USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 575 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 35 SER OG : rot -68:sc= 0.368 USER MOD Set 1.2: A 66 ASN : amide:sc= 1.63 K(o=2,f=0.062) USER MOD Set 2.1: A 30 ASN : amide:sc= 2.11 K(o=3.3,f=-6.5!) USER MOD Set 2.2: A 98 LYS NZ :NH3+ 165:sc= 1.22 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -4.08! C(o=-4.1!,f=-7.2!) USER MOD Single : A 34 HIS : no HD1:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -130:sc= -0.317 (180deg=-0.738) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0.00418 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.573 K(o=0.57,f=-0.27) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 63 THR OG1 : rot -60:sc= 1.05 USER MOD Single : A 64 GLN : amide:sc= 0.456 K(o=0.46,f=-0.064) USER MOD Single : A 73 GLN : amide:sc= -0.656 X(o=-0.66,f=-0.65) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00729 USER MOD Single : A 81 GLN : amide:sc= 0.386 K(o=0.39,f=-0.4) USER MOD Single : A 84 GLN : amide:sc= -0.448 X(o=-0.45,f=-0.17) USER MOD Single : A 87 GLN : amide:sc= -0.0238 K(o=-0.024,f=-0.62) USER MOD Single : A 90 HIS : no HE2:sc= 0.765 K(o=0.77,f=-2.5!) USER MOD Single : A 94 THR OG1 : rot 68:sc= 1.25 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0774 USER MOD Single : A 101 ASN : amide:sc= 0.444 K(o=0.44,f=-4.3!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 280 N ASP A 24 -4.245 9.856 5.211 1.00 43.12 N ATOM 281 CA ASP A 24 -3.294 8.985 5.883 1.00 52.41 C ATOM 282 C ASP A 24 -2.812 7.980 4.851 1.00 74.14 C ATOM 283 O ASP A 24 -3.558 7.615 3.933 1.00 41.11 O ATOM 284 CB ASP A 24 -3.898 8.338 7.127 1.00 12.31 C ATOM 285 CG ASP A 24 -4.298 9.303 8.252 1.00 41.31 C ATOM 286 OD1 ASP A 24 -5.299 10.033 8.091 1.00 21.33 O ATOM 287 OD2 ASP A 24 -3.630 9.332 9.314 1.00 54.40 O ATOM 0 HA ASP A 24 -2.443 9.550 6.263 1.00 52.41 H new ATOM 0 HB2 ASP A 24 -4.780 7.772 6.828 1.00 12.31 H new ATOM 0 HB3 ASP A 24 -3.180 7.621 7.526 1.00 12.31 H new ATOM 291 N THR A 25 -1.543 7.600 4.961 1.00 63.03 N ATOM 292 CA THR A 25 -0.783 6.883 3.954 1.00 21.42 C ATOM 293 C THR A 25 0.296 6.106 4.704 1.00 1.43 C ATOM 294 O THR A 25 1.125 6.709 5.393 1.00 62.34 O ATOM 295 CB THR A 25 -0.128 7.880 2.978 1.00 52.12 C ATOM 296 OG1 THR A 25 -1.085 8.711 2.347 1.00 2.35 O ATOM 297 CG2 THR A 25 0.630 7.121 1.891 1.00 70.01 C ATOM 0 H THR A 25 -0.994 7.795 5.798 1.00 63.03 H new ATOM 0 HA THR A 25 -1.423 6.218 3.373 1.00 21.42 H new ATOM 0 HB THR A 25 0.548 8.503 3.564 1.00 52.12 H new ATOM 0 HG1 THR A 25 -0.630 9.330 1.738 1.00 2.35 H new ATOM 0 HG21 THR A 25 1.090 7.832 1.205 1.00 70.01 H new ATOM 0 HG22 THR A 25 1.404 6.506 2.349 1.00 70.01 H new ATOM 0 HG23 THR A 25 -0.063 6.483 1.342 1.00 70.01 H new ATOM 305 N ILE A 26 0.308 4.783 4.580 1.00 2.55 N ATOM 306 CA ILE A 26 1.383 3.966 5.132 1.00 70.24 C ATOM 307 C ILE A 26 2.464 3.886 4.045 1.00 65.23 C ATOM 308 O ILE A 26 2.150 3.740 2.861 1.00 21.45 O ATOM 309 CB ILE A 26 0.806 2.617 5.626 1.00 73.42 C ATOM 310 CG1 ILE A 26 -0.251 2.812 6.743 1.00 52.40 C ATOM 311 CG2 ILE A 26 1.899 1.628 6.065 1.00 2.15 C ATOM 312 CD1 ILE A 26 0.287 3.377 8.049 1.00 14.54 C ATOM 0 H ILE A 26 -0.418 4.252 4.100 1.00 2.55 H new ATOM 0 HA ILE A 26 1.853 4.387 6.021 1.00 70.24 H new ATOM 0 HB ILE A 26 0.303 2.174 4.766 1.00 73.42 H new ATOM 0 HG12 ILE A 26 -1.031 3.477 6.372 1.00 52.40 H new ATOM 0 HG13 ILE A 26 -0.722 1.851 6.948 1.00 52.40 H new ATOM 0 HG21 ILE A 26 1.436 0.700 6.401 1.00 2.15 H new ATOM 0 HG22 ILE A 26 2.560 1.420 5.224 1.00 2.15 H new ATOM 0 HG23 ILE A 26 2.476 2.062 6.881 1.00 2.15 H new ATOM 0 HD11 ILE A 26 -0.528 3.476 8.766 1.00 14.54 H new ATOM 0 HD12 ILE A 26 1.044 2.705 8.452 1.00 14.54 H new ATOM 0 HD13 ILE A 26 0.731 4.356 7.867 1.00 14.54 H new ATOM 323 N ILE A 27 3.734 4.023 4.435 1.00 52.53 N ATOM 324 CA ILE A 27 4.902 3.901 3.560 1.00 64.00 C ATOM 325 C ILE A 27 5.671 2.672 4.028 1.00 23.44 C ATOM 326 O ILE A 27 5.778 2.450 5.234 1.00 5.43 O ATOM 327 CB ILE A 27 5.742 5.201 3.605 1.00 1.55 C ATOM 328 CG1 ILE A 27 6.928 5.229 2.608 1.00 1.32 C ATOM 329 CG2 ILE A 27 6.317 5.502 4.999 1.00 34.24 C ATOM 330 CD1 ILE A 27 6.944 6.496 1.748 1.00 74.22 C ATOM 0 H ILE A 27 3.985 4.229 5.402 1.00 52.53 H new ATOM 0 HA ILE A 27 4.622 3.771 2.515 1.00 64.00 H new ATOM 0 HB ILE A 27 5.016 5.962 3.320 1.00 1.55 H new ATOM 0 HG12 ILE A 27 7.865 5.158 3.161 1.00 1.32 H new ATOM 0 HG13 ILE A 27 6.873 4.355 1.959 1.00 1.32 H new ATOM 0 HG21 ILE A 27 6.895 6.425 4.963 1.00 34.24 H new ATOM 0 HG22 ILE A 27 5.501 5.613 5.713 1.00 34.24 H new ATOM 0 HG23 ILE A 27 6.963 4.682 5.311 1.00 34.24 H new ATOM 0 HD11 ILE A 27 7.795 6.463 1.068 1.00 74.22 H new ATOM 0 HD12 ILE A 27 6.021 6.556 1.172 1.00 74.22 H new ATOM 0 HD13 ILE A 27 7.027 7.372 2.392 1.00 74.22 H new ATOM 341 N LEU A 28 6.189 1.862 3.109 1.00 34.21 N ATOM 342 CA LEU A 28 7.016 0.722 3.487 1.00 63.44 C ATOM 343 C LEU A 28 8.483 1.162 3.528 1.00 13.31 C ATOM 344 O LEU A 28 8.838 2.129 2.852 1.00 22.02 O ATOM 345 CB LEU A 28 6.839 -0.467 2.534 1.00 51.41 C ATOM 346 CG LEU A 28 5.473 -1.189 2.507 1.00 21.34 C ATOM 347 CD1 LEU A 28 5.070 -1.756 3.871 1.00 51.10 C ATOM 348 CD2 LEU A 28 4.313 -0.339 1.979 1.00 54.33 C ATOM 0 H LEU A 28 6.052 1.973 2.104 1.00 34.21 H new ATOM 0 HA LEU A 28 6.698 0.383 4.473 1.00 63.44 H new ATOM 0 HB2 LEU A 28 7.050 -0.117 1.523 1.00 51.41 H new ATOM 0 HB3 LEU A 28 7.601 -1.207 2.781 1.00 51.41 H new ATOM 0 HG LEU A 28 5.643 -2.003 1.803 1.00 21.34 H new ATOM 0 HD11 LEU A 28 4.102 -2.251 3.788 1.00 51.10 H new ATOM 0 HD12 LEU A 28 5.819 -2.476 4.201 1.00 51.10 H new ATOM 0 HD13 LEU A 28 5.002 -0.945 4.596 1.00 51.10 H new ATOM 0 HD21 LEU A 28 3.395 -0.926 1.996 1.00 54.33 H new ATOM 0 HD22 LEU A 28 4.192 0.543 2.609 1.00 54.33 H new ATOM 0 HD23 LEU A 28 4.526 -0.028 0.956 1.00 54.33 H new ATOM 359 N ARG A 29 9.356 0.447 4.248 1.00 41.41 N ATOM 360 CA ARG A 29 10.810 0.669 4.225 1.00 45.41 C ATOM 361 C ARG A 29 11.547 -0.682 4.242 1.00 31.41 C ATOM 362 O ARG A 29 10.934 -1.710 4.538 1.00 34.04 O ATOM 363 CB ARG A 29 11.266 1.553 5.410 1.00 30.31 C ATOM 364 CG ARG A 29 10.546 2.906 5.539 1.00 62.13 C ATOM 365 CD ARG A 29 11.080 3.745 6.711 1.00 11.55 C ATOM 366 NE ARG A 29 12.410 4.332 6.450 1.00 32.13 N ATOM 367 CZ ARG A 29 12.677 5.575 6.020 1.00 41.33 C ATOM 368 NH1 ARG A 29 11.715 6.450 5.749 1.00 1.54 N ATOM 369 NH2 ARG A 29 13.945 5.936 5.857 1.00 4.31 N ATOM 0 H ARG A 29 9.072 -0.310 4.870 1.00 41.41 H new ATOM 0 HA ARG A 29 11.059 1.199 3.306 1.00 45.41 H new ATOM 0 HB2 ARG A 29 11.122 0.994 6.335 1.00 30.31 H new ATOM 0 HB3 ARG A 29 12.336 1.738 5.313 1.00 30.31 H new ATOM 0 HG2 ARG A 29 10.663 3.467 4.612 1.00 62.13 H new ATOM 0 HG3 ARG A 29 9.478 2.735 5.675 1.00 62.13 H new ATOM 0 HD2 ARG A 29 10.373 4.546 6.927 1.00 11.55 H new ATOM 0 HD3 ARG A 29 11.135 3.119 7.602 1.00 11.55 H new ATOM 0 HE ARG A 29 13.214 3.726 6.615 1.00 32.13 H new ATOM 0 HH11 ARG A 29 10.737 6.185 5.866 1.00 1.54 H new ATOM 0 HH12 ARG A 29 11.954 7.387 5.424 1.00 1.54 H new ATOM 0 HH21 ARG A 29 14.694 5.273 6.058 1.00 4.31 H new ATOM 0 HH22 ARG A 29 14.170 6.876 5.531 1.00 4.31 H new ATOM 380 N ASN A 30 12.870 -0.655 4.038 1.00 65.01 N ATOM 381 CA ASN A 30 13.812 -1.786 4.006 1.00 73.03 C ATOM 382 C ASN A 30 13.434 -2.865 2.994 1.00 74.02 C ATOM 383 O ASN A 30 13.245 -4.032 3.334 1.00 22.21 O ATOM 384 CB ASN A 30 14.104 -2.362 5.398 1.00 71.33 C ATOM 385 CG ASN A 30 15.288 -3.329 5.328 1.00 65.44 C ATOM 386 OD1 ASN A 30 16.333 -3.028 4.758 1.00 14.41 O ATOM 387 ND2 ASN A 30 15.193 -4.502 5.929 1.00 52.33 N ATOM 0 H ASN A 30 13.351 0.230 3.878 1.00 65.01 H new ATOM 0 HA ASN A 30 14.751 -1.363 3.648 1.00 73.03 H new ATOM 0 HB2 ASN A 30 14.325 -1.554 6.096 1.00 71.33 H new ATOM 0 HB3 ASN A 30 13.223 -2.880 5.778 1.00 71.33 H new ATOM 0 HD21 ASN A 30 15.983 -5.147 5.916 1.00 52.33 H new ATOM 0 HD22 ASN A 30 14.330 -4.762 6.406 1.00 52.33 H new ATOM 393 N LEU A 31 13.357 -2.475 1.723 1.00 30.45 N ATOM 394 CA LEU A 31 12.928 -3.341 0.625 1.00 44.11 C ATOM 395 C LEU A 31 14.105 -3.579 -0.301 1.00 52.23 C ATOM 396 O LEU A 31 14.822 -2.619 -0.584 1.00 53.13 O ATOM 397 CB LEU A 31 11.793 -2.645 -0.142 1.00 24.21 C ATOM 398 CG LEU A 31 10.570 -2.293 0.721 1.00 52.54 C ATOM 399 CD1 LEU A 31 9.393 -1.930 -0.176 1.00 34.24 C ATOM 400 CD2 LEU A 31 10.108 -3.437 1.613 1.00 70.34 C ATOM 0 H LEU A 31 13.595 -1.530 1.421 1.00 30.45 H new ATOM 0 HA LEU A 31 12.572 -4.296 1.011 1.00 44.11 H new ATOM 0 HB2 LEU A 31 12.181 -1.731 -0.592 1.00 24.21 H new ATOM 0 HB3 LEU A 31 11.473 -3.291 -0.959 1.00 24.21 H new ATOM 0 HG LEU A 31 10.884 -1.462 1.353 1.00 52.54 H new ATOM 0 HD11 LEU A 31 8.529 -1.681 0.440 1.00 34.24 H new ATOM 0 HD12 LEU A 31 9.657 -1.072 -0.793 1.00 34.24 H new ATOM 0 HD13 LEU A 31 9.150 -2.777 -0.817 1.00 34.24 H new ATOM 0 HD21 LEU A 31 9.242 -3.119 2.194 1.00 70.34 H new ATOM 0 HD22 LEU A 31 9.836 -4.293 0.995 1.00 70.34 H new ATOM 0 HD23 LEU A 31 10.915 -3.719 2.290 1.00 70.34 H new ATOM 411 N ASN A 32 14.336 -4.807 -0.780 1.00 33.44 N ATOM 412 CA ASN A 32 15.424 -5.028 -1.741 1.00 3.15 C ATOM 413 C ASN A 32 15.011 -4.526 -3.126 1.00 50.43 C ATOM 414 O ASN A 32 13.814 -4.340 -3.360 1.00 61.01 O ATOM 415 CB ASN A 32 15.860 -6.508 -1.760 1.00 45.24 C ATOM 416 CG ASN A 32 17.366 -6.684 -1.534 