USER MOD reduce.3.24.130724 H: found=0, std=0, add=1031, rem=0, adj=28 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 -104:sc= 0.902 USER MOD Set 1.2: A 499 HIS : no HE2:sc= 1.02 K(o=1.9,f=-7!) USER MOD Set 2.1: A 477 ASN : amide:sc= 0.654 K(o=1.4,f=-4.1) USER MOD Set 2.2: A 478 LYS NZ :NH3+ -174:sc= 0.728 (180deg=0) USER MOD Set 3.1: A 430 GLN : amide:sc= 0.461 K(o=0.95,f=-1) USER MOD Set 3.2: A 432 TYR OH : rot -18:sc= 0.487 USER MOD Set 4.1: A 409 GLN : amide:sc= -0.287 X(o=-0.21,f=-0.01) USER MOD Set 4.2: A 424 THR OG1 : rot -93:sc= 0.0726 USER MOD Set 5.1: A 398 LYS NZ :NH3+ -170:sc=-0.00469 (180deg=-0.167) USER MOD Set 5.2: A 434 ASN : amide:sc= -0.0375 X(o=-0.042,f=-0.31) 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 130:sc= -2.33 USER MOD Single : A 438 ASN : amide:sc= -0.0216 K(o=-0.022,f=-0.67!) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 441 THR OG1 : rot 175:sc= 0.648 USER MOD Single : A 443 GLN : amide:sc= -2.59 X(o=-2.6,f=-2.6!) USER MOD Single : A 446 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 MET CE :methyl -108:sc= -0.0043 (180deg=-0.947) USER MOD Single : A 451 GLN : amide:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 455 GLN :FLIP amide:sc= -0.464 F(o=-1.5!,f=-0.46) USER MOD Single : A 456 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 459 THR OG1 : rot -85:sc= 1.24 USER MOD Single : A 460 THR OG1 : rot 180:sc= 0 USER MOD Single : A 467 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.00077) USER MOD Single : A 468 SER OG : rot 71:sc= 0.545 USER MOD Single : A 470 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 472 GLN : amide:sc= -0.066 K(o=-0.066,f=-3.1!) USER MOD Single : A 474 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 476 THR OG1 : rot 27:sc= 0.0304 USER MOD Single : A 482 SER OG : rot 180:sc= 0 USER MOD Single : A 484 LYS NZ :NH3+ 168:sc= 0.902 (180deg=0.68) USER MOD Single : A 487 TYR OH : rot -163:sc= 0.503 USER MOD Single : A 490 MET CE :methyl -159:sc= -0.24 (180deg=-1.07) USER MOD Single : A 492 ASN : amide:sc= -0.0951 K(o=-0.095,f=-0.61) USER MOD Single : A 512 MET CE :methyl -129:sc= -1.57 (180deg=-3.43!) USER MOD Single : A 515 TYR OH : rot 61:sc= 0.503 USER MOD Single : A 516 SER OG : rot 170:sc= 0.443 USER MOD Single : A 517 SER OG : rot 180:sc= 0 USER MOD Single : A 518 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 520 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0358) USER MOD Single : A 523 MET CE :methyl 140:sc= -0.0728 (180deg=-2.52!) USER MOD Single : A 528 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 530 GLN : amide:sc= 0.422 X(o=0.42,f=0.21) USER MOD Single : A 531 SER OG : rot 180:sc= 0 USER MOD Single : A 535 ASN : amide:sc= -0.611 X(o=-0.61,f=-0.6) USER MOD Single : A 539 GLN : amide:sc= 0.314 K(o=0.31,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 250 N LYS A 398 -16.393 7.714 6.177 1.00 22.21 N ATOM 251 CA LYS A 398 -15.427 8.529 5.394 1.00 23.22 C ATOM 252 C LYS A 398 -15.967 8.918 3.999 1.00 31.20 C ATOM 253 O LYS A 398 -16.794 8.212 3.412 1.00 62.12 O ATOM 254 CB LYS A 398 -14.082 7.768 5.260 1.00 13.13 C ATOM 255 CG LYS A 398 -13.427 7.428 6.611 1.00 21.02 C ATOM 256 CD LYS A 398 -12.008 6.843 6.472 1.00 34.23 C ATOM 257 CE LYS A 398 -11.390 6.484 7.837 1.00 15.00 C ATOM 258 NZ LYS A 398 -11.334 7.663 8.748 1.00 52.13 N ATOM 0 HA LYS A 398 -15.271 9.459 5.940 1.00 23.22 H new ATOM 0 HB2 LYS A 398 -14.251 6.845 4.705 1.00 13.13 H new ATOM 0 HB3 LYS A 398 -13.390 8.371 4.672 1.00 13.13 H new ATOM 0 HG2 LYS A 398 -13.382 8.330 7.222 1.00 21.02 H new ATOM 0 HG3 LYS A 398 -14.056 6.714 7.142 1.00 21.02 H new ATOM 0 HD2 LYS A 398 -12.044 5.952 5.846 1.00 34.23 H new ATOM 0 HD3 LYS A 398 -11.368 7.564 5.964 1.00 34.23 H new ATOM 0 HE2 LYS A 398 -11.975 5.692 8.304 1.00 15.00 H new ATOM 0 HE3 LYS A 398 -10.384 6.092 7.688 1.00 15.00 H new ATOM 0 HZ1 LYS A 398 -10.764 7.428 9.585 1.00 52.13 H new ATOM 0 HZ2 LYS A 398 -10.902 8.467 8.249 1.00 52.13 H new ATOM 0 HZ3 LYS A 398 -12.297 7.918 9.046 1.00 52.13 H new ATOM 272 N LEU A 399 -15.478 10.062 3.491 1.00 31.32 N ATOM 273 CA LEU A 399 -15.827 10.603 2.154 1.00 33.00 C ATOM 274 C LEU A 399 -14.897 10.022 1.068 1.00 22.41 C ATOM 275 O LEU A 399 -13.788 9.593 1.365 1.00 63.42 O ATOM 276 CB LEU A 399 -15.744 12.155 2.164 1.00 74.12 C ATOM 277 CG LEU A 399 -16.959 12.912 2.795 1.00 52.44 C ATOM 278 CD1 LEU A 399 -17.220 12.499 4.257 1.00 35.14 C ATOM 279 CD2 LEU A 399 -16.767 14.434 2.668 1.00 74.24 C ATOM 0 H LEU A 399 -14.819 10.650 4.001 1.00 31.32 H new ATOM 0 HA LEU A 399 -16.850 10.307 1.920 1.00 33.00 H new ATOM 0 HB2 LEU A 399 -14.843 12.446 2.704 1.00 74.12 H new ATOM 0 HB3 LEU A 399 -15.624 12.497 1.136 1.00 74.12 H new ATOM 0 HG LEU A 399 -17.848 12.624 2.233 1.00 52.44 H new ATOM 0 HD11 LEU A 399 -18.074 13.055 4.645 1.00 35.14 H new ATOM 0 HD12 LEU A 399 -17.432 11.431 4.301 1.00 35.14 H new ATOM 0 HD13 LEU A 399 -16.339 12.719 4.860 1.00 35.14 H new ATOM 0 HD21 LEU A 399 -17.621 14.947 3.112 1.00 74.24 H new ATOM 0 HD22 LEU A 399 -15.856 14.730 3.187 1.00 74.24 H new ATOM 0 HD23 LEU A 399 -16.689 14.704 1.615 1.00 74.24 H new ATOM 291 N LEU A 400 -15.349 10.049 -0.193 1.00 53.51 N ATOM 292 CA LEU A 400 -14.604 9.444 -1.318 1.00 22.12 C ATOM 293 C LEU A 400 -13.620 10.465 -1.954 1.00 4.32 C ATOM 294 O LEU A 400 -14.041 11.443 -2.581 1.00 33.32 O ATOM 295 CB LEU A 400 -15.597 8.887 -2.375 1.00 31.22 C ATOM 296 CG LEU A 400 -14.952 8.151 -3.590 1.00 55.55 C ATOM 297 CD1 LEU A 400 -14.073 6.975 -3.126 1.00 61.13 C ATOM 298 CD2 LEU A 400 -16.025 7.683 -4.605 1.00 10.15 C ATOM 0 H LEU A 400 -16.230 10.484 -0.466 1.00 53.51 H new ATOM 0 HA LEU A 400 -14.008 8.617 -0.933 1.00 22.12 H new ATOM 0 HB2 LEU A 400 -16.279 8.198 -1.877 1.00 31.22 H new ATOM 0 HB3 LEU A 400 -16.198 9.714 -2.753 1.00 31.22 H new ATOM 0 HG LEU A 400 -14.308 8.866 -4.102 1.00 55.55 H new ATOM 0 HD11 LEU A 400 -13.637 6.482 -3.995 1.00 61.13 H new ATOM 0 HD12 LEU A 400 -13.276 7.348 -2.483 1.00 61.13 H new ATOM 0 HD13 LEU A 400 -14.683 6.262 -2.572 1.00 61.13 H new ATOM 0 HD21 LEU A 400 -15.540 7.174 -5.438 1.00 10.15 H new ATOM 0 HD22 LEU A 400 -16.716 6.998 -4.114 1.00 10.15 H new ATOM 0 HD23 LEU A 400 -16.575 8.547 -4.978 1.00 10.15 H new ATOM 310 N ALA A 401 -12.310 10.227 -1.753 1.00 22.43 N ATOM 311 CA ALA A 401 -11.222 11.057 -2.324 1.00 63.54 C ATOM 312 C ALA A 401 -10.904 10.675 -3.780 1.00 14.23 C ATOM 313 O ALA A 401 -10.807 11.533 -4.664 1.00 30.33 O ATOM 314 CB ALA A 401 -9.955 10.899 -1.473 1.00 25.23 C ATOM 0 H ALA A 401 -11.970 9.449 -1.187 1.00 22.43 H new ATOM 0 HA ALA A 401 -11.562 12.093 -2.316 1.00 63.54 H new ATOM 0 HB1 ALA A 401 -9.156 11.509 -1.893 1.00 25.23 H new ATOM 0 HB2 ALA A 401 -10.160 11.222 -0.452 1.00 25.23 H new ATOM 0 HB3 ALA A 401 -9.648 9.853 -1.468 1.00 25.23 H new ATOM 320 N TRP A 402 -10.726 9.369 -4.001 1.00 2.12 N ATOM 321 CA TRP A 402 -10.223 8.826 -5.276 1.00 51.52 C ATOM 322 C TRP A 402 -10.872 7.458 -5.574 1.00 33.01 C ATOM 323 O TRP A 402 -11.267 6.739 -4.660 1.00 42.23 O ATOM 324 CB TRP A 402 -8.675 8.694 -5.179 1.00 54.41 C ATOM 325 CG TRP A 402 -7.983 8.271 -6.462 1.00 54.15 C ATOM 326 CD1 TRP A 402 -7.607 9.083 -7.493 1.00 63.23 C ATOM 327 CD2 TRP A 402 -7.582 6.936 -6.841 1.00 60.03 C ATOM 328 NE1 TRP A 402 -7.001 8.347 -8.473 1.00 42.33 N ATOM 329 CE2 TRP A 402 -6.976 7.031 -8.103 1.00 21.20 C ATOM 330 CE3 TRP A 402 -7.680 5.676 -6.236 1.00 30.24 C ATOM 331 CZ2 TRP A 402 -6.467 5.920 -8.775 1.00 53.13 C ATOM 332 CZ3 TRP A 402 -7.177 4.575 -6.901 1.00 1.31 C ATOM 333 CH2 TRP A 402 -6.579 4.702 -8.162 1.00 13.23 C ATOM 0 H TRP A 402 -10.926 8.653 -3.302 1.00 2.12 H new ATOM 0 HA TRP A 402 -10.482 9.498 -6.094 1.00 51.52 H new ATOM 0 HB2 TRP A 402 -8.263 9.652 -4.861 1.00 54.41 H new ATOM 0 HB3 TRP A 402 -8.436 7.970 -4.400 1.00 54.41 H new ATOM 0 HD1 TRP A 402 -7.765 10.151 -7.529 1.00 63.23 H new ATOM 0 HE1 TRP A 402 -6.626 8.721 -9.345 1.00 42.33 H new ATOM 0 HE3 TRP A 402 -8.141 5.568 -5.266 1.00 30.24 H new ATOM 0 HZ2 TRP A 402 -6.001 6.018 -9.744 1.00 53.13 H new ATOM 0 HZ3 TRP A 402 -7.246 3.600 -6.442 1.00 1.31 H new ATOM 0 HH2 TRP A 402 -6.199 3.822 -8.659 1.00 13.23 H new ATOM 344 N SER A 403 -10.961 7.108 -6.861 1.00 51.43 N ATOM 345 CA SER A 403 -11.451 5.789 -7.318 1.00 72.44 C ATOM 346 C SER A 403 -10.711 5.382 -8.609 1.00 72.44 C ATOM 347 O SER A 403 -10.403 6.235 -9.454 1.00 32.25 O ATOM 348 CB SER A 403 -12.986 5.807 -7.533 1.00 35.13 C ATOM 349 OG SER A 403 -13.379 6.763 -8.503 1.00 51.13 O ATOM 0 H SER A 403 -10.696 7.730 -7.625 1.00 51.43 H new ATOM 0 HA SER A 403 -11.243 5.048 -6.546 1.00 72.44 H new ATOM 0 HB2 SER A 403 -13.319 4.817 -7.845 1.00 35.13 H new ATOM 0 HB3 SER A 403 -13.481 6.027 -6.587 1.00 35.13 H new ATOM 0 HG SER A 403 -14.353 6.740 -8.609 1.00 51.13 H new ATOM 355 N GLY A 404 -10.410 4.081 -8.741 1.00 11.10 N ATOM 356 CA GLY A 404 -9.621 3.571 -9.865 1.00 42.05 C ATOM 357 C GLY A 404 -9.220 2.113 -9.663 1.00 14.33 C ATOM 358 O GLY A 404 -9.986 1.323 -9.097 1.00 33.24 O ATOM 0 H GLY A 404 -10.704 3.363 -8.079 1.00 11.10 H new ATOM 0 HA2 GLY A 404 -10.197 3.665 -10.785 1.00 42.05 H new ATOM 0 HA3 GLY A 404 -8.725 4.180 -9.986 1.00 42.05 H new ATOM 362 N VAL A 405 -8.038 1.732 -10.166 1.00 54.14 N ATOM 363 CA VAL A 405 -7.494 0.369 -9.994 1.00 4.34 C ATOM 364 C VAL A 405 -6.171 0.405 -9.188 1.00 50.45 C ATOM 365 O VAL A 405 -5.436 1.393 -9.225 1.00 12.32 O ATOM 366 CB VAL A 405 -7.274 -0.329 -11.397 1.00 2.21 C ATOM 367 CG1 VAL A 405 -6.075 0.234 -12.170 1.00 60.51 C ATOM 368 CG2 VAL A 405 -7.199 -1.872 -11.269 1.00 11.41 C ATOM 0 H VAL A 405 -7.431 2.353 -10.702 1.00 54.14 H new ATOM 0 HA VAL A 405 -8.221 -0.218 -9.432 1.00 4.34 H new ATOM 0 HB VAL A 405 -8.156 -0.090 -11.991 1.00 2.21 H new ATOM 0 HG11 VAL A 405 -5.979 -0.287 -13.123 1.00 60.51 H new ATOM 0 HG12 VAL A 405 -6.226 1.298 -12.352 1.00 60.51 H new ATOM 0 HG13 VAL A 405 -5.166 0.092 -11.586 1.00 60.51 H new ATOM 0 HG21 VAL A 405 -7.047 -2.312 -12.255 1.00 11.41 H new ATOM 0 HG22 VAL A 405 -6.367 -2.143 -10.619 1.00 11.41 H new ATOM 0 HG23 VAL A 405 -8.130 -2.247 -10.843 1.00 11.41 H new ATOM 378 N LEU A 406 -5.905 -0.663 -8.431 1.00 20.12 N ATOM 379 CA LEU A 406 -4.604 -0.902 -7.784 1.00 43.34 C ATOM 380 C LEU A 406 -3.975 -2.161 -8.399 1.00 4.11 C ATOM 381 O LEU A 406 -4.641 -3.185 -8.517 1.00 25.10 O ATOM 382 CB LEU A 406 -4.772 -1.077 -6.254 1.00 54.00 C ATOM 383 CG LEU A 406 -3.456 -1.328 -5.450 1.00 41.42 C ATOM 384 CD1 LEU A 406 -2.476 -0.135 -5.538 1.00 61.33 C ATOM 385 CD2 LEU A 406 -3.766 -1.674 -3.988 1.00 30.21 C ATOM 0 H LEU A 406 -6.591 -1.395 -8.246 1.00 20.12 H new ATOM 0 HA LEU A 406 -3.954 -0.043 -7.949 1.00 43.34 H new ATOM 0 HB2 LEU A 406 -5.254 -0.184 -5.856 1.00 54.00 H new ATOM 0 HB3 LEU A 406 -5.450 -1.912 -6.075 1.00 54.00 H new ATOM 0 HG LEU A 406 -2.960 -2.182 -5.911 1.00 41.42 H new ATOM 0 HD11 LEU A 406 -1.578 -0.359 -4.963 1.00 61.33 H new ATOM 0 HD12 LEU A 406 -2.206 0.038 -6.580 1.00 61.33 H new ATOM 0 HD13 LEU A 406 -2.953 0.758 -5.133 1.00 61.33 H new ATOM 0 HD21 LEU A 406 -2.834 -1.844 -3.449 1.00 30.21 H new ATOM 0 HD22 LEU A 406 -4.307 -0.848 -3.526 1.00 30.21 H new ATOM 0 HD23 LEU A 406 -4.378 -2.575 -3.949 1.00 30.21 H new ATOM 397 N GLU A 407 -2.699 -2.075 -8.774 1.00 42.25 N ATOM 398 CA GLU A 407 -1.953 -3.169 -9.424 1.00 41.53 C ATOM 399 C GLU A 407 -0.681 -3.484 -8.613 1.00 33.25 C ATOM 400 O GLU A 407 -0.109 -2.595 -7.988 1.00 62.12 O ATOM 401 CB GLU A 407 -1.583 -2.770 -10.884 1.00 61.31 C ATOM 402 CG GLU A 407 -0.847 -3.865 -11.686 1.00 53.32 C ATOM 403 CD GLU A 407 -0.421 -3.408 -13.093 1.00 44.52 C ATOM 404 OE1 GLU A 407 0.632 -2.741 -13.222 1.00 42.43 O ATOM 405 OE2 GLU A 407 -1.149 -3.689 -14.078 1.00 34.35 O ATOM 0 H GLU A 407 -2.140 -1.233 -8.636 1.00 42.25 H new ATOM 0 HA GLU A 407 -2.579 -4.061 -9.458 1.00 41.53 H new ATOM 0 HB2 GLU A 407 -2.496 -2.502 -11.415 1.00 61.31 H new ATOM 0 HB3 GLU A 407 -0.957 -1.878 -10.855 1.00 61.31 H new ATOM 0 HG2 GLU A 407 0.037 -4.180 -11.131 1.00 53.32 H new ATOM 0 HG3 GLU A 407 -1.495 -4.737 -11.776 1.00 53.32 H new ATOM 412 N TRP A 408 -0.265 -4.758 -8.623 1.00 64.33 N ATOM 413 CA TRP A 408 0.953 -5.228 -7.943 1.00 24.14 C ATOM 414 C TRP A 408 1.528 -6.469 -8.647 1.00 51.03 C ATOM 415 O TRP A 408 0.909 -7.039 -9.547 1.00 31.52 O ATOM 416 CB TRP A 408 0.672 -5.528 -6.451 1.00 44.04 C ATOM 417 CG TRP A 408 -0.359 -6.600 -6.208 1.00 32.22 C ATOM 418 CD1 TRP A 408 -0.131 -7.925 -6.025 1.00 42.23 C ATOM 419 CD2 TRP A 408 -1.780 -6.426 -6.134 1.00 43.33 C ATOM 420 NE1 TRP A 408 -1.309 -8.584 -5.824 1.00 64.12 N ATOM 421 CE2 TRP A 408 -2.335 -7.688 -5.897 1.00 52.14 C ATOM 422 CE3 TRP A 408 -2.632 -5.321 -6.254 1.00 54.30 C ATOM 423 CZ2 TRP A 408 -3.698 -7.882 -5.762 1.00 53.42 C ATOM 424 CZ3 TRP A 408 -3.988 -5.515 -6.128 1.00 21.14 C ATOM 425 CH2 TRP A 408 -4.503 -6.791 -5.889 1.00 24.25 C ATOM 0 H TRP A 408 -0.769 -5.500 -9.108 1.00 64.33 H new ATOM 0 HA TRP A 408 1.695 -4.432 -7.995 1.00 24.14 H new ATOM 0 HB2 TRP A 408 1.605 -5.825 -5.972 1.00 44.04 H new ATOM 0 HB3 TRP A 408 0.343 -4.609 -5.965 1.00 44.04 H new ATOM 0 HD1 TRP A 408 0.843 -8.391 -6.037 1.00 42.23 H new ATOM 0 HE1 TRP A 408 -1.406 -9.584 -5.648 1.00 64.12 H new ATOM 0 HE3 TRP A 408 -2.232 -4.336 -6.442 1.00 54.30 H new ATOM 0 HZ2 TRP A 408 -4.108 -8.861 -5.563 1.00 53.42 H new ATOM 0 HZ3 TRP A 408 -4.660 -4.674 -6.215 1.00 21.14 H new ATOM 0 HH2 TRP A 408 -5.572 -6.916 -5.802 1.00 24.25 H new ATOM 436 N GLN A 409 2.732 -6.865 -8.221 1.00 32.34 N ATOM 437 CA GLN A 409 3.452 -8.030 -8.768 1.00 50.25 C ATOM 438 C GLN A 409 3.599 -9.136 -7.686 1.00 25.44 C ATOM 439 O GLN A 409 4.191 -8.909 -6.623 1.00 75.41 O ATOM 440 CB GLN A 409 4.844 -7.561 -9.314 1.00 62.43 C ATOM 441 CG GLN A 409 4.835 -6.971 -10.760 1.00 74.43 C ATOM 442 CD GLN A 409 3.988 -5.699 -10.977 1.00 71.25 C ATOM 443 OE1 GLN A 409 3.427 -5.494 -12.049 1.00 40.01 O ATOM 444 NE2 GLN A 409 3.923 -4.815 -9.995 1.00 31.33 N ATOM 0 H GLN A 409 3.243 -6.384 -7.480 1.00 32.34 H new ATOM 0 HA GLN A 409 2.885 -8.463 -9.592 1.00 50.25 H new ATOM 0 HB2 GLN A 409 5.246 -6.808 -8.636 1.00 62.43 H new ATOM 0 HB3 GLN A 409 5.528 -8.409 -9.291 1.00 62.43 H new ATOM 0 HG2 GLN A 409 5.863 -6.749 -11.045 1.00 74.43 H new ATOM 0 HG3 GLN A 409 4.475 -7.742 -11.441 1.00 74.43 H new ATOM 0 HE21 GLN A 409 4.395 -5.000 -9.110 1.00 31.33 H new ATOM 0 HE22 GLN A 409 3.401 -3.948 -10.123 1.00 31.33 H new ATOM 453 N GLU A 410 3.032 -10.325 -7.976 1.00 55.24 N ATOM 454 CA GLU A 410 3.103 -11.519 -7.099 1.00 11.32 C ATOM 455 C GLU A 410 4.169 -12.514 -7.594 1.00 1.11 C ATOM 456 O GLU A 410 4.781 -12.327 -8.644 1.00 43.43 O ATOM 457 CB GLU A 410 1.733 -12.239 -7.057 1.00 65.22 C ATOM 458 CG GLU A 410 0.589 -11.436 -6.419 1.00 2.35 C ATOM 459 CD GLU A 410 -0.742 -12.209 -6.334 1.00 61.23 C ATOM 460 OE1 GLU A 410 -0.722 -13.462 -6.253 1.00 54.43 O ATOM 461 OE2 GLU A 410 -1.813 -11.570 -6.321 1.00 51.42 O ATOM 0 H GLU A 410 2.506 -10.488 -8.834 1.00 55.24 H new ATOM 0 HA GLU A 410 3.374 -11.174 -6.101 1.00 11.32 H new ATOM 0 HB2 GLU A 410 1.447 -12.501 -8.076 1.00 65.22 H new ATOM 0 HB3 GLU A 410 1.849 -13.174 -6.508 1.00 65.22 H new ATOM 0 HG2 GLU A 410 0.887 -11.132 -5.415 1.00 2.35 H new ATOM 0 HG3 GLU A 410 0.433 -10.524 -6.995 1.00 2.35 H new ATOM 649 N LEU A 423 3.486 -12.521 -11.284 1.00 2.51 N ATOM 650 CA LEU A 423 2.013 -12.662 -11.380 1.00 13.15 C ATOM 651 C LEU A 423 1.333 -11.292 -11.129 1.00 4.04 C ATOM 652 O LEU A 423 0.918 -10.976 -10.010 1.00 34.51 O ATOM 653 CB LEU A 423 1.487 -13.736 -10.399 1.00 44.31 C ATOM 654 CG LEU A 423 2.147 -15.145 -10.486 1.00 20.24 C ATOM 655 CD1 LEU A 423 1.489 -16.111 -9.481 1.00 25.21 C ATOM 656 CD2 LEU A 423 2.113 -15.709 -11.926 1.00 34.21 C ATOM 0 HA LEU A 423 1.762 -12.995 -12.387 1.00 13.15 H new ATOM 0 HB2 LEU A 423 1.616 -13.362 -9.383 1.00 44.31 H new ATOM 0 HB3 LEU A 423 0.416 -13.851 -10.563 1.00 44.31 H new ATOM 0 HG LEU A 423 3.198 -15.040 -10.217 1.00 20.24 H new ATOM 0 HD11 LEU A 423 1.962 -17.090 -9.555 1.00 25.21 H new ATOM 0 HD12 LEU A 423 1.613 -15.724 -8.470 1.00 25.21 H new ATOM 0 HD13 LEU A 423 0.427 -16.203 -9.707 1.00 25.21 H new ATOM 0 HD21 LEU A 423 2.583 -16.692 -11.943 1.00 34.21 H new ATOM 0 HD22 LEU A 423 1.079 -15.795 -12.259 1.00 34.21 H new ATOM 0 HD23 LEU A 423 2.654 -15.037 -12.593 1.00 34.21 H new ATOM 668 N THR A 424 1.289 -10.469 -12.188 1.00 43.42 N ATOM 669 CA THR A 424 0.742 -9.102 -12.136 1.00 21.50 C ATOM 670 C THR A 424 -0.792 -9.139 -11.934 1.00 32.05 C ATOM 671 O THR A 424 -1.544 -9.539 -12.828 1.00 24.34 O ATOM 672 CB THR A 424 1.117 -8.294 -13.423 1.00 61.33 C ATOM 673 OG1 THR A 424 2.550 -8.218 -13.553 1.00 11.42 O ATOM 674 CG2 THR A 424 0.542 -6.869 -13.405 1.00 73.43 C ATOM 0 H THR A 424 1.634 -10.734 -13.111 1.00 43.42 H new ATOM 0 HA THR A 424 1.188 -8.591 -11.283 1.00 21.50 H new ATOM 0 HB THR A 424 0.683 -8.823 -14.271 1.00 61.33 H new ATOM 0 HG1 THR A 424 2.874 -7.397 -13.127 1.00 11.42 H new ATOM 0 HG21 THR A 424 0.830 -6.349 -14.319 1.00 73.43 H new ATOM 0 HG22 THR A 424 -0.545 -6.916 -13.341 1.00 73.43 H new ATOM 0 HG23 THR A 424 0.933 -6.330 -12.542 1.00 73.43 H new ATOM 682 N ARG A 425 -1.225 -8.739 -10.732 1.00 22.31 N ATOM 683 CA ARG A 425 -2.633 -8.811 -10.290 1.00 54.33 C ATOM 684 C ARG A 425 -3.193 -7.383 -10.085 1.00 12.45 C ATOM 685 O ARG A 425 -2.437 -6.468 -9.749 1.00 43.14 O ATOM 686 CB ARG A 425 -2.696 -9.607 -8.954 1.00 23.11 C ATOM 687 CG ARG A 425 -4.086 -10.194 -8.585 1.00 23.50 C ATOM 688 CD ARG A 425 -4.325 -11.581 -9.221 1.00 43.22 C ATOM 689 NE ARG A 425 -3.324 -12.559 -8.747 1.00 4.33 N ATOM 690 CZ ARG A 425 -2.899 -13.622 -9.393 1.00 22.30 C ATOM 691 NH1 ARG A 425 -3.372 -13.944 -10.561 1.00 73.10 N ATOM 692 NH2 ARG A 425 -2.004 -14.373 -8.845 1.00 33.44 N ATOM 0 H ARG A 425 -0.602 -8.350 -10.025 1.00 22.31 H new ATOM 0 HA ARG A 425 -3.235 -9.314 -11.046 1.00 54.33 H new ATOM 0 HB2 ARG A 425 -1.978 -10.426 -9.006 1.00 23.11 H new ATOM 0 HB3 ARG A 425 -2.373 -8.951 -8.146 1.00 23.11 H new ATOM 0 HG2 ARG A 425 -4.167 -10.275 -7.501 1.00 23.50 H new ATOM 0 HG3 ARG A 425 -4.866 -9.507 -8.913 1.00 23.50 H new ATOM 0 HD2 ARG A 425 -5.327 -11.931 -8.973 1.00 43.22 H new ATOM 0 HD3 ARG A 425 -4.275 -11.501 -10.307 1.00 43.22 H new ATOM 0 HE ARG A 425 -2.922 -12.392 -7.825 1.00 4.33 H new ATOM 0 HH11 ARG A 425 -4.090 -13.366 -10.997 1.00 73.10 H new ATOM 0 HH12 ARG A 425 -3.025 -14.774 -11.041 1.00 73.10 H new ATOM 0 HH21 ARG A 425 -1.636 -14.138 -7.923 1.00 33.44 H new ATOM 0 HH22 ARG A 425 -1.664 -15.201 -9.334 1.00 33.44 H new ATOM 706 N SER A 426 -4.518 -7.196 -10.259 1.00 21.03 N ATOM 707 CA SER A 426 -5.160 -5.865 -10.105 1.00 23.20 C ATOM 708 C SER A 426 -6.622 -5.983 -9.623 1.00 13.34 C ATOM 709 O SER A 426 -7.307 -6.974 -9.903 1.00 13.12 O ATOM 710 CB SER A 426 -5.103 -5.060 -11.428 1.00 44.42 C ATOM 711 OG SER A 426 -5.827 -5.693 -12.472 1.00 11.43 O ATOM 0 H SER A 426 -5.166 -7.944 -10.505 1.00 21.03 H new ATOM 0 HA SER A 426 -4.595 -5.330 -9.342 1.00 23.20 H new ATOM 0 HB2 SER A 426 -5.507 -4.061 -11.261 1.00 44.42 H new ATOM 0 HB3 SER A 426 -4.064 -4.937 -11.732 1.00 44.42 H new ATOM 0 HG SER A 426 -5.767 -5.152 -13.287 1.00 11.43 H new ATOM 717 N LEU A 427 -7.092 -4.949 -8.889 1.00 72.41 N ATOM 718 CA LEU A 427 -8.453 -4.904 -8.285 1.00 25.10 C ATOM 719 C LEU A 427 -9.043 -3.466 -8.303 1.00 71.32 C ATOM 720 O LEU A 427 -8.290 -2.493 -8.173 1.00 63.42 O ATOM 721 CB LEU A 427 -8.395 -5.410 -6.819 1.00 62.31 C ATOM 722 CG LEU A 427 -8.288 -6.950 -6.628 1.00 73.40 C ATOM 723 CD1 LEU A 427 -7.869 -7.286 -5.195 1.00 31.33 C ATOM 724 CD2 LEU A 427 -9.622 -7.649 -6.995 1.00 31.41 C ATOM 0 H LEU A 427 -6.538 -4.115 -8.695 1.00 72.41 H new ATOM 0 HA LEU A 427 -9.099 -5.547 -8.882 1.00 25.10 H new ATOM 0 HB2 LEU A 427 -7.540 -4.944 -6.329 1.00 62.31 H new ATOM 0 HB3 LEU A 427 -9.288 -5.062 -6.301 1.00 62.31 H new ATOM 0 HG LEU A 427 -7.520 -7.325 -7.304 1.00 73.40 H new ATOM 0 HD11 LEU A 427 -7.799 -8.368 -5.080 1.00 31.33 H new ATOM 0 HD12 LEU A 427 -6.899 -6.836 -4.984 1.00 31.33 H new ATOM 0 HD13 LEU A 427 -8.610 -6.894 -4.498 1.00 31.33 H new ATOM 0 HD21 LEU A 427 -9.520 -8.725 -6.853 1.00 31.41 H new ATOM 0 HD22 LEU A 427 -10.419 -7.272 -6.354 1.00 31.41 H new ATOM 0 HD23 LEU A 427 -9.866 -7.442 -8.037 1.00 31.41 H new ATOM 736 N PRO A 428 -10.403 -3.312 -8.443 1.00 20.52 N ATOM 737 CA PRO A 428 -11.080 -1.991 -8.345 1.00 53.42 C ATOM 738 C PRO A 428 -11.063 -1.418 -6.896 1.00 42.24 C ATOM 739 O PRO A 428 -11.812 -1.865 -6.019 1.00 73.03 O ATOM 740 CB PRO A 428 -12.521 -2.298 -8.839 1.00 23.32 C ATOM 741 CG PRO A 428 -12.725 -3.750 -8.519 1.00 73.44 C ATOM 742 CD PRO A 428 -11.379 -4.406 -8.731 1.00 10.41 C ATOM 0 HA PRO A 428 -10.584 -1.219 -8.933 1.00 53.42 H new ATOM 0 HB2 PRO A 428 -13.256 -1.673 -8.333 1.00 23.32 H new ATOM 0 HB3 PRO A 428 -12.623 -2.109 -9.908 1.00 23.32 H new ATOM 0 HG2 PRO A 428 -13.067 -3.881 -7.493 1.00 73.44 H new ATOM 0 HG3 PRO A 428 -13.483 -4.191 -9.167 1.00 73.44 H new ATOM 0 HD2 PRO A 428 -11.238 -5.255 -8.062 1.00 10.41 H new ATOM 0 HD3 PRO A 428 -11.272 -4.781 -9.749 1.00 10.41 H new ATOM 750 N CYS A 429 -10.173 -0.436 -6.656 1.00 33.00 N ATOM 751 CA CYS A 429 -9.985 0.194 -5.325 1.00 63.44 C ATOM 752 C CYS A 429 -10.549 1.630 -5.291 1.00 21.44 C ATOM 753 O CYS A 429 -10.602 2.321 -6.314 1.00 24.43 O ATOM 754 CB CYS A 429 -8.480 0.226 -4.967 1.00 23.20 C ATOM 755 SG CYS A 429 -7.475 1.224 -6.091 1.00 12.24 S ATOM 0 H CYS A 429 -9.561 -0.053 -7.377 1.00 33.00 H new ATOM 0 HA CYS A 429 -10.530 -0.404 -4.595 1.00 63.44 H new ATOM 0 HB2 CYS A 429 -8.367 0.613 -3.954 1.00 23.20 H new ATOM 0 HB3 CYS A 429 -8.097 -0.794 -4.963 1.00 23.20 H new ATOM 0 HG CYS A 429 -6.737 2.043 -5.402 1.00 12.24 H new ATOM 761 N GLN A 430 -10.976 2.064 -4.095 1.00 65.04 N ATOM 762 CA GLN A 430 -11.445 3.442 -3.833 1.00 54.22 C ATOM 763 C GLN A 430 -10.757 3.994 -2.559 1.00 42.40 C ATOM 764 O GLN A 430 -10.850 3.388 -1.496 1.00 52.32 O ATOM 765 CB GLN A 430 -12.990 3.471 -3.635 1.00 53.42 C ATOM 766 CG GLN A 430 -13.836 3.126 -4.880 1.00 1.51 C ATOM 767 CD GLN A 430 -15.350 3.263 -4.640 1.00 1.43 C ATOM 768 OE1 GLN A 430 -15.837 3.071 -3.531 1.00 1.22 O ATOM 769 NE2 GLN A 430 -16.108 3.579 -5.677 1.00 53.12 N ATOM 0 H GLN A 430 -11.007 1.464 -3.270 1.00 65.04 H new ATOM 0 HA GLN A 430 -11.188 4.062 -4.692 1.00 54.22 H new ATOM 0 HB2 GLN A 430 -13.248 2.772 -2.839 1.00 53.42 H new ATOM 0 HB3 GLN A 430 -13.274 4.465 -3.291 1.00 53.42 H new ATOM 0 HG2 GLN A 430 -13.544 3.779 -5.702 1.00 1.51 H new ATOM 0 HG3 GLN A 430 -13.615 2.105 -5.190 1.00 1.51 H new ATOM 0 HE21 GLN A 430 -15.683 3.735 -6.591 1.00 53.12 H new ATOM 0 HE22 GLN A 430 -17.118 3.667 -5.563 1.00 53.12 H new ATOM 778 N VAL A 431 -10.084 5.152 -2.669 1.00 75.54 N ATOM 779 CA VAL A 431 -9.460 5.817 -1.503 1.00 73.31 C ATOM 780 C VAL A 431 -10.491 6.728 -0.796 1.00 21.11 C ATOM 781 O VAL A 431 -10.914 7.749 -1.336 1.00 24.43 O ATOM 782 CB VAL A 431 -8.195 6.662 -1.923 1.00 72.42 C ATOM 783 CG1 VAL A 431 -7.556 7.397 -0.710 1.00 51.32 C ATOM 784 CG2 VAL A 431 -7.155 5.768 -2.633 1.00 65.10 C ATOM 0 H VAL A 431 -9.956 5.649 -3.550 1.00 75.54 H new ATOM 0 HA VAL A 431 -9.130 5.039 -0.815 1.00 73.31 H new ATOM 0 HB VAL A 431 -8.532 7.427 -2.622 1.00 72.42 H new ATOM 0 HG11 VAL A 431 -6.689 7.966 -1.045 1.00 51.32 H new ATOM 0 HG12 VAL A 431 -8.287 8.075 -0.269 1.00 51.32 H new ATOM 0 HG13 VAL A 431 -7.244 6.666 0.035 1.00 51.32 H new ATOM 0 HG21 VAL A 431 -6.290 6.369 -2.915 1.00 65.10 H new ATOM 0 HG22 VAL A 431 -6.839 4.972 -1.959 1.00 65.10 H new ATOM 0 HG23 VAL A 431 -7.600 5.332 -3.527 1.00 65.10 H new ATOM 794 N TYR A 432 -10.922 6.300 0.394 1.00 41.40 N ATOM 795 CA TYR A 432 -11.757 7.096 1.311 1.00 25.35 C ATOM 796 C TYR A 432 -10.888 7.863 2.335 1.00 3.12 C ATOM 797 O TYR A 432 -9.999 7.291 2.973 1.00 74.24 O ATOM 798 CB TYR A 432 -12.768 6.177 2.049 1.00 10.43 C ATOM 799 CG TYR A 432 -13.941 5.700 1.176 1.00 65.22 C ATOM 800 CD1 TYR A 432 -13.771 4.710 0.212 1.00 52.42 C ATOM 801 CD2 TYR A 432 -15.218 6.256 1.317 1.00 11.42 C ATOM 802 CE1 TYR A 432 -14.826 4.291 -0.574 1.00 45.20 C ATOM 803 CE2 TYR A 432 -16.274 5.838 0.529 1.00 45.22 C ATOM 804 CZ TYR A 432 -16.073 4.857 -0.413 1.00 23.24 C ATOM 805 OH TYR A 432 -17.119 4.450 -1.210 1.00 14.41 O ATOM 0 H TYR A 432 -10.699 5.374 0.758 1.00 41.40 H new ATOM 0 HA TYR A 432 -12.306 7.828 0.718 1.00 25.35 H new ATOM 0 HB2 TYR A 432 -12.237 5.305 2.432 1.00 10.43 H new ATOM 0 HB3 TYR A 432 -13.166 6.712 2.911 1.00 10.43 H new ATOM 0 HD1 TYR A 432 -12.798 4.262 0.077 1.00 52.42 H new ATOM 0 HD2 TYR A 432 -15.381 7.027 2.056 1.00 11.42 H new ATOM 0 HE1 TYR A 432 -14.675 3.520 -1.315 1.00 45.20 H new ATOM 0 HE2 TYR A 432 -17.252 6.280 0.653 1.00 45.22 H new ATOM 0 HH TYR A 432 -16.768 3.991 -2.001 1.00 14.41 H new ATOM 815 N VAL A 433 -11.171 9.164 2.485 1.00 34.11 N ATOM 816 CA VAL A 433 -10.513 10.055 3.467 1.00 71.40 C ATOM 817 C VAL A 433 -11.558 10.663 4.428 1.00 11.34 C ATOM 818 O VAL A 433 -12.758 10.436 4.291 1.00 22.21 O ATOM 819 CB VAL A 433 -9.734 11.215 2.749 1.00 11.00 C ATOM 820 CG1 VAL A 433 -8.588 10.667 1.874 1.00 40.34 C ATOM 821 CG2 VAL A 433 -10.709 12.105 1.930 1.00 71.20 C ATOM 0 H VAL A 433 -11.874 9.641 1.921 1.00 34.11 H new ATOM 0 HA VAL A 433 -9.803 9.453 4.033 1.00 71.40 H new ATOM 0 HB VAL A 433 -9.277 11.841 3.515 1.00 11.00 H new ATOM 0 HG11 VAL A 433 -8.070 11.496 1.392 1.00 40.34 H new ATOM 0 HG12 VAL A 433 -7.886 10.114 2.498 1.00 40.34 H new ATOM 0 HG13 VAL A 433 -8.997 10.003 1.113 1.00 40.34 H new ATOM 0 HG21 VAL A 433 -10.150 12.902 1.441 1.00 71.20 H new ATOM 0 HG22 VAL A 433 -11.210 11.498 1.176 1.00 71.20 H new ATOM 0 HG23 VAL A 433 -11.452 12.540 2.598 1.00 71.20 H new ATOM 831 N ASN A 434 -11.085 11.478 5.378 1.00 23.53 N ATOM 832 CA ASN A 434 -11.953 12.138 6.377 1.00 71.34 C ATOM 833 C ASN A 434 -12.759 13.317 5.753 1.00 74.50 C ATOM 834 O ASN A 434 -12.567 13.674 4.584 1.00 3.33 O ATOM 835 CB ASN A 434 -11.085 12.602 7.573 1.00 73.25 C ATOM 836 CG ASN A 434 -10.271 11.452 8.177 1.00 65.13 C ATOM 837 OD1 ASN A 434 -10.737 10.731 9.055 1.00 32.52 O ATOM 838 ND2 ASN A 434 -9.055 11.261 7.693 1.00 43.24 N ATOM 0 H ASN A 434 -10.095 11.702 5.481 1.00 23.53 H new ATOM 0 HA ASN A 434 -12.693 11.422 6.734 1.00 71.34 H new ATOM 0 HB2 ASN A 434 -10.408 13.391 7.244 1.00 73.25 H new ATOM 0 HB3 ASN A 434 -11.728 13.033 8.341 1.00 73.25 H new ATOM 0 HD21 ASN A 434 -8.478 10.499 8.049 1.00 43.24 H new ATOM 0 HD22 ASN A 434 -8.694 11.876 6.964 1.00 43.24 H new ATOM 884 N ASN A 438 -7.040 17.472 3.730 1.00 30.41 N ATOM 885 CA ASN A 438 -5.907 18.229 3.130 1.00 31.22 C ATOM 886 C ASN A 438 -5.542 17.584 1.764 1.00 25.54 C ATOM 887 O ASN A 438 -5.233 18.275 0.790 1.00 51.11 O ATOM 888 CB ASN A 438 -4.664 18.205 4.092 1.00 21.52 C ATOM 889 CG ASN A 438 -3.496 19.138 3.705 1.00 54.52 C ATOM 890 OD1 ASN A 438 -3.251 19.433 2.542 1.00 72.22 O ATOM 891 ND2 ASN A 438 -2.755 19.619 4.691 1.00 43.41 N ATOM 0 HA ASN A 438 -6.200 19.268 2.979 1.00 31.22 H new ATOM 0 HB2 ASN A 438 -4.999 18.471 5.095 1.00 21.52 H new ATOM 0 HB3 ASN A 438 -4.287 17.184 4.142 1.00 21.52 H new ATOM 0 HD21 ASN A 438 -1.973 20.241 4.485 1.00 43.41 H new ATOM 0 HD22 ASN A 438 -2.966 19.368 5.657 1.00 43.41 H new ATOM 898 N LEU A 439 -5.617 16.236 1.737 1.00 11.10 N ATOM 899 CA LEU A 439 -5.146 15.375 0.629 1.00 73.20 C ATOM 900 C LEU A 439 -5.836 15.683 -0.730 1.00 72.32 C ATOM 901 O LEU A 439 -6.958 15.235 -0.991 1.00 51.13 O ATOM 902 CB LEU A 439 -5.381 13.881 1.017 1.00 33.11 C ATOM 903 CG LEU A 439 -4.846 12.820 0.010 1.00 3.01 C ATOM 904 CD1 LEU A 439 -3.312 12.867 -0.079 1.00 15.41 C ATOM 905 CD2 LEU A 439 -5.357 11.410 0.372 1.00 4.04 C ATOM 0 H LEU A 439 -6.018 15.701 2.507 1.00 11.10 H new ATOM 0 HA LEU A 439 -4.085 15.581 0.486 1.00 73.20 H new ATOM 0 HB2 LEU A 439 -4.915 13.701 1.986 1.00 33.11 H new ATOM 0 HB3 LEU A 439 -6.452 13.724 1.144 1.00 33.11 H new ATOM 0 HG LEU A 439 -5.234 13.063 -0.979 1.00 3.01 H new ATOM 0 HD11 LEU A 439 -2.966 12.116 -0.789 1.00 15.41 H new ATOM 0 HD12 LEU A 439 -2.997 13.855 -0.414 1.00 15.41 H new ATOM 0 HD13 LEU A 439 -2.884 12.663 0.903 1.00 15.41 H new ATOM 0 HD21 LEU A 439 -4.970 10.687 -0.346 1.00 4.04 H new ATOM 0 HD22 LEU A 439 -5.016 11.145 1.373 1.00 4.04 H new ATOM 0 HD23 LEU A 439 -6.447 11.400 0.345 1.00 4.04 H new ATOM 917 N LYS A 440 -5.150 16.459 -1.589 1.00 22.44 N ATOM 918 CA LYS A 440 -5.607 16.709 -2.977 1.00 73.22 C ATOM 919 C LYS A 440 -5.278 15.486 -3.880 1.00 3.43 C ATOM 920 O LYS A 440 -4.183 14.916 -3.795 1.00 41.22 O ATOM 921 CB LYS A 440 -4.985 18.024 -3.528 1.00 4.23 C ATOM 922 CG LYS A 440 -3.440 18.073 -3.575 1.00 43.11 C ATOM 923 CD LYS A 440 -2.897 19.456 -4.020 1.00 44.52 C ATOM 924 CE LYS A 440 -3.371 19.870 -5.429 1.00 53.11 C ATOM 925 NZ LYS A 440 -2.818 21.187 -5.844 1.00 33.15 N ATOM 0 H LYS A 440 -4.275 16.926 -1.350 1.00 22.44 H new ATOM 0 HA LYS A 440 -6.689 16.838 -2.979 1.00 73.22 H new ATOM 0 HB2 LYS A 440 -5.365 18.188 -4.536 1.00 4.23 H new ATOM 0 HB3 LYS A 440 -5.337 18.854 -2.915 1.00 4.23 H new ATOM 0 HG2 LYS A 440 -3.043 17.832 -2.589 1.00 43.11 H new ATOM 0 HG3 LYS A 440 -3.077 17.307 -4.261 1.00 43.11 H new ATOM 0 HD2 LYS A 440 -3.213 20.212 -3.301 1.00 44.52 H new ATOM 0 HD3 LYS A 440 -1.807 19.434 -4.002 1.00 44.52 H new ATOM 0 HE2 LYS A 440 -3.071 19.109 -6.149 1.00 53.11 H new ATOM 0 HE3 LYS A 440 -4.460 19.914 -5.446 1.00 53.11 H new ATOM 0 HZ1 LYS A 440 -3.163 21.424 -6.796 1.00 33.15 H new ATOM 0 HZ2 LYS A 440 -3.125 21.919 -5.172 1.00 33.15 H new ATOM 0 HZ3 LYS A 440 -1.779 21.140 -5.854 1.00 33.15 H new