USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 737 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 61 THR OG1 : rot 64:sc= 1.37 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -14.1! C(o=-21!,f=-23!) USER MOD Set 1.3: A 108 MET CE :methyl -167:sc= -7.92! (180deg=-7.66!) USER MOD Set 2.1: A 42 MET CE :methyl -167:sc= -3.08! (180deg=-3.32!) USER MOD Set 2.2: A 54 ASN : amide:sc= -0.133 X(o=-3.2,f=-3.3) USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= -0.494 (180deg=-0.524) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -167:sc= -0.616 (180deg=-0.669) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0477 USER MOD Single : A 48 LYS NZ :NH3+ -109:sc= 0.44 (180deg=-0.109) USER MOD Single : A 57 SER OG : rot 35:sc= 0.616 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0664 X(o=-0.066,f=-0.38) USER MOD Single : A 68 ASN : amide:sc= -0.649 K(o=-0.65,f=-3.8!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc=0.000383 USER MOD Single : A 78 GLN : amide:sc= -0.0839 K(o=-0.084,f=-1.1) USER MOD Single : A 80 GLN : amide:sc= -9.89! C(o=-9.9!,f=-8.3!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 94 SER OG : rot 94:sc= 1.23 USER MOD Single : A 99 CYS SG : rot 137:sc= -4.39! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS : no HD1:sc= -4.11 K(o=-4.1,f=-4.9!) USER MOD Single : A 113 GLN : amide:sc= -1.85 X(o=-1.8,f=-2) USER MOD ----------------------------------------------------------------- ATOM 298 N LEU A 24 -0.283 4.458 -12.354 1.00 0.00 N ATOM 299 CA LEU A 24 -0.117 4.728 -10.936 1.00 0.00 C ATOM 300 C LEU A 24 -1.462 4.554 -10.227 1.00 0.00 C ATOM 301 O LEU A 24 -1.987 5.501 -9.644 1.00 0.00 O ATOM 302 CB LEU A 24 0.517 6.104 -10.723 1.00 0.00 C ATOM 303 CG LEU A 24 1.661 6.165 -9.709 1.00 0.00 C ATOM 304 CD1 LEU A 24 1.194 5.705 -8.327 1.00 0.00 C ATOM 305 CD2 LEU A 24 2.872 5.369 -10.199 1.00 0.00 C ATOM 0 HA LEU A 24 0.574 4.012 -10.490 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.889 6.463 -11.683 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.262 6.796 -10.404 1.00 0.00 H new ATOM 0 HG LEU A 24 1.976 7.204 -9.613 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.026 5.758 -7.625 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.387 6.351 -7.982 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.836 4.677 -8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.670 5.429 -9.459 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.588 4.326 -10.343 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.221 5.783 -11.145 1.00 0.00 H new ATOM 317 N VAL A 25 -1.980 3.336 -10.301 1.00 0.00 N ATOM 318 CA VAL A 25 -3.254 3.026 -9.673 1.00 0.00 C ATOM 319 C VAL A 25 -3.015 2.628 -8.216 1.00 0.00 C ATOM 320 O VAL A 25 -2.521 1.535 -7.940 1.00 0.00 O ATOM 321 CB VAL A 25 -3.984 1.948 -10.476 1.00 0.00 C ATOM 322 CG1 VAL A 25 -5.410 1.751 -9.960 1.00 0.00 C ATOM 323 CG2 VAL A 25 -3.982 2.281 -11.970 1.00 0.00 C ATOM 0 H VAL A 25 -1.541 2.553 -10.786 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.902 3.903 -9.668 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.447 1.009 -10.342 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.906 0.979 -10.548 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.380 1.446 -8.914 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.962 2.687 -10.050 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.507 1.499 -12.518 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.483 3.236 -12.131 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.954 2.346 -12.327 1.00 0.00 H new ATOM 333 N VAL A 26 -3.378 3.535 -7.320 1.00 0.00 N ATOM 334 CA VAL A 26 -3.210 3.291 -5.898 1.00 0.00 C ATOM 335 C VAL A 26 -4.516 2.741 -5.321 1.00 0.00 C ATOM 336 O VAL A 26 -5.572 3.355 -5.470 1.00 0.00 O ATOM 337 CB VAL A 26 -2.740 4.569 -5.200 1.00 0.00 C ATOM 338 CG1 VAL A 26 -2.738 4.395 -3.680 1.00 0.00 C ATOM 339 CG2 VAL A 26 -1.359 4.993 -5.705 1.00 0.00 C ATOM 0 H VAL A 26 -3.788 4.440 -7.552 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.438 2.540 -5.728 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.445 5.363 -5.445 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.400 5.318 -3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.747 4.162 -3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.066 3.581 -3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.048 5.904 -5.193 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.639 4.200 -5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.405 5.178 -6.778 1.00 0.00 H new ATOM 349 N PHE A 27 -4.402 1.591 -4.674 1.00 0.00 N ATOM 350 CA PHE A 27 -5.561 0.951 -4.074 1.00 0.00 C ATOM 351 C PHE A 27 -5.362 0.756 -2.570 1.00 0.00 C ATOM 352 O PHE A 27 -4.519 -0.035 -2.150 1.00 0.00 O ATOM 353 CB PHE A 27 -5.711 -0.418 -4.740 1.00 0.00 C ATOM 354 CG PHE A 27 -6.873 -1.251 -4.195 1.00 0.00 C ATOM 355 CD1 PHE A 27 -8.136 -1.036 -4.651 1.00 0.00 C ATOM 356 CD2 PHE A 27 -6.643 -2.207 -3.255 1.00 0.00 C ATOM 357 CE1 PHE A 27 -9.215 -1.809 -4.145 1.00 0.00 C ATOM 358 CE2 PHE A 27 -7.722 -2.980 -2.749 1.00 0.00 C ATOM 359 CZ PHE A 27 -8.985 -2.764 -3.205 1.00 0.00 C ATOM 0 H PHE A 27 -3.525 1.085 -4.552 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.445 1.572 -4.218 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.850 -0.276 -5.812 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.784 -0.977 -4.610 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.319 -0.278 -5.398 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.640 -2.378 -2.893 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -10.218 -1.638 -4.507 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.540 -3.739 -2.003 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.806 -3.351 -2.820 1.00 0.00 H new ATOM 369 N ILE A 28 -6.152 1.489 -1.801 1.00 0.00 N ATOM 370 CA ILE A 28 -6.073 1.407 -0.352 1.00 0.00 C ATOM 371 C ILE A 28 -6.860 0.185 0.128 1.00 0.00 C ATOM 372 O ILE A 28 -7.947 -0.095 -0.375 1.00 0.00 O ATOM 373 CB ILE A 28 -6.528 2.721 0.286 1.00 0.00 C ATOM 374 CG1 ILE A 28 -5.616 3.877 -0.130 1.00 0.00 C ATOM 375 CG2 ILE A 28 -6.628 2.587 1.806 1.00 0.00 C ATOM 376 CD1 ILE A 28 -6.077 5.193 0.499 1.00 0.00 C