1.00 3.41 C ATOM 417 OD1 ASN A 32 18.035 -5.852 -0.919 1.00 30.03 O ATOM 418 ND2 ASN A 32 17.943 -7.735 -2.071 1.00 74.03 N ATOM 0 H ASN A 32 13.803 -5.640 -0.528 1.00 33.44 H new ATOM 0 HA ASN A 32 16.295 -4.453 -1.426 1.00 3.15 H new ATOM 0 HB2 ASN A 32 15.315 -7.053 -0.989 1.00 45.24 H new ATOM 0 HB3 ASN A 32 15.586 -6.951 -2.718 1.00 45.24 H new ATOM 0 HD21 ASN A 32 18.950 -7.866 -1.980 1.00 74.03 H new ATOM 0 HD22 ASN A 32 17.384 -8.420 -2.579 1.00 74.03 H new ATOM 424 N PRO A 33 15.936 -4.349 -4.089 1.00 54.22 N ATOM 425 CA PRO A 33 15.575 -3.825 -5.399 1.00 33.15 C ATOM 426 C PRO A 33 14.592 -4.735 -6.148 1.00 53.20 C ATOM 427 O PRO A 33 13.872 -4.245 -7.024 1.00 45.40 O ATOM 428 CB PRO A 33 16.891 -3.649 -6.156 1.00 5.33 C ATOM 429 CG PRO A 33 17.897 -4.536 -5.443 1.00 1.45 C ATOM 430 CD PRO A 33 17.372 -4.580 -4.015 1.00 32.35 C ATOM 0 HA PRO A 33 15.045 -2.877 -5.304 1.00 33.15 H new ATOM 0 HB2 PRO A 33 16.784 -3.940 -7.201 1.00 5.33 H new ATOM 0 HB3 PRO A 33 17.212 -2.607 -6.147 1.00 5.33 H new ATOM 0 HG2 PRO A 33 17.942 -5.531 -5.886 1.00 1.45 H new ATOM 0 HG3 PRO A 33 18.904 -4.121 -5.489 1.00 1.45 H new ATOM 0 HD2 PRO A 33 17.585 -5.544 -3.554 1.00 32.35 H new ATOM 0 HD3 PRO A 33 17.855 -3.819 -3.402 1.00 32.35 H new ATOM 435 N HIS A 34 14.530 -6.018 -5.771 1.00 23.25 N ATOM 436 CA HIS A 34 13.698 -7.056 -6.359 1.00 21.14 C ATOM 437 C HIS A 34 12.704 -7.665 -5.363 1.00 4.51 C ATOM 438 O HIS A 34 12.162 -8.737 -5.635 1.00 50.53 O ATOM 439 CB HIS A 34 14.596 -8.156 -6.936 1.00 62.01 C ATOM 440 CG HIS A 34 15.382 -7.703 -8.131 1.00 32.03 C ATOM 441 ND1 HIS A 34 14.837 -7.211 -9.291 1.00 63.23 N ATOM 442 CD2 HIS A 34 16.746 -7.685 -8.256 1.00 4.33 C ATOM 443 CE1 HIS A 34 15.853 -6.908 -10.109 1.00 72.03 C ATOM 444 NE2 HIS A 34 17.040 -7.169 -9.526 1.00 54.44 N ATOM 0 H HIS A 34 15.096 -6.373 -5.000 1.00 23.25 H new ATOM 0 HA HIS A 34 13.106 -6.590 -7.146 1.00 21.14 H new ATOM 0 HB2 HIS A 34 15.285 -8.498 -6.163 1.00 62.01 H new ATOM 0 HB3 HIS A 34 13.980 -9.011 -7.216 1.00 62.01 H new ATOM 0 HD2 HIS A 34 17.462 -8.008 -7.514 1.00 4.33 H new ATOM 0 HE1 HIS A 34 15.737 -6.507 -11.105 1.00 72.03 H new ATOM 0 HE2 HIS A 34 17.966 -7.021 -9.928 1.00 54.44 H new ATOM 451 N SER A 35 12.451 -7.054 -4.199 1.00 10.13 N ATOM 452 CA SER A 35 11.332 -7.519 -3.398 1.00 2.32 C ATOM 453 C SER A 35 10.024 -7.174 -4.141 1.00 73.40 C ATOM 454 O SER A 35 10.039 -6.458 -5.156 1.00 23.25 O ATOM 455 CB SER A 35 11.419 -6.933 -1.984 1.00 74.33 C ATOM 456 OG SER A 35 11.551 -5.529 -2.005 1.00 53.30 O ATOM 0 H SER A 35 12.982 -6.274 -3.811 1.00 10.13 H new ATOM 0 HA SER A 35 11.356 -8.601 -3.269 1.00 2.32 H new ATOM 0 HB2 SER A 35 10.526 -7.205 -1.422 1.00 74.33 H new ATOM 0 HB3 SER A 35 12.270 -7.370 -1.461 1.00 74.33 H new ATOM 0 HG SER A 35 12.429 -5.288 -2.368 1.00 53.30 H new ATOM 461 N THR A 36 8.889 -7.635 -3.631 1.00 42.40 N ATOM 462 CA THR A 36 7.589 -7.518 -4.292 1.00 25.13 C ATOM 463 C THR A 36 6.518 -6.901 -3.413 1.00 73.42 C ATOM 464 O THR A 36 6.650 -6.794 -2.189 1.00 4.35 O ATOM 465 CB THR A 36 7.150 -8.898 -4.813 1.00 5.42 C ATOM 466 OG1 THR A 36 7.407 -9.879 -3.831 1.00 32.04 O ATOM 467 CG2 THR A 36 7.868 -9.225 -6.117 1.00 64.31 C ATOM 0 H THR A 36 8.842 -8.110 -2.730 1.00 42.40 H new ATOM 0 HA THR A 36 7.713 -6.830 -5.128 1.00 25.13 H new ATOM 0 HB THR A 36 6.079 -8.883 -5.017 1.00 5.42 H new ATOM 0 HG1 THR A 36 7.125 -10.757 -4.164 1.00 32.04 H new ATOM 0 HG21 THR A 36 7.547 -10.204 -6.473 1.00 64.31 H new ATOM 0 HG22 THR A 36 7.626 -8.470 -6.865 1.00 64.31 H new ATOM 0 HG23 THR A 36 8.945 -9.236 -5.947 1.00 64.31 H new ATOM 475 N MET A 37 5.439 -6.462 -4.064 1.00 2.51 N ATOM 476 CA MET A 37 4.256 -5.973 -3.390 1.00 5.14 C ATOM 477 C MET A 37 3.555 -7.133 -2.665 1.00 4.13 C ATOM 478 O MET A 37 2.977 -6.939 -1.602 1.00 4.53 O ATOM 479 CB MET A 37 3.377 -5.234 -4.408 1.00 45.11 C ATOM 480 CG MET A 37 2.246 -6.022 -5.078 1.00 51.53 C ATOM 481 SD MET A 37 1.783 -5.288 -6.664 1.00 63.41 S ATOM 482 CE MET A 37 1.278 -3.617 -6.148 1.00 64.33 C ATOM 0 H MET A 37 5.371 -6.440 -5.081 1.00 2.51 H new ATOM 0 HA MET A 37 4.506 -5.251 -2.613 1.00 5.14 H new ATOM 0 HB2 MET A 37 2.935 -4.373 -3.907 1.00 45.11 H new ATOM 0 HB3 MET A 37 4.026 -4.847 -5.193 1.00 45.11 H new ATOM 0 HG2 MET A 37 2.560 -7.054 -5.231 1.00 51.53 H new ATOM 0 HG3 MET A 37 1.378 -6.047 -4.419 1.00 51.53 H new ATOM 0 HE1 MET A 37 0.302 -3.384 -6.574 1.00 64.33 H new ATOM 0 HE2 MET A 37 1.218 -3.575 -5.060 1.00 64.33 H new ATOM 0 HE3 MET A 37 2.011 -2.891 -6.500 1.00 64.33 H new ATOM 490 N ASP A 38 3.644 -8.353 -3.201 1.00 10.43 N ATOM 491 CA ASP A 38 2.905 -9.545 -2.768 1.00 62.30 C ATOM 492 C ASP A 38 3.031 -9.819 -1.267 1.00 51.30 C ATOM 493 O ASP A 38 2.083 -10.247 -0.615 1.00 74.13 O ATOM 494 CB ASP A 38 3.454 -10.724 -3.570 1.00 14.24 C ATOM 495 CG ASP A 38 2.485 -11.896 -3.572 1.00 24.01 C ATOM 496 OD1 ASP A 38 2.298 -12.541 -2.523 1.00 23.12 O ATOM 497 OD2 ASP A 38 1.949 -12.207 -4.657 1.00 53.33 O ATOM 0 H ASP A 38 4.264 -8.547 -3.988 1.00 10.43 H new ATOM 0 HA ASP A 38 1.841 -9.389 -2.949 1.00 62.30 H new ATOM 0 HB2 ASP A 38 3.648 -10.409 -4.595 1.00 14.24 H new ATOM 0 HB3 ASP A 38 4.408 -11.040 -3.148 1.00 14.24 H new ATOM 501 N SER A 39 4.185 -9.456 -0.709 1.00 13.12 N ATOM 502 CA SER A 39 4.526 -9.445 0.697 1.00 52.51 C ATOM 503 C SER A 39 3.445 -8.801 1.555 1.00 21.23 C ATOM 504 O SER A 39 3.073 -9.365 2.582 1.00 1.44 O ATOM 505 CB SER A 39 5.833 -8.661 0.802 1.00 70.14 C ATOM 506 OG SER A 39 6.438 -8.760 2.072 1.00 51.43 O ATOM 0 H SER A 39 4.965 -9.137 -1.284 1.00 13.12 H new ATOM 0 HA SER A 39 4.625 -10.464 1.070 1.00 52.51 H new ATOM 0 HB2 SER A 39 6.529 -9.024 0.046 1.00 70.14 H new ATOM 0 HB3 SER A 39 5.639 -7.612 0.580 1.00 70.14 H new ATOM 0 HG SER A 39 7.269 -8.241 2.080 1.00 51.43 H new ATOM 511 N ILE A 40 2.982 -7.603 1.188 1.00 31.21 N ATOM 512 CA ILE A 40 2.025 -6.865 1.999 1.00 31.11 C ATOM 513 C ILE A 40 0.714 -7.668 2.003 1.00 64.12 C ATOM 514 O ILE A 40 0.120 -7.922 3.053 1.00 33.35 O ATOM 515 CB ILE A 40 1.870 -5.413 1.478 1.00 74.04 C ATOM 516 CG1 ILE A 40 3.195 -4.605 1.446 1.00 43.23 C ATOM 517 CG2 ILE A 40 0.895 -4.624 2.364 1.00 24.03 C ATOM 518 CD1 ILE A 40 3.986 -4.684 0.133 1.00 11.25 C ATOM 0 H ILE A 40 3.259 -7.127 0.330 1.00 31.21 H new ATOM 0 HA ILE A 40 2.366 -6.758 3.029 1.00 31.11 H new ATOM 0 HB ILE A 40 1.505 -5.525 0.457 1.00 74.04 H new ATOM 0 HG12 ILE A 40 2.967 -3.559 1.650 1.00 43.23 H new ATOM 0 HG13 ILE A 40 3.834 -4.956 2.256 1.00 43.23 H new ATOM 0 HG21 ILE A 40 0.799 -3.607 1.983 1.00 24.03 H new ATOM 0 HG22 ILE A 40 -0.081 -5.110 2.353 1.00 24.03 H new ATOM 0 HG23 ILE A 40 1.274 -4.594 3.386 1.00 24.03 H new ATOM 0 HD11 ILE A 40 4.893 -4.085 0.218 1.00 11.25 H new ATOM 0 HD12 ILE A 40 4.254 -5.721 -0.068 1.00 11.25 H new ATOM 0 HD13 ILE A 40 3.374 -4.302 -0.684 1.00 11.25 H new ATOM 529 N LEU A 41 0.318 -8.146 0.820 1.00 43.52 N ATOM 530 CA LEU A 41 -0.869 -8.961 0.586 1.00 3.22 C ATOM 531 C LEU A 41 -0.772 -10.353 1.225 1.00 5.55 C ATOM 532 O LEU A 41 -1.768 -11.078 1.217 1.00 21.35 O ATOM 533 CB LEU A 41 -1.088 -9.085 -0.928 1.00 43.13 C ATOM 534 CG LEU A 41 -1.284 -7.724 -1.618 1.00 32.04 C ATOM 535 CD1 LEU A 41 -1.347 -7.940 -3.120 1.00 64.00 C ATOM 536 CD2 LEU A 41 -2.541 -6.966 -1.169 1.00 12.31 C ATOM 0 H LEU A 41 0.842 -7.965 -0.036 1.00 43.52 H new ATOM 0 HA LEU A 41 -1.717 -8.466 1.059 1.00 3.22 H new ATOM 0 HB2 LEU A 41 -0.232 -9.593 -1.373 1.00 43.13 H new ATOM 0 HB3 LEU A 41 -1.962 -9.710 -1.114 1.00 43.13 H new ATOM 0 HG LEU A 41 -0.434 -7.106 -1.330 1.00 32.04 H new ATOM 0 HD11 LEU A 41 -1.486 -6.981 -3.620 1.00 64.00 H new ATOM 0 HD12 LEU A 41 -0.418 -8.396 -3.461 1.00 64.00 H new ATOM 0 HD13 LEU A 41 -2.183 -8.598 -3.358 1.00 64.00 H new ATOM 0 HD21 LEU A 41 -2.604 -6.018 -1.703 1.00 12.31 H new ATOM 0 HD22 LEU A 41 -3.425 -7.565 -1.388 1.00 12.31 H new ATOM 0 HD23 LEU A 41 -2.488 -6.776 -0.097 1.00 12.31 H new ATOM 547 N GLY A 42 0.402 -10.731 1.744 1.00 61.14 N ATOM 548 CA GLY A 42 0.719 -12.014 2.354 1.00 62.14 C ATOM 549 C GLY A 42 1.126 -11.893 3.824 1.00 71.13 C ATOM 550 O GLY A 42 1.639 -12.866 4.377 1.00 11.35 O ATOM 0 H GLY A 42 1.205 -10.102 1.746 1.00 61.14 H new ATOM 0 HA2 GLY A 42 -0.147 -12.671 2.275 1.00 62.14 H new ATOM 0 HA3 GLY A 42 1.528 -12.485 1.796 1.00 62.14 H new ATOM 554 N ALA A 43 0.910 -10.733 4.458 1.00 43.22 N ATOM 555 CA ALA A 43 0.895 -10.606 5.915 1.00 44.31 C ATOM 556 C ALA A 43 -0.421 -10.010 6.414 1.00 41.34 C ATOM 557 O ALA A 43 -0.837 -10.352 7.523 1.00 74.12 O ATOM 558 CB ALA A 43 2.086 -9.773 6.415 1.00 31.35 C ATOM 0 H ALA A 43 0.740 -9.854 3.969 1.00 43.22 H new ATOM 0 HA ALA A 43 0.985 -11.612 6.325 1.00 44.31 H new ATOM 0 HB1 ALA A 43 2.046 -9.697 7.502 1.00 31.35 H new ATOM 0 HB2 ALA A 43 3.017 -10.256 6.119 1.00 31.35 H new ATOM 0 HB3 ALA A 43 2.040 -8.775 5.980 1.00 31.35 H new ATOM 564 N LEU A 44 -1.071 -9.121 5.649 1.00 14.33 N ATOM 565 CA LEU A 44 -2.194 -8.328 6.157 1.00 13.45 C ATOM 566 C LEU A 44 -3.542 -8.738 5.574 1.00 31.44 C ATOM 567 O LEU A 44 -4.536 -8.121 5.940 1.00 4.42 O ATOM 568 CB LEU A 44 -1.954 -6.812 5.971 1.00 44.20 C ATOM 569 CG LEU A 44 -0.795 -6.177 6.768 1.00 22.41 C ATOM 570 CD1 LEU A 44 -0.550 -6.857 8.117 1.00 14.11 C ATOM 571 CD2 LEU A 44 0.507 -6.135 5.965 1.00 43.12 C ATOM 0 H