ATOM 939 N THR A 441 -6.252 15.060 -4.711 1.00 52.54 N ATOM 940 CA THR A 441 -6.153 13.804 -5.521 1.00 73.20 C ATOM 941 C THR A 441 -6.307 14.047 -7.048 1.00 14.24 C ATOM 942 O THR A 441 -6.502 13.091 -7.809 1.00 31.33 O ATOM 943 CB THR A 441 -7.231 12.759 -5.055 1.00 34.45 C ATOM 944 OG1 THR A 441 -8.550 13.313 -5.207 1.00 60.50 O ATOM 945 CG2 THR A 441 -7.034 12.324 -3.587 1.00 24.43 C ATOM 0 H THR A 441 -7.128 15.565 -4.847 1.00 52.54 H new ATOM 0 HA THR A 441 -5.149 13.415 -5.349 1.00 73.20 H new ATOM 0 HB THR A 441 -7.112 11.877 -5.685 1.00 34.45 H new ATOM 0 HG1 THR A 441 -9.219 12.631 -4.986 1.00 60.50 H new ATOM 0 HG21 THR A 441 -7.804 11.602 -3.315 1.00 24.43 H new ATOM 0 HG22 THR A 441 -6.051 11.867 -3.472 1.00 24.43 H new ATOM 0 HG23 THR A 441 -7.108 13.195 -2.936 1.00 24.43 H new ATOM 953 N GLU A 442 -6.182 15.313 -7.496 1.00 54.04 N ATOM 954 CA GLU A 442 -6.337 15.689 -8.931 1.00 31.35 C ATOM 955 C GLU A 442 -5.155 15.174 -9.802 1.00 52.21 C ATOM 956 O GLU A 442 -5.351 14.728 -10.938 1.00 60.24 O ATOM 957 CB GLU A 442 -6.481 17.230 -9.055 1.00 32.23 C ATOM 958 CG GLU A 442 -6.807 17.747 -10.475 1.00 0.44 C ATOM 959 CD GLU A 442 -7.120 19.254 -10.509 1.00 21.24 C ATOM 960 OE1 GLU A 442 -6.175 20.068 -10.565 1.00 42.13 O ATOM 961 OE2 GLU A 442 -8.312 19.636 -10.459 1.00 52.24 O ATOM 0 H GLU A 442 -5.973 16.103 -6.886 1.00 54.04 H new ATOM 0 HA GLU A 442 -7.240 15.209 -9.309 1.00 31.35 H new ATOM 0 HB2 GLU A 442 -7.266 17.562 -8.376 1.00 32.23 H new ATOM 0 HB3 GLU A 442 -5.553 17.694 -8.721 1.00 32.23 H new ATOM 0 HG2 GLU A 442 -5.963 17.542 -11.133 1.00 0.44 H new ATOM 0 HG3 GLU A 442 -7.660 17.195 -10.870 1.00 0.44 H new ATOM 968 N GLN A 443 -3.934 15.238 -9.244 1.00 41.40 N ATOM 969 CA GLN A 443 -2.692 14.763 -9.919 1.00 14.15 C ATOM 970 C GLN A 443 -2.558 13.214 -9.908 1.00 64.50 C ATOM 971 O GLN A 443 -1.656 12.665 -10.554 1.00 14.21 O ATOM 972 CB GLN A 443 -1.424 15.413 -9.287 1.00 25.23 C ATOM 973 CG GLN A 443 -1.138 15.055 -7.809 1.00 54.32 C ATOM 974 CD GLN A 443 -2.030 15.804 -6.825 1.00 12.12 C ATOM 975 OE1 GLN A 443 -3.088 15.337 -6.434 1.00 12.45 O ATOM 976 NE2 GLN A 443 -1.620 16.990 -6.450 1.00 32.35 N ATOM 0 H GLN A 443 -3.770 15.619 -8.312 1.00 41.40 H new ATOM 0 HA GLN A 443 -2.772 15.077 -10.960 1.00 14.15 H new ATOM 0 HB2 GLN A 443 -0.558 15.125 -9.883 1.00 25.23 H new ATOM 0 HB3 GLN A 443 -1.519 16.496 -9.365 1.00 25.23 H new ATOM 0 HG2 GLN A 443 -1.274 13.983 -7.669 1.00 54.32 H new ATOM 0 HG3 GLN A 443 -0.095 15.276 -7.584 1.00 54.32 H new ATOM 0 HE21 GLN A 443 -0.731 17.354 -6.793 1.00 32.35 H new ATOM 0 HE22 GLN A 443 -2.189 17.549 -5.815 1.00 32.35 H new ATOM 985 N TRP A 444 -3.444 12.524 -9.162 1.00 22.55 N ATOM 986 CA TRP A 444 -3.476 11.044 -9.114 1.00 74.51 C ATOM 987 C TRP A 444 -4.114 10.487 -10.425 1.00 30.12 C ATOM 988 O TRP A 444 -5.190 10.951 -10.830 1.00 52.34 O ATOM 989 CB TRP A 444 -4.290 10.542 -7.882 1.00 74.20 C ATOM 990 CG TRP A 444 -3.754 10.916 -6.506 1.00 55.11 C ATOM 991 CD1 TRP A 444 -3.007 12.009 -6.156 1.00 75.10 C ATOM 992 CD2 TRP A 444 -3.982 10.191 -5.282 1.00 44.10 C ATOM 993 NE1 TRP A 444 -2.766 12.008 -4.806 1.00 20.33 N ATOM 994 CE2 TRP A 444 -3.347 10.900 -4.248 1.00 4.21 C ATOM 995 CE3 TRP A 444 -4.655 9.002 -4.970 1.00 43.33 C ATOM 996 CZ2 TRP A 444 -3.373 10.469 -2.925 1.00 3.45 C ATOM 997 CZ3 TRP A 444 -4.680 8.575 -3.655 1.00 13.51 C ATOM 998 CH2 TRP A 444 -4.043 9.309 -2.647 1.00 72.50 C ATOM 0 H TRP A 444 -4.153 12.970 -8.580 1.00 22.55 H new ATOM 0 HA TRP A 444 -2.452 10.683 -9.021 1.00 74.51 H new ATOM 0 HB2 TRP A 444 -5.306 10.927 -7.967 1.00 74.20 H new ATOM 0 HB3 TRP A 444 -4.355 9.455 -7.938 1.00 74.20 H new ATOM 0 HD1 TRP A 444 -2.658 12.764 -6.845 1.00 75.10 H new ATOM 0 HE1 TRP A 444 -2.239 12.718 -4.299 1.00 20.33 H new ATOM 0 HE3 TRP A 444 -5.146 8.429 -5.743 1.00 43.33 H new ATOM 0 HZ2 TRP A 444 -2.881 11.031 -2.145 1.00 3.45 H new ATOM 0 HZ3 TRP A 444 -5.198 7.662 -3.402 1.00 13.51 H new ATOM 0 HH2 TRP A 444 -4.081 8.952 -1.628 1.00 72.50 H new ATOM 1009 N PRO A 445 -3.458 9.495 -11.122 1.00 40.22 N ATOM 1010 CA PRO A 445 -4.021 8.859 -12.360 1.00 31.43 C ATOM 1011 C PRO A 445 -5.272 7.973 -12.083 1.00 31.31 C ATOM 1012 O PRO A 445 -5.830 7.996 -10.996 1.00 43.25 O ATOM 1013 CB PRO A 445 -2.834 8.004 -12.887 1.00 1.43 C ATOM 1014 CG PRO A 445 -1.996 7.725 -11.674 1.00 53.11 C ATOM 1015 CD PRO A 445 -2.121 8.941 -10.778 1.00 0.52 C ATOM 0 HA PRO A 445 -4.380 9.603 -13.071 1.00 31.43 H new ATOM 0 HB2 PRO A 445 -3.185 7.080 -13.347 1.00 1.43 H new ATOM 0 HB3 PRO A 445 -2.265 8.541 -13.646 1.00 1.43 H new ATOM 0 HG2 PRO A 445 -2.342 6.828 -11.161 1.00 53.11 H new ATOM 0 HG3 PRO A 445 -0.956 7.553 -11.952 1.00 53.11 H new ATOM 0 HD2 PRO A 445 -2.059 8.670 -9.724 1.00 0.52 H new ATOM 0 HD3 PRO A 445 -1.327 9.663 -10.969 1.00 0.52 H new ATOM 1023 N GLN A 446 -5.713 7.203 -13.097 1.00 60.10 N ATOM 1024 CA GLN A 446 -6.805 6.200 -12.931 1.00 2.22 C ATOM 1025 C GLN A 446 -6.268 4.867 -12.347 1.00 45.32 C ATOM 1026 O GLN A 446 -7.034 4.029 -11.866 1.00 14.51 O ATOM 1027 CB GLN A 446 -7.495 5.930 -14.297 1.00 72.12 C ATOM 1028 CG GLN A 446 -6.606 5.219 -15.345 1.00 20.42 C ATOM 1029 CD GLN A 446 -7.309 4.988 -16.686 1.00 22.13 C ATOM 1030 OE1 GLN A 446 -7.231 5.804 -17.597 1.00 74.12 O ATOM 1031 NE2 GLN A 446 -8.019 3.886 -16.805 1.00 31.11 N ATOM 0 H GLN A 446 -5.335 7.250 -14.043 1.00 60.10 H new ATOM 0 HA GLN A 446 -7.530 6.612 -12.229 1.00 2.22 H new ATOM 0 HB2 GLN A 446 -8.385 5.324 -14.125 1.00 72.12 H new ATOM 0 HB3 GLN A 446 -7.832 6.880 -14.712 1.00 72.12 H new ATOM 0 HG2 GLN A 446 -5.708 5.814 -15.512 1.00 20.42 H new ATOM 0 HG3 GLN A 446 -6.282 4.259 -14.944 1.00 20.42 H new ATOM 0 HE21 GLN A 446 -8.067 3.224 -16.031 1.00 31.11 H new ATOM 0 HE22 GLN A 446 -8.522 3.694 -17.672 1.00 31.11 H new ATOM 1040 N LYS A 447 -4.941 4.695 -12.405 1.00 4.14 N ATOM 1041 CA LYS A 447 -4.255 3.433 -12.081 1.00 65.24 C ATOM 1042 C LYS A 447 -3.105 3.663 -11.078 1.00 25.01 C ATOM 1043 O LYS A 447 -2.293 4.569 -11.261 1.00 4.33 O ATOM 1044 CB LYS A 447 -3.690 2.818 -13.388 1.00 44.32 C ATOM 1045 CG LYS A 447 -2.914 1.500 -13.192 1.00 12.33 C ATOM 1046 CD LYS A 447 -2.222 1.012 -14.483 1.00 42.22 C ATOM 1047 CE LYS A 447 -1.433 -0.283 -14.252 1.00 51.24 C ATOM 1048 NZ LYS A 447 -0.726 -0.759 -15.468 1.00 44.15 N ATOM 0 H LYS A 447 -4.302 5.440 -12.683 1.00 4.14 H new ATOM 0 HA LYS A 447 -4.972 2.753 -11.621 1.00 65.24 H new ATOM 0 HB2 LYS A 447 -4.516 2.640 -14.077 1.00 44.32 H new ATOM 0 HB3 LYS A 447 -3.031 3.546 -13.862 1.00 44.32 H new ATOM 0 HG2 LYS A 447 -2.164 1.639 -12.414 1.00 12.33 H new ATOM 0 HG3 LYS A 447 -3.600 0.729 -12.840 1.00 12.33 H new ATOM 0 HD2 LYS A 447 -2.971 0.848 -15.257 1.00 42.22 H new ATOM 0 HD3 LYS A 447 -1.549 1.787 -14.850 1.00 42.22 H new ATOM 0 HE2 LYS A 447 -0.706 -0.121 -13.456 1.00 51.24 H new ATOM 0 HE3 LYS A 447 -2.115 -1.060 -13.908 1.00 51.24 H new ATOM 0 HZ1 LYS A 447 -0.212 -1.636 -15.250 1.00 44.15 H new ATOM 0 HZ2 LYS A 447 -1.418 -0.942 -16.222 1.00 44.15 H new ATOM 0 HZ3 LYS A 447 -0.053 -0.032 -15.785 1.00 44.15 H new ATOM 1062 N LEU A 448 -3.030 2.819 -10.038 1.00 14.11 N ATOM 1063 CA LEU A 448 -1.890 2.807 -9.082 1.00 33.33 C ATOM 1064 C LEU A 448 -1.101 1.487 -9.211 1.00 34.30 C ATOM 1065 O LEU A 448 -1.684 0.443 -9.482 1.00 21.34 O ATOM 1066 CB LEU A 448 -2.377 3.006 -7.618 1.00 33.02 C ATOM 1067 CG LEU A 448 -3.108 4.353 -7.304 1.00 4.45 C ATOM 1068 CD1 LEU A 448 -3.436 4.486 -5.798 1.00 24.13 C ATOM 1069 CD2 LEU A 448 -2.311 5.575 -7.821 1.00 12.32 C ATOM 0 H LEU A 448 -3.748 2.126 -9.828 1.00 14.11 H new ATOM 0 HA LEU A 448 -1.232 3.640 -9.331 1.00 33.33 H new ATOM 0 HB2 LEU A 448 -3.050 2.186 -7.368 1.00 33.02 H new ATOM 0 HB3 LEU A 448 -1.514 2.924 -6.957 1.00 33.02 H new ATOM 0 HG LEU A 448 -4.055 4.335 -7.843 1.00 4.45 H new ATOM 0 HD11 LEU A 448 -3.943 5.434 -5.618 1.00 24.13 H new ATOM 0 HD12 LEU A 448 -4.084 3.664 -5.493 1.00 24.13 H new ATOM 0 HD13 LEU A 448 -2.512 4.454 -5.220 1.00 24.13 H new ATOM 0 HD21 LEU A 448 -2.853 6.490 -7.583 1.00 12.32 H new ATOM 0 HD22 LEU A 448 -1.331 5.599 -7.344 1.00 12.32 H new ATOM 0 HD23 LEU A 448 -2.187 5.498 -8.901 1.00 12.32 H new ATOM 1081 N ILE A 449 0.240 1.558 -9.060 1.00 35.34 N ATOM 1082 CA ILE A 449 1.137 0.371 -9.100 1.00 73.51 C ATOM 1083 C ILE A 449 1.907 0.282 -7.760 1.00 13.21 C ATOM 1084 O ILE A 449 2.395 1.301 -7.259 1.00 12.03 O ATOM 1085 CB ILE A 449 2.179 0.406 -10.308 1.00 25.33 C ATOM 1086 CG1 ILE A 449 1.481 0.607 -11.706 1.00 71.45 C ATOM 1087 CG2 ILE A 449 3.050 -0.885 -10.329 1.00 43.40 C ATOM 1088 CD1 ILE A 449 1.053 2.035 -12.032 1.00 34.11 C ATOM 0 H ILE A 449 0.735 2.437 -8.907 1.00 35.34 H new ATOM 0 HA ILE A 449 0.507 -0.505 -9.256 1.00 73.51 H new ATOM 0 HB ILE A 449 2.821 1.270 -10.136 1.00 25.33 H new ATOM 0 HG12 ILE A 449 2.163 0.265 -12.485 1.00 71.45 H new ATOM 0 HG13 ILE A 449 0.601 -0.035 -11.748 1.00 71.45 H new ATOM 0 HG21 ILE A 449 3.752 -0.837 -11.161 1.00 43.40 H new ATOM 0 HG22 ILE A 449 3.602 -0.967 -9.393 1.00 43.40 H new ATOM 0 HG23 ILE A 449 2.406 -1.756 -10.448 1.00 43.40 H new ATOM 0 HD11 ILE A 449 0.584 2.059 -13.016 1.00 34.11 H new ATOM 0 HD12 ILE A 449 0.341 2.382 -11.283 1.00 34.11 H new ATOM 0 HD13 ILE A 449 1.927 2.686 -12.031 1.00 34.11 H new ATOM 1100 N MET A 450 2.030 -0.933 -7.191 1.00 33.12 N ATOM 1101 CA MET A 450 2.727 -1.154 -5.904 1.00 32.21 C ATOM 1102 C MET A 450 3.618 -2.412 -5.955 1.00 24.24 C ATOM 1103 O MET A 450 3.469 -3.264 -6.843 1.00 43.33 O ATOM 1104 CB MET A 450 1.714 -1.238 -4.721 1.00 11.42 C ATOM 1105 CG MET A 450 1.005 -2.573 -4.526 1.00 30.33 C ATOM 1106 SD MET A 450 -0.276 -2.499 -3.254 1.00 62.43 S ATOM 1107 CE MET A 450 -0.789 -4.215 -3.145 1.00 71.41 C ATOM 0 H MET A 450 1.653 -1.785 -7.605 1.00 33.12 H new ATOM 0 HA MET A 450 3.375 -0.294 -5.732 1.00 32.21 H new ATOM 0 HB2 MET A 450 2.244 -0.996 -3.800 1.00 11.42 H new ATOM 0 HB3 MET A 450 0.957 -0.467 -4.865 1.00 11.42 H new ATOM 0 HG2 MET A 450 0.557 -2.884 -5.470 1.00 30.33 H new ATOM 0 HG3 MET A 450 1.738 -3.333 -4.255 1.00 30.33 H new ATOM 0 HE1 MET A 450 -1.779 -4.328 -3.587 1.00 71.41 H new ATOM 0 HE2 MET A 450 -0.078 -4.842 -3.682 1.00 71.41 H new ATOM 0 HE3 MET A 450 -0.823 -4.519 -2.099 1.00 71.41 H new ATOM 1117 N GLN A 451 4.550 -2.508 -4.996 1.00 34.12 N ATOM 1118 CA GLN A 451 5.480 -3.653 -4.880 1.00 31.04 C ATOM 1119 C GLN A 451 5.259 -4.396 -3.547 1.00 72.02 C ATOM 1120 O GLN A 451 5.305 -3.778 -2.479 1.00 75.33 O ATOM 1121 CB GLN A 451 6.942 -3.143 -4.978 1.00 31.14 C ATOM 1122 CG GLN A 451 8.008 -4.256 -5.004 1.00 4.32 C ATOM 1123 CD GLN A 451 9.435 -3.720 -5.108 1.00 74.42 C ATOM 1124 OE1 GLN A 451 9.963 -3.525 -6.197 1.00 35.32 O ATOM 1125 NE2 GLN A 451 10.074 -3.480 -3.982 1.00 65.03 N ATOM 0 H GLN A 451 4.685 -1.797 -4.277 1.00 34.12 H new ATOM 0 HA GLN A 451 5.288 -4.352 -5.694 1.00 31.04 H new ATOM 0 HB2 GLN A 451 7.043 -2.540 -5.880 1.00 31.14 H new ATOM 0 HB3 GLN A 451 7.142 -2.486 -4.131 1.00 31.14 H new ATOM 0 HG2 GLN A 451 7.918 -4.858 -4.100 1.00 4.32 H new ATOM 0 HG3 GLN A 451 7.813 -4.918 -5.848 1.00 4.32 H new ATOM 0 HE21 GLN A 451 9.613 -3.650 -3.088 1.00 65.03 H new ATOM 0 HE22 GLN A 451 11.030 -3.124 -4.004 1.00 65.03 H new ATOM 1134 N LEU A 452 5.011 -5.721 -3.615 1.00 54.12 N ATOM 1135 CA LEU A 452 4.855 -6.566 -2.414 1.00 61.50 C ATOM 1136 C LEU A 452 6.226 -6.833 -1.749 1.00 2.54 C ATOM 1137 O LEU A 452 7.104 -7.465 -2.345 1.00 51.35 O ATOM 1138 CB LEU A 452 4.154 -7.906 -2.764 1.00 25.21 C ATOM 1139 CG LEU A 452 2.671 -7.798 -3.241 1.00 13.15 C ATOM 1140 CD1 LEU A 452 2.110 -9.195 -3.587 1.00 33.25 C ATOM 1141 CD2 LEU A 452 1.784 -7.079 -2.186 1.00 54.32 C ATOM 0 H LEU A 452 4.914 -6.230 -4.494 1.00 54.12 H new ATOM 0 HA LEU A 452 4.226 -6.027 -1.706 1.00 61.50 H new ATOM 0 HB2 LEU A 452 4.731 -8.402 -3.545 1.00 25.21 H new ATOM 0 HB3 LEU A 452 4.186 -8.550 -1.886 1.00 25.21 H new ATOM 0 HG LEU A 452 2.652 -7.190 -4.145 1.00 13.15 H new ATOM 0 HD11 LEU A 452 1.076 -9.100 -3.917 1.00 33.25 H new ATOM 0 HD12 LEU A 452 2.706 -9.639 -4.384 1.00 33.25 H new ATOM 0 HD13 LEU A 452 2.152 -9.833 -2.704 1.00 33.25 H new ATOM 0 HD21 LEU A 452 0.759 -7.022 -2.551 1.00 54.32 H new ATOM 0 HD22 LEU A 452 1.805 -7.638 -1.251 1.00 54.32 H new ATOM 0 HD23 LEU A 452 2.165 -6.072 -2.015 1.00 54.32 H new ATOM 1153 N ILE A 453 6.398 -6.298 -0.533 1.00 55.34 N ATOM 1154 CA ILE A 453 7.584 -6.512 0.323 1.00 62.54 C ATOM 1155 C ILE A 453 7.113 -6.993 1.724 1.00 70.43 C ATOM 1156 O ILE A 453 5.991 -6.668 2.135 1.00 75.33 O ATOM 1157 CB ILE A 453 8.455 -5.197 0.457 1.00 12.21 C ATOM 1158 CG1 ILE A 453 7.604 -3.998 0.997 1.00 5.00 C ATOM 1159 CG2 ILE A 453 9.138 -4.841 -0.889 1.00 44.32 C ATOM 1160 CD1 ILE A 453 8.374 -2.695 1.193 1.00 61.35 C ATOM 0 H ILE A 453 5.702 -5.689 -0.102 1.00 55.34 H new ATOM 0 HA ILE A 453 8.216 -7.270 -0.140 1.00 62.54 H new ATOM 0 HB ILE A 453 9.240 -5.394 1.187 1.00 12.21 H new ATOM 0 HG12 ILE A 453 6.782 -3.816 0.305 1.00 5.00 H new ATOM 0 HG13 ILE A 453 7.161 -4.287 1.950 1.00 5.00 H new ATOM 0 HG21 ILE A 453 9.730 -3.934 -0.768 1.00 44.32 H new ATOM 0 HG22 ILE A 453 9.789 -5.660 -1.195 1.00 44.32 H new ATOM 0 HG23 ILE A 453 8.376 -4.678 -1.652 1.00 44.32 H new ATOM 0 HD11 ILE A 453 7.699 -1.926 1.569 1.00 61.35 H new ATOM 0 HD12 ILE A 453 9.180 -2.853 1.910 1.00 61.35 H new ATOM 0 HD13 ILE A 453 8.794 -2.374 0.240 1.00 61.35 H new ATOM 1172 N PRO A 454 7.938 -7.794 2.478 1.00 31.44 N ATOM 1173 CA PRO A 454 7.537 -8.301 3.814 1.00 2.15 C ATOM 1174 C PRO A 454 7.366 -7.159 4.858 1.00 34.44 C ATOM 1175 O PRO A 454 8.243 -6.299 5.016 1.00 21.23 O ATOM 1176 CB PRO A 454 8.675 -9.285 4.191 1.00 15.24 C ATOM 1177 CG PRO A 454 9.855 -8.816 3.397 1.00 23.23 C ATOM 1178 CD PRO A 454 9.299 -8.267 2.099 1.00 53.41 C ATOM 0 HA PRO A 454 6.559 -8.783 3.799 1.00 2.15 H new ATOM 0 HB2 PRO A 454 8.882 -9.261 5.261 1.00 15.24 H new ATOM 0 HB3 PRO A 454 8.411 -10.312 3.940 1.00 15.24 H new ATOM 0 HG2 PRO A 454 10.409 -8.049 3.939 1.00 23.23 H new ATOM 0 HG3 PRO A 454 10.548 -9.636 3.208 1.00 23.23 H new ATOM 0 HD2 PRO A 454 9.913 -7.454 1.711 1.00 53.41 H new ATOM 0 HD3 PRO A 454 9.257 -9.033 1.324 1.00 53.41 H new ATOM 1186 N GLN A 455 6.230 -7.199 5.574 1.00 13.41 N ATOM 1187 CA GLN A 455 5.797 -6.148 6.525 1.00 32.42 C ATOM 1188 C GLN A 455 6.781 -5.971 7.724 1.00 4.54 C ATOM 1189 O GLN A 455 6.820 -4.910 8.357 1.00 74.50 O ATOM 1190 CB GLN A 455 4.364 -6.495 7.021 1.00 20.24 C ATOM 1191 CG GLN A 455 3.656 -5.386 7.823 1.00 72.31 C ATOM 1192 CD GLN A 455 2.263 -5.778 8.337 1.00 62.40 C ATOM 1193 OE1 GLN A 455 1.391 -4.802 8.522 1.00 34.01 O flip ATOM 1194 NE2 GLN A 455 1.979 -6.945 8.593 1.00 51.23 N flip ATOM 0 H GLN A 455 5.571 -7.975 5.511 1.00 13.41 H new ATOM 0 HA GLN A 455 5.795 -5.190 6.004 1.00 32.42 H new ATOM 0 HB2 GLN A 455 3.749 -6.744 6.156 1.00 20.24 H new ATOM 0 HB3 GLN A 455 4.419 -7.390 7.641 1.00 20.24 H new ATOM 0 HG2 GLN A 455 4.281 -5.111 8.672 1.00 72.31 H new ATOM 0 HG3 GLN A 455 3.564 -4.500 7.195 1.00 72.31 H new ATOM 0 HE21 GLN A 455 2.668 -7.682 8.442 1.00 51.23 H new ATOM 0 HE22 GLN A 455 1.054 -7.177 8.956 1.00 51.23 H new ATOM 1203 N GLN A 456 7.590 -7.013 8.009 1.00 12.05 N ATOM 1204 CA GLN A 456 8.611 -6.981 9.086 1.00 32.11 C ATOM 1205 C GLN A 456 9.740 -5.951 8.793 1.00 50.13 C ATOM 1206 O GLN A 456 10.270 -5.331 9.714 1.00 31.23 O ATOM 1207 CB GLN A 456 9.221 -8.395 9.300 1.00 55.12 C ATOM 1208 CG GLN A 456 10.195 -8.496 10.499 1.00 10.25 C ATOM 1209 CD GLN A 456 10.775 -9.894 10.734 1.00 73.35 C ATOM 1210 OE1 GLN A 456 10.155 -10.908 10.423 1.00 14.20 O ATOM 1211 NE2 GLN A 456 11.965 -9.964 11.302 1.00 20.31 N ATOM 0 H GLN A 456 7.557 -7.898 7.503 1.00 12.05 H new ATOM 0 HA GLN A 456 8.105 -6.665 9.998 1.00 32.11 H new ATOM 0 HB2 GLN A 456 8.410 -9.109 9.445 1.00 55.12 H new ATOM 0 HB3 GLN A 456 9.748 -8.691 8.393 1.00 55.12 H new ATOM 0 HG2 GLN A 456 11.017 -7.798 10.342 1.00 10.25 H new ATOM 0 HG3 GLN A 456 9.674 -8.177 11.401 1.00 10.25 H new ATOM 0 HE21 GLN A 456 12.462 -9.109 11.552 1.00 20.31 H new ATOM 0 HE22 GLN A 456 12.387 -10.873 11.491 1.00 20.31 H new ATOM 1220 N LEU A 457 10.088 -5.764 7.501 1.00 60.21 N ATOM 1221 CA LEU A 457 11.132 -4.789 7.080 1.00 61.41 C ATOM 1222 C LEU A 457 10.665 -3.322 7.284 1.00 42.44 C ATOM 1223 O LEU A 457 11.491 -2.409 7.393 1.00 43.41 O ATOM 1224 CB LEU A 457 11.540 -5.028 5.599 1.00 75.41 C ATOM 1225 CG LEU A 457 12.182 -6.416 5.271 1.00 54.52 C ATOM 1226 CD1 LEU A 457 12.643 -6.484 3.795 1.00 61.23 C ATOM 1227 CD2 LEU A 457 13.342 -6.744 6.238 1.00 3.02 C ATOM 0 H LEU A 457 9.663 -6.274 6.726 1.00 60.21 H new ATOM 0 HA LEU A 457 12.003 -4.950 7.715 1.00 61.41 H new ATOM 0 HB2 LEU A 457 10.654 -4.906 4.976 1.00 75.41 H new ATOM 0 HB3 LEU A 457 12.244 -4.248 5.308 1.00 75.41 H new ATOM 0 HG LEU A 457 11.414 -7.176 5.413 1.00 54.52 H new ATOM 0 HD11 LEU A 457 13.085 -7.460 3.597 1.00 61.23 H new ATOM 0 HD12 LEU A 457 11.786 -6.334 3.139 1.00 61.23 H new ATOM 0 HD13 LEU A 457 13.383 -5.706 3.609 1.00 61.23 H new ATOM 0 HD21 LEU A 457 13.766 -7.715 5.982 1.00 3.02 H new ATOM 0 HD22 LEU A 457 14.113 -5.978 6.154 1.00 3.02 H new ATOM 0 HD23 LEU A 457 12.967 -6.770 7.261 1.00 3.02 H new ATOM 1239 N LEU A 458 9.335 -3.119 7.347 1.00 33.45 N ATOM 1240 CA LEU A 458 8.724 -1.788 7.586 1.00 4.03 C ATOM 1241 C LEU A 458 8.918 -1.281 9.037 1.00 3.15 C ATOM 1242 O LEU A 458 8.865 -0.073 9.283 1.00 63.05 O ATOM 1243 CB LEU A 458 7.217 -1.822 7.255 1.00 73.32 C ATOM 1244 CG LEU A 458 6.833 -2.186 5.791 1.00 74.24 C ATOM 1245 CD1 LEU A 458 5.325 -1.985 5.577 1.00 13.21 C ATOM 1246 CD2 LEU A 458 7.663 -1.383 4.762 1.00 1.22 C ATOM 0 H LEU A 458 8.652 -3.868 7.235 1.00 33.45 H new ATOM 0 HA LEU A 458 9.241 -1.092 6.926 1.00 4.03 H new ATOM 0 HB2 LEU A 458 6.738 -2.539 7.921 1.00 73.32 H new ATOM 0 HB3 LEU A 458 6.796 -0.843 7.484 1.00 73.32 H new ATOM 0 HG LEU A 458 7.069 -3.238 5.629 1.00 74.24 H new ATOM 0 HD11 LEU A 458 5.066 -2.242 4.550 1.00 13.21 H new ATOM 0 HD12 LEU A 458 4.772 -2.627 6.262 1.00 13.21 H new ATOM 0 HD13 LEU A 458 5.066 -0.943 5.767 1.00 13.21 H new ATOM 0 HD21 LEU A 458 7.364 -1.667 3.753 1.00 1.22 H new ATOM 0 HD22 LEU A 458 7.488 -0.317 4.906 1.00 1.22 H new ATOM 0 HD23 LEU A 458 8.722 -1.599 4.901 1.00 1.22 H new ATOM 1258 N THR A 459 9.133 -2.211 9.992 1.00 22.22 N ATOM 1259 CA THR A 459 9.382 -1.854 11.420 1.00 52.33 C ATOM 1260 C THR A 459 10.711 -1.070 11.587 1.00 71.22 C ATOM 1261 O THR A 459 10.913 -0.376 12.588 1.00 35.33 O ATOM 1262 CB THR A 459 9.416 -3.120 12.337 1.00 44.15 C ATOM 1263 OG1 THR A 459 10.569 -3.931 12.023 1.00 2.55 O ATOM 1264 CG2 THR A 459 8.126 -3.963 12.200 1.00 54.41 C ATOM 0 H THR A 459 9.141 -3.214 9.808 1.00 22.22 H new ATOM 0 HA THR A 459 8.551 -1.219 11.727 1.00 52.33 H new ATOM 0 HB THR A 459 9.482 -2.777 13.369 1.00 44.15 H new ATOM 0 HG1 THR A 459 10.359 -4.521 11.269 1.00 2.55 H new ATOM 0 HG21 THR A 459 8.189 -4.833 12.853 1.00 54.41 H new ATOM 0 HG22 THR A 459 7.264 -3.358 12.483 1.00 54.41 H new ATOM 0 HG23 THR A 459 8.014 -4.292 11.167 1.00 54.41 H new ATOM 1272 N THR A 460 11.608 -1.204 10.588 1.00 63.00 N ATOM 1273 CA THR A 460 12.855 -0.412 10.479 1.00 20.52 C ATOM 1274 C THR A 460 12.542 1.084 10.203 1.00 63.21 C ATOM 1275 O THR A 460 13.235 1.981 10.685 1.00 21.40 O ATOM 1276 CB THR A 460 13.765 -0.977 9.326 1.00 45.14 C ATOM 1277 OG1 THR A 460 13.952 -2.394 9.505 1.00 0.21 O ATOM 1278 CG2 THR A 460 15.146 -0.293 9.267 1.00 23.32 C ATOM 0 H THR A 460 11.487 -1.871 9.826 1.00 63.00 H new ATOM 0 HA THR A 460 13.383 -0.491 11.429 1.00 20.52 H new ATOM 0 HB THR A 460 13.252 -0.769 8.387 1.00 45.14 H new ATOM 0 HG1 THR A 460 14.517 -2.743 8.785 1.00 0.21 H new ATOM 0 HG21 THR A 460 15.730 -0.723 8.453 1.00 23.32 H new ATOM 0 HG22 THR A 460 15.016 0.775 9.095 1.00 23.32 H new ATOM 0 HG23 THR A 460 15.669 -0.448 10.211 1.00 23.32 H new ATOM 1286 N LEU A 461 11.465 1.333 9.431 1.00 21.42 N ATOM 1287 CA LEU A 461 11.050 2.700 9.011 1.00 10.32 C ATOM 1288 C LEU A 461 9.931 3.265 9.922 1.00 33.43 C ATOM 1289 O LEU A 461 9.165 4.126 9.486 1.00 15.31 O ATOM 1290 CB LEU A 461 10.570 2.677 7.529 1.00 22.32 C ATOM 1291 CG LEU A 461 11.522 1.992 6.497 1.00 1.11 C ATOM 1292 CD1 LEU A 461 10.964 2.100 5.059 1.00 72.00 C ATOM 1293 CD2 LEU A 461 12.956 2.555 6.585 1.00 34.54 C ATOM 0 H LEU A 461 10.854 0.597 9.078 1.00 21.42 H new ATOM 0 HA LEU A 461 11.916 3.355 9.105 1.00 10.32 H new ATOM 0 HB2 LEU A 461 9.605 2.171 7.491 1.00 22.32 H new ATOM 0 HB3 LEU A 461 10.403 3.705 7.209 1.00 22.32 H new ATOM 0 HG LEU A 461 11.572 0.934 6.754 1.00 1.11 H new ATOM 0 HD11 LEU A 461 11.650 1.614 4.365 1.00 72.00 H new ATOM 0 HD12 LEU A 461 9.991 1.612 5.009 1.00 72.00 H new ATOM 0 HD13 LEU A 461 10.858 3.150 4.788 1.00 72.00 H new ATOM 0 HD21 LEU A 461 13.589 2.054 5.852 1.00 34.54 H new ATOM 0 HD22 LEU A 461 12.940 3.625 6.380 1.00 34.54 H new ATOM 0 HD23 LEU A 461 13.353 2.383 7.585 1.00 34.54 H new ATOM 1305 N GLY A 462 9.893 2.808 11.194 1.00 54.50 N ATOM 1306 CA GLY A 462 8.906 3.262 12.200 1.00 34.13 C ATOM 1307 C GLY A 462 8.679 4.793 12.256 1.00 51.32 C ATOM 1308 O GLY A 462 7.525 5.225 12.171 1.00 23.44 O ATOM 0 H GLY A 462 10.547 2.113 11.553 1.00 54.50 H new ATOM 0 HA2 GLY A 462 7.952 2.777 11.995 1.00 34.13 H new ATOM 0 HA3 GLY A 462 9.231 2.923 13.184 1.00 34.13 H new ATOM 1312 N PRO A 463 9.757 5.654 12.376 1.00 41.21 N ATOM 1313 CA PRO A 463 9.620 7.141 12.322 1.00 44.34 C ATOM 1314 C PRO A 463 8.975 7.642 11.002 1.00 53.25 C ATOM 1315 O PRO A 463 8.148 8.552 11.025 1.00 21.04 O ATOM 1316 CB PRO A 463 11.087 7.651 12.467 1.00 3.41 C ATOM 1317 CG PRO A 463 11.934 6.469 12.100 1.00 3.32 C ATOM 1318 CD PRO A 463 11.176 5.268 12.612 1.00 33.13 C ATOM 0 HA PRO A 463 8.954 7.514 13.101 1.00 44.34 H new ATOM 0 HB2 PRO A 463 11.280 8.497 11.808 1.00 3.41 H new ATOM 0 HB3 PRO A 463 11.292 7.986 13.484 1.00 3.41 H new ATOM 0 HG2 PRO A 463 12.083 6.411 11.022 1.00 3.32 H new ATOM 0 HG3 PRO A 463 12.922 6.535 12.556 1.00 3.32 H new ATOM 0 HD2 PRO A 463 11.444 4.360 12.073 1.00 33.13 H new ATOM 0 HD3 PRO A 463 11.375 5.083 13.667 1.00 33.13 H new ATOM 1326 N LEU A 464 9.346 7.012 9.864 1.00 51.32 N ATOM 1327 CA LEU A 464 8.836 7.377 8.518 1.00 34.45 C ATOM 1328 C LEU A 464 7.309 7.116 8.372 1.00 42.11 C ATOM 1329 O LEU A 464 6.635 7.805 7.603 1.00 4.02 O ATOM 1330 CB LEU A 464 9.646 6.636 7.419 1.00 60.44 C ATOM 1331 CG LEU A 464 11.153 7.048 7.305 1.00 75.55 C ATOM 1332 CD1 LEU A 464 11.912 6.164 6.292 1.00 73.33 C ATOM 1333 CD2 LEU A 464 11.293 8.548 6.947 1.00 14.33 C ATOM 0 H LEU A 464 10.008 6.236 9.851 1.00 51.32 H new ATOM 0 HA LEU A 464 8.976 8.450 8.391 1.00 34.45 H new ATOM 0 HB2 LEU A 464 9.593 5.565 7.612 1.00 60.44 H new ATOM 0 HB3 LEU A 464 9.165 6.811 6.457 1.00 60.44 H new ATOM 0 HG LEU A 464 11.609 6.888 8.282 1.00 75.55 H new ATOM 0 HD11 LEU A 464 12.954 6.481 6.241 1.00 73.33 H new ATOM 0 HD12 LEU A 464 11.865 5.123 6.611 1.00 73.33 H new ATOM 0 HD13 LEU A 464 11.454 6.263 5.308 1.00 73.33 H new ATOM 0 HD21 LEU A 464 12.349 8.808 6.874 1.00 14.33 H new ATOM 0 HD22 LEU A 464 10.805 8.741 5.992 1.00 14.33 H new ATOM 0 HD23 LEU A 464 10.824 9.153 7.723 1.00 14.33 H new ATOM 1345 N PHE A 465 6.782 6.126 9.119 1.00 73.41 N ATOM 1346 CA PHE A 465 5.321 5.841 9.191 1.00 72.13 C ATOM 1347 C PHE A 465 4.595 6.765 10.201 1.00 60.33 C ATOM 1348 O PHE A 465 3.399 7.045 10.044 1.00 71.22 O ATOM 1349 CB PHE A 465 5.085 4.355 9.550 1.00 12.42 C ATOM 1350 CG PHE A 465 5.484 3.396 8.434 1.00 22.40 C ATOM 1351 CD1 PHE A 465 4.689 3.272 7.301 1.00 11.35 C ATOM 1352 CD2 PHE A 465 6.634 2.624 8.509 1.00 70.31 C ATOM 1353 CE1 PHE A 465 5.036 2.420 6.283 1.00 63.44 C ATOM 1354 CE2 PHE A 465 6.981 1.773 7.483 1.00 52.11 C ATOM 1355 CZ PHE A 465 6.174 1.667 6.377 1.00 35.33 C ATOM 0 H PHE A 465 7.348 5.499 9.690 1.00 73.41 H new ATOM 0 HA PHE A 465 4.898 6.045 8.207 1.00 72.13 H new ATOM 0 HB2 PHE A 465 5.651 4.111 10.449 1.00 12.42 H new ATOM 0 HB3 PHE A 465 4.031 4.208 9.787 1.00 12.42 H new ATOM 0 HD1 PHE A 465 3.784 3.855 7.220 1.00 11.35 H new ATOM 0 HD2 PHE A 465 7.265 2.691 9.383 1.00 70.31 H new ATOM 0 HE1 PHE A 465 4.410 2.344 5.406 1.00 63.44 H new ATOM 0 HE2 PHE A 465 7.887 1.189 7.548 1.00 52.11 H new ATOM 0 HZ PHE A 465 6.438 0.988 5.580 1.00 35.33 H new ATOM 1365 N ARG A 466 5.312 7.219 11.248 1.00 31.40 N ATOM 1366 CA ARG A 466 4.789 8.253 12.181 1.00 70.13 C ATOM 1367 C ARG A 466 4.729 9.638 11.481 1.00 55.42 C ATOM 1368 O ARG A 466 3.955 10.520 11.873 1.00 21.11 O ATOM 1369 CB ARG A 466 5.660 8.325 13.465 1.00 1.44 C ATOM 1370 CG ARG A 466 5.784 6.990 14.242 1.00 23.21 C ATOM 1371 CD ARG A 466 4.423 6.393 14.642 1.00 41.40 C ATOM 1372 NE ARG A 466 4.563 5.076 15.294 1.00 5.33 N ATOM 1373 CZ ARG A 466 3.599 4.196 15.456 1.00 51.11 C ATOM 1374 NH1 ARG A 466 2.405 4.402 14.982 1.00 4.34 N ATOM 1375 NH2 ARG A 466 3.849 3.083 16.062 1.00 32.41 N ATOM 0 H ARG A 466 6.251 6.892 11.473 1.00 31.40 H new ATOM 0 HA ARG A 466 3.777 7.971 12.472 1.00 70.13 H new ATOM 0 HB2 ARG A 466 6.659 8.664 13.191 1.00 1.44 H new ATOM 0 HB3 ARG A 466 5.239 9.079 14.131 1.00 1.44 H new ATOM 0 HG2 ARG A 466 6.324 6.269 13.628 1.00 23.21 H new ATOM 0 HG3 ARG A 466 6.380 7.154 15.140 1.00 23.21 H new ATOM 0 HD2 ARG A 466 3.912 7.079 15.318 1.00 41.40 H new ATOM 0 HD3 ARG A 466 3.797 6.293 13.755 1.00 41.40 H new ATOM 0 HE ARG A 466 5.486 4.827 15.649 1.00 5.33 H new ATOM 0 HH11 ARG A 466 2.200 5.261 14.472 1.00 4.34 H new ATOM 0 HH12 ARG A 466 1.674 3.704 15.121 1.00 4.34 H new ATOM 0 HH21 ARG A 466 4.788 2.892 16.411 1.00 32.41 H new ATOM 0 HH22 ARG A 466 3.107 2.395 16.192 1.00 32.41 H new ATOM 1389 N ASN A 467 5.554 9.795 10.427 1.00 32.15 N ATOM 1390 CA ASN A 467 5.560 10.978 9.537 1.00 11.31 C ATOM 1391 C ASN A 467 4.590 10.787 8.332 1.00 22.12 C ATOM 1392 O ASN A 467 4.745 11.424 7.283 1.00 52.30 O ATOM 1393 CB ASN A 467 7.008 11.221 9.037 1.00 3.25 C ATOM 1394 CG ASN A 467 8.037 11.506 10.140 1.00 65.34 C ATOM 1395 OD1 ASN A 467 9.207 11.150 10.020 1.00 71.51 O ATOM 1396 ND2 ASN A 467 7.639 12.176 11.208 1.00 50.21 N ATOM 0 H ASN A 467 6.247 9.094 10.164 1.00 32.15 H new ATOM 0 HA ASN A 467 5.212 11.846 10.098 1.00 11.31 H new ATOM 0 HB2 ASN A 467 7.334 10.346 8.475 1.00 3.25 H new ATOM 0 HB3 ASN A 467 7.000 12.061 8.343 1.00 3.25 H new ATOM 0 HD21 ASN A 467 8.306 12.404 11.945 1.00 50.21 H new ATOM 0 HD22 ASN A 467 6.665 12.465 11.295 1.00 50.21 H new ATOM 1403 N SER A 468 3.570 9.922 8.509 1.00 22.44 N ATOM 1404 CA SER A 468 2.551 9.613 7.473 1.00 11.43 C ATOM 1405 C SER A 468 1.120 9.754 8.042 1.00 34.43 C ATOM 1406 O SER A 468 0.927 9.740 9.262 1.00 0.43 O ATOM 1407 CB SER A 468 2.748 8.165 6.952 1.00 34.02 C ATOM 1408 OG SER A 468 4.039 7.969 6.410 1.00 14.11 O ATOM 0 H SER A 468 3.425 9.412 9.380 1.00 22.44 H new ATOM 0 HA SER A 468 2.677 10.323 6.656 1.00 11.43 H new ATOM 0 HB2 SER A 468 2.587 7.461 7.768 1.00 34.02 H new ATOM 0 HB3 SER A 468 1.998 7.948 6.191 1.00 34.02 H new ATOM 0 HG SER A 468 4.701 7.971 7.133 1.00 14.11 H new ATOM 1414 N ARG A 469 0.116 9.896 7.150 1.00 62.53 N ATOM 1415 CA ARG A 469 -1.329 9.863 7.542 1.00 63.25 C ATOM 1416 C ARG A 469 -2.033 8.590 7.010 1.00 25.25 C ATOM 1417 O ARG A 469 -1.783 8.162 5.887 1.00 43.14 O ATOM 1418 CB ARG A 469 -2.081 11.135 7.048 1.00 62.44 C ATOM 1419 CG ARG A 469 -2.105 11.367 5.516 1.00 25.53 C ATOM 1420 CD ARG A 469 -2.985 12.579 5.120 1.00 41.23 C ATOM 1421 NE ARG A 469 -2.542 13.824 5.783 1.00 2.41 N ATOM 1422 CZ ARG A 469 -3.309 14.837 6.136 1.00 44.53 C ATOM 1423 NH1 ARG A 469 -4.599 14.810 5.965 1.00 72.02 N ATOM 1424 NH2 ARG A 469 -2.767 15.880 6.676 1.00 15.52 N ATOM 0 H ARG A 469 0.269 10.035 6.151 1.00 62.53 H new ATOM 0 HA ARG A 469 -1.362 9.843 8.631 1.00 63.25 H new ATOM 0 HB2 ARG A 469 -3.111 11.083 7.402 1.00 62.44 H new ATOM 0 HB3 ARG A 469 -1.626 12.006 7.519 1.00 62.44 H new ATOM 0 HG2 ARG A 469 -1.088 11.527 5.159 1.00 25.53 H new ATOM 0 HG3 ARG A 469 -2.480 10.471 5.021 1.00 25.53 H new ATOM 0 HD2 ARG A 469 -2.953 12.713 4.039 1.00 41.23 H new ATOM 0 HD3 ARG A 469 -4.023 12.376 5.385 1.00 41.23 H new ATOM 0 HE ARG A 469 -1.546 13.908 5.987 1.00 2.41 H new ATOM 0 HH11 ARG A 469 -5.041 13.991 5.548 1.00 72.02 H new ATOM 0 HH12 ARG A 469 -5.168 15.608 6.248 1.00 72.02 H new ATOM 0 HH21 ARG A 469 -1.758 15.912 6.824 1.00 15.52 H new ATOM 0 HH22 ARG A 469 -3.348 16.671 6.954 1.00 15.52 H new ATOM 1438 N MET A 470 -2.925 7.991 7.821 1.00 53.41 N ATOM 1439 CA MET A 470 -3.720 6.810 7.401 1.00 22.14 C ATOM 1440 C MET A 470 -4.980 7.228 6.629 1.00 55.24 C ATOM 1441 O MET A 470 -5.796 8.015 7.112 1.00 12.12 O ATOM 1442 CB MET A 470 -4.115 5.918 8.623 1.00 10.52 C ATOM 1443 CG MET A 470 -3.089 4.847 8.970 1.00 41.54 C ATOM 1444 SD MET A 470 -3.440 4.008 10.532 1.00 11.04 S ATOM 1445 CE MET A 470 -2.056 2.870 10.650 1.00 44.32 C ATOM 0 H MET A 470 -3.117 8.302 8.773 1.00 53.41 H new ATOM 0 HA MET A 470 -3.085 6.223 6.738 1.00 22.14 H new ATOM 0 HB2 MET A 470 -4.264 6.558 9.493 1.00 10.52 H new ATOM 0 HB3 MET A 470 -5.070 5.436 8.414 1.00 10.52 H new ATOM 0 HG2 MET A 470 -3.057 4.110 8.168 1.00 41.54 H new ATOM 0 HG3 MET A 470 -2.100 5.303 9.024 1.00 41.54 H new ATOM 0 HE1 MET A 470 -2.142 2.286 11.567 1.00 44.32 H new ATOM 0 HE2 MET A 470 -2.062 2.199 9.791 1.00 44.32 H new ATOM 0 HE3 MET A 470 -1.123 3.433 10.664 1.00 44.32 H new ATOM 1455 N VAL A 471 -5.099 6.695 5.417 1.00 61.41 N ATOM 1456 CA VAL A 471 -6.331 6.752 4.600 1.00 75.42 C ATOM 1457 C VAL A 471 -6.856 5.312 4.392 1.00 22.31 C ATOM 1458 O VAL A 471 -6.136 4.341 4.639 1.00 73.32 O ATOM 1459 CB VAL A 471 -6.091 7.478 3.218 1.00 31.25 C ATOM 1460 CG1 VAL A 471 -5.562 8.921 3.436 