ATOM 0 H ILE A 28 -6.851 2.143 -2.154 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.040 1.267 -0.034 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.528 2.952 -0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.591 3.664 0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.613 3.970 -1.216 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.953 3.535 2.234 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.350 1.809 2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.652 2.321 2.213 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.412 5.998 0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.093 5.415 0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.055 5.104 1.585 1.00 0.00 H new ATOM 388 N LEU A 29 -6.280 -0.509 1.097 1.00 0.00 N ATOM 389 CA LEU A 29 -6.914 -1.693 1.650 1.00 0.00 C ATOM 390 C LEU A 29 -7.712 -1.305 2.896 1.00 0.00 C ATOM 391 O LEU A 29 -7.136 -1.056 3.954 1.00 0.00 O ATOM 392 CB LEU A 29 -5.875 -2.788 1.903 1.00 0.00 C ATOM 393 CG LEU A 29 -6.423 -4.138 2.370 1.00 0.00 C ATOM 394 CD1 LEU A 29 -7.016 -4.924 1.198 1.00 0.00 C ATOM 395 CD2 LEU A 29 -5.351 -4.938 3.112 1.00 0.00 C ATOM 0 H LEU A 29 -5.379 -0.274 1.513 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.622 -2.114 0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.311 -2.946 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.170 -2.426 2.651 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.232 -3.952 3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.398 -5.879 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.829 -4.352 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.243 -5.101 0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.767 -5.893 3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.505 -5.115 2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.016 -4.376 3.984 1.00 0.00 H new ATOM 407 N GLU A 30 -9.026 -1.263 2.729 1.00 0.00 N ATOM 408 CA GLU A 30 -9.909 -0.909 3.827 1.00 0.00 C ATOM 409 C GLU A 30 -9.453 -1.592 5.118 1.00 0.00 C ATOM 410 O GLU A 30 -9.407 -0.964 6.174 1.00 0.00 O ATOM 411 CB GLU A 30 -11.360 -1.267 3.501 1.00 0.00 C ATOM 412 CG GLU A 30 -12.262 -1.065 4.720 1.00 0.00 C ATOM 413 CD GLU A 30 -12.208 -2.280 5.649 1.00 0.00 C ATOM 414 OE1 GLU A 30 -12.538 -3.382 5.162 1.00 0.00 O ATOM 415 OE2 GLU A 30 -11.837 -2.078 6.826 1.00 0.00 O ATOM 0 H GLU A 30 -9.500 -1.468 1.850 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.859 0.170 3.973 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.714 -0.649 2.676 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.417 -2.304 3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.951 -0.173 5.264 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.288 -0.897 4.394 1.00 0.00 H new ATOM 422 N LYS A 31 -9.126 -2.870 4.989 1.00 0.00 N ATOM 423 CA LYS A 31 -8.674 -3.645 6.132 1.00 0.00 C ATOM 424 C LYS A 31 -7.753 -2.782 6.996 1.00 0.00 C ATOM 425 O LYS A 31 -6.750 -2.261 6.512 1.00 0.00 O ATOM 426 CB LYS A 31 -8.035 -4.956 5.671 1.00 0.00 C ATOM 427 CG LYS A 31 -9.090 -5.917 5.119 1.00 0.00 C ATOM 428 CD LYS A 31 -8.768 -6.316 3.678 1.00 0.00 C ATOM 429 CE LYS A 31 -9.624 -7.504 3.233 1.00 0.00 C ATOM 430 NZ LYS A 31 -9.038 -8.775 3.716 1.00 0.00 N ATOM 0 H LYS A 31 -9.165 -3.388 4.111 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.520 -3.932 6.756 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.288 -4.751 4.904 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.514 -5.424 6.506 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.138 -6.808 5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.072 -5.446 5.159 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.943 -5.469 3.015 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.712 -6.573 3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.638 -7.394 3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.697 -7.520 2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.742 -9.536 3.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.203 -9.012 3.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.756 -8.671 4.712 1.00 0.00 H new ATOM 444 N LYS A 32 -8.126 -2.658 8.262 1.00 0.00 N ATOM 445 CA LYS A 32 -7.345 -1.868 9.198 1.00 0.00 C ATOM 446 C LYS A 32 -7.423 -0.392 8.801 1.00 0.00 C ATOM 447 O LYS A 32 -6.396 0.254 8.597 1.00 0.00 O ATOM 448 CB LYS A 32 -5.916 -2.405 9.292 1.00 0.00 C ATOM 449 CG LYS A 32 -5.804 -3.479 10.376 1.00 0.00 C ATOM 450 CD LYS A 32 -5.064 -4.712 9.852 1.00 0.00 C ATOM 451 CE LYS A 32 -4.355 -5.450 10.988 1.00 0.00 C ATOM 452 NZ LYS A 32 -4.395 -6.912 10.761 1.00 0.00 N ATOM 0 H LYS A 32 -8.959 -3.092 8.661 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.758 -1.951 10.203 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.616 -2.821 8.330 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.230 -1.587 9.513 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.278 -3.075 11.241 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.800 -3.765 10.714 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.770 -5.383 9.362 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.336 -4.411 9.099 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.320 -5.115 11.057 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.832 -5.210 11.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.909 -7.398 11.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.384 -7.230 10.