LEU A 44 -0.836 -8.935 4.674 1.00 14.33 H new ATOM 0 HA LEU A 44 -2.241 -8.542 7.225 1.00 13.45 H new ATOM 0 HB2 LEU A 44 -1.777 -6.626 4.912 1.00 44.20 H new ATOM 0 HB3 LEU A 44 -2.873 -6.290 6.237 1.00 44.20 H new ATOM 0 HG LEU A 44 -1.116 -5.154 6.965 1.00 22.41 H new ATOM 0 HD11 LEU A 44 0.277 -6.364 8.628 1.00 14.11 H new ATOM 0 HD12 LEU A 44 -1.449 -6.786 8.729 1.00 14.11 H new ATOM 0 HD13 LEU A 44 -0.303 -7.906 7.956 1.00 14.11 H new ATOM 0 HD21 LEU A 44 1.292 -5.680 6.569 1.00 43.12 H new ATOM 0 HD22 LEU A 44 0.800 -7.149 5.694 1.00 43.12 H new ATOM 0 HD23 LEU A 44 0.357 -5.546 5.060 1.00 43.12 H new ATOM 582 N ALA A 45 -3.626 -9.765 4.723 1.00 30.34 N ATOM 583 CA ALA A 45 -4.894 -10.196 4.135 1.00 72.33 C ATOM 584 C ALA A 45 -6.017 -10.369 5.176 1.00 5.12 C ATOM 585 O ALA A 45 -7.111 -9.859 4.930 1.00 33.01 O ATOM 586 CB ALA A 45 -4.706 -11.457 3.284 1.00 2.15 C ATOM 0 H ALA A 45 -2.822 -10.317 4.425 1.00 30.34 H new ATOM 0 HA ALA A 45 -5.222 -9.391 3.478 1.00 72.33 H new ATOM 0 HB1 ALA A 45 -5.664 -11.755 2.859 1.00 2.15 H new ATOM 0 HB2 ALA A 45 -4.001 -11.251 2.479 1.00 2.15 H new ATOM 0 HB3 ALA A 45 -4.319 -12.263 3.908 1.00 2.15 H new ATOM 592 N PRO A 46 -5.807 -11.018 6.343 1.00 32.34 N ATOM 593 CA PRO A 46 -6.870 -11.164 7.331 1.00 2.54 C ATOM 594 C PRO A 46 -7.025 -9.960 8.261 1.00 12.21 C ATOM 595 O PRO A 46 -7.996 -9.930 9.015 1.00 5.35 O ATOM 596 CB PRO A 46 -6.497 -12.414 8.133 1.00 50.31 C ATOM 597 CG PRO A 46 -4.972 -12.344 8.142 1.00 1.22 C ATOM 598 CD PRO A 46 -4.636 -11.785 6.763 1.00 52.40 C ATOM 0 HA PRO A 46 -7.834 -11.243 6.828 1.00 2.54 H new ATOM 0 HB2 PRO A 46 -6.912 -12.391 9.141 1.00 50.31 H new ATOM 0 HB3 PRO A 46 -6.861 -13.326 7.659 1.00 50.31 H new ATOM 0 HG2 PRO A 46 -4.604 -11.697 8.938 1.00 1.22 H new ATOM 0 HG3 PRO A 46 -4.526 -13.326 8.297 1.00 1.22 H new ATOM 0 HD2 PRO A 46 -3.749 -11.152 6.804 1.00 52.40 H new ATOM 0 HD3 PRO A 46 -4.422 -12.588 6.058 1.00 52.40 H new ATOM 603 N TYR A 47 -6.113 -8.986 8.236 1.00 54.30 N ATOM 604 CA TYR A 47 -6.114 -7.843 9.152 1.00 51.34 C ATOM 605 C TYR A 47 -6.488 -6.556 8.428 1.00 31.11 C ATOM 606 O TYR A 47 -6.435 -5.482 9.025 1.00 10.55 O ATOM 607 CB TYR A 47 -4.754 -7.729 9.868 1.00 2.22 C ATOM 608 CG TYR A 47 -4.268 -9.033 10.477 1.00 23.13 C ATOM 609 CD1 TYR A 47 -5.166 -9.861 11.179 1.00 63.04 C ATOM 610 CD2 TYR A 47 -2.934 -9.445 10.304 1.00 63.03 C ATOM 611 CE1 TYR A 47 -4.754 -11.109 11.672 1.00 74.13 C ATOM 612 CE2 TYR A 47 -2.508 -10.689 10.801 1.00 14.33 C ATOM 613 CZ TYR A 47 -3.423 -11.537 11.466 1.00 54.20 C ATOM 614 OH TYR A 47 -3.032 -12.773 11.875 1.00 43.41 O ATOM 0 H TYR A 47 -5.341 -8.969 7.569 1.00 54.30 H new ATOM 0 HA TYR A 47 -6.877 -8.009 9.913 1.00 51.34 H new ATOM 0 HB2 TYR A 47 -4.009 -7.371 9.157 1.00 2.22 H new ATOM 0 HB3 TYR A 47 -4.830 -6.978 10.654 1.00 2.22 H new ATOM 0 HD1 TYR A 47 -6.182 -9.532 11.340 1.00 63.04 H new ATOM 0 HD2 TYR A 47 -2.235 -8.804 9.788 1.00 63.03 H new ATOM 0 HE1 TYR A 47 -5.450 -11.739 12.206 1.00 74.13 H new ATOM 0 HE2 TYR A 47 -1.481 -10.997 10.675 1.00 14.33 H new ATOM 0 HH TYR A 47 -2.086 -12.906 11.655 1.00 43.41 H new ATOM 623 N ALA A 48 -6.839 -6.657 7.146 1.00 13.14 N ATOM 624 CA ALA A 48 -7.059 -5.509 6.290 1.00 41.51 C ATOM 625 C ALA A 48 -8.108 -5.832 5.237 1.00 43.44 C ATOM 626 O ALA A 48 -8.262 -6.984 4.825 1.00 2.41 O ATOM 627 CB ALA A 48 -5.732 -5.129 5.625 1.00 4.22 C ATOM 0 H ALA A 48 -6.978 -7.551 6.675 1.00 13.14 H new ATOM 0 HA ALA A 48 -7.423 -4.670 6.884 1.00 41.51 H new ATOM 0 HB1 ALA A 48 -5.884 -4.266 4.977 1.00 4.22 H new ATOM 0 HB2 ALA A 48 -4.998 -4.883 6.392 1.00 4.22 H new ATOM 0 HB3 ALA A 48 -5.369 -5.968 5.032 1.00 4.22 H new ATOM 633 N VAL A 49 -8.772 -4.787 4.751 1.00 73.40 N ATOM 634 CA VAL A 49 -9.814 -4.864 3.739 1.00 4.43 C ATOM 635 C VAL A 49 -9.338 -4.041 2.547 1.00 5.11 C ATOM 636 O VAL A 49 -9.595 -2.839 2.433 1.00 24.14 O ATOM 637 CB VAL A 49 -11.187 -4.521 4.344 1.00 41.43 C ATOM 638 CG1 VAL A 49 -11.216 -3.231 5.175 1.00 10.15 C ATOM 639 CG2 VAL A 49 -12.276 -4.489 3.267 1.00 73.21 C ATOM 0 H VAL A 49 -8.591 -3.833 5.063 1.00 73.40 H new ATOM 0 HA VAL A 49 -9.983 -5.872 3.360 1.00 4.43 H new ATOM 0 HB VAL A 49 -11.392 -5.329 5.046 1.00 41.43 H new ATOM 0 HG11 VAL A 49 -12.222 -3.069 5.561 1.00 10.15 H new ATOM 0 HG12 VAL A 49 -10.518 -3.319 6.007 1.00 10.15 H new ATOM 0 HG13 VAL A 49 -10.928 -2.387 4.547 1.00 10.15 H new ATOM 0 HG21 VAL A 49 -13.234 -4.244 3.725 1.00 73.21 H new ATOM 0 HG22 VAL A 49 -12.027 -3.735 2.521 1.00 73.21 H new ATOM 0 HG23 VAL A 49 -12.342 -5.466 2.788 1.00 73.21 H new ATOM 649 N LEU A 50 -8.528 -4.676 1.701 1.00 3.55 N ATOM 650 CA LEU A 50 -7.887 -4.081 0.541 1.00 62.03 C ATOM 651 C LEU A 50 -7.396 -5.173 -0.401 1.00 72.00 C ATOM 652 O LEU A 50 -7.462 -6.356 -0.081 1.00 22.12 O ATOM 653 CB LEU A 50 -6.739 -3.168 0.985 1.00 54.10 C ATOM 654 CG LEU A 50 -5.851 -3.652 2.140 1.00 63.22 C ATOM 655 CD1 LEU A 50 -5.166 -5.003 1.910 1.00 32.25 C ATOM 656 CD2 LEU A 50 -4.821 -2.549 2.356 1.00 32.03 C ATOM 0 H LEU A 50 -8.294 -5.662 1.815 1.00 3.55 H new ATOM 0 HA LEU A 50 -8.611 -3.471 0.001 1.00 62.03 H new ATOM 0 HB2 LEU A 50 -6.099 -2.989 0.121 1.00 54.10 H new ATOM 0 HB3 LEU A 50 -7.166 -2.206 1.270 1.00 54.10 H new ATOM 0 HG LEU A 50 -6.476 -3.832 3.014 1.00 63.22 H new ATOM 0 HD11 LEU A 50 -4.562 -5.258 2.781 1.00 32.25 H new ATOM 0 HD12 LEU A 50 -5.922 -5.773 1.755 1.00 32.25 H new ATOM 0 HD13 LEU A 50 -4.526 -4.941 1.030 1.00 32.25 H new ATOM 0 HD21 LEU A 50 -4.152 -2.830 3.170 1.00 32.03 H new ATOM 0 HD22 LEU A 50 -4.243 -2.408 1.443 1.00 32.03 H new ATOM 0 HD23 LEU A 50 -5.331 -1.620 2.610 1.00 32.03 H new ATOM 667 N SER A 51 -6.867 -4.768 -1.551 1.00 4.55 N ATOM 668 CA SER A 51 -6.212 -5.640 -2.507 1.00 10.43 C ATOM 669 C SER A 51 -5.093 -4.845 -3.188 1.00 62.03 C ATOM 670 O SER A 51 -4.696 -3.774 -2.703 1.00 44.10 O ATOM 671 CB SER A 51 -7.258 -6.212 -3.479 1.00 64.20 C ATOM 672 OG SER A 51 -7.172 -7.618 -3.510 1.00 65.01 O ATOM 0 H SER A 51 -6.885 -3.792 -1.848 1.00 4.55 H new ATOM 0 HA SER A 51 -5.750 -6.502 -2.026 1.00 10.43 H new ATOM 0 HB2 SER A 51 -8.258 -5.908 -3.170 1.00 64.20 H new ATOM 0 HB3 SER A 51 -7.097 -5.808 -4.478 1.00 64.20 H new ATOM 0 HG SER A 51 -7.843 -7.973 -4.130 1.00 65.01 H new ATOM 677 N SER A 52 -4.520 -5.384 -4.264 1.00 4.23 N ATOM 678 CA SER A 52 -3.311 -4.880 -4.897 1.00 14.52 C ATOM 679 C SER A 52 -3.410 -3.454 -5.464 1.00 64.04 C ATOM 680 O SER A 52 -2.369 -2.921 -5.843 1.00 41.51 O ATOM 681 CB SER A 52 -2.872 -5.877 -5.979 1.00 5.55 C ATOM 682 OG SER A 52 -3.936 -6.214 -6.857 1.00 63.41 O ATOM 0 H SER A 52 -4.899 -6.208 -4.730 1.00 4.23 H new ATOM 0 HA SER A 52 -2.560 -4.796 -4.111 1.00 14.52 H new ATOM 0 HB2 SER A 52 -2.050 -5.450 -6.553 1.00 5.55 H new ATOM 0 HB3 SER A 52 -2.493 -6.782 -5.505 1.00 5.55 H new ATOM 0 HG SER A 52 -3.615 -6.849 -7.531 1.00 63.41 H new ATOM 687 N SER A 53 -4.590 -2.821 -5.532 1.00 73.10 N ATOM 688 CA SER A 53 -4.718 -1.446 -6.025 1.00 21.43 C ATOM 689 C SER A 53 -4.564 -0.402 -4.907 1.00 53.32 C ATOM 690 O SER A 53 -4.296 0.762 -5.197 1.00 53.44 O ATOM 691 CB SER A 53 -6.055 -1.289 -6.763 1.00 30.14 C ATOM 692 OG SER A 53 -5.917 -0.491 -7.925 1.00 53.30 O ATOM 0 H SER A 53 -5.474 -3.245 -5.249 1.00 73.10 H new ATOM 0 HA SER A 53 -3.901 -1.259 -6.722 1.00 21.43 H new ATOM 0 HB2 SER A 53 -6.437 -2.272 -7.039 1.00 30.14 H new ATOM 0 HB3 SER A 53 -6.789 -0.838 -6.096 1.00 30.14 H new ATOM 0 HG SER A 53 -6.785 -0.412 -8.373 1.00 53.30 H new ATOM 697 N ASN A 54 -4.730 -0.768 -3.631 1.00 4.55 N ATOM 698 CA ASN A 54 -4.463 0.157 -2.520 1.00 54.43 C ATOM 699 C ASN A 54 -2.968 0.432 -2.446 1.00 44.41 C ATOM 700 O ASN A 54 -2.518 1.564 -2.280 1.00 5.33 O ATOM 701 CB ASN A 54 -4.905 -0.453 -1.182 1.00 51.33 C ATOM 702 CG ASN A 54 -6.409 -0.405 -1.021 1.00 25.32 C ATOM 703 OD1 ASN A 54 -7.108 -1.253 -1.569 1.00 21.45 O ATOM 704 ND2 ASN A 54 -6.932 0.551 -0.277 1.00 70.22 N ATOM 0 H ASN A 54 -5.046 -1.693 -3.341 1.00 4.55 H new ATOM 0 HA ASN A 54 -5.021 1.076 -2.699 1.00 54.43 H new ATOM 0 HB2 ASN A 54 -4.564 -1.487 -1.122 1.00 51.33 H new ATOM 0 HB3 ASN A 54 -4.433 0.087 -0.361 1.00 51.33 H new ATOM 0 HD21 ASN A 54 -7.942 0.599 -0.145 1.00 70.22 H new ATOM 0 HD22 ASN A 54 -6.326 1.242 0.166 1.00 70.22 H new ATOM 710 N VAL A 55 -2.206 -0.649 -2.506 1.00 52.30 N ATOM 711 CA VAL A 55 -0.770 -0.715 -2.350 1.00 1.23 C ATOM 712 C VAL A 55 -0.079 -0.407 -3.676 1.00 14.45 C ATOM 713 O VAL A 55 -0.660 -0.559 -4.750 1.00 41.21 O ATOM 714 CB VAL A 55 -0.465 -2.102 -1.766 1.00 65.10 C ATOM 715 CG1 VAL A 55 -0.926 -3.230 -2.700 1.00 64.04 C ATOM 716 CG2 VAL A 55 0.996 -2.259 -1.324 1.00 11.34 C ATOM 0 H VAL A 55 -2.610 -1.569 -2.678 1.00 52.30 H new ATOM 0 HA VAL A 55 -0.378 0.038 -1.666 1.00 1.23 H new ATOM 0 HB VAL A 55 -1.055 -2.188 -0.854 1.00 65.10 H new ATOM 0 HG11 VAL A 55 -0.691 -4.194 -2.249 1.00 64.04 H new ATOM 0 HG12 VAL A 55 -2.002 -3.155 -2.857 1.00 64.04 H new ATOM 0 HG13 VAL A 55 -0.412 -3.142 -3.657 1.00 64.04 H new ATOM 0 HG21 VAL A 55 1.148 -3.260 -0.920 1.00 11.34 H new ATOM 0 HG22 VAL A 55 1.653 -2.109 -2.180 1.00 11.34 H new ATOM 0 HG23 VAL A 55 1.225 -1.520 -0.557 1.00 11.34 H new ATOM 726 N ARG A 56 1.168 0.046 -3.603 1.00 11.34 N ATOM 727 CA ARG A 56 1.953 0.480 -4.738 1.00 30.32 C ATOM 728 C ARG A 56 3.423 0.287 -4.401 1.00 51.30 C ATOM 729 O ARG A 56 3.768 0.171 -3.225 1.00 11.23 O ATOM 730 CB ARG A 56 1.602 1.959 -4.987 1.00 22.25 C ATOM 731 CG ARG A 56 1.617 2.342 -6.465 1.00 32.04 C ATOM 732 CD ARG A 56 0.476 1.691 -7.268 1.00 23.24 C ATOM 733 NE ARG A 56 -0.842 2.218 -6.886 1.00 31.15 N ATOM 734 CZ ARG A 56 -1.989 2.064 -7.554 1.00 2.55 C ATOM 735 NH1 ARG A 56 -2.047 1.328 -8.657 1.00 25.21 N ATOM 736 NH2 ARG A 56 -3.073 2.678 -7.110 1.00 34.45 N ATOM 0 H ARG A 56 1.671 0.121 -2.719 1.00 11.34 H new ATOM 0 HA ARG A 56 1.743 -0.091 -5.642 1.00 30.32 H new ATOM 0 HB2 ARG A 56 0.614 2.165 -4.575 1.00 22.25 H new ATOM 0 HB3 ARG A 56 2.310 2.589 -4.448 1.00 22.25 H new ATOM 0 HG2 ARG A 56 1.544 3.426 -6.554 1.00 32.04 H new ATOM 0 HG3 ARG A 56 2.573 2.050 -6.900 1.00 32.04 H new ATOM 0 HD2 ARG A 56 0.639 1.862 -8.332 1.00 23.24 H new ATOM 0 HD3 ARG A 56 0.493 0.612 -7.112 1.00 23.24 H new ATOM 0 HE ARG A 56 -0.886 2.757 -6.021 1.00 31.15 H new ATOM 0 HH11 ARG A 56 -1.207 0.868 -9.008 1.00 25.21 H new ATOM 0 HH12 ARG A 56 -2.932 1.222 -9.153 1.00 25.21 H new ATOM 0 HH21 ARG A 56 -3.024 3.257 -6.272 1.00 34.45 H new ATOM 0 HH22 ARG A 56 -3.958 2.573 -7.606 1.00 34.45 H new ATOM 747 N VAL A 57 4.296 0.268 -5.405 1.00 43.24 N ATOM 748 CA VAL A 57 5.738 0.270 -5.222 1.00 51.44 C ATOM 749 C VAL A 57 6.348 1.116 -6.335 1.00 64.12 C ATOM 750 O VAL A 57 6.305 0.761 -7.515 1.00 31.14 O ATOM 751 CB VAL A 57 6.264 -1.166 -5.071 1.00 3.33 C ATOM 752 CG1 VAL A 57 5.788 -2.156 -6.134 1.00 31.02 C ATOM 753 CG2 VAL A 57 7.792 -1.213 -4.935 1.00 22.12 C ATOM 0 H VAL A 57 4.012 0.251 -6.385 1.00 43.24 H new ATOM 0 HA VAL A 57 6.046 0.740 -4.288 1.00 51.44 H new ATOM 0 HB VAL A 57 5.812 -1.505 -4.139 1.00 3.33 H new ATOM 0 HG11 VAL A 57 6.217 -3.138 -5.935 1.00 31.02 H new ATOM 0 HG12 VAL A 57 4.700 -2.223 -6.108 1.00 31.02 H new ATOM 0 HG13 VAL A 57 6.107 -1.814 -7.119 1.00 31.02 H new ATOM 0 HG21 VAL A 57 8.116 -2.248 -4.831 1.00 22.12 H new ATOM 0 HG22 VAL A 57 8.250 -0.777 -5.823 1.00 22.12 H new ATOM 0 HG23 VAL A 57 8.096 -0.647 -4.055 1.00 22.12 H new ATOM 763 N ILE A 58 6.807 2.309 -5.970 1.00 50.22 N ATOM 764 CA ILE A 58 7.528 3.206 -6.867 1.00 61.01 C ATOM 765 C ILE A 58 8.964 2.687 -6.971 1.00 53.40 C ATOM 766 O ILE A 58 9.609 2.330 -5.981 1.00 4.25 O ATOM 767 CB ILE A 58 7.463 4.692 -6.425 1.00 52.43 C ATOM 768 CG1 ILE A 58 6.057 5.243 -6.089 1.00 41.42 C ATOM 769 CG2 ILE A 58 8.083 5.607 -7.500 1.00 24.35 C ATOM 770 CD1 ILE A 58 4.914 4.767 -6.996 1.00 44.13 C ATOM 0 H ILE A 58 6.687 2.685 -5.030 1.00 50.22 H new ATOM 0 HA ILE A 58 7.053 3.202 -7.848 1.00 61.01 H new ATOM 0 HB ILE A 58 8.029 4.702 -5.494 1.00 52.43 H new ATOM 0 HG12 ILE A 58 5.817 4.969 -5.062 1.00 41.42 H new ATOM 0 HG13 ILE A 58 6.096 6.332 -6.128 1.00 41.42 H new ATOM 0 HG21 ILE A 58 8.027 6.645 -7.171 1.00 24.35 H new ATOM 0 HG22 ILE A 58 9.126 5.331 -7.655 1.00 24.35 H new ATOM 0 HG23 ILE A 58 7.534 5.493 -8.435 1.00 24.35 H new ATOM 0 HD11 ILE A 58 3.977 5.216 -6.667 1.00 44.13 H new ATOM 0 HD12 ILE A 58 5.118 5.065 -8.025 1.00 44.13 H new ATOM 0 HD13 ILE A 58 4.834 3.681 -6.942 1.00 44.13 H new ATOM 781 N LYS A 59 9.462 2.656 -8.199 1.00 14.25 N ATOM 782 CA LYS A 59 10.792 2.202 -8.552 1.00 65.34 C ATOM 783 C LYS A 59 11.653 3.418 -8.871 1.00 61.00 C ATOM 784 O LYS A 59 11.183 4.559 -8.849 1.00 2.24 O ATOM 785 CB LYS A 59 10.681 1.255 -9.754 1.00 63.24 C ATOM 786 CG LYS A 59 9.909 -0.035 -9.435 1.00 22.23 C ATOM 787 CD LYS A 59 9.760 -0.918 -10.682 1.00 13.52 C ATOM 788 CE LYS A 59 8.825 -0.246 -11.694 1.00 2.41 C ATOM 789 NZ LYS A 59 8.611 -1.047 -12.910 1.00 41.20 N ATOM 0 H LYS A 59 8.923 2.961 -9.009 1.00 14.25 H new ATOM 0 HA LYS A 59 11.259 1.660 -7.730 1.00 65.34 H new ATOM 0 HB2 LYS A 59 10.185 1.775 -10.574 1.00 63.24 H new ATOM 0 HB3 LYS A 59 11.682 0.996 -10.099 1.00 63.24 H new ATOM 0 HG2 LYS A 59 10.430 -0.589 -8.654 1.00 22.23 H new ATOM 0 HG3 LYS A 59 8.923 0.216 -9.044 1.00 22.23 H new ATOM 0 HD2 LYS A 59 10.737 -1.089 -11.135 1.00 13.52 H new ATOM 0 HD3 LYS A 59 9.364 -1.894 -10.401 1.00 13.52 H new ATOM 0 HE2 LYS A 59 7.863 -0.056 -11.219 1.00 2.41 H new ATOM 0 HE3 LYS A 59 9.239 0.723 -11.974 1.00 2.41 H new ATOM 0 HZ1 LYS A 59 7.971 -0.538 -13.553 1.00 41.20 H new ATOM 0 HZ2 LYS A 59 9.522 -1.208 -13.385 1.00 41.20 H new ATOM 0 HZ3 LYS A 59 8.188 -1.962 -12.653 1.00 41.20 H new ATOM 799 N ASP A 60 12.922 3.193 -9.172 1.00 41.23 N ATOM 800 CA ASP A 60 13.876 4.243 -9.487 1.00 64.30 C ATOM 801 C ASP A 60 13.684 4.774 -10.917 1.00 53.31 C ATOM 802 O ASP A 60 12.782 4.355 -11.657 1.00 2.24 O ATOM 803 CB ASP A 60 15.278 3.675 -9.235 1.00 63.34 C ATOM 804 CG ASP A 60 16.382 4.730 -9.287 1.00 42.10 C ATOM 805 OD1 ASP A 60 16.086 5.918 -9.008 1.00 32.23 O ATOM 806 OD2 ASP A 60 17.503 4.372 -9.713 1.00 12.11 O ATOM 0 H ASP A 60 13.325 2.257 -9.205 1.00 41.23 H new ATOM 0 HA ASP A 60 13.721 5.113 -8.848 1.00 64.30 H new ATOM 0 HB2 ASP A 60 15.295 3.191 -8.259 1.00 63.34 H new ATOM 0 HB3 ASP A 60 15.488 2.904 -9.977 1.00 63.34 H new ATOM 810 N LYS A 61 14.523 5.735 -11.301 1.00 33.34 N ATOM 811 CA LYS A 61 14.659 6.320 -12.619 1.00 41.53 C ATOM 812 C LYS A 61 16.003 5.920 -13.222 1.00 21.33 C ATOM 813 O LYS A 61 16.036 5.551 -14.394 1.00 34.32 O ATOM 814 CB LYS A 61 14.494 7.835 -12.453 1.00 11.32 C ATOM 815 CG LYS A 61 14.736 8.670 -13.711 1.00 34.45 C ATOM 816 CD LYS A 61 13.840 8.263 -14.887 1.00 53.31 C ATOM 817 CE LYS A 61 13.544 9.418 -15.853 1.00 70.00 C ATOM 818 NZ LYS A 61 14.755 10.099 -16.353 1.00 62.13 N ATOM 0 H LYS A 61 15.175 6.153 -10.638 1.00 33.34 H new ATOM 0 HA LYS A 61 13.901 5.960 -13.315 1.00 41.53 H new ATOM 0 HB2 LYS A 61 13.484 8.035 -12.095 1.00 11.32 H new ATOM 0 HB3 LYS A 61 15.180 8.174 -11.677 1.00 11.32 H new ATOM 0 HG2 LYS A 61 14.566 9.722 -13.480 1.00 34.45 H new ATOM 0 HG3 LYS A 61 15.780 8.574 -14.008 1.00 34.45 H new ATOM 0 HD2 LYS A 61 14.319 7.453 -15.436 1.00 53.31 H new ATOM 0 HD3 LYS A 61 12.899 7.872 -14.500 1.00 53.31 H new ATOM 0 HE2 LYS A 61 12.977 9.034 -16.701 1.00 70.00 H new ATOM 0 HE3 LYS A 61 12.909 10.147 -15.350 1.00 70.00 H new ATOM 0 HZ1 LYS A 61 14.480 10.866 -16.999 1.00 62.13 H new ATOM 0 HZ2 LYS A 61 15.287 10.495 -15.552 1.00 62.13 H new ATOM 0 HZ3 LYS A 61 15.352 9.416 -16.861 1.00 62.13 H new ATOM 828 N GLN A 62 17.096 5.979 -12.446 1.00 31.04 N ATOM 829 CA GLN A 62 18.416 5.579 -12.933 1.00 45.13 C ATOM 830 C GLN A 62 18.436 4.082 -13.202 1.00 41.44 C ATOM 831 O GLN A 62 19.078 3.611 -14.142 1.00 53.43 O ATOM 832 CB GLN A 62 19.533 5.897 -11.934 1.00 11.32 C ATOM 833 CG GLN A 62 19.409 7.261 -11.251 1.00 23.14 C ATOM 834 CD GLN A 62 20.709 7.684 -10.571 1.00 51.51 C ATOM 835 OE1 GLN A 62 21.637 6.902 -10.390 1.00 2.41 O ATOM 836 NE2 GLN A 62 20.843 8.947 -10.228 1.00 63.00 N ATOM 0 H GLN A 62 17.087 6.301 -11.478 1.00 31.04 H new ATOM 0 HA GLN A 62 18.597 6.147 -13.846 1.00 45.13 H new ATOM 0 HB2 GLN A 62 19.548 5.122 -11.168 1.00 11.32 H new ATOM 0 HB3 GLN A 62 20.490 5.851 -12.453 1.00 11.32 H new ATOM 0 HG2 GLN A 62 19.126 8.011 -11.989 1.00 23.14 H new ATOM 0 HG3 GLN A 62 18.609 7.224 -10.512 1.00 23.14 H new ATOM 0 HE21 GLN A 62 20.074 9.600 -10.377 1.00 63.00 H new ATOM 0 HE22 GLN A 62 21.716 9.273 -9.813 1.00 63.00 H new ATOM 843 N THR A 63 17.761 3.327 -12.350 1.00 62.02 N ATOM 844 CA THR A 63 17.587 1.894 -12.429 1.00 70.00 C ATOM 845 C THR A 63 16.087 1.640 -12.583 1.00 65.03 C ATOM 846 O THR A 63 15.308 2.588 -12.719 1.00 32.34 O ATOM 847 CB THR A 63 18.243 1.242 -11.198 1.00 14.43 C ATOM 848 OG1 THR A 63 17.595 1.604 -10.003 1.00 22.32 O ATOM 849 CG2 THR A 63 19.710 1.643 -11.075 1.00 54.20 C ATOM 0 H THR A 63 17.293 3.728 -11.537 1.00 62.02 H new ATOM 0 HA THR A 63 18.081 1.437 -13.286 1.00 70.00 H new ATOM 0 HB THR A 63 18.158 0.166 -11.347 1.00 14.43 H new ATOM 0 HG1 THR A 63 17.633 2.577 -9.892 1.00 22.32 H new ATOM 0 HG21 THR A 63 20.145 1.167 -10.196 1.00 54.20 H new ATOM 0 HG22 THR A 63 20.250 1.323 -11.966 1.00 54.20 H new ATOM 0 HG23 THR A 63 19.784 2.726 -10.975 1.00 54.20 H new ATOM 857 N GLN A 64 15.663 0.379 -12.603 1.00 12.44 N ATOM 858 CA GLN A 64 14.261 0.008 -12.757 1.00 53.21 C ATOM 859 C GLN A 64 13.841 -0.856 -11.570 1.00 65.31 C ATOM 860 O GLN A 64 13.249 -1.923 -11.729 1.00 31.32 O ATOM 861 CB GLN A 64 14.055 -0.663 -14.126 1.00 23.23 C ATOM 862 CG GLN A 64 14.346 0.275 -15.309 1.00 53.12 C ATOM 863 CD GLN A 64 13.295 1.377 -15.428 1.00 24.33 C ATOM 864 OE1 GLN A 64 12.210 1.136 -15.953 1.00 33.42 O ATOM 865 NE2 GLN A 64 13.564 2.582 -14.962 1.00 50.21 N ATOM 0 H GLN A 64 16.290 -0.421 -12.512 1.00 12.44 H new ATOM 0 HA GLN A 64 13.613 0.885 -12.749 1.00 53.21 H new ATOM 0 HB2 GLN A 64 14.702 -1.537 -14.196 1.00 23.23 H new ATOM 0 HB3 GLN A 64 13.028 -1.020 -14.198 1.00 23.23 H new ATOM 0 HG2 GLN A 64 15.331 0.724 -15.184 1.00 53.12 H new ATOM 0 HG3 GLN A 64 14.374 -0.303 -16.233 1.00 53.12 H new ATOM 0 HE21 GLN A 64 14.468 2.771 -14.528 1.00 50.21 H new ATOM 0 HE22 GLN A 64 12.868 3.324 -15.036 1.00 50.21 H new ATOM 872 N LEU A 65 14.238 -0.420 -10.372 1.00 41.12 N ATOM 873 CA LEU A 65 14.303 -1.234 -9.166 1.00 44.24 C ATOM 874 C LEU A 65 13.644 -0.508 -8.003 1.00 51.21 C ATOM 875 O LEU A 65 13.476 0.709 -8.062 1.00 25.25 O ATOM 876 CB LEU A 65 15.773 -1.477 -8.823 1.00 43.23 C ATOM 877 CG LEU A 65 16.581 -2.230 -9.891 1.00 