1.00 40.25 C ATOM 1461 CG2 VAL A 471 -5.146 6.670 2.288 1.00 30.01 C ATOM 0 H VAL A 471 -4.335 6.200 4.957 1.00 61.41 H new ATOM 0 HA VAL A 471 -7.079 7.343 5.130 1.00 75.42 H new ATOM 0 HB VAL A 471 -7.056 7.539 2.714 1.00 31.25 H new ATOM 0 HG11 VAL A 471 -5.404 9.401 2.470 1.00 40.25 H new ATOM 0 HG12 VAL A 471 -6.291 9.493 4.010 1.00 40.25 H new ATOM 0 HG13 VAL A 471 -4.619 8.884 3.981 1.00 40.25 H new ATOM 0 HG21 VAL A 471 -5.011 7.209 1.350 1.00 30.01 H new ATOM 0 HG22 VAL A 471 -4.179 6.541 2.775 1.00 30.01 H new ATOM 0 HG23 VAL A 471 -5.584 5.692 2.085 1.00 30.01 H new ATOM 1471 N GLN A 472 -8.108 5.166 3.957 1.00 22.34 N ATOM 1472 CA GLN A 472 -8.757 3.840 3.827 1.00 61.43 C ATOM 1473 C GLN A 472 -8.922 3.430 2.347 1.00 25.11 C ATOM 1474 O GLN A 472 -9.601 4.107 1.586 1.00 14.41 O ATOM 1475 CB GLN A 472 -10.128 3.859 4.558 1.00 51.42 C ATOM 1476 CG GLN A 472 -10.969 2.571 4.401 1.00 13.53 C ATOM 1477 CD GLN A 472 -12.228 2.548 5.272 1.00 74.03 C ATOM 1478 OE1 GLN A 472 -12.768 3.584 5.645 1.00 53.50 O ATOM 1479 NE2 GLN A 472 -12.733 1.366 5.567 1.00 24.42 N ATOM 0 H GLN A 472 -8.704 5.948 3.685 1.00 22.34 H new ATOM 0 HA GLN A 472 -8.115 3.093 4.293 1.00 61.43 H new ATOM 0 HB2 GLN A 472 -9.955 4.035 5.620 1.00 51.42 H new ATOM 0 HB3 GLN A 472 -10.710 4.703 4.186 1.00 51.42 H new ATOM 0 HG2 GLN A 472 -11.259 2.462 3.356 1.00 13.53 H new ATOM 0 HG3 GLN A 472 -10.349 1.710 4.651 1.00 13.53 H new ATOM 0 HE21 GLN A 472 -12.267 0.518 5.246 1.00 24.42 H new ATOM 0 HE22 GLN A 472 -13.590 1.300 6.116 1.00 24.42 H new ATOM 1488 N PHE A 473 -8.283 2.324 1.948 1.00 53.10 N ATOM 1489 CA PHE A 473 -8.521 1.689 0.639 1.00 3.51 C ATOM 1490 C PHE A 473 -9.682 0.676 0.761 1.00 1.10 C ATOM 1491 O PHE A 473 -9.547 -0.391 1.366 1.00 11.11 O ATOM 1492 CB PHE A 473 -7.232 0.996 0.119 1.00 1.31 C ATOM 1493 CG PHE A 473 -6.154 1.963 -0.379 1.00 72.40 C ATOM 1494 CD1 PHE A 473 -5.494 2.822 0.502 1.00 54.13 C ATOM 1495 CD2 PHE A 473 -5.805 2.015 -1.732 1.00 21.23 C ATOM 1496 CE1 PHE A 473 -4.520 3.692 0.049 1.00 13.51 C ATOM 1497 CE2 PHE A 473 -4.831 2.886 -2.182 1.00 5.12 C ATOM 1498 CZ PHE A 473 -4.193 3.726 -1.292 1.00 51.32 C ATOM 0 H PHE A 473 -7.588 1.843 2.519 1.00 53.10 H new ATOM 0 HA PHE A 473 -8.796 2.457 -0.084 1.00 3.51 H new ATOM 0 HB2 PHE A 473 -6.814 0.385 0.919 1.00 1.31 H new ATOM 0 HB3 PHE A 473 -7.499 0.319 -0.692 1.00 1.31 H new ATOM 0 HD1 PHE A 473 -5.748 2.806 1.552 1.00 54.13 H new ATOM 0 HD2 PHE A 473 -6.304 1.365 -2.436 1.00 21.23 H new ATOM 0 HE1 PHE A 473 -4.014 4.346 0.744 1.00 13.51 H new ATOM 0 HE2 PHE A 473 -4.569 2.909 -3.230 1.00 5.12 H new ATOM 0 HZ PHE A 473 -3.437 4.411 -1.645 1.00 51.32 H new ATOM 1508 N HIS A 474 -10.826 1.056 0.191 1.00 74.22 N ATOM 1509 CA HIS A 474 -12.034 0.229 0.107 1.00 73.42 C ATOM 1510 C HIS A 474 -12.150 -0.372 -1.309 1.00 23.10 C ATOM 1511 O HIS A 474 -12.463 0.337 -2.275 1.00 54.11 O ATOM 1512 CB HIS A 474 -13.270 1.102 0.444 1.00 24.02 C ATOM 1513 CG HIS A 474 -14.598 0.384 0.402 1.00 34.42 C ATOM 1514 ND1 HIS A 474 -15.077 -0.288 1.496 1.00 54.10 N ATOM 1515 CD2 HIS A 474 -15.507 0.289 -0.602 1.00 32.24 C ATOM 1516 CE1 HIS A 474 -16.251 -0.767 1.144 1.00 32.11 C ATOM 1517 NE2 HIS A 474 -16.557 -0.447 -0.118 1.00 31.14 N ATOM 0 H HIS A 474 -10.943 1.974 -0.238 1.00 74.22 H new ATOM 0 HA HIS A 474 -11.980 -0.591 0.823 1.00 73.42 H new ATOM 0 HB2 HIS A 474 -13.135 1.524 1.440 1.00 24.02 H new ATOM 0 HB3 HIS A 474 -13.305 1.938 -0.255 1.00 24.02 H new ATOM 0 HD2 HIS A 474 -15.420 0.712 -1.592 1.00 32.24 H new ATOM 0 HE1 HIS A 474 -16.889 -1.347 1.794 1.00 32.11 H new ATOM 0 HE2 HIS A 474 -17.406 -0.701 -0.622 1.00 31.14 H new ATOM 1525 N PHE A 475 -11.847 -1.668 -1.431 1.00 44.41 N ATOM 1526 CA PHE A 475 -12.045 -2.420 -2.683 1.00 34.10 C ATOM 1527 C PHE A 475 -13.547 -2.763 -2.850 1.00 71.03 C ATOM 1528 O PHE A 475 -14.179 -3.281 -1.917 1.00 65.41 O ATOM 1529 CB PHE A 475 -11.172 -3.699 -2.691 1.00 1.02 C ATOM 1530 CG PHE A 475 -9.665 -3.429 -2.660 1.00 33.42 C ATOM 1531 CD1 PHE A 475 -9.007 -3.157 -1.461 1.00 72.04 C ATOM 1532 CD2 PHE A 475 -8.910 -3.450 -3.831 1.00 43.02 C ATOM 1533 CE1 PHE A 475 -7.648 -2.918 -1.436 1.00 33.32 C ATOM 1534 CE2 PHE A 475 -7.550 -3.213 -3.804 1.00 31.41 C ATOM 1535 CZ PHE A 475 -6.921 -2.945 -2.605 1.00 44.23 C ATOM 0 H PHE A 475 -11.459 -2.227 -0.671 1.00 44.41 H new ATOM 0 HA PHE A 475 -11.734 -1.804 -3.527 1.00 34.10 H new ATOM 0 HB2 PHE A 475 -11.438 -4.313 -1.830 1.00 1.02 H new ATOM 0 HB3 PHE A 475 -11.408 -4.281 -3.582 1.00 1.02 H new ATOM 0 HD1 PHE A 475 -9.569 -3.133 -0.539 1.00 72.04 H new ATOM 0 HD2 PHE A 475 -9.396 -3.655 -4.774 1.00 43.02 H new ATOM 0 HE1 PHE A 475 -7.154 -2.710 -0.498 1.00 33.32 H new ATOM 0 HE2 PHE A 475 -6.979 -3.237 -4.720 1.00 31.41 H new ATOM 0 HZ PHE A 475 -5.858 -2.756 -2.584 1.00 44.23 H new ATOM 1545 N THR A 476 -14.105 -2.461 -4.035 1.00 14.21 N ATOM 1546 CA THR A 476 -15.559 -2.586 -4.303 1.00 12.54 C ATOM 1547 C THR A 476 -16.006 -4.066 -4.340 1.00 1.45 C ATOM 1548 O THR A 476 -15.340 -4.881 -4.983 1.00 65.24 O ATOM 1549 CB THR A 476 -15.949 -1.889 -5.652 1.00 73.40 C ATOM 1550 OG1 THR A 476 -15.339 -2.553 -6.781 1.00 3.14 O ATOM 1551 CG2 THR A 476 -15.519 -0.415 -5.657 1.00 72.53 C ATOM 0 H THR A 476 -13.569 -2.124 -4.835 1.00 14.21 H new ATOM 0 HA THR A 476 -16.074 -2.087 -3.482 1.00 12.54 H new ATOM 0 HB THR A 476 -17.034 -1.953 -5.739 1.00 73.40 H new ATOM 0 HG1 THR A 476 -15.184 -3.495 -6.562 1.00 3.14 H new ATOM 0 HG21 THR A 476 -15.802 0.043 -6.605 1.00 72.53 H new ATOM 0 HG22 THR A 476 -16.011 0.110 -4.838 1.00 72.53 H new ATOM 0 HG23 THR A 476 -14.438 -0.351 -5.532 1.00 72.53 H new ATOM 1559 N ASN A 477 -17.131 -4.369 -3.642 1.00 72.04 N ATOM 1560 CA ASN A 477 -17.710 -5.733 -3.494 1.00 63.12 C ATOM 1561 C ASN A 477 -16.831 -6.627 -2.559 1.00 61.02 C ATOM 1562 O ASN A 477 -16.016 -7.407 -3.043 1.00 11.52 O ATOM 1563 CB ASN A 477 -17.965 -6.411 -4.888 1.00 40.21 C ATOM 1564 CG ASN A 477 -18.766 -7.711 -4.815 1.00 42.01 C ATOM 1565 OD1 ASN A 477 -19.645 -7.866 -3.982 1.00 62.04 O ATOM 1566 ND2 ASN A 477 -18.466 -8.657 -5.683 1.00 50.54 N ATOM 0 H ASN A 477 -17.674 -3.656 -3.155 1.00 72.04 H new ATOM 0 HA ASN A 477 -18.683 -5.625 -3.014 1.00 63.12 H new ATOM 0 HB2 ASN A 477 -18.494 -5.707 -5.531 1.00 40.21 H new ATOM 0 HB3 ASN A 477 -17.005 -6.615 -5.361 1.00 40.21 H new ATOM 0 HD21 ASN A 477 -18.973 -9.542 -5.668 1.00 50.54 H new ATOM 0 HD22 ASN A 477 -17.727 -8.504 -6.370 1.00 50.54 H new ATOM 1573 N LYS A 478 -17.044 -6.443 -1.221 1.00 30.42 N ATOM 1574 CA LYS A 478 -16.338 -7.107 -0.055 1.00 34.24 C ATOM 1575 C LYS A 478 -15.040 -7.922 -0.369 1.00 51.20 C ATOM 1576 O LYS A 478 -13.956 -7.545 0.089 1.00 64.12 O ATOM 1577 CB LYS A 478 -17.333 -7.938 0.833 1.00 64.24 C ATOM 1578 CG LYS A 478 -18.119 -9.082 0.135 1.00 30.40 C ATOM 1579 CD LYS A 478 -19.352 -8.591 -0.664 1.00 31.23 C ATOM 1580 CE LYS A 478 -20.111 -9.736 -1.357 1.00 30.52 C ATOM 1581 NZ LYS A 478 -21.317 -9.248 -2.086 1.00 35.50 N ATOM 0 H LYS A 478 -17.756 -5.788 -0.896 1.00 30.42 H new ATOM 0 HA LYS A 478 -15.962 -6.253 0.509 1.00 34.24 H new ATOM 0 HB2 LYS A 478 -16.769 -8.371 1.659 1.00 64.24 H new ATOM 0 HB3 LYS A 478 -18.056 -7.248 1.268 1.00 64.24 H new ATOM 0 HG2 LYS A 478 -17.448 -9.613 -0.540 1.00 30.40 H new ATOM 0 HG3 LYS A 478 -18.447 -9.798 0.888 1.00 30.40 H new ATOM 0 HD2 LYS A 478 -20.030 -8.068 0.010 1.00 31.23 H new ATOM 0 HD3 LYS A 478 -19.029 -7.870 -1.414 1.00 31.23 H new ATOM 0 HE2 LYS A 478 -19.445 -10.241 -2.056 1.00 30.52 H new ATOM 0 HE3 LYS A 478 -20.411 -10.474 -0.613 1.00 30.52 H new ATOM 0 HZ1 LYS A 478 -21.854 -10.060 -2.452 1.00 35.50 H new ATOM 0 HZ2 LYS A 478 -21.917 -8.700 -1.437 1.00 35.50 H new ATOM 0 HZ3 LYS A 478 -21.022 -8.643 -2.879 1.00 35.50 H new ATOM 1595 N ASP A 479 -15.156 -9.035 -1.128 1.00 42.32 N ATOM 1596 CA ASP A 479 -14.009 -9.889 -1.485 1.00 24.20 C ATOM 1597 C ASP A 479 -14.313 -10.727 -2.746 1.00 20.14 C ATOM 1598 O ASP A 479 -15.106 -11.677 -2.729 1.00 4.42 O ATOM 1599 CB ASP A 479 -13.526 -10.766 -0.291 1.00 75.13 C ATOM 1600 CG ASP A 479 -14.610 -11.626 0.369 1.00 10.02 C ATOM 1601 OD1 ASP A 479 -15.450 -11.079 1.112 1.00 71.11 O ATOM 1602 OD2 ASP A 479 -14.621 -12.856 0.154 1.00 12.11 O ATOM 0 H ASP A 479 -16.045 -9.362 -1.507 1.00 42.32 H new ATOM 0 HA ASP A 479 -13.175 -9.229 -1.726 1.00 24.20 H new ATOM 0 HB2 ASP A 479 -12.729 -11.421 -0.642 1.00 75.13 H new ATOM 0 HB3 ASP A 479 -13.092 -10.113 0.466 1.00 75.13 H new ATOM 1607 N LEU A 480 -13.686 -10.318 -3.853 1.00 40.05 N ATOM 1608 CA LEU A 480 -13.822 -10.957 -5.180 1.00 60.42 C ATOM 1609 C LEU A 480 -12.761 -12.074 -5.345 1.00 53.22 C ATOM 1610 O LEU A 480 -11.912 -12.225 -4.478 1.00 2.31 O ATOM 1611 CB LEU A 480 -13.678 -9.871 -6.282 1.00 22.10 C ATOM 1612 CG LEU A 480 -14.434 -8.517 -6.002 1.00 0.13 C ATOM 1613 CD1 LEU A 480 -13.516 -7.487 -5.302 1.00 1.14 C ATOM 1614 CD2 LEU A 480 -15.073 -7.934 -7.271 1.00 75.13 C ATOM 0 H LEU A 480 -13.055 -9.517 -3.859 1.00 40.05 H new ATOM 0 HA LEU A 480 -14.804 -11.420 -5.272 1.00 60.42 H new ATOM 0 HB2 LEU A 480 -12.618 -9.654 -6.418 1.00 22.10 H new ATOM 0 HB3 LEU A 480 -14.042 -10.283 -7.223 1.00 22.10 H new ATOM 0 HG LEU A 480 -15.250 -8.748 -5.317 1.00 0.13 H new ATOM 0 HD11 LEU A 480 -14.071 -6.566 -5.125 1.00 1.14 H new ATOM 0 HD12 LEU A 480 -13.173 -7.893 -4.350 1.00 1.14 H new ATOM 0 HD13 LEU A 480 -12.656 -7.276 -5.937 1.00 1.14 H new ATOM 0 HD21 LEU A 480 -15.582 -7.002 -7.027 1.00 75.13 H new ATOM 0 HD22 LEU A 480 -14.298 -7.741 -8.013 1.00 75.13 H new ATOM 0 HD23 LEU A 480 -15.793 -8.645 -7.675 1.00 75.13 H new ATOM 1626 N GLU A 481 -12.788 -12.818 -6.468 1.00 44.34 N ATOM 1627 CA GLU A 481 -11.878 -13.985 -6.703 1.00 62.02 C ATOM 1628 C GLU A 481 -10.368 -13.654 -6.470 1.00 5.24 C ATOM 1629 O GLU A 481 -9.660 -14.401 -5.789 1.00 42.15 O ATOM 1630 CB GLU A 481 -12.093 -14.531 -8.136 1.00 12.32 C ATOM 1631 CG GLU A 481 -13.500 -15.120 -8.386 1.00 33.43 C ATOM 1632 CD GLU A 481 -13.718 -15.552 -9.847 1.00 53.11 C ATOM 1633 OE1 GLU A 481 -13.169 -16.606 -10.257 1.00 72.22 O ATOM 1634 OE2 GLU A 481 -14.410 -14.824 -10.597 1.00 10.43 O ATOM 0 H GLU A 481 -13.431 -12.639 -7.239 1.00 44.34 H new ATOM 0 HA GLU A 481 -12.139 -14.744 -5.966 1.00 62.02 H new ATOM 0 HB2 GLU A 481 -11.916 -13.726 -8.850 1.00 12.32 H new ATOM 0 HB3 GLU A 481 -11.348 -15.302 -8.334 1.00 12.32 H new ATOM 0 HG2 GLU A 481 -13.650 -15.979 -7.732 1.00 33.43 H new ATOM 0 HG3 GLU A 481 -14.252 -14.379 -8.116 1.00 33.43 H new ATOM 1641 N SER A 482 -9.908 -12.514 -7.014 1.00 60.12 N ATOM 1642 CA SER A 482 -8.506 -12.034 -6.833 1.00 32.21 C ATOM 1643 C SER A 482 -8.276 -11.393 -5.436 1.00 44.11 C ATOM 1644 O SER A 482 -7.163 -11.432 -4.904 1.00 1.25 O ATOM 1645 CB SER A 482 -8.149 -11.015 -7.943 1.00 24.53 C ATOM 1646 OG SER A 482 -8.376 -11.553 -9.233 1.00 30.52 O ATOM 0 H SER A 482 -10.483 -11.897 -7.588 1.00 60.12 H new ATOM 0 HA SER A 482 -7.854 -12.905 -6.904 1.00 32.21 H new ATOM 0 HB2 SER A 482 -8.745 -10.111 -7.814 1.00 24.53 H new ATOM 0 HB3 SER A 482 -7.103 -10.723 -7.848 1.00 24.53 H new ATOM 0 HG SER A 482 -8.143 -10.885 -9.912 1.00 30.52 H new ATOM 1652 N LEU A 483 -9.341 -10.806 -4.851 1.00 10.51 N ATOM 1653 CA LEU A 483 -9.256 -10.066 -3.565 1.00 4.43 C ATOM 1654 C LEU A 483 -9.149 -11.015 -2.352 1.00 1.34 C ATOM 1655 O LEU A 483 -8.432 -10.711 -1.407 1.00 43.15 O ATOM 1656 CB LEU A 483 -10.448 -9.079 -3.432 1.00 63.13 C ATOM 1657 CG LEU A 483 -10.492 -8.174 -2.156 1.00 12.51 C ATOM 1658 CD1 LEU A 483 -9.170 -7.415 -1.894 1.00 64.31 C ATOM 1659 CD2 LEU A 483 -11.672 -7.187 -2.226 1.00 32.20 C ATOM 0 H LEU A 483 -10.280 -10.828 -5.250 1.00 10.51 H new ATOM 0 HA LEU A 483 -8.335 -9.484 -3.572 1.00 4.43 H new ATOM 0 HB2 LEU A 483 -10.447 -8.429 -4.307 1.00 63.13 H new ATOM 0 HB3 LEU A 483 -11.371 -9.658 -3.467 1.00 63.13 H new ATOM 0 HG LEU A 483 -10.634 -8.849 -1.312 1.00 12.51 H new ATOM 0 HD11 LEU A 483 -9.271 -6.807 -0.995 1.00 64.31 H new ATOM 0 HD12 LEU A 483 -8.360 -8.131 -1.758 1.00 64.31 H new ATOM 0 HD13 LEU A 483 -8.946 -6.770 -2.744 1.00 64.31 H new ATOM 0 HD21 LEU A 483 -11.683 -6.568 -1.329 1.00 32.20 H new ATOM 0 HD22 LEU A 483 -11.562 -6.551 -3.104 1.00 32.20 H new ATOM 0 HD23 LEU A 483 -12.607 -7.742 -2.295 1.00 32.20 H new ATOM 1671 N LYS A 484 -9.837 -12.173 -2.405 1.00 13.23 N ATOM 1672 CA LYS A 484 -9.694 -13.260 -1.390 1.00 62.53 C ATOM 1673 C LYS A 484 -8.205 -13.696 -1.271 1.00 73.22 C ATOM 1674 O LYS A 484 -7.717 -14.024 -0.180 1.00 53.04 O ATOM 1675 CB LYS A 484 -10.565 -14.486 -1.785 1.00 44.25 C ATOM 1676 CG LYS A 484 -12.072 -14.196 -2.003 1.00 15.34 C ATOM 1677 CD LYS A 484 -12.836 -15.427 -2.564 1.00 65.12 C ATOM 1678 CE LYS A 484 -14.266 -15.095 -3.042 1.00 31.12 C ATOM 1679 NZ LYS A 484 -15.129 -14.566 -1.953 1.00 42.32 N ATOM 0 H LYS A 484 -10.506 -12.390 -3.144 1.00 13.23 H new ATOM 0 HA LYS A 484 -10.032 -12.877 -0.427 1.00 62.53 H new ATOM 0 HB2 LYS A 484 -10.160 -14.916 -2.701 1.00 44.25 H new ATOM 0 HB3 LYS A 484 -10.468 -15.243 -1.007 1.00 44.25 H new ATOM 0 HG2 LYS A 484 -12.521 -13.893 -1.057 1.00 15.34 H new ATOM 0 HG3 LYS A 484 -12.182 -13.358 -2.692 1.00 15.34 H new ATOM 0 HD2 LYS A 484 -12.271 -15.848 -3.396 1.00 65.12 H new ATOM 0 HD3 LYS A 484 -12.888 -16.196 -1.793 1.00 65.12 H new ATOM 0 HE2 LYS A 484 -14.214 -14.362 -3.847 1.00 31.12 H new ATOM 0 HE3 LYS A 484 -14.723 -15.993 -3.458 1.00 31.12 H new ATOM 0 HZ1 LYS A 484 -16.001 -14.172 -2.361 1.00 42.32 H new ATOM 0 HZ2 LYS A 484 -15.371 -15.336 -1.297 1.00 42.32 H new ATOM 0 HZ3 LYS A 484 -14.620 -13.819 -1.438 1.00 42.32 H new ATOM 1693 N GLY A 485 -7.511 -13.664 -2.428 1.00 24.03 N ATOM 1694 CA GLY A 485 -6.065 -13.870 -2.500 1.00 12.53 C ATOM 1695 C GLY A 485 -5.261 -12.768 -1.804 1.00 10.12 C ATOM 1696 O GLY A 485 -4.360 -13.067 -1.022 1.00 3.43 O ATOM 0 H GLY A 485 -7.946 -13.494 -3.335 1.00 24.03 H new ATOM 0 HA2 GLY A 485 -5.819 -14.831 -2.048 1.00 12.53 H new ATOM 0 HA3 GLY A 485 -5.764 -13.924 -3.546 1.00 12.53 H new ATOM 1700 N LEU A 486 -5.612 -11.485 -2.075 1.00 1.43 N ATOM 1701 CA LEU A 486 -4.944 -10.309 -1.447 1.00 43.44 C ATOM 1702 C LEU A 486 -5.123 -10.293 0.100 1.00 10.31 C ATOM 1703 O LEU A 486 -4.212 -9.889 0.824 1.00 25.13 O ATOM 1704 CB LEU A 486 -5.459 -8.981 -2.077 1.00 35.13 C ATOM 1705 CG LEU A 486 -4.723 -7.669 -1.627 1.00 11.45 C ATOM 1706 CD1 LEU A 486 -3.215 -7.704 -1.980 1.00 53.34 C ATOM 1707 CD2 LEU A 486 -5.408 -6.413 -2.220 1.00 10.14 C ATOM 0 H LEU A 486 -6.356 -11.235 -2.726 1.00 1.43 H new ATOM 0 HA LEU A 486 -3.876 -10.398 -1.647 1.00 43.44 H new ATOM 0 HB2 LEU A 486 -5.381 -9.063 -3.161 1.00 35.13 H new ATOM 0 HB3 LEU A 486 -6.518 -8.878 -1.841 1.00 35.13 H new ATOM 0 HG LEU A 486 -4.798 -7.612 -0.541 1.00 11.45 H new ATOM 0 HD11 LEU A 486 -2.743 -6.778 -1.652 1.00 53.34 H new ATOM 0 HD12 LEU A 