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.920 -7.137 9.864 1.00 0.00 H new ATOM 466 N MET A 33 -8.650 0.098 8.705 1.00 0.00 N ATOM 467 CA MET A 33 -8.875 1.485 8.336 1.00 0.00 C ATOM 468 C MET A 33 -10.371 1.797 8.261 1.00 0.00 C ATOM 469 O MET A 33 -10.898 2.535 9.092 1.00 0.00 O ATOM 470 CB MET A 33 -8.225 1.765 6.979 1.00 0.00 C ATOM 471 CG MET A 33 -7.689 3.196 6.913 1.00 0.00 C ATOM 472 SD MET A 33 -5.922 3.175 6.658 1.00 0.00 S ATOM 473 CE MET A 33 -5.868 2.957 4.887 1.00 0.00 C ATOM 0 H MET A 33 -9.499 -0.441 8.876 1.00 0.00 H new ATOM 0 HA MET A 33 -8.429 2.121 9.100 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.411 1.060 6.809 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.954 1.609 6.184 1.00 0.00 H new ATOM 0 HG2 MET A 33 -8.175 3.738 6.102 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.925 3.725 7.837 1.00 0.00 H new ATOM 0 HE1 MET A 33 -4.855 2.693 4.584 1.00 0.00 H new ATOM 0 HE2 MET A 33 -6.553 2.160 4.597 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.163 3.885 4.397 1.00 0.00 H new ATOM 483 N GLY A 34 -11.013 1.219 7.256 1.00 0.00 N ATOM 484 CA GLY A 34 -12.438 1.426 7.061 1.00 0.00 C ATOM 485 C GLY A 34 -12.718 2.065 5.699 1.00 0.00 C ATOM 486 O GLY A 34 -11.871 2.029 4.807 1.00 0.00 O ATOM 0 H GLY A 34 -10.573 0.608 6.568 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.961 0.472 7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.828 2.065 7.853 1.00 0.00 H new ATOM 490 N THR A 35 -13.908 2.634 5.582 1.00 0.00 N ATOM 491 CA THR A 35 -14.310 3.280 4.344 1.00 0.00 C ATOM 492 C THR A 35 -13.895 4.753 4.352 1.00 0.00 C ATOM 493 O THR A 35 -13.118 5.187 3.503 1.00 0.00 O ATOM 494 CB THR A 35 -15.816 3.074 4.171 1.00 0.00 C ATOM 495 OG1 THR A 35 -15.945 1.685 3.880 1.00 0.00 O ATOM 496 CG2 THR A 35 -16.362 3.769 2.921 1.00 0.00 C ATOM 0 H THR A 35 -14.607 2.661 6.324 1.00 0.00 H new ATOM 0 HA THR A 35 -13.806 2.837 3.485 1.00 0.00 H new ATOM 0 HB THR A 35 -16.337 3.449 5.052 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.891 1.464 3.755 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.435 3.591 2.845 1.00 0.00 H new ATOM 0 HG22 THR A 35 -16.176 4.841 2.990 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.865 3.370 2.037 1.00 0.00 H new ATOM 504 N THR A 36 -14.432 5.481 5.320 1.00 0.00 N ATOM 505 CA THR A 36 -14.128 6.896 5.449 1.00 0.00 C ATOM 506 C THR A 36 -12.636 7.143 5.216 1.00 0.00 C ATOM 507 O THR A 36 -12.250 7.722 4.202 1.00 0.00 O ATOM 508 CB THR A 36 -14.613 7.360 6.823 1.00 0.00 C ATOM 509 OG1 THR A 36 -15.955 6.886 6.896 1.00 0.00 O ATOM 510 CG2 THR A 36 -14.751 8.882 6.913 1.00 0.00 C ATOM 0 H THR A 36 -15.076 5.117 6.023 1.00 0.00 H new ATOM 0 HA THR A 36 -14.646 7.483 4.690 1.00 0.00 H new ATOM 0 HB THR A 36 -13.919 7.012 7.588 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.346 7.142 7.757 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.098 9.158 7.909 1.00 0.00 H new ATOM 0 HG22 THR A 36 -13.783 9.347 6.725 1.00 0.00 H new ATOM 0 HG23 THR A 36 -15.470 9.227 6.170 1.00 0.00 H new ATOM 518 N ARG A 37 -11.838 6.693 6.173 1.00 0.00 N ATOM 519 CA ARG A 37 -10.397 6.858 6.085 1.00 0.00 C ATOM 520 C ARG A 37 -9.892 6.397 4.716 1.00 0.00 C ATOM 521 O ARG A 37 -9.342 7.190 3.954 1.00 0.00 O ATOM 522 CB ARG A 37 -9.683 6.061 7.178 1.00 0.00 C ATOM 523 CG ARG A 37 -9.174 6.985 8.286 1.00 0.00 C ATOM 524 CD ARG A 37 -7.676 6.781 8.526 1.00 0.00 C ATOM 525 NE ARG A 37 -7.189 7.746 9.536 1.00 0.00 N ATOM 526 CZ ARG A 37 -7.036 9.058 9.309 1.00 0.00 C ATOM 527 NH1 ARG A 37 -7.330 9.569 8.106 1.00 0.00 N ATOM 528 NH2 ARG A 37 -6.587 9.859 10.285 1.00 0.00 N ATOM 0 H ARG A 37 -12.162 6.214 7.013 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.176 7.917 6.220 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.365 5.323 7.600 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.847 5.511 6.745 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.364 8.023 8.014 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.723 6.791 9.207 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.489 5.762 8.865 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.129 6.912 7.592 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.955 7.391 10.463 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.670 8.959 7.362 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.213 10.568 7.934 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.362 9.470 11.201 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.471 10.857 10.112 1.00 0.00 H new ATOM 542 N ARG A 38 -10.098 5.116 4.445 1.00 0.00 N ATOM 543 CA ARG A 38 -9.671 4.540 3.182 1.00 0.00 C ATOM 544 C ARG A 38 -9.994 5.492 2.028 1.00 0.00 C ATOM 545 O ARG A 38 -9.093 5.965 1.337 1.00 0.00 O ATOM 546 CB ARG A 38 -10.354 3.195 2.931 1.00 0.00 C ATOM 547 CG ARG A 38 -10.060 2.686 1.518 1.00 0.00 C ATOM 548 CD ARG A 38 -10.718 1.325 1.278 1.00 0.00 C ATOM 549 NE ARG A 38 -11.143 1.211 -0.135 1.00 0.00 N ATOM 550 CZ ARG A 38 -12.285 1.716 -0.620 1.00 0.00 C ATOM 551 NH1 ARG A 38 -13.124 2.374 0.192 1.00 0.00 N ATOM 552 NH2 ARG A 38 -12.588 1.564 -1.916 1.00 0.00 N ATOM 0 H ARG A 38 -10.555 4.461 5.079 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.594 4.383 3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.009 2.465 3.663 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.430 3.299 3.067 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.426 3.405 0.785 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.983 2.604 1.374 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.018 0.525 1.522 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.579 1.207 1.936 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.527 0.717 -0.781 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.893 2.490 1.179 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.994 2.759 -0.177 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.949 1.064 -2.534 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.458 1.949 -2.285 1.00 0.00 H new ATOM 566 N ALA A 39 -11.283 5.745 1.856 1.00 0.00 N ATOM 567 CA ALA A 39 -11.737 6.631 0.798 1.00 0.00 C ATOM 568 C ALA A 39 -11.029 7.981 0.931 1.00 0.00 C ATOM 569 O ALA A 39 -10.549 8.534 -0.057 1.00 0.00 O ATOM 570 CB ALA A 39 -13.260 6.763 0.860 1.00 0.00 C ATOM 0 H ALA A 39 -12.027 5.352 2.432 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.485 6.221 -0.180 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.600 7.428 0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.716 5.781 0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.551 7.174 1.827 1.00 0.00 H new ATOM 576 N LEU A 40 -10.987 8.473 2.160 1.00 0.00 N ATOM 577 CA LEU A 40 -10.346 9.747 2.435 1.00 0.00 C ATOM 578 C LEU A 40 -8.953 9.760 1.802 1.00 0.00 C ATOM 579 O LEU A 40 -8.725 10.449 0.809 1.00 0.00 O ATOM 580 CB LEU A 40 -10.340 10.031 3.939 1.00 0.00 C ATOM 581 CG LEU A 40 -9.906 11.438 4.354 1.00 0.00 C ATOM 582 CD1 LEU A 40 -10.064 12.425 3.196 1.00 0.00 C