73.10 C ATOM 878 CD1 LEU A 65 18.046 -2.244 -9.461 1.00 72.20 C ATOM 879 CD2 LEU A 65 16.055 -3.650 -10.139 1.00 43.10 C ATOM 0 H LEU A 65 14.532 0.544 -10.215 1.00 41.12 H new ATOM 0 HA LEU A 65 13.783 -2.176 -9.339 1.00 44.24 H new ATOM 0 HB2 LEU A 65 16.251 -0.514 -8.642 1.00 43.23 H new ATOM 0 HB3 LEU A 65 15.823 -2.039 -7.890 1.00 43.23 H new ATOM 0 HG LEU A 65 16.475 -1.711 -10.843 1.00 73.10 H new ATOM 0 HD11 LEU A 65 18.639 -2.775 -10.206 1.00 72.20 H new ATOM 0 HD12 LEU A 65 18.409 -1.220 -9.371 1.00 72.20 H new ATOM 0 HD13 LEU A 65 18.138 -2.747 -8.499 1.00 72.20 H new ATOM 0 HD21 LEU A 65 16.663 -4.135 -10.903 1.00 43.10 H new ATOM 0 HD22 LEU A 65 16.108 -4.224 -9.214 1.00 43.10 H new ATOM 0 HD23 LEU A 65 15.020 -3.601 -10.477 1.00 43.10 H new ATOM 890 N ASN A 66 13.296 -1.230 -6.938 1.00 73.41 N ATOM 891 CA ASN A 66 12.577 -0.646 -5.805 1.00 70.20 C ATOM 892 C ASN A 66 13.496 0.319 -5.070 1.00 24.02 C ATOM 893 O ASN A 66 14.587 -0.059 -4.647 1.00 3.14 O ATOM 894 CB ASN A 66 12.097 -1.700 -4.795 1.00 63.11 C ATOM 895 CG ASN A 66 11.265 -2.817 -5.400 1.00 12.22 C ATOM 896 OD1 ASN A 66 10.541 -2.628 -6.372 1.00 50.50 O ATOM 897 ND2 ASN A 66 11.383 -4.010 -4.855 1.00 41.24 N ATOM 0 H ASN A 66 13.501 -2.224 -6.836 1.00 73.41 H new ATOM 0 HA ASN A 66 11.702 -0.142 -6.214 1.00 70.20 H new ATOM 0 HB2 ASN A 66 12.966 -2.137 -4.303 1.00 63.11 H new ATOM 0 HB3 ASN A 66 11.510 -1.204 -4.022 1.00 63.11 H new ATOM 0 HD21 ASN A 66 10.866 -4.800 -5.241 1.00 41.24 H new ATOM 0 HD22 ASN A 66 11.991 -4.144 -4.047 1.00 41.24 H new ATOM 903 N ARG A 67 13.036 1.549 -4.835 1.00 31.33 N ATOM 904 CA ARG A 67 13.775 2.554 -4.062 1.00 62.00 C ATOM 905 C ARG A 67 13.596 2.322 -2.554 1.00 63.24 C ATOM 906 O ARG A 67 13.210 3.239 -1.827 1.00 42.24 O ATOM 907 CB ARG A 67 13.352 3.968 -4.503 1.00 12.52 C ATOM 908 CG ARG A 67 13.950 4.380 -5.848 1.00 3.15 C ATOM 909 CD ARG A 67 13.653 5.865 -6.133 1.00 5.52 C ATOM 910 NE ARG A 67 14.889 6.620 -6.452 1.00 30.23 N ATOM 911 CZ ARG A 67 15.499 7.522 -5.664 1.00 1.21 C ATOM 912 NH1 ARG A 67 14.953 7.930 -4.525 1.00 10.52 N ATOM 913 NH2 ARG A 67 16.686 8.009 -5.984 1.00 21.33 N ATOM 0 H ARG A 67 12.134 1.880 -5.177 1.00 31.33 H new ATOM 0 HA ARG A 67 14.842 2.456 -4.263 1.00 62.00 H new ATOM 0 HB2 ARG A 67 12.265 4.012 -4.567 1.00 12.52 H new ATOM 0 HB3 ARG A 67 13.656 4.686 -3.741 1.00 12.52 H new ATOM 0 HG2 ARG A 67 15.027 4.212 -5.841 1.00 3.15 H new ATOM 0 HG3 ARG A 67 13.536 3.760 -6.643 1.00 3.15 H new ATOM 0 HD2 ARG A 67 12.954 5.943 -6.966 1.00 5.52 H new ATOM 0 HD3 ARG A 67 13.167 6.312 -5.266 1.00 5.52 H new ATOM 0 HE ARG A 67 15.319 6.437 -7.359 1.00 30.23 H new ATOM 0 HH11 ARG A 67 14.050 7.558 -4.230 1.00 10.52 H new ATOM 0 HH12 ARG A 67 15.436 8.616 -3.945 1.00 10.52 H new ATOM 0 HH21 ARG A 67 17.150 7.701 -6.838 1.00 21.33 H new ATOM 0 HH22 ARG A 67 17.137 8.693 -5.377 1.00 21.33 H new ATOM 924 N GLY A 68 13.810 1.090 -2.084 1.00 10.15 N ATOM 925 CA GLY A 68 13.815 0.759 -0.663 1.00 71.13 C ATOM 926 C GLY A 68 12.457 0.894 0.027 1.00 13.31 C ATOM 927 O GLY A 68 12.387 0.716 1.242 1.00 53.53 O ATOM 0 H GLY A 68 13.986 0.288 -2.689 1.00 10.15 H new ATOM 0 HA2 GLY A 68 14.168 -0.265 -0.543 1.00 71.13 H new ATOM 0 HA3 GLY A 68 14.531 1.405 -0.155 1.00 71.13 H new ATOM 931 N PHE A 69 11.385 1.209 -0.709 1.00 70.44 N ATOM 932 CA PHE A 69 10.119 1.665 -0.158 1.00 10.31 C ATOM 933 C PHE A 69 8.947 1.292 -1.066 1.00 64.24 C ATOM 934 O PHE A 69 9.149 0.865 -2.206 1.00 5.51 O ATOM 935 CB PHE A 69 10.186 3.185 0.063 1.00 63.20 C ATOM 936 CG PHE A 69 9.909 4.107 -1.117 1.00 63.40 C ATOM 937 CD1 PHE A 69 10.221 3.775 -2.452 1.00 11.53 C ATOM 938 CD2 PHE A 69 9.319 5.351 -0.847 1.00 54.34 C ATOM 939 CE1 PHE A 69 9.921 4.667 -3.493 1.00 52.43 C ATOM 940 CE2 PHE A 69 9.003 6.239 -1.886 1.00 63.41 C ATOM 941 CZ PHE A 69 9.308 5.894 -3.215 1.00 22.04 C ATOM 0 H PHE A 69 11.381 1.150 -1.727 1.00 70.44 H new ATOM 0 HA PHE A 69 9.949 1.168 0.797 1.00 10.31 H new ATOM 0 HB2 PHE A 69 9.478 3.436 0.852 1.00 63.20 H new ATOM 0 HB3 PHE A 69 11.181 3.421 0.441 1.00 63.20 H new ATOM 0 HD1 PHE A 69 10.693 2.829 -2.674 1.00 11.53 H new ATOM 0 HD2 PHE A 69 9.105 5.629 0.175 1.00 54.34 H new ATOM 0 HE1 PHE A 69 10.164 4.406 -4.512 1.00 52.43 H new ATOM 0 HE2 PHE A 69 8.528 7.184 -1.666 1.00 63.41 H new ATOM 0 HZ PHE A 69 9.070 6.574 -4.019 1.00 22.04 H new ATOM 950 N ALA A 70 7.732 1.476 -0.559 1.00 50.52 N ATOM 951 CA ALA A 70 6.459 1.292 -1.245 1.00 41.14 C ATOM 952 C ALA A 70 5.417 2.183 -0.549 1.00 13.13 C ATOM 953 O ALA A 70 5.753 2.872 0.416 1.00 30.42 O ATOM 954 CB ALA A 70 6.076 -0.196 -1.237 1.00 21.02 C ATOM 0 H ALA A 70 7.603 1.778 0.407 1.00 50.52 H new ATOM 0 HA ALA A 70 6.520 1.588 -2.292 1.00 41.14 H new ATOM 0 HB1 ALA A 70 5.124 -0.329 -1.751 1.00 21.02 H new ATOM 0 HB2 ALA A 70 6.847 -0.773 -1.747 1.00 21.02 H new ATOM 0 HB3 ALA A 70 5.985 -0.543 -0.208 1.00 21.02 H new ATOM 960 N PHE A 71 4.164 2.184 -1.005 1.00 30.05 N ATOM 961 CA PHE A 71 3.081 2.996 -0.454 1.00 14.11 C ATOM 962 C PHE A 71 1.801 2.171 -0.337 1.00 4.35 C ATOM 963 O PHE A 71 1.638 1.179 -1.046 1.00 63.22 O ATOM 964 CB PHE A 71 2.808 4.193 -1.376 1.00 63.32 C ATOM 965 CG PHE A 71 3.502 5.490 -1.029 1.00 70.24 C ATOM 966 CD1 PHE A 71 3.456 5.979 0.289 1.00 1.32 C ATOM 967 CD2 PHE A 71 4.081 6.274 -2.046 1.00 21.04 C ATOM 968 CE1 PHE A 71 4.007 7.231 0.593 1.00 31.24 C ATOM 969 CE2 PHE A 71 4.615 7.536 -1.741 1.00 71.02 C ATOM 970 CZ PHE A 71 4.605 8.002 -0.418 1.00 1.43 C ATOM 0 H PHE A 71 3.867 1.604 -1.790 1.00 30.05 H new ATOM 0 HA PHE A 71 3.383 3.343 0.534 1.00 14.11 H new ATOM 0 HB2 PHE A 71 3.096 3.914 -2.390 1.00 63.32 H new ATOM 0 HB3 PHE A 71 1.733 4.375 -1.388 1.00 63.32 H new ATOM 0 HD1 PHE A 71 2.996 5.389 1.068 1.00 1.32 H new ATOM 0 HD2 PHE A 71 4.114 5.904 -3.060 1.00 21.04 H new ATOM 0 HE1 PHE A 71 3.972 7.604 1.606 1.00 31.24 H new ATOM 0 HE2 PHE A 71 5.034 8.149 -2.526 1.00 71.02 H new ATOM 0 HZ PHE A 71 5.057 8.953 -0.177 1.00 1.43 H new ATOM 979 N ILE A 72 0.877 2.620 0.516 1.00 45.13 N ATOM 980 CA ILE A 72 -0.437 2.043 0.755 1.00 62.01 C ATOM 981 C ILE A 72 -1.414 3.218 0.907 1.00 52.30 C ATOM 982 O ILE A 72 -1.308 4.002 1.858 1.00 32.01 O ATOM 983 CB ILE A 72 -0.389 1.142 2.012 1.00 23.43 C ATOM 984 CG1 ILE A 72 0.525 -0.095 1.834 1.00 61.01 C ATOM 985 CG2 ILE A 72 -1.807 0.680 2.401 1.00 24.34 C ATOM 986 CD1 ILE A 72 0.882 -0.792 3.152 1.00 62.40 C ATOM 0 H ILE A 72 1.042 3.447 1.090 1.00 45.13 H new ATOM 0 HA ILE A 72 -0.765 1.406 -0.066 1.00 62.01 H new ATOM 0 HB ILE A 72 0.037 1.752 2.809 1.00 23.43 H new ATOM 0 HG12 ILE A 72 0.030 -0.810 1.177 1.00 61.01 H new ATOM 0 HG13 ILE A 72 1.444 0.212 1.335 1.00 61.01 H new ATOM 0 HG21 ILE A 72 -1.753 0.047 3.287 1.00 24.34 H new ATOM 0 HG22 ILE A 72 -2.428 1.550 2.614 1.00 24.34 H new ATOM 0 HG23 ILE A 72 -2.244 0.115 1.578 1.00 24.34 H new ATOM 0 HD11 ILE A 72 1.524 -1.649 2.948 1.00 62.40 H new ATOM 0 HD12 ILE A 72 1.406 -0.092 3.803 1.00 62.40 H new ATOM 0 HD13 ILE A 72 -0.030 -1.131 3.643 1.00 62.40 H new ATOM 997 N GLN A 73 -2.353 3.345 -0.033 1.00 53.32 N ATOM 998 CA GLN A 73 -3.512 4.229 0.050 1.00 32.21 C ATOM 999 C GLN A 73 -4.553 3.580 0.966 1.00 33.03 C ATOM 1000 O GLN A 73 -4.842 2.386 0.815 1.00 65.00 O ATOM 1001 CB GLN A 73 -4.086 4.415 -1.368 1.00 30.13 C ATOM 1002 CG GLN A 73 -5.057 5.594 -1.515 1.00 62.14 C ATOM 1003 CD GLN A 73 -6.405 5.407 -0.824 1.00 52.54 C ATOM 1004 OE1 GLN A 73 -7.143 4.462 -1.081 1.00 25.24 O ATOM 1005 NE2 GLN A 73 -6.741 6.282 0.111 1.00 43.12 N ATOM 0 H GLN A 73 -2.324 2.815 -0.904 1.00 53.32 H new ATOM 0 HA GLN A 73 -3.235 5.202 0.456 1.00 32.21 H new ATOM 0 HB2 GLN A 73 -3.259 4.553 -2.065 1.00 30.13 H new ATOM 0 HB3 GLN A 73 -4.600 3.499 -1.661 1.00 30.13 H new ATOM 0 HG2 GLN A 73 -4.581 6.489 -1.115 1.00 62.14 H new ATOM 0 HG3 GLN A 73 -5.231 5.772 -2.576 1.00 62.14 H new ATOM 0 HE21 GLN A 73 -6.124 7.066 0.321 1.00 43.12 H new ATOM 0 HE22 GLN A 73 -7.617 6.172 0.621 1.00 43.12 H new ATOM 1012 N LEU A 74 -5.145 4.346 1.887 1.00 1.45 N ATOM 1013 CA LEU A 74 -6.179 3.833 2.781 1.00 65.00 C ATOM 1014 C LEU A 74 -7.057 4.952 3.343 1.00 11.41 C ATOM 1015 O LEU A 74 -6.793 6.133 3.110 1.00 10.31 O ATOM 1016 CB LEU A 74 -5.488 3.061 3.923 1.00 43.34 C ATOM 1017 CG LEU A 74 -6.072 1.647 4.101 1.00 42.12 C ATOM 1018 CD1 LEU A 74 -4.958 0.609 4.016 1.00 1.31 C ATOM 1019 CD2 LEU A 74 -6.816 1.540 5.428 1.00 22.12 C ATOM 0 H LEU A 74 -4.921 5.331 2.031 1.00 1.45 H new ATOM 0 HA LEU A 74 -6.839 3.173 2.219 1.00 65.00 H new ATOM 0 HB2 LEU A 74 -4.420 2.989 3.717 1.00 43.34 H new ATOM 0 HB3 LEU A 74 -5.596 3.618 4.854 1.00 43.34 H new ATOM 0 HG LEU A 74 -6.785 1.455 3.299 1.00 42.12 H new ATOM 0 HD11 LEU A 74 -5.379 -0.388 4.143 1.00 1.31 H new ATOM 0 HD12 LEU A 74 -4.472 0.676 3.043 1.00 1.31 H new ATOM 0 HD13 LEU A 74 -4.226 0.796 4.801 1.00 1.31 H new ATOM 0 HD21 LEU A 74 -7.222 0.534 5.537 1.00 22.12 H new ATOM 0 HD22 LEU A 74 -6.128 1.745 6.248 1.00 22.12 H new ATOM 0 HD23 LEU A 74 -7.630 2.264 5.448 1.00 22.12 H new ATOM 1030 N SER A 75 -8.092 4.583 4.103 1.00 72.33 N ATOM 1031 CA SER A 75 -8.852 5.508 4.942 1.00 33.14 C ATOM 1032 C SER A 75 -7.974 6.076 6.068 1.00 24.42 C ATOM 1033 O SER A 75 -6.914 5.527 6.359 1.00 25.14 O ATOM 1034 CB SER A 75 -10.057 4.779 5.534 1.00 44.40 C ATOM 1035 OG