486 -2.743 -8.549 -1.479 1.00 53.34 H new ATOM 0 HD13 LEU A 486 -3.096 -7.810 -3.058 1.00 53.34 H new ATOM 0 HD21 LEU A 486 -4.877 -5.520 -1.891 1.00 10.14 H new ATOM 0 HD22 LEU A 486 -5.388 -6.467 -3.308 1.00 10.14 H new ATOM 0 HD23 LEU A 486 -6.442 -6.367 -1.878 1.00 10.14 H new ATOM 1719 N TYR A 487 -6.288 -10.769 0.595 1.00 14.12 N ATOM 1720 CA TYR A 487 -6.535 -10.964 2.053 1.00 32.50 C ATOM 1721 C TYR A 487 -5.498 -11.932 2.678 1.00 74.44 C ATOM 1722 O TYR A 487 -5.007 -11.695 3.791 1.00 20.43 O ATOM 1723 CB TYR A 487 -7.985 -11.482 2.313 1.00 51.45 C ATOM 1724 CG TYR A 487 -9.066 -10.385 2.290 1.00 53.40 C ATOM 1725 CD1 TYR A 487 -9.262 -9.561 3.391 1.00 42.21 C ATOM 1726 CD2 TYR A 487 -9.870 -10.161 1.181 1.00 54.33 C ATOM 1727 CE1 TYR A 487 -10.210 -8.556 3.385 1.00 14.12 C ATOM 1728 CE2 TYR A 487 -10.813 -9.153 1.171 1.00 12.51 C ATOM 1729 CZ TYR A 487 -10.981 -8.357 2.270 1.00 1.45 C ATOM 1730 OH TYR A 487 -11.917 -7.344 2.253 1.00 42.23 O ATOM 0 H TYR A 487 -7.080 -11.028 0.007 1.00 14.12 H new ATOM 0 HA TYR A 487 -6.424 -9.992 2.533 1.00 32.50 H new ATOM 0 HB2 TYR A 487 -8.230 -12.232 1.561 1.00 51.45 H new ATOM 0 HB3 TYR A 487 -8.011 -11.981 3.282 1.00 51.45 H new ATOM 0 HD1 TYR A 487 -8.658 -9.710 4.274 1.00 42.21 H new ATOM 0 HD2 TYR A 487 -9.756 -10.788 0.309 1.00 54.33 H new ATOM 0 HE1 TYR A 487 -10.343 -7.930 4.255 1.00 14.12 H new ATOM 0 HE2 TYR A 487 -11.420 -8.993 0.292 1.00 12.51 H new ATOM 0 HH TYR A 487 -12.552 -7.498 1.523 1.00 42.23 H new ATOM 1740 N ARG A 488 -5.172 -13.009 1.940 1.00 41.22 N ATOM 1741 CA ARG A 488 -4.147 -13.989 2.356 1.00 3.35 C ATOM 1742 C ARG A 488 -2.712 -13.401 2.247 1.00 32.14 C ATOM 1743 O ARG A 488 -1.912 -13.595 3.152 1.00 35.20 O ATOM 1744 CB ARG A 488 -4.276 -15.302 1.533 1.00 31.52 C ATOM 1745 CG ARG A 488 -5.620 -16.048 1.725 1.00 72.50 C ATOM 1746 CD ARG A 488 -5.627 -17.458 1.095 1.00 62.42 C ATOM 1747 NE ARG A 488 -4.593 -18.331 1.692 1.00 25.45 N ATOM 1748 CZ ARG A 488 -4.700 -19.628 1.915 1.00 45.32 C ATOM 1749 NH1 ARG A 488 -5.772 -20.292 1.610 1.00 45.54 N ATOM 1750 NH2 ARG A 488 -3.705 -20.259 2.441 1.00 3.13 N ATOM 0 H ARG A 488 -5.608 -13.225 1.043 1.00 41.22 H new ATOM 0 HA ARG A 488 -4.322 -14.224 3.406 1.00 3.35 H new ATOM 0 HB2 ARG A 488 -4.152 -15.067 0.476 1.00 31.52 H new ATOM 0 HB3 ARG A 488 -3.461 -15.971 1.809 1.00 31.52 H new ATOM 0 HG2 ARG A 488 -5.833 -16.132 2.791 1.00 72.50 H new ATOM 0 HG3 ARG A 488 -6.423 -15.456 1.285 1.00 72.50 H new ATOM 0 HD2 ARG A 488 -6.609 -17.912 1.231 1.00 62.42 H new ATOM 0 HD3 ARG A 488 -5.459 -17.377 0.021 1.00 62.42 H new ATOM 0 HE ARG A 488 -3.713 -17.889 1.957 1.00 25.45 H new ATOM 0 HH11 ARG A 488 -6.565 -19.812 1.184 1.00 45.54 H new ATOM 0 HH12 ARG A 488 -5.822 -21.294 1.796 1.00 45.54 H new ATOM 0 HH21 ARG A 488 -2.850 -19.756 2.679 1.00 3.13 H new ATOM 0 HH22 ARG A 488 -3.773 -21.261 2.619 1.00 3.13 H new ATOM 1764 N ILE A 489 -2.423 -12.648 1.156 1.00 11.45 N ATOM 1765 CA ILE A 489 -1.082 -12.032 0.907 1.00 42.12 C ATOM 1766 C ILE A 489 -0.652 -11.111 2.073 1.00 44.40 C ATOM 1767 O ILE A 489 0.404 -11.298 2.685 1.00 75.15 O ATOM 1768 CB ILE A 489 -1.089 -11.188 -0.432 1.00 0.35 C ATOM 1769 CG1 ILE A 489 -1.341 -12.094 -1.680 1.00 30.12 C ATOM 1770 CG2 ILE A 489 0.214 -10.359 -0.605 1.00 21.02 C ATOM 1771 CD1 ILE A 489 -1.502 -11.336 -2.989 1.00 1.02 C ATOM 0 H ILE A 489 -3.104 -12.448 0.424 1.00 11.45 H new ATOM 0 HA ILE A 489 -0.370 -12.853 0.822 1.00 42.12 H new ATOM 0 HB ILE A 489 -1.917 -10.484 -0.354 1.00 0.35 H new ATOM 0 HG12 ILE A 489 -0.510 -12.793 -1.779 1.00 30.12 H new ATOM 0 HG13 ILE A 489 -2.238 -12.688 -1.506 1.00 30.12 H new ATOM 0 HG21 ILE A 489 0.166 -9.796 -1.537 1.00 21.02 H new ATOM 0 HG22 ILE A 489 0.320 -9.668 0.232 1.00 21.02 H new ATOM 0 HG23 ILE A 489 1.072 -11.031 -0.631 1.00 21.02 H new ATOM 0 HD11 ILE A 489 -1.673 -12.043 -3.800 1.00 1.02 H new ATOM 0 HD12 ILE A 489 -2.352 -10.657 -2.914 1.00 1.02 H new ATOM 0 HD13 ILE A 489 -0.597 -10.763 -3.192 1.00 1.02 H new ATOM 1783 N MET A 490 -1.527 -10.151 2.391 1.00 32.32 N ATOM 1784 CA MET A 490 -1.268 -9.131 3.422 1.00 12.13 C ATOM 1785 C MET A 490 -1.343 -9.764 4.837 1.00 64.33 C ATOM 1786 O MET A 490 -0.682 -9.302 5.775 1.00 21.24 O ATOM 1787 CB MET A 490 -2.284 -7.972 3.262 1.00 61.25 C ATOM 1788 CG MET A 490 -2.417 -7.428 1.823 1.00 1.53 C ATOM 1789 SD MET A 490 -0.907 -6.674 1.177 1.00 63.14 S ATOM 1790 CE MET A 490 -0.903 -5.081 2.002 1.00 15.10 C ATOM 0 H MET A 490 -2.438 -10.056 1.942 1.00 32.32 H new ATOM 0 HA MET A 490 -0.263 -8.728 3.298 1.00 12.13 H new ATOM 0 HB2 MET A 490 -3.262 -8.315 3.599 1.00 61.25 H new ATOM 0 HB3 MET A 490 -1.989 -7.154 3.920 1.00 61.25 H new ATOM 0 HG2 MET A 490 -2.714 -8.244 1.164 1.00 1.53 H new ATOM 0 HG3 MET A 490 -3.219 -6.690 1.798 1.00 1.53 H new ATOM 0 HE1 MET A 490 -0.275 -4.385 1.446 1.00 15.10 H new ATOM 0 HE2 MET A 490 -1.921 -4.693 2.049 1.00 15.10 H new ATOM 0 HE3 MET A 490 -0.511 -5.196 3.013 1.00 15.10 H new ATOM 1800 N GLY A 491 -2.145 -10.851 4.954 1.00 15.22 N ATOM 1801 CA GLY A 491 -2.222 -11.658 6.180 1.00 64.32 C ATOM 1802 C GLY A 491 -0.959 -12.502 6.444 1.00 25.41 C ATOM 1803 O GLY A 491 -0.645 -12.810 7.595 1.00 14.31 O ATOM 0 H GLY A 491 -2.749 -11.185 4.203 1.00 15.22 H new ATOM 0 HA2 GLY A 491 -2.391 -10.997 7.030 1.00 64.32 H new ATOM 0 HA3 GLY A 491 -3.085 -12.321 6.115 1.00 64.32 H new ATOM 1807 N ASN A 492 -0.224 -12.862 5.366 1.00 15.42 N ATOM 1808 CA ASN A 492 1.058 -13.633 5.450 1.00 60.20 C ATOM 1809 C ASN A 492 2.270 -12.739 5.839 1.00 3.52 C ATOM 1810 O ASN A 492 3.422 -13.195 5.788 1.00 31.22 O ATOM 1811 CB ASN A 492 1.347 -14.344 4.093 1.00 20.32 C ATOM 1812 CG ASN A 492 0.363 -15.466 3.759 1.00 51.04 C ATOM 1813 OD1 ASN A 492 -0.166 -16.137 4.639 1.00 50.31 O ATOM 1814 ND2 ASN A 492 0.105 -15.686 2.483 1.00 73.14 N ATOM 0 H ASN A 492 -0.495 -12.631 4.410 1.00 15.42 H new ATOM 0 HA ASN A 492 0.931 -14.373 6.240 1.00 60.20 H new ATOM 0 HB2 ASN A 492 1.323 -13.603 3.294 1.00 20.32 H new ATOM 0 HB3 ASN A 492 2.356 -14.755 4.117 1.00 20.32 H new ATOM 0 HD21 ASN A 492 -0.545 -16.425 2.214 1.00 73.14 H new ATOM 0 HD22 ASN A 492 0.555 -15.117 1.766 1.00 73.14 H new ATOM 1821 N GLY A 493 1.997 -11.488 6.238 1.00 64.43 N ATOM 1822 CA GLY A 493 3.046 -10.533 6.589 1.00 44.32 C ATOM 1823 C GLY A 493 3.670 -9.882 5.358 1.00 2.21 C ATOM 1824 O GLY A 493 4.890 -9.926 5.166 1.00 14.23 O ATOM 0 H GLY A 493 1.051 -11.117 6.324 1.00 64.43 H new ATOM 0 HA2 GLY A 493 2.630 -9.760 7.235 1.00 44.32 H new ATOM 0 HA3 GLY A 493 3.822 -11.042 7.161 1.00 44.32 H new ATOM 1828 N PHE A 494 2.818 -9.303 4.499 1.00 63.44 N ATOM 1829 CA PHE A 494 3.255 -8.507 3.330 1.00 75.32 C ATOM 1830 C PHE A 494 2.596 -7.118 3.323 1.00 1.34 C ATOM 1831 O PHE A 494 1.641 -6.849 4.060 1.00 71.40 O ATOM 1832 CB PHE A 494 2.974 -9.247 1.988 1.00 23.05 C ATOM 1833 CG PHE A 494 3.911 -10.421 1.710 1.00 73.40 C ATOM 1834 CD1 PHE A 494 5.210 -10.193 1.248 1.00 74.43 C ATOM 1835 CD2 PHE A 494 3.511 -11.740 1.921 1.00 0.51 C ATOM 1836 CE1 PHE A 494 6.070 -11.243 0.995 1.00 41.22 C ATOM 1837 CE2 PHE A 494 4.372 -12.791 1.668 1.00 41.23 C ATOM 1838 CZ PHE A 494 5.653 -12.543 1.210 1.00 64.02 C ATOM 0 H PHE A 494 1.804 -9.370 4.591 1.00 63.44 H new ATOM 0 HA PHE A 494 4.333 -8.377 3.421 1.00 75.32 H new ATOM 0 HB2 PHE A 494 1.947 -9.611 1.995 1.00 23.05 H new ATOM 0 HB3 PHE A 494 3.053 -8.532 1.169 1.00 23.05 H new ATOM 0 HD1 PHE A 494 5.546 -9.180 1.086 1.00 74.43 H new ATOM 0 HD2 PHE A 494 2.515 -11.943 2.287 1.00 0.51 H new ATOM 0 HE1 PHE A 494 7.068 -11.049 0.629 1.00 41.22 H new ATOM 0 HE2 PHE A 494 4.044 -13.807 1.828 1.00 41.23 H new ATOM 0 HZ PHE A 494 6.327 -13.365 1.020 1.00 64.02 H new ATOM 1848 N ALA A 495 3.131 -6.257 2.452 1.00 10.00 N ATOM 1849 CA ALA A 495 2.771 -4.840 2.370 1.00 13.13 C ATOM 1850 C ALA A 495 2.978 -4.320 0.928 1.00 21.53 C ATOM 1851 O ALA A 495 3.865 -4.789 0.212 1.00 34.53 O ATOM 1852 CB ALA A 495 3.613 -4.062 3.373 1.00 71.02 C ATOM 0 H ALA A 495 3.840 -6.532 1.772 1.00 10.00 H new ATOM 0 HA ALA A 495 1.718 -4.704 2.616 1.00 13.13 H new ATOM 0 HB1 ALA A 495 3.355 -3.004 3.322 1.00 71.02 H new ATOM 0 HB2 ALA A 495 3.418 -4.435 4.378 1.00 71.02 H new ATOM 0 HB3 ALA A 495 4.670 -4.189 3.137 1.00 71.02 H new ATOM 1858 N GLY A 496 2.173 -3.328 0.528 1.00 41.23 N ATOM 1859 CA GLY A 496 2.124 -2.844 -0.862 1.00 21.14 C ATOM 1860 C GLY A 496 2.678 -1.428 -1.014 1.00 15.13 C ATOM 1861 O GLY A 496 2.037 -0.467 -0.607 1.00 24.43 O ATOM 0 H GLY A 496 1.537 -2.837 1.156 1.00 41.23 H new ATOM 0 HA2 GLY A 496 2.692 -3.522 -1.499 1.00 21.14 H new ATOM 0 HA3 GLY A 496 1.093 -2.866 -1.214 1.00 21.14 H new ATOM 1865 N CYS A 497 3.857 -1.288 -1.634 1.00 41.14 N ATOM 1866 CA CYS A 497 4.572 0.015 -1.708 1.00 15.40 C ATOM 1867 C CYS A 497 4.175 0.763 -2.994 1.00 55.14 C ATOM 1868 O CYS A 497 4.748 0.526 -4.061 1.00 15.50 O ATOM 1869 CB CYS A 497 6.104 -0.208 -1.645 1.00 12.44 C ATOM 1870 SG CYS A 497 7.067 1.316 -1.635 1.00 25.10 S ATOM 0 H CYS A 497 4.345 -2.056 -2.095 1.00 41.14 H new ATOM 0 HA CYS A 497 4.285 0.627 -0.853 1.00 15.40 H new ATOM 0 HB2 CYS A 497 6.341 -0.781 -0.749 1.00 12.44 H new ATOM 0 HB3 CYS A 497 6.408 -0.812 -2.500 1.00 12.44 H new ATOM 0 HG CYS A 497 7.596 1.503 -2.808 1.00 25.10 H new ATOM 1876 N VAL A 498 3.156 1.640 -2.883 1.00 41.35 N ATOM 1877 CA VAL A 498 2.544 2.325 -4.043 1.00 12.01 C ATOM 1878 C VAL A 498 3.395 3.529 -4.497 1.00 51.43 C ATOM 1879 O VAL A 498 3.490 4.533 -3.787 1.00 74.12 O ATOM 1880 CB VAL A 498 1.072 2.797 -3.726 1.00 51.23 C ATOM 1881 CG1 VAL A 498 0.383 3.403 -4.980 1.00 51.33 C ATOM 1882 CG2 VAL A 498 0.219 1.646 -3.126 1.00 72.31 C ATOM 0 H VAL A 498 2.734 1.894 -1.990 1.00 41.35 H new ATOM 0 HA VAL A 498 2.506 1.599 -4.856 1.00 12.01 H new ATOM 0 HB VAL A 498 1.144 3.583 -2.974 1.00 51.23 H new ATOM 0 HG11 VAL A 498 -0.629 3.717 -4.723 1.00 51.33 H new ATOM 0 HG12 VAL A 498 0.953 4.265 -5.328 1.00 51.33 H new ATOM 0 HG13 VAL A 498 0.341 2.653 -5.770 1.00 51.33 H new ATOM 0 HG21 VAL A 498 -0.788 2.009 -2.921 1.00 72.31 H new ATOM 0 HG22 VAL A 498 0.170 0.821 -3.837 1.00 72.31 H new ATOM 0 HG23 VAL A 498 0.676 1.300 -2.199 1.00 72.31 H new ATOM 1892 N HIS A 499 4.014 3.408 -5.683 1.00 25.13 N ATOM 1893 CA HIS A 499 4.829 4.487 -6.291 1.00 3.52 C ATOM 1894 C HIS A 499 4.058 5.181 -7.447 1.00 54.52 C ATOM 1895 O HIS A 499 3.458 4.523 -8.304 1.00 11.55 O ATOM 1896 CB HIS A 499 6.191 3.934 -6.796 1.00 41.40 C ATOM 1897 CG HIS A 499 7.106 3.433 -5.695 1.00 45.42 C ATOM 1898 ND1 HIS A 499 7.962 4.284 -5.030 1.00 73.23 N ATOM 1899 CD2 HIS A 499 7.267 2.183 -5.199 1.00 74.43 C ATOM 1900 CE1 HIS A 499 8.613 3.540 -4.156 1.00 30.34 C ATOM 1901 NE2 HIS A 499 8.228 2.260 -4.222 1.00 35.30 N ATOM 0 H HIS A 499 3.967 2.562 -6.251 1.00 25.13 H new ATOM 0 HA HIS A 499 5.028 5.232 -5.520 1.00 3.52 H new ATOM 0 HB2 HIS A 499 6.003 3.119 -7.495 1.00 41.40 H new ATOM 0 HB3 HIS A 499 6.705 4.718 -7.351 1.00 41.40 H new ATOM 0 HD1 HIS A 499 8.070 5.287 -5.183 1.00 73.23 H new ATOM 0 HD2 HIS A 499 6.739 1.294 -5.513 1.00 74.43 H new ATOM 0 HE1 HIS A 499 9.361 3.916 -3.474 1.00 30.34 H new ATOM 1909 N PHE A 500 4.096 6.518 -7.437 1.00 50.24 N ATOM 1910 CA PHE A 500 3.442 7.396 -8.435 1.00 11.33 C ATOM 1911 C PHE A 500 4.500 7.962 -9.420 1.00 71.03 C ATOM 1912 O PHE A 500 5.694 7.992 -9.093 1.00 35.20 O ATOM 1913 CB PHE A 500 2.750 8.596 -7.710 1.00 40.33 C ATOM 1914 CG PHE A 500 1.566 8.242 -6.799 1.00 60.15 C ATOM 1915 CD1 PHE A 500 1.738 7.453 -5.657 1.00 45.33 C ATOM 1916 CD2 PHE A 500 0.281 8.716 -7.077 1.00 1.55 C ATOM 1917 CE1 PHE A 500 0.671 7.153 -4.832 1.00 63.23 C ATOM 1918 CE2 PHE A 500 -0.783 8.412 -6.252 1.00 45.12 C ATOM 1919 CZ PHE A 500 -0.591 7.629 -5.133 1.00 21.13 C ATOM 0 H PHE A 500 4.595 7.042 -6.717 1.00 50.24 H new ATOM 0 HA PHE A 500 2.703 6.810 -8.981 1.00 11.33 H new ATOM 0 HB2 PHE A 500 3.500 9.114 -7.112 1.00 40.33 H new ATOM 0 HB3 PHE A 500 2.403 9.300 -8.466 1.00 40.33 H new ATOM 0 HD1 PHE A 500 2.720 7.072 -5.416 1.00 45.33 H new ATOM 0 HD2 PHE A 500 0.118 9.330 -7.951 1.00 1.55 H new ATOM 0 HE1 PHE A 500 0.823 6.546 -3.952 1.00 63.23 H new ATOM 0 HE2 PHE A 500 -1.769 8.788 -6.483 1.00 45.12 H new ATOM 0 HZ PHE A 500 -1.426 7.388 -4.492 1.00 21.13 H new ATOM 1929 N PRO A 501 4.083 8.418 -10.648 1.00 41.13 N ATOM 1930 CA PRO A 501 4.918 9.332 -11.478 1.00 10.34 C ATOM 1931 C PRO A 501 5.225 10.653 -10.716 1.00 10.41 C ATOM 1932 O PRO A 501 4.331 11.195 -10.046 1.00 45.44 O ATOM 1933 CB PRO A 501 4.040 9.580 -12.739 1.00 43.55 C ATOM 1934 CG PRO A 501 3.104 8.405 -12.788 1.00 22.24 C ATOM 1935 CD PRO A 501 2.820 8.049 -11.344 1.00 54.03 C ATOM 0 HA PRO A 501 5.894 8.916 -11.727 1.00 10.34 H new ATOM 0 HB2 PRO A 501 3.493 10.520 -12.662 1.00 43.55 H new ATOM 0 HB3 PRO A 501 4.649 9.639 -13.641 1.00 43.55 H new ATOM 0 HG2 PRO A 501 2.185 8.658 -13.317 1.00 22.24 H new ATOM 0 HG3 PRO A 501 3.556 7.566 -13.317 1.00 22.24 H new ATOM 0 HD2 PRO A 501 1.968 8.604 -10.953 1.00 54.03 H new ATOM 0 HD3 PRO A 501 2.591 6.990 -11.228 1.00 54.03 H new ATOM 2024 N VAL A 508 2.258 13.669 -2.820 1.00 50.32 N ATOM 2025 CA VAL A 508 2.043 12.197 -2.919 1.00 23.13 C ATOM 2026 C VAL A 508 2.669 11.556 -4.190 1.00 1.34 C ATOM 2027 O VAL A 508 2.091 11.565 -5.283 1.00 5.34 O ATOM 2028 CB VAL A 508 0.518 11.818 -2.842 1.00 12.13 C ATOM 2029 CG1 VAL A 508 0.322 10.280 -2.736 1.00 31.21 C ATOM 2030 CG2 VAL A 508 -0.174 12.543 -1.673 1.00 71.42 C ATOM 0 HA VAL A 508 2.563 11.785 -2.054 1.00 23.13 H new ATOM 0 HB VAL A 508 0.049 12.149 -3.769 1.00 12.13 H new ATOM 0 HG11 VAL A 508 -0.743 10.052 -2.685 1.00 31.21 H new ATOM 0 HG12 VAL A 508 0.755 9.797 -3.612 1.00 31.21 H new ATOM 0 HG13 VAL A 508 0.816 9.911 -1.837 1.00 31.21 H new ATOM 0 HG21 VAL A 508 -1.227 12.263 -1.643 1.00 71.42 H new ATOM 0 HG22 VAL A 508 0.304 12.259 -0.735 1.00 71.42 H new ATOM 0 HG23 VAL A 508 -0.089 13.621 -1.812 1.00 71.42 H new ATOM 2040 N ARG A 509 3.898 11.061 -4.013 1.00 24.45 N ATOM 2041 CA ARG A 509 4.634 10.259 -5.007 1.00 65.21 C ATOM 2042 C ARG A 509 4.862 8.817 -4.472 1.00 1.11 C ATOM 2043 O ARG A 509 5.267 7.918 -5.211 1.00 54.33 O ATOM 2044 CB ARG A 509 5.977 10.948 -5.348 1.00 72.10 C ATOM 2045 CG ARG A 509 6.788 10.246 -6.458 1.00 52.15 C ATOM 2046 CD ARG A 509 8.171 10.859 -6.667 1.00 22.22 C ATOM 2047 NE ARG A 509 8.963 10.078 -7.633 1.00 3.25 N ATOM 2048 CZ ARG A 509 10.241 10.249 -7.899 1.00 0.34 C ATOM 2049 NH1 ARG A 509 10.940 11.192 -7.341 1.00 35.33 N ATOM 2050 NH2 ARG A 509 10.814 9.463 -8.742 1.00 43.24 N ATOM 0 H ARG A 509 4.426 11.209 -3.153 1.00 24.45 H new ATOM 0 HA ARG A 509 4.044 10.188 -5.921 1.00 65.21 H new ATOM 0 HB2 ARG A 509 5.777 11.975 -5.654 1.00 72.10 H new ATOM 0 HB3 ARG A 509 6.586 10.997 -4.445 1.00 72.10 H new ATOM 0 HG2 ARG A 509 6.899 9.191 -6.207 1.00 52.15 H new ATOM 0 HG3 ARG A 509 