VAL A 534 13.559 4.578 -1.084 1.00 22.14 O ATOM 2470 CB VAL A 534 11.121 6.442 -2.077 1.00 73.34 C ATOM 2471 CG1 VAL A 534 11.729 5.701 -3.302 1.00 42.05 C ATOM 2472 CG2 VAL A 534 9.591 6.582 -2.242 1.00 23.21 C ATOM 0 H VAL A 534 10.500 7.389 0.191 1.00 61.04 H new ATOM 0 HA VAL A 534 11.018 4.749 -0.705 1.00 33.30 H new ATOM 0 HB VAL A 534 11.571 7.434 -2.045 1.00 73.34 H new ATOM 0 HG11 VAL A 534 11.456 6.226 -4.217 1.00 42.05 H new ATOM 0 HG12 VAL A 534 12.815 5.674 -3.209 1.00 42.05 H new ATOM 0 HG13 VAL A 534 11.343 4.682 -3.339 1.00 42.05 H new ATOM 0 HG21 VAL A 534 9.370 7.068 -3.192 1.00 23.21 H new ATOM 0 HG22 VAL A 534 9.131 5.594 -2.224 1.00 23.21 H new ATOM 0 HG23 VAL A 534 9.191 7.183 -1.426 1.00 23.21 H new ATOM 2482 N ASN A 535 13.689 6.445 0.190 1.00 75.21 N ATOM 2483 CA ASN A 535 15.121 6.294 0.549 1.00 32.14 C ATOM 2484 C ASN A 535 15.353 5.020 1.412 1.00 34.33 C ATOM 2485 O ASN A 535 16.310 4.268 1.185 1.00 53.32 O ATOM 2486 CB ASN A 535 15.594 7.564 1.297 1.00 4.31 C ATOM 2487 CG ASN A 535 17.088 7.573 1.601 1.00 20.50 C ATOM 2488 OD1 ASN A 535 17.526 7.154 2.664 1.00 14.22 O ATOM 2489 ND2 ASN A 535 17.884 8.042 0.662 1.00 41.22 N ATOM 0 H ASN A 535 13.263 7.295 0.559 1.00 75.21 H new ATOM 0 HA ASN A 535 15.706 6.175 -0.363 1.00 32.14 H new ATOM 0 HB2 ASN A 535 15.348 8.441 0.698 1.00 4.31 H new ATOM 0 HB3 ASN A 535 15.041 7.652 2.232 1.00 4.31 H new ATOM 0 HD21 ASN A 535 18.893 8.062 0.812 1.00 41.22 H new ATOM 0 HD22 ASN A 535 17.492 8.385 -0.215 1.00 41.22 H new ATOM 2496 N GLY A 536 14.454 4.793 2.390 1.00 15.30 N ATOM 2497 CA GLY A 536 14.460 3.560 3.197 1.00 34.43 C ATOM 2498 C GLY A 536 14.072 2.313 2.383 1.00 22.54 C ATOM 2499 O GLY A 536 14.716 1.262 2.478 1.00 23.42 O ATOM 0 H GLY A 536 13.714 5.449 2.639 1.00 15.30 H new ATOM 0 HA2 GLY A 536 15.452 3.415 3.624 1.00 34.43 H new ATOM 0 HA3 GLY A 536 13.768 3.674 4.031 1.00 34.43 H new ATOM 2503 N ILE A 537 13.017 2.463 1.557 1.00 42.12 N ATOM 2504 CA ILE A 537 12.514 1.410 0.641 1.00 14.13 C ATOM 2505 C ILE A 537 13.571 1.030 -0.443 1.00 72.25 C ATOM 2506 O ILE A 537 13.606 -0.104 -0.913 1.00 32.10 O ATOM 2507 CB ILE A 537 11.149 1.857 -0.033 1.00 23.43 C ATOM 2508 CG1 ILE A 537 10.059 2.136 1.053 1.00 31.12 C ATOM 2509 CG2 ILE A 537 10.626 0.835 -1.077 1.00 34.11 C ATOM 2510 CD1 ILE A 537 9.657 0.934 1.899 1.00 31.33 C ATOM 0 H ILE A 537 12.481 3.329 1.504 1.00 42.12 H new ATOM 0 HA ILE A 537 12.328 0.518 1.239 1.00 14.13 H new ATOM 0 HB ILE A 537 11.359 2.780 -0.574 1.00 23.43 H new ATOM 0 HG12 ILE A 537 10.424 2.920 1.716 1.00 31.12 H new ATOM 0 HG13 ILE A 537 9.169 2.525 0.559 1.00 31.12 H new ATOM 0 HG21 ILE A 537 9.690 1.197 -1.503 1.00 34.11 H new ATOM 0 HG22 ILE A 537 11.364 0.716 -1.871 1.00 34.11 H new ATOM 0 HG23 ILE A 537 10.456 -0.126 -0.592 1.00 34.11 H new ATOM 0 HD11 ILE A 537 8.897 1.235 2.620 1.00 31.33 H new ATOM 0 HD12 ILE A 537 9.256 0.153 1.254 1.00 31.33 H new ATOM 0 HD13 ILE A 537 10.530 0.554 2.429 1.00 31.33 H new ATOM 2522 N ARG A 538 14.441 1.993 -0.795 1.00 44.20 N ATOM 2523 CA ARG A 538 15.483 1.842 -1.843 1.00 4.14 C ATOM 2524 C ARG A 