SER A 75 -10.837 4.151 4.530 1.00 74.11 O ATOM 0 H SER A 75 -8.428 3.621 4.152 1.00 72.33 H new ATOM 0 HA SER A 75 -9.192 6.341 4.327 1.00 33.14 H new ATOM 0 HB2 SER A 75 -9.714 4.031 6.249 1.00 44.40 H new ATOM 0 HB3 SER A 75 -10.676 5.487 6.085 1.00 44.40 H new ATOM 0 HG SER A 75 -11.598 3.693 4.945 1.00 74.11 H new ATOM 1040 N THR A 76 -8.409 7.161 6.710 1.00 13.24 N ATOM 1041 CA THR A 76 -7.615 7.932 7.660 1.00 43.41 C ATOM 1042 C THR A 76 -7.222 7.102 8.890 1.00 13.31 C ATOM 1043 O THR A 76 -6.069 6.695 9.033 1.00 44.41 O ATOM 1044 CB THR A 76 -8.321 9.250 8.030 1.00 52.43 C ATOM 1045 OG1 THR A 76 -9.678 9.031 8.361 1.00 33.45 O ATOM 1046 CG2 THR A 76 -8.294 10.280 6.894 1.00 23.01 C ATOM 0 H THR A 76 -9.349 7.535 6.578 1.00 13.24 H new ATOM 0 HA THR A 76 -6.679 8.200 7.171 1.00 43.41 H new ATOM 0 HB THR A 76 -7.767 9.638 8.885 1.00 52.43 H new ATOM 0 HG1 THR A 76 -10.100 9.885 8.593 1.00 33.45 H new ATOM 0 HG21 THR A 76 -8.806 11.187 7.213 1.00 23.01 H new ATOM 0 HG22 THR A 76 -7.260 10.517 6.642 1.00 23.01 H new ATOM 0 HG23 THR A 76 -8.796 9.869 6.018 1.00 23.01 H new ATOM 1054 N ILE A 77 -8.182 6.827 9.777 1.00 22.41 N ATOM 1055 CA ILE A 77 -7.933 6.107 11.024 1.00 4.55 C ATOM 1056 C ILE A 77 -7.420 4.702 10.729 1.00 71.43 C ATOM 1057 O ILE A 77 -6.556 4.186 11.433 1.00 43.40 O ATOM 1058 CB ILE A 77 -9.203 6.112 11.891 1.00 44.10 C ATOM 1059 CG1 ILE A 77 -9.483 7.550 12.375 1.00 74.42 C ATOM 1060 CG2 ILE A 77 -9.144 5.133 13.076 1.00 21.21 C ATOM 1061 CD1 ILE A 77 -8.467 8.159 13.357 1.00 1.12 C ATOM 0 H ILE A 77 -9.156 7.099 9.648 1.00 22.41 H new ATOM 0 HA ILE A 77 -7.153 6.610 11.595 1.00 4.55 H new ATOM 0 HB ILE A 77 -10.024 5.761 11.266 1.00 44.10 H new ATOM 0 HG12 ILE A 77 -9.541 8.198 11.500 1.00 74.42 H new ATOM 0 HG13 ILE A 77 -10.465 7.565 12.849 1.00 74.42 H new ATOM 0 HG21 ILE A 77 -10.073 5.191 13.642 1.00 21.21 H new ATOM 0 HG22 ILE A 77 -9.009 4.118 12.703 1.00 21.21 H new ATOM 0 HG23 ILE A 77 -8.307 5.396 13.724 1.00 21.21 H new ATOM 0 HD11 ILE A 77 -8.777 9.170 13.620 1.00 1.12 H new ATOM 0 HD12 ILE A 77 -8.421 7.548 14.258 1.00 1.12 H new ATOM 0 HD13 ILE A 77 -7.483 8.191 12.889 1.00 1.12 H new ATOM 1072 N GLU A 78 -7.934 4.083 9.672 1.00 54.44 N ATOM 1073 CA GLU A 78 -7.596 2.712 9.335 1.00 41.43 C ATOM 1074 C GLU A 78 -6.152 2.606 8.834 1.00 13.32 C ATOM 1075 O GLU A 78 -5.543 1.553 8.987 1.00 23.13 O ATOM 1076 CB GLU A 78 -8.600 2.166 8.318 1.00 30.13 C ATOM 1077 CG GLU A 78 -10.064 2.319 8.758 1.00 71.33 C ATOM 1078 CD GLU A 78 -10.442 1.481 9.986 1.00 1.14 C ATOM 1079 OE1 GLU A 78 -9.984 1.769 11.118 1.00 32.21 O ATOM 1080 OE2 GLU A 78 -11.297 0.578 9.831 1.00 74.00 O ATOM 0 H GLU A 78 -8.594 4.519 9.029 1.00 54.44 H new ATOM 0 HA GLU A 78 -7.659 2.099 10.234 1.00 41.43 H new ATOM 0 HB2 GLU A 78 -8.459 2.681 7.368 1.00 30.13 H new ATOM 0 HB3 GLU A 78 -8.390 1.111 8.143 1.00 30.13 H new ATOM 0 HG2 GLU A 78 -10.259 3.369 8.975 1.00 71.33 H new ATOM 0 HG3 GLU A 78 -10.712 2.039 7.928 1.00 71.33 H new ATOM 1085 N ALA A 79 -5.567 3.665 8.268 1.00 45.33 N ATOM 1086 CA ALA A 79 -4.121 3.730 8.075 1.00 13.42 C ATOM 1087 C ALA A 79 -3.476 3.811 9.463 1.00 72.44 C ATOM 1088 O ALA A 79 -2.691 2.940 9.837 1.00 13.55 O ATOM 1089 CB ALA A 79 -3.753 4.939 7.204 1.00 31.05 C ATOM 0 H ALA A 79 -6.074 4.486 7.937 1.00 45.33 H new ATOM 0 HA ALA A 79 -3.755 2.846 7.553 1.00 13.42 H new ATOM 0 HB1 ALA A 79 -2.672 4.974 7.069 1.00 31.05 H new ATOM 0 HB2 ALA A 79 -4.238 4.848 6.232 1.00 31.05 H new ATOM 0 HB3 ALA A 79 -4.088 5.854 7.692 1.00 31.05 H new ATOM 1095 N ALA A 80 -3.843 4.847 10.225 1.00 24.31 N ATOM 1096 CA ALA A 80 -3.223 5.220 11.487 1.00 24.05 C ATOM 1097 C ALA A 80 -3.092 4.045 12.461 1.00 54.41 C ATOM 1098 O ALA A 80 -2.020 3.880 13.043 1.00 73.01 O ATOM 1099 CB ALA A 80 -4.026 6.355 12.135 1.00 3.21 C ATOM 0 H ALA A 80 -4.609 5.468 9.964 1.00 24.31 H new ATOM 0 HA ALA A 80 -2.209 5.553 11.263 1.00 24.05 H new ATOM 0 HB1 ALA A 80 -3.562 6.635 13.081 1.00 3.21 H new ATOM 0 HB2 ALA A 80 -4.040 7.217 11.468 1.00 3.21 H new ATOM 0 HB3 ALA A 80 -5.047 6.020 12.317 1.00 3.21 H new ATOM 1105 N GLN A 81 -4.162 3.269 12.670 1.00 45.12 N ATOM 1106 CA GLN A 81 -4.233 2.156 13.618 1.00 62.10 C ATOM 1107 C GLN A 81 -3.421 0.948 13.175 1.00 12.44 C ATOM 1108 O GLN A 81 -2.797 0.286 14.007 1.00 50.24 O ATOM 1109 CB GLN A 81 -5.705 1.776 13.860 1.00 14.54 C ATOM 1110 CG GLN A 81 -6.479 1.197 12.654 1.00 5.52 C ATOM 1111 CD GLN A 81 -7.114 -0.166 12.899 1.00 45.42 C ATOM 1112 OE1 GLN A 81 -6.508 -1.052 13.496 1.00 73.31 O ATOM 1113 NE2 GLN A 81 -8.322 -0.361 12.393 1.00 23.13 N ATOM 0 H GLN A 81 -5.036 3.407 12.162 1.00 45.12 H new ATOM 0 HA GLN A 81 -3.785 2.492 14.553 1.00 62.10 H new ATOM 0 HB2 GLN A 81 -5.740 1.046 14.669 1.00 14.54 H new ATOM 0 HB3 GLN A 81 -6.233 2.664 14.209 1.00 14.54 H new ATOM 0 HG2 GLN A 81 -7.261 1.901 12.370 1.00 5.52 H new ATOM 0 HG3 GLN A 81 -5.798 1.118 11.807 1.00 5.52 H new ATOM 0 HE21 GLN A 81 -8.798 0.396 11.903 1.00 23.13 H new ATOM 0 HE22 GLN A 81 -8.777 -1.269 12.494 1.00 23.13 H new ATOM 1120 N LEU A 82 -3.419 0.660 11.873 1.00 13.22 N ATOM 1121 CA LEU A 82 -2.830 -0.569 11.363 1.00 65.10 C ATOM 1122 C LEU A 82 -1.332 -0.557 11.613 1.00 45.31 C ATOM 1123 O LEU A 82 -0.773 -1.594 11.965 1.00 72.33 O ATOM 1124 CB LEU A 82 -3.122 -0.773 9.864 1.00 24.12 C ATOM 1125 CG LEU A 82 -4.135 -1.892 9.527 1.00 10.34 C ATOM 1126 CD1 LEU A 82 -3.736 -3.219 10.167 1.00 74.22 C ATOM 1127 CD2 LEU A 82 -5.583 -1.610 9.933 1.00 31.02 C ATOM 0 H LEU A 82 -3.820 1.264 11.156 1.00 13.22 H new ATOM 0 HA LEU A 82 -3.285 -1.405 11.894 1.00 65.10 H new ATOM 0 HB2 LEU A 82 -3.495 0.166 9.454 1.00 24.12 H new ATOM 0 HB3 LEU A 82 -2.183 -0.992 9.356 1.00 24.12 H new ATOM 0 HG LEU A 82 -4.099 -1.938 8.439 1.00 10.34 H new ATOM 0 HD11 LEU A 82 -4.470 -3.982 9.909 1.00 74.22 H new ATOM 0 HD12 LEU A 82 -2.755 -3.520 9.799 1.00 74.22 H new ATOM 0 HD13 LEU A 82 -3.698 -3.104 11.250 1.00 74.22 H new ATOM 0 HD21 LEU A 82 -6.211 -2.456 9.652 1.00 31.02 H new ATOM 0 HD22 LEU A 82 -5.636 -1.461 11.011 1.00 31.02 H new ATOM 0 HD23 LEU A 82 -5.935 -0.712 9.425 1.00 31.02 H new ATOM 1138 N LEU A 83 -0.702 0.618 11.507 1.00 44.22 N ATOM 1139 CA LEU A 83 0.709 0.830 11.790 1.00 72.32 C ATOM 1140 C LEU A 83 1.116 0.171 13.106 1.00 25.41 C ATOM 1141 O LEU A 83 2.130 -0.524 13.150 1.00 41.31 O ATOM 1142 CB LEU A 83 0.973 2.340 11.857 1.00 22.13 C ATOM 1143 CG LEU A 83 2.468 2.667 12.022 1.00 71.14 C ATOM 1144 CD1 LEU A 83 3.217 2.502 10.701 1.00 41.33 C ATOM 1145 CD2 LEU A 83 2.604 4.102 12.518 1.00 74.23 C ATOM 0 H LEU A 83 -1.181 1.469 11.212 1.00 44.22 H new ATOM 0 HA LEU A 83 1.302 0.376 10.996 1.00 72.32 H new ATOM 0 HB2 LEU A 83 0.599 2.812 10.949 1.00 22.13 H new ATOM 0 HB3 LEU A 83 0.416 2.767 12.691 1.00 22.13 H new ATOM 0 HG LEU A 83 2.904 1.975 12.742 1.00 71.14 H new ATOM 0 HD11 LEU A 83 4.271 2.740 10.848 1.00 41.33 H new ATOM 0 HD12 LEU A 83 3.122 1.473 10.355 1.00 41.33 H new ATOM 0 HD13 LEU A 83 2.794 3.176 9.956 1.00 41.33 H new ATOM 0 HD21 LEU A 83 3.659 4.347 12.639 1.00 74.23 H new ATOM 0 HD22 LEU A 83 2.155 4.781 11.794 1.00 74.23 H new ATOM 0 HD23 LEU A 83 2.095 4.205 13.476 1.00 74.23 H new ATOM 1156 N GLN A 84 0.315 0.354 14.158 1.00 52.41 N ATOM 1157 CA GLN A 84 0.644 -0.114 15.494 1.00 21.22 C ATOM 1158 C GLN A 84 0.626 -1.643 15.590 1.00 44.41 C ATOM 1159 O GLN A 84 1.246 -2.194 16.501 1.00 50.52 O ATOM 1160 CB GLN A 84 -0.320 0.512 16.513 1.00 30.14 C ATOM 1161 CG GLN A 84 0.062 1.946 16.926 1.00 54.31 C ATOM 1162 CD GLN A 84 -0.389 3.023 15.956 1.00 51.50 C ATOM 1163 OE1 GLN A 84 0.377 3.878 15.520 1.00 10.45 O ATOM 1164 NE2 GLN A 84 -1.668 3.054 15.650 1.00 45.11 N ATOM 0 H GLN A 84 -0.583 0.834 14.100 1.00 52.41 H new ATOM 0 HA GLN A 84 1.662 0.202 15.721 1.00 21.22 H new ATOM 0 HB2 GLN A 84 -1.325 0.520 16.092 1.00 30.14 H new ATOM 0 HB3 GLN A 84 -0.353 -0.117 17.403 1.00 30.14 H new ATOM 0 HG2 GLN A 84 -0.367 2.155 17.906 1.00 54.31 H new ATOM 0 HG3 GLN A 84 1.145 2.003 17.034 1.00 54.31 H new ATOM 0 HE21 GLN A 84 -2.297 2.340 16.016 1.00 45.11 H new ATOM 0 HE22 GLN A 84 -2.030 3.792 15.046 1.00 45.11 H new ATOM 1171 N ILE A 85 -0.063 -2.334 14.681 1.00 23.15 N ATOM 1172 CA ILE A 85 -0.057 -3.791 14.581 1.00 12.32 C ATOM 1173 C ILE A 85 1.200 -4.239 13.823 1.00 52.52 C ATOM 1174 O ILE A 85 1.842 -5.220 14.207 1.00 43.22 O ATOM 1175 CB ILE A 85 -1.365 -4.264 13.908 1.00 62.04 C ATOM 1176 CG1 ILE A 85 -2.577 -3.998 14.827 1.00 30.05 C ATOM 1177 CG2 ILE A 85 -1.287 -5.768 13.600 1.00 3.14 C ATOM 1178 CD1 ILE A 85 -3.901 -3.919 14.059 1.00 41.43 C ATOM 0 H ILE A 85 -0.653 -1.885 13.980 1.00 23.15 H new ATOM 0 HA ILE A 85 -0.021 -4.250 15.569 1.00 12.32 H new ATOM 0 HB ILE A 85 -1.490 -3.705 12.980 1.00 62.04 H new ATOM 0 HG12 ILE A 85 -2.642 -4.790 15.573 1.00 30.05 H new ATOM 0 HG13 ILE A 85 -2.419 -3.064 15.367 1.00 30.05 H new ATOM 0 HG21 ILE A 85 -2.214 -6.091 13.126 1.00 3.14 H new ATOM 0 HG22 ILE A 85 -0.450 -5.959 12.928 1.00 3.14 H new ATOM 0 HG23 ILE A 85 -1.142 -6.322 14.527 1.00 3.14 H new ATOM 0 HD11 ILE A 85 -4.716 -3.731 14.758 1.00 41.43 H new ATOM 0 HD12 ILE A 85 -3.852 -3.109 13.332 1.00 41.43 H new ATOM 0 HD13 ILE A 85 -4.078 -4.862 13.541 1.00 41.43 H new ATOM 1189 N LEU A 86 1.594 -3.507 12.772 1.00 14.55 N ATOM 1190 CA LEU A 86 2.785 -3.799 