ATOM 583 CD2 LEU A 40 -10.657 11.897 5.606 1.00 0.00 C ATOM 0 H LEU A 40 -11.387 8.012 2.977 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.910 10.562 1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.343 9.853 4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.679 9.311 4.422 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.846 11.407 4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.749 13.417 3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.448 12.103 2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.109 12.459 2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.330 12.900 5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.728 11.907 5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.449 11.211 6.427 1.00 0.00 H new ATOM 595 N LEU A 41 -8.058 8.989 2.402 1.00 0.00 N ATOM 596 CA LEU A 41 -6.694 8.902 1.909 1.00 0.00 C ATOM 597 C LEU A 41 -6.715 8.778 0.385 1.00 0.00 C ATOM 598 O LEU A 41 -5.993 9.492 -0.310 1.00 0.00 O ATOM 599 CB LEU A 41 -5.942 7.768 2.609 1.00 0.00 C ATOM 600 CG LEU A 41 -5.480 8.052 4.040 1.00 0.00 C ATOM 601 CD1 LEU A 41 -4.324 9.054 4.054 1.00 0.00 C ATOM 602 CD2 LEU A 41 -6.650 8.515 4.912 1.00 0.00 C ATOM 0 H LEU A 41 -8.251 8.419 3.225 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.144 9.812 2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.585 6.888 2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.068 7.514 2.010 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.106 7.122 4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.015 9.238 5.083 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.484 8.649 3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.648 9.990 3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.295 8.710 5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.076 9.427 4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.414 7.738 4.939 1.00 0.00 H new ATOM 614 N MET A 42 -7.549 7.865 -0.092 1.00 0.00 N ATOM 615 CA MET A 42 -7.672 7.638 -1.521 1.00 0.00 C ATOM 616 C MET A 42 -8.038 8.931 -2.253 1.00 0.00 C ATOM 617 O MET A 42 -7.492 9.223 -3.316 1.00 0.00 O ATOM 618 CB MET A 42 -8.750 6.583 -1.779 1.00 0.00 C ATOM 619 CG MET A 42 -8.188 5.171 -1.603 1.00 0.00 C ATOM 620 SD MET A 42 -9.120 4.015 -2.595 1.00 0.00 S ATOM 621 CE MET A 42 -10.773 4.628 -2.315 1.00 0.00 C ATOM 0 H MET A 42 -8.146 7.274 0.487 1.00 0.00 H new ATOM 0 HA MET A 42 -6.711 7.289 -1.898 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.584 6.735 -1.093 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.143 6.699 -2.789 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.138 5.150 -1.895 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.233 4.881 -0.553 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.498 3.894 -2.668 1.00 0.00 H new ATOM 0 HE2 MET A 42 -10.921 4.801 -1.249 1.00 0.00 H new ATOM 0 HE3 MET A 42 -10.911 5.563 -2.857 1.00 0.00 H new ATOM 631 N GLU A 43 -8.960 9.671 -1.654 1.00 0.00 N ATOM 632 CA GLU A 43 -9.405 10.927 -2.235 1.00 0.00 C ATOM 633 C GLU A 43 -8.295 11.976 -2.146 1.00 0.00 C ATOM 634 O GLU A 43 -8.130 12.789 -3.054 1.00 0.00 O ATOM 635 CB GLU A 43 -10.683 11.422 -1.557 1.00 0.00 C ATOM 636 CG GLU A 43 -10.758 12.950 -1.576 1.00 0.00 C ATOM 637 CD GLU A 43 -12.091 13.441 -1.008 1.00 0.00 C ATOM 638 OE1 GLU A 43 -13.126 13.121 -1.632 1.00 0.00 O ATOM 639 OE2 GLU A 43 -12.045 14.126 0.037 1.00 0.00 O ATOM 0 H GLU A 43 -9.411 9.425 -0.773 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.634 10.757 -3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.553 11.005 -2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.714 11.066 -0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.936 13.365 -0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.639 13.311 -2.598 1.00 0.00 H new ATOM 646 N LEU A 44 -7.563 11.924 -1.043 1.00 0.00 N ATOM 647 CA LEU A 44 -6.473 12.860 -0.823 1.00 0.00 C ATOM 648 C LEU A 44 -5.433 12.695 -1.933 1.00 0.00 C ATOM 649 O LEU A 44 -4.941 13.681 -2.479 1.00 0.00 O ATOM 650 CB LEU A 44 -5.900 12.694 0.586 1.00 0.00 C ATOM 651 CG LEU A 44 -6.861 12.992 1.740 1.00 0.00 C ATOM 652 CD1 LEU A 44 -6.126 13.653 2.908 1.00 0.00 C ATOM 653 CD2 LEU A 44 -8.049 13.829 1.262 1.00 0.00 C ATOM 0 H LEU A 44 -7.703 11.248 -0.292 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.836 13.886 -0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.542 11.670 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.033 13.347 0.684 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.261 12.046 2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.831 13.854 3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.343 12.987 3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.680 14.590 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.716 14.026 2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.688 14.774 0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.590 13.284 0.489 1.00 0.00 H new ATOM 665 N ALA A 45 -5.129 11.441 -2.233 1.00 0.00 N ATOM 666 CA ALA A 45 -4.157 11.134 -3.268 1.00 0.00 C ATOM 667 C ALA A 45 -4.689 11.613 -4.620 1.00 0.00 C ATOM 668 O ALA A 45 -3.938 12.154 -5.431 1.00 0.00 O ATOM 669 CB ALA A 45 -3.856 9.634 -3.258 1.00 0.00 C ATOM 0 H ALA A 45 -5.539 10.626 -1.777 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.219 11.656 -3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.127 9.404 -4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.453 9.350 -2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.774 9.077 -3.446 1.00 0.00 H new ATOM 675 N ARG A 46 -5.980 11.396 -4.822 1.00 0.00 N ATOM 676 CA ARG A 46 -6.622 11.798 -6.063 1.00 0.00 C ATOM 677 C ARG A 46 -6.314 13.265 -6.368 1.00 0.00 C ATOM 678 O ARG A 46 -6.017 13.617 -7.508 1.00 0.00 O ATOM 679 CB ARG A 46 -8.138 11.608 -5.985 1.00 0.00 C ATOM 680 CG ARG A 46 -8.538 10.202 -6.439 1.00 0.00 C ATOM 681 CD ARG A 46 -9.971 9.876 -6.015 1.00 0.00 C ATOM 682 NE ARG A 46 -10.806 9.617 -7.209 1.00 0.00 N ATOM 683 CZ ARG A 46 -12.127 9.398 -7.169 1.00 0.00 C ATOM 684 NH1 ARG A 46 -12.772 9.405 -5.994 1.00 0.00 N ATOM 685 NH2 ARG A 46 -12.804 9.171 -8.303 1.00 0.00 N ATOM 0 H ARG A 46 -6.599 10.947 -4.147 