6.230 10.294 -7.393 1.00 52.15 H new ATOM 0 HD2 ARG A 509 8.067 11.884 -7.023 1.00 22.22 H new ATOM 0 HD3 ARG A 509 8.698 10.905 -5.714 1.00 22.22 H new ATOM 0 HE ARG A 509 8.478 9.339 -8.141 1.00 3.25 H new ATOM 0 HH11 ARG A 509 10.500 11.827 -6.675 1.00 35.33 H new ATOM 0 HH12 ARG A 509 11.929 11.297 -7.569 1.00 35.33 H new ATOM 0 HH21 ARG A 509 10.279 8.721 -9.193 1.00 43.24 H new ATOM 0 HH22 ARG A 509 11.803 9.582 -8.959 1.00 43.24 H new ATOM 2064 N VAL A 510 4.585 8.601 -3.174 1.00 52.14 N ATOM 2065 CA VAL A 510 4.687 7.270 -2.546 1.00 35.23 C ATOM 2066 C VAL A 510 3.769 7.174 -1.300 1.00 60.13 C ATOM 2067 O VAL A 510 3.578 8.160 -0.577 1.00 54.42 O ATOM 2068 CB VAL A 510 6.184 6.905 -2.181 1.00 33.34 C ATOM 2069 CG1 VAL A 510 6.767 7.850 -1.103 1.00 21.51 C ATOM 2070 CG2 VAL A 510 6.332 5.409 -1.781 1.00 23.21 C ATOM 0 H VAL A 510 4.286 9.337 -2.534 1.00 52.14 H new ATOM 0 HA VAL A 510 4.345 6.537 -3.277 1.00 35.23 H new ATOM 0 HB VAL A 510 6.775 7.056 -3.084 1.00 33.34 H new ATOM 0 HG11 VAL A 510 7.795 7.562 -0.884 1.00 21.51 H new ATOM 0 HG12 VAL A 510 6.748 8.876 -1.470 1.00 21.51 H new ATOM 0 HG13 VAL A 510 6.169 7.778 -0.194 1.00 21.51 H new ATOM 0 HG21 VAL A 510 7.374 5.199 -1.538 1.00 23.21 H new ATOM 0 HG22 VAL A 510 5.708 5.201 -0.912 1.00 23.21 H new ATOM 0 HG23 VAL A 510 6.019 4.777 -2.612 1.00 23.21 H new ATOM 2080 N LEU A 511 3.180 5.984 -1.098 1.00 52.32 N ATOM 2081 CA LEU A 511 2.395 5.635 0.104 1.00 50.40 C ATOM 2082 C LEU A 511 2.503 4.123 0.368 1.00 63.42 C ATOM 2083 O LEU A 511 2.983 3.367 -0.488 1.00 23.10 O ATOM 2084 CB LEU A 511 0.911 6.117 -0.028 1.00 72.12 C ATOM 2085 CG LEU A 511 -0.020 5.415 -1.090 1.00 65.41 C ATOM 2086 CD1 LEU A 511 -0.692 4.137 -0.533 1.00 33.13 C ATOM 2087 CD2 LEU A 511 -1.095 6.386 -1.635 1.00 55.31 C ATOM 0 H LEU A 511 3.235 5.223 -1.775 1.00 52.32 H new ATOM 0 HA LEU A 511 2.807 6.157 0.968 1.00 50.40 H new ATOM 0 HB2 LEU A 511 0.440 6.008 0.949 1.00 72.12 H new ATOM 0 HB3 LEU A 511 0.928 7.183 -0.256 1.00 72.12 H new ATOM 0 HG LEU A 511 0.630 5.117 -1.913 1.00 65.41 H new ATOM 0 HD11 LEU A 511 -1.322 3.692 -1.303 1.00 33.13 H new ATOM 0 HD12 LEU A 511 0.076 3.423 -0.235 1.00 33.13 H new ATOM 0 HD13 LEU A 511 -1.303 4.395 0.332 1.00 33.13 H new ATOM 0 HD21 LEU A 511 -1.718 5.867 -2.364 1.00 55.31 H new ATOM 0 HD22 LEU A 511 -1.717 6.739 -0.812 1.00 55.31 H new ATOM 0 HD23 LEU A 511 -0.609 7.236 -2.113 1.00 55.31 H new ATOM 2099 N MET A 512 2.061 3.672 1.555 1.00 54.23 N ATOM 2100 CA MET A 512 2.172 2.254 1.943 1.00 3.41 C ATOM 2101 C MET A 512 0.787 1.642 2.242 1.00 72.23 C ATOM 2102 O MET A 512 0.122 2.038 3.201 1.00 71.35 O ATOM 2103 CB MET A 512 3.129 2.112 3.169 1.00 2.45 C ATOM 2104 CG MET A 512 4.257 1.114 2.935 1.00 72.30 C ATOM 2105 SD MET A 512 3.632 -0.475 2.375 1.00 4.42 S ATOM 2106 CE MET A 512 5.156 -1.253 1.895 1.00 64.42 C ATOM 0 H MET A 512 1.625 4.266 2.260 1.00 54.23 H new ATOM 0 HA MET A 512 2.593 1.699 1.105 1.00 3.41 H new ATOM 0 HB2 MET A 512 3.557 3.087 3.403 1.00 2.45 H new ATOM 0 HB3 MET A 512 2.551 1.801 4.039 1.00 2.45 H new ATOM 0 HG2 MET A 512 4.949 1.514 2.194 1.00 72.30 H new ATOM 0 HG3 MET A 512 4.821 0.979 3.858 1.00 72.30 H new ATOM 0 HE1 MET A 512 5.059 -1.650 0.885 1.00 64.42 H new ATOM 0 HE2 MET A 512 5.963 -0.520 1.921 1.00 64.42 H new ATOM 0 HE3 MET A 512 5.382 -2.066 2.584 1.00 64.42 H new ATOM 2116 N LEU A 513 0.378 0.661 1.422 1.00 3.02 N ATOM 2117 CA LEU A 513 -0.839 -0.123 1.668 1.00 34.43 C ATOM 2118 C LEU A 513 -0.548 -1.227 2.705 1.00 70.10 C ATOM 2119 O LEU A 513 0.392 -2.011 2.557 1.00 22.42 O ATOM 2120 CB LEU A 513 -1.377 -0.794 0.374 1.00 24.40 C ATOM 2121 CG LEU A 513 -2.715 -1.596 0.563 1.00 51.32 C ATOM 2122 CD1 LEU A 513 -3.911 -0.647 0.752 1.00 22.31 C ATOM 2123 CD2 LEU A 513 -2.974 -2.590 -0.584 1.00 65.13 C ATOM 0 H LEU A 513 0.879 0.391 0.575 1.00 3.02 H new ATOM 0 HA LEU A 513 -1.596 0.569 2.038 1.00 34.43 H new ATOM 0 HB2 LEU A 513 -1.534 -0.024 -0.381 1.00 24.40 H new ATOM 0 HB3 LEU A 513 -0.615 -1.470 -0.013 1.00 24.40 H new ATOM 0 HG LEU A 513 -2.600 -2.186 1.472 1.00 51.32 H new ATOM 0 HD11 LEU A 513 -4.822 -1.231 0.880 1.00 22.31 H new ATOM 0 HD12 LEU A 513 -3.749 -0.029 1.635 1.00 22.31 H new ATOM 0 HD13 LEU A 513 -4.010 -0.008 -0.125 1.00 22.31 H new ATOM 0 HD21 LEU A 513 -3.911 -3.118 -0.404 1.00 65.13 H new ATOM 0 HD22 LEU A 513 -3.038 -2.048 -1.528 1.00 65.13 H new ATOM 0 HD23 LEU A 513 -2.156 -3.309 -0.634 1.00 65.13 H new ATOM 2135 N LEU A 514 -1.367 -1.258 3.750 1.00 24.13 N ATOM 2136 CA LEU A 514 -1.339 -2.268 4.810 1.00 3.45 C ATOM 2137 C LEU A 514 -2.751 -2.848 4.982 1.00 5.53 C ATOM 2138 O LEU A 514 -3.707 -2.357 4.372 1.00 44.33 O ATOM 2139 CB LEU A 514 -0.816 -1.613 6.120 1.00 22.05 C ATOM 2140 CG LEU A 514 0.675 -1.146 6.059 1.00 45.20 C ATOM 2141 CD1 LEU A 514 1.057 -0.276 7.263 1.00 2.01 C ATOM 2142 CD2 LEU A 514 1.623 -2.356 5.925 1.00 55.24 C ATOM 0 H LEU A 514 -2.095 -0.558 3.891 1.00 24.13 H new ATOM 0 HA LEU A 514 -0.667 -3.087 4.553 1.00 3.45 H new ATOM 0 HB2 LEU A 514 -1.443 -0.754 6.358 1.00 22.05 H new ATOM 0 HB3 LEU A 514 -0.928 -2.325 6.937 1.00 22.05 H new ATOM 0 HG LEU A 514 0.784 -0.524 5.170 1.00 45.20 H new ATOM 0 HD11 LEU A 514 2.101 0.025 7.178 1.00 2.01 H new ATOM 0 HD12 LEU A 514 0.424 0.611 7.286 1.00 2.01 H new ATOM 0 HD13 LEU A 514 0.917 -0.845 8.182 1.00 2.01 H new ATOM 0 HD21 LEU A 514 2.655 -2.007 5.884 1.00 55.24 H new ATOM 0 HD22 LEU A 514 1.496 -3.014 6.784 1.00 55.24 H new ATOM 0 HD23 LEU A 514 1.389 -2.902 5.011 1.00 55.24 H new ATOM 2154 N TYR A 515 -2.890 -3.899 5.792 1.00 52.51 N ATOM 2155 CA TYR A 515 -4.198 -4.534 6.041 1.00 43.42 C ATOM 2156 C TYR A 515 -4.396 -4.832 7.541 1.00 42.14 C ATOM 2157 O TYR A 515 -3.520 -5.399 8.201 1.00 35.02 O ATOM 2158 CB TYR A 515 -4.334 -5.828 5.188 1.00 72.51 C ATOM 2159 CG TYR A 515 -5.591 -6.661 5.498 1.00 63.44 C ATOM 2160 CD1 TYR A 515 -6.866 -6.117 5.347 1.00 44.42 C ATOM 2161 CD2 TYR A 515 -5.496 -7.974 5.983 1.00 23.14 C ATOM 2162 CE1 TYR A 515 -7.989 -6.833 5.688 1.00 65.32 C ATOM 2163 CE2 TYR A 515 -6.625 -8.697 6.309 1.00 53.20 C ATOM 2164 CZ TYR A 515 -7.866 -8.121 6.166 1.00 40.12 C ATOM 2165 OH TYR A 515 -8.997 -8.826 6.525 1.00 74.13 O ATOM 0 H TYR A 515 -2.114 -4.334 6.291 1.00 52.51 H new ATOM 0 HA TYR A 515 -4.982 -3.839 5.742 1.00 43.42 H new ATOM 0 HB2 TYR A 515 -4.345 -5.554 4.133 1.00 72.51 H new ATOM 0 HB3 TYR A 515 -3.452 -6.449 5.347 1.00 72.51 H new ATOM 0 HD1 TYR A 515 -6.973 -5.116 4.956 1.00 44.42 H new ATOM 0 HD2 TYR A 515 -4.523 -8.426 6.103 1.00 23.14 H new ATOM 0 HE1 TYR A 515 -8.967 -6.387 5.582 1.00 65.32 H new ATOM 0 HE2 TYR A 515 -6.535 -9.709 6.674 1.00 53.20 H new ATOM 0 HH TYR A 515 -9.581 -8.927 5.745 1.00 74.13 H new ATOM 2175 N SER A 516 -5.568 -4.432 8.047 1.00 11.24 N ATOM 2176 CA SER A 516 -6.052 -4.780 9.389 1.00 24.43 C ATOM 2177 C SER A 516 -6.899 -6.064 9.317 1.00 12.21 C ATOM 2178 O SER A 516 -8.037 -6.030 8.849 1.00 11.03 O ATOM 2179 CB SER A 516 -6.909 -3.625 9.961 1.00 20.11 C ATOM 2180 OG SER A 516 -7.481 -3.968 11.218 1.00 4.34 O ATOM 0 H SER A 516 -6.220 -3.846 7.525 1.00 11.24 H new ATOM 0 HA SER A 516 -5.196 -4.945 10.043 1.00 24.43 H new ATOM 0 HB2 SER A 516 -6.291 -2.734 10.073 1.00 20.11 H new ATOM 0 HB3 SER A 516 -7.702 -3.376 9.256 1.00 20.11 H new ATOM 0 HG SER A 516 -7.879 -3.170 11.625 1.00 4.34 H new ATOM 2186 N SER A 517 -6.336 -7.193 9.774 1.00 10.43 N ATOM 2187 CA SER A 517 -7.067 -8.491 9.859 1.00 43.11 C ATOM 2188 C SER A 517 -8.170 -8.473 10.953 1.00 60.43 C ATOM 2189 O SER A 517 -8.992 -9.388 11.037 1.00 70.13 O ATOM 2190 CB SER A 517 -6.068 -9.646 10.117 1.00 4.42 C ATOM 2191 OG SER A 517 -5.294 -9.409 11.282 1.00 53.41 O ATOM 0 H SER A 517 -5.369 -7.245 10.096 1.00 10.43 H new ATOM 0 HA SER A 517 -7.566 -8.650 8.903 1.00 43.11 H new ATOM 0 HB2 SER A 517 -6.613 -10.584 10.225 1.00 4.42 H new ATOM 0 HB3 SER A 517 -5.408 -9.758 9.256 1.00 4.42 H new ATOM 0 HG SER A 517 -4.674 -10.155 11.420 1.00 53.41 H new ATOM 2197 N LYS A 518 -8.159 -7.420 11.785 1.00 2.10 N ATOM 2198 CA LYS A 518 -9.131 -7.203 12.878 1.00 21.54 C ATOM 2199 C LYS A 518 -10.383 -6.442 12.368 1.00 42.43 C ATOM 2200 O LYS A 518 -11.516 -6.872 12.594 1.00 12.35 O ATOM 2201 CB LYS A 518 -8.424 -6.412 14.012 1.00 24.35 C ATOM 2202 CG LYS A 518 -7.139 -7.103 14.521 1.00 71.24 C ATOM 2203 CD LYS A 518 -6.329 -6.239 15.514 1.00 42.11 C ATOM 2204 CE LYS A 518 -5.034 -6.946 15.965 1.00 13.11 C ATOM 2205 NZ LYS A 518 -4.202 -6.100 16.859 1.00 75.43 N ATOM 0 H LYS A 518 -7.462 -6.678 11.719 1.00 2.10 H new ATOM 0 HA LYS A 518 -9.475 -8.165 13.259 1.00 21.54 H new ATOM 0 HB2 LYS A 518 -8.174 -5.414 13.650 1.00 24.35 H new ATOM 0 HB3 LYS A 518 -9.116 -6.285 14.845 1.00 24.35 H new ATOM 0 HG2 LYS A 518 -7.408 -8.043 15.004 1.00 71.24 H new ATOM 0 HG3 LYS A 518 -6.507 -7.352 13.668 1.00 71.24 H new ATOM 0 HD2 LYS A 518 -6.079 -5.286 15.047 1.00 42.11 H new ATOM 0 HD3 LYS A 518 -6.943 -6.015 16.386 1.00 42.11 H new ATOM 0 HE2 LYS A 518 -5.291 -7.871 16.482 1.00 13.11 H new ATOM 0 HE3 LYS A 518 -4.451 -7.223 15.087 1.00 13.11 H new ATOM 0 HZ1 LYS A 518 -3.345 -6.622 17.132 1.00 75.43 H new ATOM 0 HZ2 LYS A 518 -3.932 -5.228 16.360 1.00 75.43 H new ATOM 0 HZ3 LYS A 518 -4.746 -5.857 17.712 1.00 75.43 H new ATOM 2219 N LYS A 519 -10.156 -5.311 11.669 1.00 72.31 N ATOM 2220 CA LYS A 519 -11.240 -4.439 11.128 1.00 14.44 C ATOM 2221 C LYS A 519 -11.665 -4.833 9.691 1.00 45.01 C ATOM 2222 O LYS A 519 -12.693 -4.354 9.204 1.00 3.35 O ATOM 2223 CB LYS A 519 -10.773 -2.958 11.136 1.00 51.51 C ATOM 2224 CG LYS A 519 -10.489 -2.364 12.533 1.00 32.24 C ATOM 2225 CD LYS A 519 -11.751 -2.298 13.430 1.00 70.51 C ATOM 2226 CE LYS A 519 -11.491 -1.548 14.748 1.00 12.11 C ATOM 2227 NZ LYS A 519 -12.701 -1.493 15.607 1.00 61.25 N ATOM 0 H LYS A 519 -9.218 -4.969 11.459 1.00 72.31 H new ATOM 0 HA LYS A 519 -12.108 -4.572 11.774 1.00 14.44 H new ATOM 0 HB2 LYS A 519 -9.868 -2.876 10.534 1.00 51.51 H new ATOM 0 HB3 LYS A 519 -11.536 -2.351 10.649 1.00 51.51 H new ATOM 0 HG2 LYS A 519 -9.728 -2.966 13.030 1.00 32.24 H new ATOM 0 HG3 LYS A 519 -10.078 -1.361 12.419 1.00 32.24 H new ATOM 0 HD2 LYS A 519 -12.556 -1.804 12.886 1.00 70.51 H new ATOM 0 HD3 LYS A 519 -12.090 -3.310 13.651 1.00 70.51 H new ATOM 0 HE2 LYS A 519 -10.683 -2.039 15.291 1.00 12.11 H new ATOM 0 HE3 LYS A 519 -11.157 -0.534 14.528 1.00 12.11 H new ATOM 0 HZ1 LYS A 519 -12.481 -0.979 16.484 1.00 61.25 H new ATOM 0 HZ2 LYS A 519 -13.465 -1.002 15.100 1.00 61.25 H new ATOM 0 HZ3 LYS A 519 -13.006 -2.460 15.839 1.00 61.25 H new ATOM 2241 N LYS A 520 -10.847 -5.678 9.028 1.00 74.33 N ATOM 2242 CA LYS A 520 -11.036 -6.104 7.610 1.00 62.03 C ATOM 2243 C LYS A 520 -10.926 -4.911 6.609 1.00 41.23 C ATOM 2244 O LYS A 520 -11.349 -5.017 5.454 1.00 73.44 O ATOM 2245 CB LYS A 520 -12.357 -6.929 7.404 1.00 22.42 C ATOM 2246 CG LYS A 520 -12.300 -8.395 7.922 1.00 63.13 C ATOM 2247 CD LYS A 520 -12.105 -8.510 9.456 1.00 15.32 C ATOM 2248 CE LYS A 520 -12.018 -9.970 9.938 1.00 2.41 C ATOM 2249 NZ LYS A 520 -13.264 -10.734 9.654 1.00 51.54 N ATOM 0 H LYS A 520 -10.023 -6.094 9.462 1.00 74.33 H new ATOM 0 HA LYS A 520 -10.210 -6.777 7.382 1.00 62.03 H new ATOM 0 HB2 LYS A 520 -13.173 -6.412 7.908 1.00 22.42 H new ATOM 0 HB3 LYS A 520 -12.597 -6.944 6.341 1.00 22.42 H new ATOM 0 HG2 LYS A 520 -13.222 -8.905 7.643 1.00 63.13 H new ATOM 0 HG3 LYS A 520 -11.484 -8.916 7.421 1.00 63.13 H new ATOM 0 HD2 LYS A 520 -11.195 -7.983 9.743 1.00 15.32 H new ATOM 0 HD3 LYS A 520 -12.934 -8.014 9.961 1.00 15.32 H new ATOM 0 HE2 LYS A 520 -11.175 -10.461 9.452 1.00 2.41 H new ATOM 0 HE3 LYS A 520 -11.821 -9.985 11.010 1.00 2.41 H new ATOM 0 HZ1 LYS A 520 -13.205 -11.672 10.099 1.00 51.54 H new ATOM 0 HZ2 LYS A 520 -14.082 -10.219 10.038 1.00 51.54 H new ATOM 0 HZ3 LYS A 520 -13.376 -10.845 8.626 1.00 51.54 H new ATOM 2263 N ILE A 521 -10.298 -3.800 7.059 1.00 12.31 N ATOM 2264 CA ILE A 521 -10.033 -2.610 6.214 1.00 53.03 C ATOM 2265 C ILE A 521 -8.565 -2.610 5.733 1.00 24.15 C ATOM 2266 O ILE A 521 -7.668 -3.068 6.451 1.00 3.35 O ATOM 2267 CB ILE A 521 -10.342 -1.253 6.977 1.00 30.32 C ATOM 2268 CG1 ILE A 521 -9.349 -1.010 8.167 1.00 42.50 C ATOM 2269 CG2 ILE A 521 -11.804 -1.230 7.476 1.00 33.14 C ATOM 2270 CD1 ILE A 521 -9.526 0.314 8.902 1.00 33.20 C ATOM 0 H ILE A 521 -9.961 -3.702 8.017 1.00 12.31 H new ATOM 0 HA ILE A 521 -10.703 -2.671 5.356 1.00 53.03 H new ATOM 0 HB ILE A 521 -10.201 -0.440 6.264 1.00 30.32 H new ATOM 0 HG12 ILE A 521 -9.461 -1.823 8.884 1.00 42.50 H new ATOM 0 HG13 ILE A 521 -8.330 -1.061 7.784 1.00 42.50 H new ATOM 0 HG21 ILE A 521 -11.996 -0.292 7.996 1.00 33.14 H new ATOM 0 HG22 ILE A 521 -12.480 -1.318 6.626 1.00 33.14 H new ATOM 0 HG23 ILE A 521 -11.969 -2.064 8.159 1.00 33.14 H new ATOM 0 HD11 ILE A 521 -8.793 0.385 9.705 1.00 33.20 H new ATOM 0 HD12 ILE A 521 -9.381 1.139 8.205 1.00 33.20 H new ATOM 0 HD13 ILE A 521 -10.531 0.366 9.322 1.00 33.20 H new ATOM 2282 N PHE A 522 -8.330 -2.113 4.514 1.00 11.41 N ATOM 2283 CA PHE A 522 -6.967 -1.877 3.996 1.00 62.11 C ATOM 2284 C PHE A 522 -6.560 -0.414 4.285 1.00 45.45 C ATOM 2285 O PHE A 522 -7.233 0.516 3.855 1.00 11.40 O ATOM 2286 CB PHE A 522 -6.902 -2.191 2.475 1.00 25.01 C ATOM 2287 CG PHE A 522 -7.096 -3.672 2.129 1.00 54.15 C ATOM 2288 CD1 PHE A 522 -8.372 -4.237 2.058 1.00 22.15 C ATOM 2289 CD2 PHE A 522 -6.001 -4.499 1.865 1.00 40.13 C ATOM 2290 CE1 PHE A 522 -8.545 -5.574 1.746 1.00 65.14 C ATOM 2291 CE2 PHE A 522 -6.175 -5.836 1.555 1.00 61.12 C ATOM 2292 CZ PHE A 522 -7.445 -6.373 1.489 1.00 51.22 C ATOM 0 H PHE A 522 -9.070 -1.863 3.858 1.00 11.41 H new ATOM 0 HA PHE A 522 -6.264 -2.542 4.498 1.00 62.11 H new ATOM 0 HB2 PHE A 522 -7.666 -1.607 1.962 1.00 25.01 H new ATOM 0 HB3 PHE A 522 -5.937 -1.863 2.089 1.00 25.01 H new ATOM 0 HD1 PHE A 522 -9.237 -3.620 2.250 1.00 22.15 H new ATOM 0 HD2 PHE A 522 -5.003 -4.088 1.904 1.00 40.13 H new ATOM 0 HE1 PHE A 522 -9.539 -5.994 1.703 1.00 65.14 H new ATOM 0 HE2 PHE A 522 -5.315 -6.461 1.364 1.00 61.12 H new ATOM 0 HZ PHE A 522 -7.580 -7.415 1.237 1.00 51.22 H new ATOM 2302 N MET A 523 -5.482 -0.231 5.062 1.00 23.31 N ATOM 2303 CA MET A 523 -4.965 1.108 5.447 1.00 42.42 C ATOM 2304 C MET A 523 -3.949 1.634 4.405 1.00 62.35 C ATOM 2305 O MET A 523 -3.387 0.862 3.636 1.00 64.30 O ATOM 2306 CB MET A 523 -4.323 1.031 6.866 1.00 73.44 C ATOM 2307 CG MET A 523 -5.280 0.512 7.953 1.00 52.33 C ATOM 2308 SD MET A 523 -4.554 0.514 9.611 1.00 63.32 S ATOM 2309 CE MET A 523 -5.959 0.018 10.616 1.00 35.21 C ATOM 0 H MET A 523 -4.937 -1.003 5.446 1.00 23.31 H new ATOM 0 HA MET A 523 -5.796 1.813 5.473 1.00 42.42 H new ATOM 0 HB2 MET A 523 -3.449 0.381 6.824 1.00 73.44 H new ATOM 0 HB3 MET A 523 -3.970 2.023 7.149 1.00 73.44 H new ATOM 0 HG2 MET A 523 -6.180 1.127 7.958 1.00 52.33 H new ATOM 0 HG3 MET A 523 -5.588 -0.503 7.701 1.00 52.33 H new ATOM 0 HE1 MET A 523 -5.626 -0.671 11.392 1.00 35.21 H new ATOM 0 HE2 MET A 523 -6.404 0.899 11.079 1.00 35.21 H new ATOM 0 HE3 MET A 523 -6.700 -0.475 9.987 1.00 35.21 H new ATOM 2319 N GLY A 524 -3.720 2.958 4.394 1.00 35.35 N ATOM 2320 CA GLY A 524 -2.792 3.592 3.445 1.00 11.24 C ATOM 2321 C GLY A 524 -2.020 4.751 4.074 1.00 53.02 C ATOM 2322 O GLY A 524 -2.521 5.876 4.143 1.00 44.51 O ATOM 0 H GLY A 524 -4.168 3.612 5.036 1.00 35.35 H new ATOM 0 HA2 GLY A 524 -2.087 2.847 3.077 1.00 11.24 H new ATOM 0 HA3 GLY A 524 -3.350 3.956 2.583 1.00 11.24 H new ATOM 2326 N LEU A 525 -0.798 4.469 4.544 1.00 44.33 N ATOM 2327 CA LEU A 525 0.079 5.478 5.174 1.00 11.30 C ATOM 2328 C LEU A 525 0.794 6.331 4.101 1.00 62.43 C ATOM 2329 O LEU A 525 1.727 5.870 3.443 1.00 53.43 O ATOM 2330 CB LEU A 525 1.091 4.757 6.122 1.00 61.11 C ATOM 2331 CG LEU A 525 0.512 4.384 7.530 1.00 62.33 C ATOM 2332 CD1 LEU A 525 1.363 3.317 8.242 1.00 44.03 C ATOM 2333 CD2 LEU A 525 0.373 5.657 8.405 1.00 62.24 C ATOM 0 H LEU A 525 -0.385 3.537 4.501 1.00 44.33 H new ATOM 0 HA LEU A 525 -0.521 6.166 5.770 1.00 11.30 H new ATOM 0 HB2 LEU A 525 1.441 3.847 5.634 1.00 61.11 H new ATOM 0 HB3 LEU A 525 1.961 5.399 6.260 1.00 61.11 H new ATOM 0 HG LEU A 525 -0.476 3.950 7.378 1.00 62.33 H new ATOM 0 HD11 LEU A 525 0.924 3.090 9.213 1.00 44.03 H new ATOM 0 HD12 LEU A 525 1.392 2.411 7.636 1.00 44.03 H new ATOM 0 HD13 LEU A 525 2.377 3.693 8.381 1.00 44.03 H new ATOM 0 HD21 LEU A 525 -0.030 5.386 9.381 1.00 62.24 H new ATOM 0 HD22 LEU A 525 1.352 6.119 8.533 1.00 62.24 H new ATOM 0 HD23 LEU A 525 -0.300 6.362 7.917 1.00 62.24 H new ATOM 2345 N ILE A 526 0.333 7.588 3.954 1.00 42.21 N ATOM 2346 CA ILE A 526 0.861 8.554 2.975 1.00 24.32 C ATOM 2347 C ILE A 526 1.855 9.526 3.663 1.00 3.13 C ATOM 2348 O ILE A 526 1.417 10.412 4.420 1.00 1.50 O ATOM 2349 CB ILE A 526 -0.309 9.383 2.310 1.00 30.22 C ATOM 2350 CG1 ILE A 526 -1.387 8.428 1.695 1.00 60.14 C ATOM 2351 CG2 ILE A 526 0.248 10.365 1.248 1.00 22.43 C ATOM 2352 CD1 ILE A 526 -2.534 9.124 0.984 1.00 10.32 C ATOM 0 H ILE A 526 -0.427 7.965 4.520 1.00 42.21 H new ATOM 0 HA ILE A 526 1.379 7.993 2.197 1.00 24.32 H new ATOM 0 HB ILE A 526 -0.795 9.974 3.086 1.00 30.22 H new ATOM 0 HG12 ILE A 526 -0.896 7.758 0.990 1.00 60.14 H new ATOM 0 HG13 ILE A 526 -1.797 7.807 2.492 1.00 60.14 H new ATOM 0 HG21 ILE A 526 -0.575 10.925 0.803 1.00 22.43 H new ATOM 0 HG22 ILE A 526 0.944 11.057 1.722 1.00 22.43 H new ATOM 0 HG23 ILE A 526 0.767 9.804 0.471 1.00 22.43 H new ATOM 0 HD11 ILE A 526 -3.226 8.378 0.593 1.00 10.32 H new ATOM 0 HD12 ILE A 526 -3.058 9.772 1.686 1.00 10.32 H new ATOM 0 HD13 ILE A 526 -2.143 9.722 0.161 1.00 10.32 H new ATOM 2364 N PRO A 527 3.204 9.365 3.448 1.00 61.45 N ATOM 2365 CA PRO A 527 4.225 10.278 4.033 1.00 33.43 C ATOM 2366 C PRO A 527 4.095 11.735 3.540 1.00 43.22 C ATOM 2367 O PRO A 527 3.504 12.005 2.491 1.00 33.23 O ATOM 2368 CB PRO A 527 5.583 9.652 3.586 1.00 75.31 C ATOM 2369 CG PRO A 527 5.245 8.233 3.237 1.00 23.04 C ATOM 2370 CD PRO A 527 3.849 8.280 2.666 1.00 54.32 C ATOM 0 HA PRO A 527 4.116 10.354 5.115 1.00 33.43 H new ATOM 0 HB2 PRO A 527 6.002 10.182 2.731 1.00 75.31 H new ATOM 0 HB3 PRO A 527 6.324 9.699 4.384 1.00 75.31 H new ATOM 0 HG2 PRO A 527 5.952 7.828 2.513 1.00 23.04 H new ATOM 0 HG3 PRO A 527 5.288 7.592 4.117 1.00 23.04 H new ATOM 0 HD2 PRO A 527 3.857 8.502 1.599 1.00 54.32 H new ATOM 0 HD3 PRO A 527 3.330 7.330 2.790 1.00 54.32 H new ATOM 2378 N TYR A 528 4.610 12.669 4.336 1.00 41.22 N ATOM 2379 CA TYR A 528 4.780 14.078 3.922 1.00 32.33 C ATOM 2380 C TYR A 528 6.204 14.304 3.359 1.00 40.43 C ATOM 2381 O TYR A 528 6.467 15.283 2.654 1.00 2.32 O ATOM 2382 CB TYR A 528 4.511 14.997 5.136 1.00 55.30 C ATOM 2383 CG TYR A 528 3.205 14.659 5.871 1.00 33.01 C ATOM 2384 CD1 TYR A 528 1.974 14.766 5.224 1.00 13.33 C ATOM 2385 CD2 TYR A 528 3.203 14.230 7.200 1.00 61.14 C ATOM 2386 CE1 TYR A 528 0.797 14.457 5.871 1.00 13.04 C ATOM 2387 CE2 TYR A 528 2.027 13.920 7.849 1.00 31.43 C ATOM 2388 CZ TYR A 528 0.826 14.043 7.185 1.00 55.20 C ATOM 2389 OH TYR A 528 -0.353 13.751 7.837 1.00 3.12 O ATOM 0 H TYR A 528 4.924 12.480 5.288 1.00 41.22 H new ATOM 0 HA TYR A 528 4.069 14.318 3.131 1.00 32.33 H new ATOM 0 HB2 TYR A 528 5.344 14.919 5.834 1.00 55.30 H new ATOM 0 HB3 TYR A 528 4.473 16.033 4.799 1.00 55.30 H new ATOM 0 HD1 TYR A 528 1.943 15.097 4.197 1.00 13.33 H new ATOM 0 HD2 TYR A 528 4.140 14.139 7.729 1.00 61.14 H new ATOM 0 HE1 TYR A 528 -0.145 14.539 5.350 1.00 13.04 H new ATOM 0 HE2 TYR A 528 2.047 13.582 8.875 1.00 31.43 H new ATOM 0 HH TYR A 528 -0.158 13.473 8.756 1.00 3.12 H new ATOM 2399 N ASP A 529 7.111 13.374 3.703 1.00 4.52 N ATOM 2400 CA ASP A 529 8.524 13.401 3.277 1.00 1.43 C ATOM 2401 C ASP A 529 8.697 12.955 1.810 1.00 34.21 C ATOM 2402 O ASP A 529 9.433 13.593 1.060 1.00 53.20 O ATOM 2403 CB ASP A 529 9.365 12.484 4.204 1.00 21.25 C ATOM 2404 CG ASP A 529 9.177 12.834 5.682 1.00 20.32 C ATOM 2405 OD1 ASP A 529 8.193 12.365 6.285 1.00 50.40 O ATOM 2406 OD2 ASP A 529 9.992 13.605 6.237 1.00 42.23 O ATOM 0 H ASP A 529 6.883 12.573 4.291 1.00 4.52 H new ATOM 0 HA ASP A 529 8.872 14.431 3.351 1.00 1.43 H new ATOM 0 HB2 ASP A 529 9.082 11.444 4.039 1.00 21.25 H new ATOM 0 HB3 ASP A 529 10.419 12.573 3.942 1.00 21.25 H new ATOM 2411 N GLN A 530 8.014 11.844 1.436 1.00 33.14 N ATOM 2412 CA GLN A 530 8.187 11.153 0.126 1.00 24.42 C ATOM 2413 C GLN A 530 9.646 10.666 -0.090 1.00 2.22 C ATOM 2414 O GLN A 530 9.928 9.481 0.079 1.00 22.14 O ATOM 2415 CB GLN A 530 7.692 12.027 -1.079 1.00 62.51 C ATOM 2416 CG GLN A 530 6.224 11.818 -1.503 1.00 22.34 C ATOM 2417 CD GLN A 530 5.210 11.928 -0.364 1.00 73.44 C ATOM 2418 OE1 GLN A 530 4.753 13.014 -0.029 1.00 5.20 O ATOM 2419 NE2 GLN A 530 4.809 10.803 0.203 1.00 43.02 N ATOM 0 H GLN A 530 7.322 11.397 2.037 1.00 33.14 H new ATOM 0 HA GLN A 530 7.551 10.268 0.162 1.00 24.42 H new ATOM 0 HB2 GLN A 530 7.830 13.077 -0.822 1.00 62.51 H new ATOM 0 HB3 GLN A 530 8.331 11.822 -1.938 1.00 62.51 H new ATOM 0 HG2 GLN A 530 5.972 12.553 -2.268 1.00 22.34 H new ATOM 0 HG3 GLN A 530 6.129 10.834 -1.963 1.00 22.34 H new ATOM 0 HE21 GLN A 530 5.206 9.912 -0.095 1.00 43.02 H new ATOM 0 HE22 GLN A 530 4.103 10.826 0.938 1.00 43.02 H new ATOM 2428 N SER A 531 10.553 11.602 -0.445 1.00 64.35 N ATOM 2429 CA SER A 531 11.995 11.321 -0.669 1.00 10.21 C ATOM 2430 C SER A 531 12.657 10.633 0.554 1.00 60.33 C ATOM 2431 O SER A 531 13.373 9.643 0.394 1.00 0.03 O ATOM 2432 CB SER A 531 12.740 12.632 -0.999 1.00 35.34 C ATOM 2433 OG SER A 531 12.215 13.243 -2.167 1.00 62.24 O ATOM 0 H SER A 531 10.307 12.582 -0.586 1.00 64.35 H new ATOM 0 HA SER A 531 12.066 10.631 -1.510 1.00 10.21 H new ATOM 0 HB2 SER A 531 12.659 13.321 -0.158 1.00 35.34 H new ATOM 0 HB3 SER A 531 13.801 12.425 -1.140 1.00 35.34 H new ATOM 0 HG SER A 531 12.705 14.072 -2.351 1.00 62.24 H new ATOM 2439 N GLY A 532 12.371 11.161 1.765 1.00 10.34 N ATOM 2440 CA GLY A 532 12.863 10.575 3.030 1.00 70.44 C ATOM 2441 C GLY A 532 12.400 9.128 3.270 1.00 24.20 C ATOM 2442 O GLY A 532 13.168 8.291 3.757 1.00 61.41 O ATOM 0 H GLY A 532 11.799 11.996 1.892 1.00 10.34 H new ATOM 0 HA2 GLY A 532 13.953 10.602 3.032 1.00 70.44 H new ATOM 0 HA3 GLY A 532 12.528 11.196 3.861 1.00 70.44 H new ATOM 2446 N PHE A 533 11.136 8.840 2.900 1.00 50.13 N ATOM 2447 CA PHE A 533 10.558 7.478 2.990 1.00 72.44 C ATOM 2448 C PHE A 533 11.227 6.511 1.972 1.00 3.43 C ATOM 2449 O PHE A 533 11.572 5.380 2.321 1.00 75.11 O ATOM 2450 CB PHE A 533 9.024 7.543 2.765 1.00 24.33 C ATOM 2451 CG PHE A 533 8.287 6.205 2.904 1.00 15.41 C ATOM 2452 CD1 PHE A 533 8.276 5.519 4.118 1.00 42.32 C ATOM 2453 CD2 PHE A 533 7.593 5.642 1.827 1.00 42.03 C ATOM 2454 CE1 PHE A 533 7.599 4.321 4.251 1.00 60.14 C ATOM 2455 CE2 PHE A 533 6.918 4.441 1.962 1.00 60.02 C ATOM 2456 CZ PHE A 533 6.924 3.780 3.174 1.00 24.11 C ATOM 0 H PHE A 533 10.489 9.537 2.533 1.00 50.13 H new ATOM 0 HA PHE A 533 10.753 7.085 3.988 1.00 72.44 H new ATOM 0 HB2 PHE A 533 8.598 8.250 3.477 1.00 24.33 H new ATOM 0 HB3 PHE A 533 8.836 7.942 1.768 1.00 24.33 H new ATOM 0 HD1 PHE A 533 8.804 5.929 4.966 1.00 42.32 H new ATOM 0 HD2 PHE A 533 7.584 6.153 0.875 1.00 42.03 H new ATOM 0 HE1 PHE A 533 7.598 3.806 5.200 1.00 60.14 H new ATOM 0 HE2 PHE A 533 6.387 4.022 1.120 1.00 60.02 H new ATOM 0 HZ PHE A 533 6.401 2.841 3.280 1.00 24.11 H new ATOM 2466 N VAL A 534 11.438 6.997 0.730 1.00 55.32 N ATOM 2467 CA VAL A 534 12.073 6.214 -0.362 1.00 12.44 C ATOM 2468 C VAL A 534 13.571 5.915 -0.057 1.00 1.02 C ATOM 2469 O VAL A 534 14.101 4.900 -0.506 1.00 21.41 O ATOM 2470 CB VAL A 534 11.915 6.951 -1.755 1.00 50.44 C ATOM 2471 CG1 VAL A 534 12.634 6.201 -2.909 1.00 72.32 C ATOM 2472 CG2 VAL A 534 10.417 7.156 -2.102 1.00 41.23 C ATOM 0 H VAL A 534 11.175 7.942 0.452 1.00 55.32 H new ATOM 0 HA VAL A 534 11.554 5.258 -0.423 1.00 12.44 H new ATOM 0 HB VAL A 534 12.395 7.924 -1.651 1.00 50.44 H new ATOM 0 HG11 VAL A 534 12.494 6.748 -3.841 1.00 72.32 H new ATOM 0 HG12 VAL A 534 13.699 6.127 -2.687 1.00 72.32 H new ATOM 0 HG13 VAL A 534 12.214 5.200 -3.010 1.00 72.32 H new ATOM 0 HG21 VAL A 534 10.332 7.664 -3.063 1.00 41.23 H new ATOM 0 HG22 VAL A 534 9.921 6.187 -2.159 1.00 41.23 H new ATOM 0 HG23 VAL A 534 9.944 7.761 -1.329 1.00 41.23 H new ATOM 2482 N ASN A 535 14.229 6.789 0.737 1.00 35.25 N ATOM 2483 CA ASN A 535 15.612 6.547 1.234 1.00 10.51 C ATOM 2484 C ASN A 535 15.692 5.248 2.075 1.00 54.45 C ATOM 2485 O ASN A 535 16.690 4.522 2.023 1.00 54.30 O ATOM 2486 CB ASN A 535 16.127 7.756 2.061 1.00 21.34 C ATOM 2487 CG ASN A 535 16.314 9.028 1.233 1.00 55.12 C ATOM 2488 OD1 ASN A 535 16.629 8.978 0.045 1.00 2.34 O ATOM 2489 ND2 ASN A 535 16.137 10.178 1.852 1.00 74.32 N ATOM 0 H ASN A 535 13.827 7.672 1.051 1.00 35.25 H new ATOM 0 HA ASN A 535 16.254 6.426 0.361 1.00 10.51 H new ATOM 0 HB2 ASN A 535 15.424 7.959 2.869 1.00 21.34 H new ATOM 0 HB3 ASN A 535 17.077 7.491 2.524 1.00 21.34 H new ATOM 0 HD21 ASN A 535 16.261 11.054 1.345 1.00 74.32 H new ATOM 0 HD22 ASN A 535 15.876 10.192 2.838 1.00 74.32 H new ATOM 2496 N GLY A 536 14.636 4.991 2.865 1.00 74.12 N ATOM 2497 CA GLY A 536 14.464 3.713 3.572 1.00 51.04 C ATOM 2498 C GLY A 536 13.990 2.553 2.670 1.00 11.13 C ATOM 2499 O GLY A 536 14.471 1.423 2.792 1.00 31.43 O ATOM 0 H GLY A 536 13.883 5.659 3.030 1.00 74.12 H new ATOM 0 HA2 GLY A 536 15.411 3.436 4.035 1.00 51.04 H new ATOM 0 HA3 GLY A 536 13.743 3.850 4.378 1.00 51.04 H new ATOM 2503 N ILE A 537 13.030 2.845 1.767 1.00 2.53 N ATOM 2504 CA ILE A 537 12.402 1.836 0.869 1.00 51.05 C ATOM 2505 C ILE A 537 13.409 1.218 -0.134 1.00 1.53 C ATOM 2506 O ILE A 537 13.341 0.017 -0.425 1.00 62.10 O ATOM 2507 CB ILE A 537 11.153 2.469 0.123 1.00 4.44 C ATOM 2508 CG1 ILE A 537 9.990 2.721 1.132 1.00 71.42 C ATOM 2509 CG2 ILE A 537 10.647 1.625 -1.076 1.00 12.40 C ATOM 2510 CD1 ILE A 537 9.392 1.458 1.748 1.00 21.13 C ATOM 0 H ILE A 537 12.663 3.788 1.635 1.00 2.53 H new ATOM 0 HA ILE A 537 12.057 1.013 1.494 1.00 51.05 H new ATOM 0 HB ILE A 537 11.497 3.416 -0.294 1.00 4.44 H new ATOM 0 HG12 ILE A 537 10.356 3.361 1.934 1.00 71.42 H new ATOM 0 HG13 ILE A 537 9.198 3.270 0.622 1.00 71.42 H new ATOM 0 HG21 ILE A 537 9.792 2.121 -1.535 1.00 12.40 H new ATOM 0 HG22 ILE A 537 11.445 1.522 -1.811 1.00 12.40 H new ATOM 0 HG23 ILE A 537 10.348 0.637 -0.725 1.00 12.40 H new ATOM 0 HD11 ILE A 537 8.592 1.732 2.435 1.00 21.13 H new ATOM 0 HD12 ILE A 537 8.990 0.823 0.958 1.00 21.13 H new ATOM 0 HD13 ILE A 537 10.167 0.916 2.291 1.00 21.13 H new ATOM 2522 N ARG A 538 14.371 2.029 -0.607 1.00 45.43 N ATOM 2523 CA ARG A 538 15.417 1.582 -1.561 1.00 73.32 C ATOM 2524 C ARG A 538 16.358 0.511 -0.938 1.00 12.32 C ATOM 2525 O ARG A 538 16.995 -0.258 -1.653 1.00 51.41 O ATOM 2526 CB ARG A 538 16.236 2.796 -2.069 1.00 4.31 C ATOM 2527 CG ARG A 538 17.113 3.472 -0.998 1.00 15.00 C ATOM 2528 CD ARG A 538 17.800 4.748 -1.505 1.00 44.12 C ATOM 2529 NE ARG A 538 18.556 5.422 -0.433 1.00 73.33 N ATOM 2530 CZ ARG A 538 19.099 6.616 -0.505 1.00 53.51 C ATOM 2531 NH1 ARG A 538 18.996 7.350 -1.574 1.00 4.24 N ATOM 2532 NH2 ARG A 538 19.742 7.078 0.515 1.00 31.53 N ATOM 0 H ARG A 538 14.451 3.011 -0.344 1.00 45.43 H new ATOM 0 HA ARG A 538 14.911 1.114 -2.406 1.00 73.32 H new ATOM 0 HB2 ARG A 538 16.875 2.469 -2.889 1.00 4.31 H new ATOM 0 HB3 ARG A 538 15.548 3.537 -2.477 1.00 4.31 H new ATOM 0 HG2 ARG A 538 16.497 3.717 -0.133 1.00 15.00 H new ATOM 0 HG3 ARG A 538 17.872 2.767 -0.660 1.00 15.00 H new ATOM 0 HD2 ARG A 538 18.474 4.498 -2.324 1.00 44.12 H new ATOM 0 HD3 ARG A 538 17.051 5.430 -1.906 1.00 44.12 H new ATOM 0 HE ARG A 538 18.667 4.915 0.445 1.00 73.33 H new ATOM 0 HH11 ARG A 538 18.483 7.002 -2.384 1.00 4.24 H new ATOM 0 HH12 ARG A 538 19.428 8.274 -1.602 1.00 4.24 H new ATOM 0 HH21 ARG A 538 19.823 6.517 1.363 1.00 31.53 H new ATOM 0 HH22 ARG A 538 20.168 8.004 0.473 1.00 31.53 H new ATOM 2546 N GLN A 539 16.425 0.490 0.408 1.00 52.44 N ATOM 2547 CA GLN A 539 17.213 -0.500 1.181 1.00 52.34 C ATOM 2548 C GLN A 539 16.493 -1.875 1.250 1.00 4.31 C ATOM 2549 O GLN A 539 17.143 -2.919 1.386 1.00 33.20 O ATOM 2550 CB GLN A 539 17.434 0.046 2.619 1.00 11.20 C ATOM 2551 CG GLN A 539 18.124 1.433 2.682 1.00 15.11 C ATOM 2552 CD GLN A 539 18.229 2.014 4.103 1.00 3.14 C ATOM 2553 OE1 GLN A 539 18.321 1.283 5.083 1.00 33.35 O ATOM 2554 NE2 GLN A 539 18.227 3.331 4.223 1.00 21.34 N ATOM 0 H GLN A 539 15.932 1.162 0.996 1.00 52.44 H new ATOM 0 HA GLN A 539 18.169 -0.650 0.678 1.00 52.34 H new ATOM 0 HB2 GLN A 539 16.469 0.111 3.121 1.00 11.20 H new ATOM 0 HB3 GLN A 539 18.036 -0.671 3.177 1.00 11.20 H new ATOM 0 HG2 GLN A 539 19.125 1.349 2.260 1.00 15.11 H new ATOM 0 HG3 GLN A 539 17.571 2.132 2.054 1.00 15.11 H new ATOM 0 HE21 GLN A 539 18.149 3.919 3.393 1.00 21.34 H new ATOM 0 HE22 GLN A 539 18.303 3.759 5.146 1.00 21.34 H new ATOM 2563 N VAL A 540 15.145 -1.858 1.153 1.00 20.45 N ATOM 2564 CA VAL A 540 14.283 -3.053 1.373 1.00 44.54 C ATOM 2565 C VAL A 540 13.410 -3.417 0.129 1.00 10.21 C ATOM 2566 O VAL A 540 12.360 -4.062 0.254 1.00 24.13 O ATOM 2567 CB VAL A 540 13.377 -2.833 2.641 1.00 4.21 C ATOM 2568 CG1 VAL A 540 14.229 -2.797 3.940 1.00 73.41 C ATOM 2569 CG2 VAL A 540 12.510 -1.552 2.519 1.00 31.31 C ATOM 0 H VAL A 540 14.618 -1.016 0.920 1.00 20.45 H new ATOM 0 HA VAL A 540 14.948 -3.901 1.538 1.00 44.54 H new ATOM 0 HB VAL A 540 12.699 -3.684 2.699 1.00 4.21 H new ATOM 0 HG11 VAL A 540 13.576 -2.644 4.799 1.00 73.41 H new ATOM 0 HG12 VAL A 540 14.761 -3.742 4.052 1.00 73.41 H new ATOM 0 HG13 VAL A 540 14.948 -1.980 3.881 1.00 73.41 H new ATOM 0 HG21 VAL A 540 11.900 -1.439 3.415 1.00 31.31 H new ATOM 0 HG22 VAL A 540 13.159 -0.683 2.409 1.00 31.31 H new ATOM 0 HG23 VAL A 540 11.861 -1.633 1.647 1.00 31.31 H new