11.975 1.00 23.23 C ATOM 1191 C LEU A 86 4.068 -3.733 12.810 1.00 42.54 C ATOM 1192 O LEU A 86 5.100 -4.281 12.412 1.00 34.04 O ATOM 1193 CB LEU A 86 2.901 -2.843 10.781 1.00 4.13 C ATOM 1194 CG LEU A 86 1.680 -2.678 9.860 1.00 4.51 C ATOM 1195 CD1 LEU A 86 2.097 -1.857 8.637 1.00 1.43 C ATOM 1196 CD2 LEU A 86 1.030 -3.998 9.433 1.00 52.33 C ATOM 0 H LEU A 86 1.084 -2.684 12.450 1.00 14.55 H new ATOM 0 HA LEU A 86 2.669 -4.819 11.608 1.00 23.23 H new ATOM 0 HB2 LEU A 86 3.162 -1.858 11.168 1.00 4.13 H new ATOM 0 HB3 LEU A 86 3.738 -3.177 10.168 1.00 4.13 H new ATOM 0 HG LEU A 86 0.911 -2.160 10.433 1.00 4.51 H new ATOM 0 HD11 LEU A 86 1.241 -1.731 7.974 1.00 1.43 H new ATOM 0 HD12 LEU A 86 2.453 -0.878 8.960 1.00 1.43 H new ATOM 0 HD13 LEU A 86 2.895 -2.376 8.105 1.00 1.43 H new ATOM 0 HD21 LEU A 86 0.178 -3.791 8.786 1.00 52.33 H new ATOM 0 HD22 LEU A 86 1.757 -4.604 8.892 1.00 52.33 H new ATOM 0 HD23 LEU A 86 0.692 -4.540 10.316 1.00 52.33 H new ATOM 1207 N GLN A 87 4.023 -3.112 13.988 1.00 51.14 N ATOM 1208 CA GLN A 87 5.125 -3.125 14.937 1.00 31.42 C ATOM 1209 C GLN A 87 5.438 -4.528 15.459 1.00 23.04 C ATOM 1210 O GLN A 87 6.579 -4.760 15.860 1.00 53.53 O ATOM 1211 CB GLN A 87 4.831 -2.167 16.094 1.00 21.35 C ATOM 1212 CG GLN A 87 4.664 -0.712 15.631 1.00 43.14 C ATOM 1213 CD GLN A 87 5.918 -0.081 15.023 1.00 52.50 C ATOM 1214 OE1 GLN A 87 7.035 -0.543 15.238 1.00 53.30 O ATOM 1215 NE2 GLN A 87 5.771 1.003 14.282 1.00 31.35 N ATOM 0 H GLN A 87 3.212 -2.583 14.309 1.00 51.14 H new ATOM 0 HA GLN A 87 6.015 -2.787 14.406 1.00 31.42 H new ATOM 0 HB2 GLN A 87 3.923 -2.488 16.604 1.00 21.35 H new ATOM 0 HB3 GLN A 87 5.642 -2.222 16.821 1.00 21.35 H new ATOM 0 HG2 GLN A 87 3.861 -0.670 14.895 1.00 43.14 H new ATOM 0 HG3 GLN A 87 4.348 -0.109 16.482 1.00 43.14 H new ATOM 0 HE21 GLN A 87 4.839 1.380 14.109 1.00 31.35 H new ATOM 0 HE22 GLN A 87 6.589 1.463 13.883 1.00 31.35 H new ATOM 1222 N ALA A 88 4.505 -5.484 15.383 1.00 64.34 N ATOM 1223 CA ALA A 88 4.638 -6.774 16.047 1.00 74.22 C ATOM 1224 C ALA A 88 4.613 -7.964 15.090 1.00 65.03 C ATOM 1225 O ALA A 88 4.797 -9.093 15.553 1.00 73.43 O ATOM 1226 CB ALA A 88 3.525 -6.907 17.083 1.00 43.12 C ATOM 0 H ALA A 88 3.637 -5.379 14.857 1.00 64.34 H new ATOM 0 HA ALA A 88 5.620 -6.796 16.520 1.00 74.22 H new ATOM 0 HB1 ALA A 88 3.612 -7.869 17.589 1.00 43.12 H new ATOM 0 HB2 ALA A 88 3.611 -6.103 17.814 1.00 43.12 H new ATOM 0 HB3 ALA A 88 2.557 -6.844 16.587 1.00 43.12 H new ATOM 1232 N LEU A 89 4.409 -7.754 13.787 1.00 72.10 N ATOM 1233 CA LEU A 89 4.379 -8.845 12.811 1.00 51.31 C ATOM 1234 C LEU A 89 5.360 -8.571 11.689 1.00 30.01 C ATOM 1235 O LEU A 89 5.707 -7.419 11.424 1.00 71.22 O ATOM 1236 CB LEU A 89 2.944 -9.134 12.327 1.00 25.45 C ATOM 1237 CG LEU A 89 2.310 -8.136 11.329 1.00 32.43 C ATOM 1238 CD1 LEU A 89 2.739 -8.354 9.876 1.00 2.25 C ATOM 1239 CD2 LEU A 89 0.785 -8.252 11.427 1.00 12.31 C ATOM 0 H LEU A 89 4.261 -6.830 13.382 1.00 72.10 H new ATOM 0 HA LEU A 89 4.707 -9.765 13.294 1.00 51.31 H new ATOM 0 HB2 LEU A 89 2.938 -10.121 11.865 1.00 25.45 H new ATOM 0 HB3 LEU A 89 2.298 -9.188 13.204 1.00 25.45 H new ATOM 0 HG LEU A 89 2.661 -7.142 11.606 1.00 32.43 H new ATOM 0 HD11 LEU A 89 2.253 -7.616 9.238 1.00 2.25 H new ATOM 0 HD12 LEU A 89 3.821 -8.246 9.796 1.00 2.25 H new ATOM 0 HD13 LEU A 89 2.450 -9.355 9.558 1.00 2.25 H new ATOM 0 HD21 LEU A 89 0.321 -7.555 10.729 1.00 12.31 H new ATOM 0 HD22 LEU A 89 0.481 -9.269 11.179 1.00 12.31 H new ATOM 0 HD23 LEU A 89 0.467 -8.015 12.442 1.00 12.31 H new ATOM 1250 N HIS A 90 5.762 -9.627 10.995 1.00 62.44 N ATOM 1251 CA HIS A 90 6.608 -9.618 9.813 1.00 63.41 C ATOM 1252 C HIS A 90 6.027 -10.658 8.842 1.00 43.30 C ATOM 1253 O HIS A 90 5.334 -11.572 9.293 1.00 11.45 O ATOM 1254 CB HIS A 90 8.043 -9.991 10.226 1.00 10.35 C ATOM 1255 CG HIS A 90 8.891 -8.883 10.799 1.00 23.24 C ATOM 1256 ND1 HIS A 90 8.521 -7.580 11.057 1.00 53.42 N ATOM 1257 CD2 HIS A 90 10.243 -8.966 10.972 1.00 65.12 C ATOM 1258 CE1 HIS A 90 9.627 -6.884 11.363 1.00 3.12 C ATOM 1259 NE2 HIS A 90 10.701 -7.694 11.325 1.00 44.52 N ATOM 0 H HIS A 90 5.487 -10.573 11.261 1.00 62.44 H new ATOM 0 HA HIS A 90 6.637 -8.638 9.337 1.00 63.41 H new ATOM 0 HB2 HIS A 90 7.988 -10.793 10.962 1.00 10.35 H new ATOM 0 HB3 HIS A 90 8.555 -10.395 9.352 1.00 10.35 H new ATOM 0 HD1 HIS A 90 7.571 -7.209 11.021 1.00 53.42 H new ATOM 0 HD2 HIS A 90 10.848 -9.853 10.857 1.00 65.12 H new ATOM 0 HE1 HIS A 90 9.651 -5.831 11.604 1.00 3.12 H new ATOM 1266 N PRO A 91 6.257 -10.546 7.524 1.00 54.43 N ATOM 1267 CA PRO A 91 5.720 -11.485 6.544 1.00 70.31 C ATOM 1268 C PRO A 91 6.584 -12.755 6.436 1.00 74.20 C ATOM 1269 O PRO A 91 7.712 -12.800 6.943 1.00 22.43 O ATOM 1270 CB PRO A 91 5.735 -10.702 5.225 1.00 70.22 C ATOM 1271 CG PRO A 91 7.001 -9.871 5.371 1.00 3.33 C ATOM 1272 CD PRO A 91 6.998 -9.490 6.851 1.00 41.12 C ATOM 0 HA PRO A 91 4.724 -11.834 6.818 1.00 70.31 H new ATOM 0 HB2 PRO A 91 5.777 -11.362 4.358 1.00 70.22 H new ATOM 0 HB3 PRO A 91 4.848 -10.079 5.109 1.00 70.22 H new ATOM 0 HG2 PRO A 91 7.890 -10.441 5.104 1.00 3.33 H new ATOM 0 HG3 PRO A 91 6.982 -8.991 4.728 1.00 3.33 H new ATOM 0 HD2 PRO A 91 8.014 -9.415 7.239 1.00 41.12 H new ATOM 0 HD3 PRO A 91 6.526 -8.520 7.005 1.00 41.12 H new ATOM 1277 N PRO A 92 6.117 -13.764 5.681 1.00 51.22 N ATOM 1278 CA PRO A 92 6.978 -14.798 5.126 1.00 30.24 C ATOM 1279 C PRO A 92 7.962 -14.190 4.110 1.00 24.04 C ATOM 1280 O PRO A 92 9.172 -14.363 4.255 1.00 71.02 O ATOM 1281 CB PRO A 92 6.026 -15.832 4.512 1.00 62.41 C ATOM 1282 CG PRO A 92 4.744 -15.051 4.226 1.00 23.32 C ATOM 1283 CD PRO A 92 4.726 -13.975 5.303 1.00 10.52 C ATOM 0 HA PRO A 92 7.611 -15.274 5.875 1.00 30.24 H new ATOM 0 HB2 PRO A 92 6.441 -16.261 3.600 1.00 62.41 H new ATOM 0 HB3 PRO A 92 5.842 -16.659 5.198 1.00 62.41 H new ATOM 0 HG2 PRO A 92 4.755 -14.616 3.226 1.00 23.32 H new ATOM 0 HG3 PRO A 92 3.864 -15.691 4.285 1.00 23.32 H new ATOM 0 HD2 PRO A 92 4.279 -13.054 4.928 1.00 10.52 H new ATOM 0 HD3 PRO A 92 4.132 -14.291 6.161 1.00 10.52 H new ATOM 1288 N LEU A 93 7.454 -13.456 3.109 1.00 62.23 N ATOM 1289 CA LEU A 93 8.184 -12.906 1.959 1.00 11.13 C ATOM 1290 C LEU A 93 9.421 -12.116 2.402 1.00 63.20 C ATOM 1291 O LEU A 93 9.293 -10.955 2.803 1.00 1.32 O ATOM 1292 CB LEU A 93 7.262 -12.016 1.096 1.00 32.34 C ATOM 1293 CG LEU A 93 6.470 -12.681 -0.044 1.00 65.04 C ATOM 1294 CD1 LEU A 93 7.397 -13.180 -1.158 1.00 22.04 C ATOM 1295 CD2 LEU A 93 5.544 -13.788 0.457 1.00 5.14 C ATOM 0 H LEU A 93 6.463 -13.217 3.080 1.00 62.23 H new ATOM 0 HA LEU A 93 8.521 -13.749 1.356 1.00 11.13 H new ATOM 0 HB2 LEU A 93 6.546 -11.534 1.762 1.00 32.34 H new ATOM 0 HB3 LEU A 93 7.874 -11.226 0.660 1.00 32.34 H new ATOM 0 HG LEU A 93 5.829 -11.909 -0.471 1.00 65.04 H new ATOM 0 HD11 LEU A 93 6.803 -13.644 -1.945 1.00 22.04 H new ATOM 0 HD12 LEU A 93 7.954 -12.339 -1.571 1.00 22.04 H new ATOM 0 HD13 LEU A 93 8.094 -13.912 -0.751 1.00 22.04 H new ATOM 0 HD21 LEU A 93 5.009 -14.224 -0.386 1.00 5.14 H new ATOM 0 HD22 LEU A 93 6.134 -14.560 0.951 1.00 5.14 H new ATOM 0 HD23 LEU A 93 4.828 -13.371 1.165 1.00 5.14 H new ATOM 1306 N THR A 94 10.615 -12.707 2.313 1.00 24.03 N ATOM 1307 CA THR A 94 11.857 -12.082 2.767 1.00 1.52 C ATOM 1308 C THR A 94 13.019 -12.470 1.842 1.00 74.04 C ATOM 1309 O THR A 94 13.865 -13.311 2.159 1.00 74.20 O ATOM 1310 CB THR A 94 12.145 -12.504 4.211 1.00 5.42 C ATOM 1311 OG1 THR A 94 11.000 -12.490 5.047 1.00 4.33 O ATOM 1312 CG2 THR A 94 13.210 -11.631 4.877 1.00 70.31 C ATOM 0 H THR A 94 10.747 -13.639 1.921 1.00 24.03 H new ATOM 0 HA THR A 94 11.748 -10.998 2.733 1.00 1.52 H new ATOM 0 HB THR A 94 12.503 -13.529 4.112 1.00 5.42 H new ATOM 0 HG1 THR A 94 10.384 -13.200 4.770 1.00 4.33 H new ATOM 0 HG21 THR A 94 13.375 -11.974 5.898 1.00 70.31 H new ATOM 0 HG22 THR A 94 14.142 -11.702 4.316 1.00 70.31 H new ATOM 0 HG23 THR A 94 12.873 -10.594 4.892 1.00 70.31 H new ATOM 1320 N ILE A 95 13.072 -11.834 0.680 1.00 23.45 N ATOM 1321 CA ILE A 95 14.180 -11.996 -0.259 1.00 54.20 C ATOM 1322 C ILE A 95 15.419 -11.400 0.399 1.00 54.22 C ATOM 1323 O ILE A 95 15.325 -10.359 1.052 1.00 12.12 O ATOM 1324 CB ILE A 95 13.867 -11.364 -1.643 1.00 65.24 C ATOM 1325 CG1 ILE A 95 14.750 -11.949 -2.765 1.00 63.14 C ATOM 1326 CG2 ILE A 95 14.011 -9.830 -1.676 1.00 64.43 C ATOM 1327 CD1 ILE A 95 14.407 -13.403 -3.089 1.00 64.00 C ATOM 0 H ILE A 95 12.349 -11.190 0.359 1.00 23.45 H new ATOM 0 HA ILE A 95 14.351 -13.051 -0.472 1.00 54.20 H new ATOM 0 HB ILE A 95 12.821 -11.617 -1.815 1.00 65.24 H new ATOM 0 HG12 ILE A 95 14.635 -11.344 -3.664 1.00 63.14 H new ATOM 0 HG13 ILE A 95 15.797 -11.884 -2.469 1.00 63.14 H new ATOM 0 HG21 ILE A 95 13.776 -9.464 -2.675 1.00 64.43 H new ATOM 0 HG22 ILE A 95 13.325 -9.385 -0.956 1.00 64.43 H new ATOM 0 HG23 ILE A 95 15.034 -9.555 -1.420 1.00 64.43 H new ATOM 0 HD11 ILE A 95 15.059 -13.762 -3.885 1.00 64.00 H new ATOM 0 HD12 ILE A 95 14.548 -14.017 -2.199 1.00 64.00 H new ATOM 0 HD13 ILE A 95 13.369 -13.468 -3.414 1.00 64.00 H new ATOM 1338 N ASP A 96 16.571 -12.046 0.243 1.00 31.35 N ATOM 1339 CA ASP A 96 17.909 -11.576 0.611 1.00 25.05 C ATOM 1340 C ASP A 96 18.124 -11.344 2.119 1.00 61.22 C ATOM 1341 O ASP A 96 19.246 -11.087 2.557 1.00 72.13 O ATOM 1342 CB ASP A 96 18.250 -10.327 -0.220 1.00 12.43 C ATOM 