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.229 11.167 -6.860 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.477 11.774 -4.962 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.634 12.351 -6.610 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.450 10.127 -7.523 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.853 9.469 -6.012 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.976 9.004 -5.361 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.387 10.705 -5.443 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.347 9.604 -8.120 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.257 9.577 -5.131 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.778 9.238 -5.963 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.313 9.165 -9.197 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.810 9.004 -8.272 1.00 0.00 H new ATOM 699 N ARG A 47 -6.395 14.083 -5.328 1.00 0.00 N ATOM 700 CA ARG A 47 -6.129 15.504 -5.470 1.00 0.00 C ATOM 701 C ARG A 47 -4.796 15.725 -6.189 1.00 0.00 C ATOM 702 O ARG A 47 -4.647 16.682 -6.947 1.00 0.00 O ATOM 703 CB ARG A 47 -6.086 16.196 -4.106 1.00 0.00 C ATOM 704 CG ARG A 47 -7.496 16.404 -3.552 1.00 0.00 C ATOM 705 CD ARG A 47 -7.471 16.550 -2.030 1.00 0.00 C ATOM 706 NE ARG A 47 -6.944 17.882 -1.657 1.00 0.00 N ATOM 707 CZ ARG A 47 -6.897 18.347 -0.401 1.00 0.00 C ATOM 708 NH1 ARG A 47 -7.345 17.591 0.610 1.00 0.00 N ATOM 709 NH2 ARG A 47 -6.402 19.568 -0.157 1.00 0.00 N ATOM 0 H ARG A 47 -6.641 13.788 -4.383 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.939 15.936 -6.058 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.502 15.596 -3.408 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.582 17.158 -4.198 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.939 17.294 -3.999 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.128 15.560 -3.830 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.476 16.422 -1.628 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.850 15.769 -1.592 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.595 18.484 -2.403 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.722 16.662 0.424 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.309 17.945 1.566 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.061 20.143 -0.927 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.366 19.922 0.799 1.00 0.00 H new ATOM 723 N LYS A 48 -3.862 14.823 -5.925 1.00 0.00 N ATOM 724 CA LYS A 48 -2.547 14.908 -6.537 1.00 0.00 C ATOM 725 C LYS A 48 -2.661 14.580 -8.028 1.00 0.00 C ATOM 726 O LYS A 48 -1.846 15.034 -8.831 1.00 0.00 O ATOM 727 CB LYS A 48 -1.549 14.023 -5.788 1.00 0.00 C ATOM 728 CG LYS A 48 -1.364 14.504 -4.347 1.00 0.00 C ATOM 729 CD LYS A 48 -0.574 15.814 -4.303 1.00 0.00 C ATOM 730 CE LYS A 48 -0.173 16.164 -2.869 1.00 0.00 C ATOM 731 NZ LYS A 48 0.922 17.160 -2.866 1.00 0.00 N ATOM 0 H LYS A 48 -3.990 14.030 -5.296 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.157 15.923 -6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.901 12.991 -5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.589 14.033 -6.305 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.338 14.647 -3.880 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.842 13.741 -3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.318 15.726 -4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.176 16.620 -4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.034 16.560 -2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.145 15.263 -2.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.804 16.706 -2.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.049 17.539 -3.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.683 17.936 -2.216 1.00 0.00 H new ATOM 745 N GLY A 49 -3.677 13.795 -8.352 1.00 0.00 N ATOM 746 CA GLY A 49 -3.908 13.401 -9.732 1.00 0.00 C ATOM 747 C GLY A 49 -3.806 11.883 -9.893 1.00 0.00 C ATOM 748 O GLY A 49 -4.082 11.350 -10.967 1.00 0.00 O ATOM 0 H GLY A 49 -4.350 13.421 -7.683 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.894 13.739 -10.050 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.180 13.889 -10.380 1.00 0.00 H new ATOM 752 N PHE A 50 -3.410 11.230 -8.810 1.00 0.00 N ATOM 753 CA PHE A 50 -3.269 9.784 -8.818 1.00 0.00 C ATOM 754 C PHE A 50 -4.584 9.107 -9.211 1.00 0.00 C ATOM 755 O PHE A 50 -5.661 9.656 -8.985 1.00 0.00 O ATOM 756 CB PHE A 50 -2.898 9.363 -7.395 1.00 0.00 C ATOM 757 CG PHE A 50 -1.410 9.511 -7.071 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.478 8.932 -7.875 1.00 0.00 C ATOM 759 CD2 PHE A 50 -1.019 10.220 -5.978 1.00 0.00 C ATOM 760 CE1 PHE A 50 0.903 9.068 -7.574 1.00 0.00 C ATOM 761 CE2 PHE A 50 0.362 10.357 -5.678 1.00 0.00 C ATOM 762 CZ PHE A 50 1.294 9.778 -6.482 1.00 0.00 C ATOM 0 H PHE A 50 -3.182 11.676 -7.921 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.509 9.488 -9.541 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.474 9.960 -6.688 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.190 8.323 -7.247 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.788 8.369 -8.743 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.759 10.679 -5.339 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.643 8.608 -8.212 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.673 10.921 -4.811 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.344 9.882 -6.253 1.00 0.00 H new ATOM 772 N ARG A 51 -4.452 7.924 -9.792 1.00 0.00 N ATOM 773 CA ARG A 51 -5.616 7.165 -10.218 1.00 0.00 C ATOM 774 C ARG A 51 -6.012 6.151 -9.143 1.00 0.00 C ATOM 775 O ARG A 51 -5.730 4.961 -9.274 1.00 0.00 O ATOM 776 CB ARG A 51 -5.342 6.427 -11.530 1.00 0.00 C ATOM 777 CG ARG A 51 -6.561 5.611 -11.965 1.00 0.00 C ATOM 778 CD ARG A 51 -6.257 4.801 -13.227 1.00 0.00 C ATOM 779 NE ARG A 51 -7.154 5.222 -14.326 1.00 0.00 N ATOM 780 CZ ARG A 51 -8.490 5.127 -14.284 1.00 0.00 C ATOM 781 NH1 ARG A 51 -9.092 4.625 -13.197 1.00 0.00 N ATOM 782 NH2 ARG A 51 -9.224 5.533 -15.329 1.00 0.00 N ATOM 0 H ARG A 51 -3.557 7.472 -9.978 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.432 7.870 -10.375 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.084 7.145 -12.308 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.483 