538 16.411 0.613 -1.593 1.00 12.24 C ATOM 2525 O ARG A 538 16.703 -0.161 -2.515 1.00 53.33 O ATOM 2526 CB ARG A 538 16.326 3.152 -1.896 1.00 4.10 C ATOM 2527 CG ARG A 538 17.280 3.283 -3.094 1.00 2.33 C ATOM 2528 CD ARG A 538 16.538 3.379 -4.442 1.00 13.23 C ATOM 2529 NE ARG A 538 17.473 3.475 -5.582 1.00 3.01 N ATOM 2530 CZ ARG A 538 17.141 3.432 -6.856 1.00 34.35 C ATOM 2531 NH1 ARG A 538 15.908 3.264 -7.223 1.00 55.42 N ATOM 2532 NH2 ARG A 538 18.063 3.536 -7.757 1.00 31.31 N ATOM 0 H ARG A 538 14.445 2.914 -0.357 1.00 44.20 H new ATOM 0 HA ARG A 538 14.985 1.665 -2.796 1.00 4.14 H new ATOM 0 HB2 ARG A 538 15.643 4.002 -1.904 1.00 4.10 H new ATOM 0 HB3 ARG A 538 16.912 3.223 -0.979 1.00 4.10 H new ATOM 0 HG2 ARG A 538 17.901 4.169 -2.963 1.00 2.33 H new ATOM 0 HG3 ARG A 538 17.951 2.424 -3.114 1.00 2.33 H new ATOM 0 HD2 ARG A 538 15.901 2.504 -4.568 1.00 13.23 H new ATOM 0 HD3 ARG A 538 15.884 4.251 -4.435 1.00 13.23 H new ATOM 0 HE ARG A 538 18.463 3.584 -5.363 1.00 3.01 H new ATOM 0 HH11 ARG A 538 15.176 3.163 -6.520 1.00 55.42 H new ATOM 0 HH12 ARG A 538 15.671 3.233 -8.215 1.00 55.42 H new ATOM 0 HH21 ARG A 538 19.038 3.650 -7.479 1.00 31.31 H new ATOM 0 HH22 ARG A 538 17.816 3.504 -8.746 1.00 31.31 H new ATOM 2546 N GLN A 539 16.850 0.451 -0.326 1.00 4.41 N ATOM 2547 CA GLN A 539 17.690 -0.699 0.106 1.00 41.20 C ATOM 2548 C GLN A 539 16.852 -1.998 0.282 1.00 33.13 C ATOM 2549 O GLN A 539 17.382 -3.111 0.159 1.00 53.25 O ATOM 2550 CB GLN A 539 18.443 -0.350 1.419 1.00 53.32 C ATOM 2551 CG GLN A 539 19.391 0.867 1.308 1.00 51.42 C ATOM 2552 CD GLN A 539 20.285 1.074 2.541 1.00 21.33 C ATOM 2553 OE1 GLN A 539 19.926 0.712 3.659 1.00 23.14 O ATOM 2554 NE2 GLN A 539 21.452 1.664 2.350 1.00 61.32 N ATOM 0 H GLN A 539 16.636 1.107 0.426 1.00 4.41 H new ATOM 0 HA GLN A 539 18.419 -0.891 -0.682 1.00 41.20 H new ATOM 0 HB2 GLN A 539 17.711 -0.154 2.202 1.00 53.32 H new ATOM 0 HB3 GLN A 539 19.022 -1.218 1.733 1.00 53.32 H new ATOM 0 HG2 GLN A 539 20.024 0.743 0.429 1.00 51.42 H new ATOM 0 HG3 GLN A 539 18.795 1.766 1.148 1.00 51.42 H new ATOM 0 HE21 GLN A 539 21.729 1.956 1.413 1.00 61.32 H new ATOM 0 HE22 GLN A 539 22.076 1.828 3.140 1.00 61.32 H new ATOM 2563 N VAL A 540 15.541 -1.835 0.581 1.00 45.40 N ATOM 2564 CA VAL A 540 14.560 -2.957 0.654 1.00 32.04 C ATOM 2565 C VAL A 540 14.332 -3.582 -0.751 1.00 31.02 C ATOM 2566 O VAL A 540 14.105 -4.794 -0.881 1.00 60.53 O ATOM 2567 CB VAL A 540 13.184 -2.459 1.261 1.00 43.21 C ATOM 2568 CG1 VAL A 540 12.112 -3.581 1.315 1.00 41.21 C ATOM 2569 CG2 VAL A 540 13.404 -1.821 2.656 1.00 24.24 C ATOM 0 H VAL A 540 15.128 -0.923 0.779 1.00 45.40 H new ATOM 0 HA VAL A 540 14.973 -3.723 1.311 1.00 32.04 H new ATOM 0 HB VAL A 540 12.793 -1.696 0.588 1.00 43.21 H new ATOM 0 HG11 VAL A 540 11.190 -3.183 1.739 1.00 41.21 H new ATOM 0 HG12 VAL A 540 11.919 -3.948 0.307 1.00 41.21 H new ATOM 0 HG13 VAL A 540 12.474 -4.400 1.936 1.00 41.21 H new ATOM 0 HG21 VAL A 540 12.448 -1.485 3.057 1.00 24.24 H new ATOM 0 HG22 VAL A 540 13.841 -2.559 3.329 1.00 24.24 H new ATOM 0 HG23 VAL A 540 14.079 -0.970 2.564 1.00 24.24 H new