1343 CG ASP A 96 19.749 -10.111 -0.376 1.00 22.12 C ATOM 1344 OD1 ASP A 96 20.471 -11.105 -0.610 1.00 14.13 O ATOM 1345 OD2 ASP A 96 20.202 -8.945 -0.386 1.00 53.34 O ATOM 0 H ASP A 96 16.599 -12.977 -0.173 1.00 31.35 H new ATOM 0 HA ASP A 96 18.603 -12.383 0.375 1.00 25.05 H new ATOM 0 HB2 ASP A 96 17.796 -10.418 -1.207 1.00 12.43 H new ATOM 0 HB3 ASP A 96 17.809 -9.450 0.254 1.00 12.43 H new ATOM 1349 N GLY A 97 17.067 -11.491 2.925 1.00 52.24 N ATOM 1350 CA GLY A 97 17.008 -11.168 4.345 1.00 44.21 C ATOM 1351 C GLY A 97 16.269 -9.856 4.635 1.00 61.30 C ATOM 1352 O GLY A 97 16.344 -9.346 5.751 1.00 52.52 O ATOM 0 H GLY A 97 16.181 -11.860 2.579 1.00 52.24 H new ATOM 0 HA2 GLY A 97 16.513 -11.981 4.876 1.00 44.21 H new ATOM 0 HA3 GLY A 97 18.022 -11.101 4.738 1.00 44.21 H new ATOM 1356 N LYS A 98 15.574 -9.264 3.655 1.00 42.33 N ATOM 1357 CA LYS A 98 15.084 -7.893 3.767 1.00 4.23 C ATOM 1358 C LYS A 98 13.715 -7.868 4.408 1.00 50.13 C ATOM 1359 O LYS A 98 12.692 -7.893 3.723 1.00 42.21 O ATOM 1360 CB LYS A 98 15.133 -7.173 2.417 1.00 3.43 C ATOM 1361 CG LYS A 98 16.588 -7.007 1.974 1.00 13.21 C ATOM 1362 CD LYS A 98 17.394 -5.997 2.798 1.00 1.35 C ATOM 1363 CE LYS A 98 17.411 -4.625 2.135 1.00 54.32 C ATOM 1364 NZ LYS A 98 18.265 -3.697 2.902 1.00 32.13 N ATOM 0 H LYS A 98 15.340 -9.720 2.773 1.00 42.33 H new ATOM 0 HA LYS A 98 15.748 -7.335 4.427 1.00 4.23 H new ATOM 0 HB2 LYS A 98 14.578 -7.741 1.671 1.00 3.43 H new ATOM 0 HB3 LYS A 98 14.653 -6.197 2.497 1.00 3.43 H new ATOM 0 HG2 LYS A 98 17.083 -7.977 2.027 1.00 13.21 H new ATOM 0 HG3 LYS A 98 16.603 -6.698 0.929 1.00 13.21 H new ATOM 0 HD2 LYS A 98 16.965 -5.915 3.797 1.00 1.35 H new ATOM 0 HD3 LYS A 98 18.416 -6.357 2.919 1.00 1.35 H new ATOM 0 HE2 LYS A 98 17.782 -4.712 1.114 1.00 54.32 H new ATOM 0 HE3 LYS A 98 16.397 -4.230 2.074 1.00 54.32 H new ATOM 0 HZ1 LYS A 98 18.475 -2.859 2.323 1.00 32.13 H new ATOM 0 HZ2 LYS A 98 17.769 -3.403 3.768 1.00 32.13 H new ATOM 0 HZ3 LYS A 98 19.154 -4.173 3.157 1.00 32.13 H new ATOM 1374 N THR A 99 13.751 -7.821 5.727 1.00 63.00 N ATOM 1375 CA THR A 99 12.602 -7.681 6.600 1.00 30.32 C ATOM 1376 C THR A 99 11.959 -6.315 6.368 1.00 1.52 C ATOM 1377 O THR A 99 12.602 -5.275 6.521 1.00 73.04 O ATOM 1378 CB THR A 99 13.018 -7.906 8.061 1.00 63.43 C ATOM 1379 OG1 THR A 99 14.311 -7.384 8.323 1.00 44.22 O ATOM 1380 CG2 THR A 99 13.056 -9.404 8.373 1.00 2.14 C ATOM 0 H THR A 99 14.628 -7.883 6.244 1.00 63.00 H new ATOM 0 HA THR A 99 11.854 -8.439 6.370 1.00 30.32 H new ATOM 0 HB THR A 99 12.284 -7.394 8.682 1.00 63.43 H new ATOM 0 HG1 THR A 99 14.544 -7.543 9.262 1.00 44.22 H new ATOM 0 HG21 THR A 99 13.352 -9.552 9.412 1.00 2.14 H new ATOM 0 HG22 THR A 99 12.067 -9.834 8.213 1.00 2.14 H new ATOM 0 HG23 THR A 99 13.776 -9.894 7.717 1.00 2.14 H new ATOM 1388 N ILE A 100 10.696 -6.329 5.962 1.00 33.44 N ATOM 1389 CA ILE A 100 9.842 -5.167 5.777 1.00 4.31 C ATOM 1390 C ILE A 100 9.764 -4.442 7.115 1.00 74.13 C ATOM 1391 O ILE A 100 9.480 -5.056 8.146 1.00 13.42 O ATOM 1392 CB ILE A 100 8.450 -5.611 5.278 1.00 13.45 C ATOM 1393 CG1 ILE A 100 8.530 -6.708 4.199 1.00 22.25 C ATOM 1394 CG2 ILE A 100 7.657 -4.410 4.742 1.00 32.24 C ATOM 1395 CD1 ILE A 100 9.439 -6.361 3.020 1.00 4.14 C ATOM 0 H ILE A 100 10.215 -7.201 5.741 1.00 33.44 H new ATOM 0 HA ILE A 100 10.246 -4.492 5.023 1.00 4.31 H new ATOM 0 HB ILE A 100 7.932 -6.035 6.138 1.00 13.45 H new ATOM 0 HG12 ILE A 100 8.886 -7.630 4.659 1.00 22.25 H new ATOM 0 HG13 ILE A 100 7.526 -6.907 3.823 1.00 22.25 H new ATOM 0 HG21 ILE A 100 6.679 -4.745 4.395 1.00 32.24 H new ATOM 0 HG22 ILE A 100 7.528 -3.675 5.537 1.00 32.24 H new ATOM 0 HG23 ILE A 100 8.200 -3.956 3.913 1.00 32.24 H new ATOM 0 HD11 ILE A 100 9.440 -7.185 2.306 1.00 4.14 H new ATOM 0 HD12 ILE A 100 9.073 -5.458 2.532 1.00 4.14 H new ATOM 0 HD13 ILE A 100 10.454 -6.192 3.380 1.00 4.14 H new ATOM 1406 N ASN A 101 10.047 -3.144 7.100 1.00 63.03 N ATOM 1407 CA ASN A 101 10.046 -2.319 8.297 1.00 33.15 C ATOM 1408 C ASN A 101 8.612 -1.909 8.649 1.00 33.12 C ATOM 1409 O ASN A 101 7.653 -2.533 8.181 1.00 44.10 O ATOM 1410 CB ASN A 101 10.942 -1.101 8.057 1.00 34.31 C ATOM 1411 CG ASN A 101 11.711 -0.804 9.322 1.00 2.54 C ATOM 1412 OD1 ASN A 101 11.173 -0.248 10.274 1.00 30.23 O ATOM 1413 ND2 ASN A 101 12.970 -1.181 9.360 1.00 11.32 N ATOM 0 H ASN A 101 10.285 -2.634 6.250 1.00 63.03 H new ATOM 0 HA ASN A 101 10.441 -2.879 9.145 1.00 33.15 H new ATOM 0 HB2 ASN A 101 11.630 -1.295 7.234 1.00 34.31 H new ATOM 0 HB3 ASN A 101 10.339 -0.239 7.771 1.00 34.31 H new ATOM 0 HD21 ASN A 101 13.528 -1.013 10.198 1.00 11.32 H new ATOM 0 HD22 ASN A 101 13.389 -1.641 8.552 1.00 11.32 H new ATOM 1419 N VAL A 102 8.432 -0.816 9.393 1.00 3.12 N ATOM 1420 CA VAL A 102 7.152 -0.173 9.616 1.00 51.23 C ATOM 1421 C VAL A 102 7.335 1.351 9.766 1.00 44.10 C ATOM 1422 O VAL A 102 8.129 1.798 10.599 1.00 4.32 O ATOM 1423 CB VAL A 102 6.455 -0.919 10.771 1.00 11.15 C ATOM 1424 CG1 VAL A 102 7.329 -1.258 11.983 1.00 3.41 C ATOM 1425 CG2 VAL A 102 5.202 -0.184 11.236 1.00 45.52 C ATOM 0 H VAL A 102 9.202 -0.345 9.868 1.00 3.12 H new ATOM 0 HA VAL A 102 6.476 -0.248 8.764 1.00 51.23 H new ATOM 0 HB VAL A 102 6.196 -1.879 10.324 1.00 11.15 H new ATOM 0 HG11 VAL A 102 6.730 -1.781 12.729 1.00 3.41 H new ATOM 0 HG12 VAL A 102 8.155 -1.896 11.669 1.00 3.41 H new ATOM 0 HG13 VAL A 102 7.725 -0.339 12.415 1.00 3.41 H new ATOM 0 HG21 VAL A 102 4.736 -0.738 12.051 1.00 45.52 H new ATOM 0 HG22 VAL A 102 5.473 0.813 11.583 1.00 45.52 H new ATOM 0 HG23 VAL A 102 4.500 -0.101 10.406 1.00 45.52 H new ATOM 1435 N GLU A 103 6.628 2.151 8.953 1.00 71.00 N ATOM 1436 CA GLU A 103 6.501 3.611 9.052 1.00 73.24 C ATOM 1437 C GLU A 103 5.176 4.075 8.387 1.00 4.15 C ATOM 1438 O GLU A 103 4.492 3.284 7.735 1.00 32.45 O ATOM 1439 CB GLU A 103 7.753 4.270 8.417 1.00 42.53 C ATOM 1440 CG GLU A 103 7.687 5.807 8.345 1.00 2.15 C ATOM 1441 CD GLU A 103 8.996 6.502 7.986 1.00 32.23 C ATOM 1442 OE1 GLU A 103 9.789 6.852 8.886 1.00 63.24 O ATOM 1443 OE2 GLU A 103 9.191 6.794 6.784 1.00 51.50 O ATOM 0 H GLU A 103 6.101 1.774 8.165 1.00 71.00 H new ATOM 0 HA GLU A 103 6.454 3.923 10.095 1.00 73.24 H new ATOM 0 HB2 GLU A 103 8.633 3.981 8.992 1.00 42.53 H new ATOM 0 HB3 GLU A 103 7.887 3.875 7.410 1.00 42.53 H new ATOM 0 HG2 GLU A 103 6.933 6.087 7.609 1.00 2.15 H new ATOM 0 HG3 GLU A 103 7.347 6.185 9.309 1.00 2.15 H new ATOM 1448 N PHE A 104 4.798 5.352 8.545 1.00 50.33 N ATOM 1449 CA PHE A 104 3.668 6.053 7.939 1.00 10.24 C ATOM 1450 C PHE A 104 4.055 7.481 7.504 1.00 52.22 C ATOM 1451 O PHE A 104 5.153 7.953 7.822 1.00 62.30 O ATOM 1452 CB PHE A 104 2.467 6.066 8.889 1.00 43.11 C ATOM 1453 CG PHE A 104 2.549 6.965 10.100 1.00 12.32 C ATOM 1454 CD1 PHE A 104 3.660 6.912 10.956 1.00 64.01 C ATOM 1455 CD2 PHE A 104 1.486 7.835 10.392 1.00 21.33 C ATOM 1456 CE1 PHE A 104 3.769 7.783 12.048 1.00 65.11 C ATOM 1457 CE2 PHE A 104 1.609 8.728 11.471 1.00 43.41 C ATOM 1458 CZ PHE A 104 2.757 8.724 12.281 1.00 13.22 C ATOM 0 H PHE A 104 5.327 5.973 9.157 1.00 50.33 H new ATOM 0 HA PHE A 104 3.381 5.509 7.039 1.00 10.24 H new ATOM 0 HB2 PHE A 104 1.586 6.354 8.315 1.00 43.11 H new ATOM 0 HB3 PHE A 104 2.302 5.046 9.237 1.00 43.11 H new ATOM 0 HD1 PHE A 104 4.441 6.190 10.770 1.00 64.01 H new ATOM 0 HD2 PHE A 104 0.586 7.818 9.796 1.00 21.33 H new ATOM 0 HE1 PHE A 104 4.625 7.730 12.704 1.00 65.11 H new ATOM 0 HE2 PHE A 104 0.811 9.426 11.680 1.00 43.41 H new ATOM 0 HZ PHE A 104 2.859 9.443 13.080 1.00 13.22 H new ATOM 1467 N ALA A 105 3.168 8.161 6.762 1.00 32.24 N ATOM 1468 CA ALA A 105 3.438 9.415 6.046 1.00 33.03 C ATOM 1469 C ALA A 105 2.258 10.422 6.040 1.00 5.21 C ATOM 1470 O ALA A 105 2.176 11.263 5.146 1.00 4.35 O ATOM 1471 CB ALA A 105 3.860 9.036 4.614 1.00 42.23 C ATOM 0 H ALA A 105 2.208 7.840 6.640 1.00 32.24 H new ATOM 0 HA ALA A 105 4.230 9.947 6.573 1.00 33.03 H new ATOM 0 HB1 ALA A 105 4.071 9.942 4.045 1.00 42.23 H new ATOM 0 HB2 ALA A 105 4.754 8.414 4.651 1.00 42.23 H new ATOM 0 HB3 ALA A 105 3.054 8.484 4.131 1.00 42.23 H new ATOM 1477 N LYS A 106 1.316 10.321 6.985 1.00 10.24 N ATOM 1478 CA LYS A 106 0.015 11.018 6.969 1.00 10.41 C ATOM 1479 C LYS A 106 0.091 12.545 7.086 1.00 63.30 C ATOM 1480 O LYS A 106 1.065 13.094 7.615 1.00 13.52 O ATOM 1481 CB LYS A 106 -0.867 10.444 8.088 1.00 50.11 C ATOM 1482 CG LYS A 106 -0.415 10.818 9.509 1.00 73.24 C ATOM 1483 CD LYS A 106 -1.254 11.939 10.133 1.00 34.01 C ATOM 1484 CE LYS A 106 -0.409 12.861 11.020 1.00 43.13 C ATOM 1485 NZ LYS A 106 -1.237 13.843 11.754 1.00 23.01 N ATOM 0 H LYS A 106 1.438 9.734 7.810 1.00 10.24 H new ATOM 0 HA LYS A 106 -0.416 10.837 5.984 1.00 10.41 H new ATOM 0 HB2 LYS A 106 -1.890 10.792 7.942 1.00 50.11 H new ATOM 0 HB3 LYS A 106 -0.884 9.358 7.999 1.00 50.11 H new ATOM 0 HG2 LYS A 106 -0.470 9.935 10.145 1.00 73.24 H new ATOM 0 HG3 LYS A 106 0.630 11.127 9.482 1.00 73.24 H new ATOM 0 HD2 LYS A 106 -1.722 12.525 9.342 1.00 34.01 H new ATOM 0 HD3 LYS A 106 -2.059 11.503 10.725 1.00 34.01 H new ATOM 0 HE2 LYS A 106 0.155 12.260 11.733 1.00 43.13 H new ATOM 0 HE3 LYS A 106 0.318 13.390 10.403 1.00 43.13 H new ATOM 0 HZ1 LYS A 106 -0.624 14.445 12.340 1.00 23.01 H new ATOM 0 HZ2 LYS A 106 -1.756 14.435 11.075 1.00 23.01 H new ATOM 0 HZ3 LYS A 106 -1.913 13.340 12.363 1.00 23.01 H new