5.767 -11.408 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.859 4.939 -11.160 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.402 6.279 -12.151 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.217 4.945 -13.520 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.388 3.738 -13.027 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.729 5.609 -15.169 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.533 4.315 -12.402 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.109 4.553 -13.165 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.766 5.914 -16.157 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.241 5.461 -15.297 1.00 0.00 H new ATOM 796 N VAL A 52 -6.658 6.660 -8.105 1.00 0.00 N ATOM 797 CA VAL A 52 -7.096 5.813 -7.008 1.00 0.00 C ATOM 798 C VAL A 52 -8.389 5.100 -7.404 1.00 0.00 C ATOM 799 O VAL A 52 -9.218 5.661 -8.120 1.00 0.00 O ATOM 800 CB VAL A 52 -7.239 6.644 -5.731 1.00 0.00 C ATOM 801 CG1 VAL A 52 -7.668 5.768 -4.552 1.00 0.00 C ATOM 802 CG2 VAL A 52 -5.941 7.391 -5.414 1.00 0.00 C ATOM 0 H VAL A 52 -6.889 7.648 -8.000 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.352 5.044 -6.799 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.020 7.385 -5.900 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.762 6.383 -3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.628 5.302 -4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.920 4.994 -4.383 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.070 7.974 -4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.133 6.673 -5.275 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.695 8.059 -6.239 1.00 0.00 H new ATOM 812 N GLU A 53 -8.523 3.873 -6.922 1.00 0.00 N ATOM 813 CA GLU A 53 -9.702 3.077 -7.217 1.00 0.00 C ATOM 814 C GLU A 53 -10.373 2.620 -5.920 1.00 0.00 C ATOM 815 O GLU A 53 -9.706 2.439 -4.903 1.00 0.00 O ATOM 816 CB GLU A 53 -9.347 1.879 -8.102 1.00 0.00 C ATOM 817 CG GLU A 53 -8.583 2.327 -9.349 1.00 0.00 C ATOM 818 CD GLU A 53 -9.485 3.134 -10.286 1.00 0.00 C ATOM 819 OE1 GLU A 53 -10.131 2.493 -11.142 1.00 0.00 O ATOM 820 OE2 GLU A 53 -9.507 4.373 -10.124 1.00 0.00 O ATOM 0 H GLU A 53 -7.834 3.411 -6.329 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.407 3.699 -7.768 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.743 1.170 -7.536 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.258 1.357 -8.397 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.724 2.931 -9.056 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.195 1.455 -9.875 1.00 0.00 H new ATOM 827 N ASN A 54 -11.684 2.447 -5.999 1.00 0.00 N ATOM 828 CA ASN A 54 -12.453 2.016 -4.844 1.00 0.00 C ATOM 829 C ASN A 54 -12.500 0.487 -4.811 1.00 0.00 C ATOM 830 O ASN A 54 -12.724 -0.108 -3.758 1.00 0.00 O ATOM 831 CB ASN A 54 -13.891 2.532 -4.915 1.00 0.00 C ATOM 832 CG ASN A 54 -13.944 4.043 -4.683 1.00 0.00 C ATOM 833 OD1 ASN A 54 -13.906 4.840 -5.606 1.00 0.00 O ATOM 834 ND2 ASN A 54 -14.032 4.391 -3.403 1.00 0.00 N ATOM 0 H ASN A 54 -12.233 2.598 -6.845 1.00 0.00 H new ATOM 0 HA ASN A 54 -11.972 2.414 -3.951 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.318 2.295 -5.889 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.501 2.024 -4.168 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.072 5.377 -3.144 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.060 3.672 -2.680 1.00 0.00 H new ATOM 841 N GLU A 55 -12.285 -0.106 -5.976 1.00 0.00 N ATOM 842 CA GLU A 55 -12.301 -1.554 -6.094 1.00 0.00 C ATOM 843 C GLU A 55 -11.039 -2.042 -6.809 1.00 0.00 C ATOM 844 O GLU A 55 -10.540 -1.378 -7.717 1.00 0.00 O ATOM 845 CB GLU A 55 -13.561 -2.032 -6.818 1.00 0.00 C ATOM 846 CG GLU A 55 -14.821 -1.617 -6.056 1.00 0.00 C ATOM 847 CD GLU A 55 -16.047 -1.640 -6.971 1.00 0.00 C ATOM 848 OE1 GLU A 55 -16.483 -2.762 -7.309 1.00 0.00 O ATOM 849 OE2 GLU A 55 -16.521 -0.535 -7.312 1.00 0.00 O ATOM 0 H GLU A 55 -12.099 0.391 -6.847 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.315 -1.980 -5.091 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.587 -1.615 -7.825 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.535 -3.117 -6.923 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.979 -2.290 -5.213 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -14.689 -0.616 -5.644 1.00 0.00 H new ATOM 856 N LEU A 56 -10.560 -3.198 -6.373 1.00 0.00 N ATOM 857 CA LEU A 56 -9.366 -3.782 -6.961 1.00 0.00 C ATOM 858 C LEU A 56 -9.621 -4.073 -8.441 1.00 0.00 C ATOM 859 O LEU A 56 -10.764 -4.277 -8.849 1.00 0.00 O ATOM 860 CB LEU A 56 -8.921 -5.008 -6.161 1.00 0.00 C ATOM 861 CG LEU A 56 -7.828 -5.866 -6.801 1.00 0.00 C ATOM 862 CD1 LEU A 56 -6.463 -5.182 -6.701 1.00 0.00 C ATOM 863 CD2 LEU A 56 -7.810 -7.272 -6.197 1.00 0.00 C ATOM 0 H LEU A 56 -10.977 -3.746 -5.620 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.534 -3.079 -6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.567 -4.672 -5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.793 -5.638 -5.984 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.057 -5.974 -7.861 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.705 -5.814 -7.164 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.499 -4.222 -7.216 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.212 -5.023 -5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.024 -7.861 -6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.619 -7.205 -5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.774 -7.752 -6.365 1.00 0.00 H new ATOM 875 N SER A 57 -8.539 -4.083 -9.204 1.00 0.00 N ATOM 876 CA SER A 57 -8.631 -4.346 -10.630 1.00 0.00 C ATOM 877 C SER A 57 -7.267 -4.777 -11.172 1.00 0.00 C ATOM 878 O SER A 57 -6.301 -4.886 -10.418 1.00 0.00 O ATOM 879 CB SER A 57 -9.137 -3.116 -11.386 1.00 0.00 C ATOM 880 OG SER A 57 -10.560 -3.079 -11.452 1.00 0.00 O ATOM 0 H SER A 57 -7.593 -3.913 -8.862 1.00 0.00 H new ATOM 0 HA SER A 57 -9.347 -5.153 -10.783 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.773 -2.213 -10.895 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.727 -3.117 -12.396 1.00 0.00 H new ATOM 0 HG SER A 57 -10.935 -3.443 -10.623 1.00 0.00 H new ATOM 886 N ASP A 58 -7.230 -5.011 -12.476 1.00 0.00 N ATOM 887 CA ASP A 58 -6.000 -5.427 -13.128 1.00 0.00 C ATOM 888 C ASP A 58 -5.156 -4.193 -13.451 1.00 0.00 C ATOM 889 O ASP A 58 -4.108 -4.302 -14.086 1.00 0.00 O ATOM 890 CB ASP A 58 -6.292 -6.158 -14.440 1.00 0.00 C ATOM 891 CG ASP A 58 -6.935 -5.297 -15.530 1.00 0.00 C ATOM 892 OD1 ASP A 58 -8.181 -5.202 -15.516 1.00 0.00 O ATOM 893 OD2 ASP A 58 -6.165 -4.755 -16.352 1.00 0.00 O ATOM 0 H ASP A 58 -8.033 -4.920 -13.099 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.470 -6.098 -12.452 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.359 -6.568 -14.825 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.949 -7.002 -14.230 1.00 0.00 H new ATOM 898 N SER A 59 -5.644 -3.047 -13.000 1.00 0.00 N ATOM 899 CA SER A 59 -4.948 -1.793 -13.234 1.00 0.00 C ATOM 900 C SER A 59 -4.207 -1.362 -11.967 1.00 0.00 C ATOM 901 O SER A 59 -3.329 -0.502 -12.019 1.00 0.00 O ATOM 902 CB SER A 59 -5.919 -0.698 -13.679 1.00 0.00 C ATOM 903 OG SER A 59 -6.520 -0.996 -14.936 1.00 0.00 O ATOM 0 H SER A 59 -6.513 -2.960 -12.474 1.00 0.00 H new ATOM 0 HA SER A 59 -4.226 -1.948 -14.036 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.697 -0.575 -12.925 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.388 0.252 -13.747 1.00 0.00 H new ATOM 0 HG SER A 59 -7.134 -0.274 -15.184 1.00 0.00 H new ATOM 909 N VAL A 60 -4.587 -1.980 -10.858 1.00 0.00 N ATOM 910 CA VAL A 60 -3.969 -1.671 -9.580 1.00 0.00 C ATOM 911 C VAL A 60 -2.477 -1.999 -9.647 1.00 0.00 C ATOM 912 O VAL A 60 -2.097 -3.166 -9.718 1.00 0.00 O ATOM 913 CB VAL A 60 -4.695 -2.413 -8.455 1.00 0.00 C ATOM 914 CG1 VAL A 60 -3.920 -2.306 -7.140 1.00 0.00 C ATOM 915 CG2 VAL A 60 -6.126 -1.897 -8.292 1.00 0.00 C ATOM 0 H VAL A 60 -5.315 -2.693 -10.818 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.058 -0.607 -9.360 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.749 -3.467 -8.728 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.457 -2.841 -6.357 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.929 -2.743 -7.265 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.821 -1.257 -6.860 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.619 -2.441 -7.486 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.104 -0.834 -8.052 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.675 -2.048 -9.221 1.00 0.00 H new ATOM 925 N THR A 61 -1.671 -0.947 -9.622 1.00 0.00 N ATOM 926 CA THR A 61 -0.228 -1.109 -9.679 1.00 0.00 C ATOM 927 C THR A 61 0.391 -0.870 -8.300 1.00 0.00 C ATOM 928 O THR A 61 1.531 -1.259 -8.052 1.00 0.00 O ATOM 929 CB THR A 61 0.311 -0.167 -10.758 1.00 0.00 C ATOM 930 OG1 THR A 61 -0.118 1.125 -10.337 1.00 0.00 O ATOM 931 CG2 THR A 61 -0.380 -0.368 -12.108 1.00 0.00 C ATOM 0 H THR A 61 -1.990 0.020 -9.563 1.00 0.00 H new ATOM 0 HA THR A 61 0.045 -2.129 -9.951 1.00 0.00 H new ATOM 0 HB THR A 61 1.384 -0.322 -10.873 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.310 1.350 -9.485 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.039 0.324 -12.838 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.224 -1.392 -12.448 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.448 -0.180 -12.001 1.00 0.00 H new ATOM 939 N HIS A 62 -0.389 -0.232 -7.439 1.00 0.00 N ATOM 940 CA HIS A 62 0.068 0.063 -6.092 1.00 0.00 C ATOM 941 C HIS A 62 -1.071 -0.178 -5.100 1.00 0.00 C ATOM 942 O HIS A 62 -2.137 0.425 -5.214 1.00 0.00 O ATOM 943 CB HIS A 62 0.636 1.481 -6.009 1.00 0.00 C ATOM 944 CG HIS A 62 1.666 1.792 -7.069 1.00 0.00 C ATOM 945 ND1 HIS A 62 1.334 2.323 -8.304 1.00 0.00 N ATOM 946 CD2 HIS A 62 3.022 1.644 -7.065 1.00 0.00 C ATOM 947 CE1 HIS A 62 2.448 2.481 -9.003 1.00 0.00 C ATOM 948 NE2 HIS A 62 3.493 2.059 -8.234 1.00 0.00 N ATOM 0 H HIS A 62 -1.334 0.089 -7.649 1.00 0.00 H new ATOM 0 HA HIS A 62 0.884 -0.609 -5.826 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -0.183 2.195 -6.092 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.086 1.625 -5.026 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.612 1.255 -6.249 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.517 2.875 -10.006 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.474 2.062 -8.512 1.00 0.00 H new ATOM 956 N ILE A 63 -0.807 -1.062 -4.148 1.00 0.00 N ATOM 957 CA ILE A 63 -1.797 -1.390 -3.136 1.00 0.00 C ATOM 958 C ILE A 63 -1.351 -0.819 -1.789 1.00 0.00 C ATOM 959 O ILE A 63 -0.274 -1.150 -1.296 1.00 0.00 O ATOM 960 CB ILE A 63 -2.057 -2.898 -3.110 1.00 0.00 C ATOM 961 CG1 ILE A 63 -2.937 -3.323 -4.287 1.00 0.00 C ATOM 962 CG2 ILE A 63 -2.649 -3.329 -1.767 1.00 0.00 C ATOM 963 CD1 ILE A 63 -2.992 -4.848 -4.407 1.00 0.00 C ATOM 0 H ILE A 63 0.078 -1.561 -4.056 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.755 -0.929 -3.376 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.102 -3.411 -3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.944 -2.928 -4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.547 -2.896 -5.211 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.824 -4.405 -1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.953 -3.081 -0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.593 -2.809 -1.602 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.624 -5.124 -5.251 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.986 -5.237 -4.564 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.405 -5.270 -3.491 1.00 0.00 H new ATOM 975 N VAL A 64 -2.203 0.029 -1.231 1.00 0.00 N ATOM 976 CA VAL A 64 -1.910 0.649 0.050 1.00 0.00 C ATOM 977 C VAL A 64 -2.640 -0.112 1.159 1.00 0.00 C ATOM 978 O VAL A 64 -3.786 -0.523 0.985 1.00 0.00 O ATOM 979 CB VAL A 64 -2.272 2.135 0.007 1.00 0.00 C ATOM 980 CG1 VAL A 64 -2.165 2.765 1.397 1.00 0.00 C ATOM 981 CG2 VAL A 64 -1.400 2.883 -1.003 1.00 0.00 C ATOM 0 H VAL A 64 -3.096 0.301 -1.642 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.843 0.594 0.266 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.308 2.218 -0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.427 3.821 1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.847 2.259 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.144 2.665 1.764 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.678 3.937 -1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.352 2.787 -0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.548 2.459 -1.996 1.00 0.00 H new ATOM 991 N ALA A 65 -1.945 -0.278 2.275 1.00 0.00 N ATOM 992 CA ALA A 65 -2.513 -0.982 3.412 1.00 0.00 C ATOM 993 C ALA A 65 -1.996 -0.352 4.707 1.00 0.00 C ATOM 994 O ALA A 65 -0.843 0.073 4.778 1.00 0.00 O ATOM 995 CB ALA A 65 -2.173 -2.470 3.312 1.00 0.00 C ATOM 0 H ALA A 65 -0.994 0.063 2.416 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.599 -0.895 3.414 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.599 -2.999 4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.587 -2.877 2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.090 -2.597 3.311 1.00 0.00 H new ATOM 1001 N GLU A 66 -2.873 -0.311 5.699 1.00 0.00 N ATOM 1002 CA GLU A 66 -2.519 0.260 6.988 1.00 0.00 C ATOM 1003 C GLU A 66 -2.443 -0.837 8.052 1.00 0.00 C ATOM 1004 O GLU A 66 -3.405 -1.576 8.256 1.00 0.00 O ATOM 1005 CB GLU A 66 -3.512 1.351 7.395 1.00 0.00 C ATOM 1006 CG GLU A 66 -3.114 1.984 8.729 1.00 0.00 C ATOM 1007 CD GLU A 66 -4.341 2.520 9.470 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -5.013 1.695 10.127 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -4.581 3.742 9.361 1.00 0.00 O ATOM 0 H GLU A 66 -3.828 -0.664 5.637 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.536 0.723 6.901 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.552 2.118 6.622 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.513 0.926 7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.605 1.246 9.348 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.407 2.795 8.554 1.00 0.00 H new ATOM 1016 N ASN A 67 -1.291 -0.907 8.701 1.00 0.00 N ATOM 1017 CA ASN A 67 -1.076 -1.901 9.739 1.00 0.00 C ATOM 1018 C ASN A 67 -1.241 -3.300 9.142 1.00 0.00 C ATOM 1019 O ASN A 67 -1.781 -4.196 9.789 1.00 0.00 O ATOM 1020 CB ASN A 67 -2.097 -1.747 10.869 1.00 0.00 C ATOM 1021 CG ASN A 67 -1.978 -0.373 11.531 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -0.898 0.153 11.741 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -3.147 0.178 11.846 1.00 0.00 N ATOM 0 H ASN A 67 -0.496 -0.292 8.529 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.071 -1.760 10.138 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.104 -1.879 10.474 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.942 -2.528 11.613 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.175 1.095 12.291 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.015 -0.317 11.642 1.00 0.00 H new ATOM 1030 N ASN A 68 -0.766 -3.444 7.913 1.00 0.00 N ATOM 1031 CA ASN A 68 -0.853 -4.718 7.221 1.00 0.00 C ATOM 1032 C ASN A 68 0.529 -5.100 6.688 1.00 0.00 C ATOM 1033 O ASN A 68 1.246 -4.257 6.150 1.00 0.00 O ATOM 1034 CB ASN A 68 -1.812 -4.634 6.032 1.00 0.00 C ATOM 1035 CG ASN A 68 -3.244 -4.964 6.457 1.00 0.00 C ATOM 1036 OD1 ASN A 68 -3.609 -6.108 6.669 1.00 0.00 O ATOM 1037 ND2 ASN A 68 -4.033 -3.899 6.571 1.00 0.00 N ATOM 0 H ASN A 68 -0.319 -2.698 7.379 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.220 -5.462 7.929 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -1.778 -3.632 5.603 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.492 -5.326 5.253 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.007 -4.014 6.851 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.664 -2.968 6.379 1.00 0.00 H new ATOM 1044 N SER A 69 0.862 -6.372 6.855 1.00 0.00 N ATOM 1045 CA SER A 69 2.146 -6.876 6.398 1.00 0.00 C ATOM 1046 C SER A 69 2.016 -7.423 4.975 1.00 0.00 C ATOM 1047 O SER A 69 0.951 -7.901 4.585 1.00 0.00 O ATOM 1048 CB SER A 69 2.679 -7.959 7.337 1.00 0.00 C ATOM 1049 OG SER A 69 2.583 -7.573 8.706 1.00 0.00 O ATOM 0 H SER A 69 0.265 -7.068 7.301 1.00 0.00 H new ATOM 0 HA SER A 69 2.858 -6.051 6.400 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.120 -8.882 7.180 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.720 -8.171 7.092 1.00 0.00 H new ATOM 0 HG SER A 69 2.932 -8.292 9.274 1.00 0.00 H new ATOM 1055 N GLY A 70 3.114 -7.337 4.239 1.00 0.00 N ATOM 1056 CA GLY A 70 3.136 -7.818 2.868 1.00 0.00 C ATOM 1057 C GLY A 70 2.377 -9.140 2.739 1.00 0.00 C ATOM 1058 O GLY A 70 1.806 -9.432 1.690 1.00 0.00 O ATOM 0 H GLY A 70 3.995 -6.941 4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.690 -7.072 2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.167 -7.953 2.543 1.00 0.00 H new ATOM 1062 N SER A 71 2.396 -9.905 3.821 1.00 0.00 N ATOM 1063 CA SER A 71 1.716 -11.189 3.841 1.00 0.00 C ATOM 1064 C SER A 71 0.201 -10.979 3.865 1.00 0.00 C ATOM 1065 O SER A 71 -0.528 -11.605 3.098 1.00 0.00 O ATOM 1066 CB SER A 71 2.155 -12.025 5.045 1.00 0.00 C ATOM 1067 OG SER A 71 3.529 -11.821 5.364 1.00 0.00 O ATOM 0 H SER A 71 2.871 -9.660 4.690 1.00 0.00 H new ATOM 0 HA SER A 71 1.986 -11.733 2.936 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.540 -11.768 5.908 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.984 -13.081 4.835 1.00 0.00 H new ATOM 0 HG SER A 71 3.770 -12.371 6.139 1.00 0.00 H new ATOM 1073 N ASP A 72 -0.228 -10.095 4.755 1.00 0.00 N ATOM 1074 CA ASP A 72 -1.643 -9.795 4.889 1.00 0.00 C ATOM 1075 C ASP A 72 -2.204 -9.384 3.526 1.00 0.00 C ATOM 1076 O ASP A 72 -3.271 -9.847 3.125 1.00 0.00 O ATOM 1077 CB ASP A 72 -1.871 -8.637 5.862 1.00 0.00 C ATOM 1078 CG ASP A 72 -1.926 -9.034 7.339 1.00 0.00 C ATOM 1079 OD1 ASP A 72 -2.453 -10.134 7.611 1.00 0.00 O ATOM 1080 OD2 ASP A 72 -1.439 -8.229 8.162 1.00 0.00 O ATOM 0 H ASP A 72 0.380 -9.577 5.390 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.142 -10.687 5.267 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.073 -7.907 5.727 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.805 -8.141 5.600 1.00 0.00 H new ATOM 1085 N VAL A 73 -1.460 -8.520 2.852 1.00 0.00 N ATOM 1086 CA VAL A 73 -1.870 -8.041 1.542 1.00 0.00 C ATOM 1087 C VAL A 73 -1.792 -9.191 0.537 1.00 0.00 C ATOM 1088 O VAL A 73 -2.683 -9.355 -0.295 1.00 0.00 O ATOM 1089 CB VAL A 73 -1.022 -6.834 1.137 1.00 0.00 C ATOM 1090 CG1 VAL A 73 -1.519 -6.231 -0.178 1.00 0.00 C ATOM 1091 CG2 VAL A 73 -0.998 -5.783 2.249 1.00 0.00 C ATOM 0 H VAL A 73 -0.576 -8.139 3.188 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.905 -7.700 1.566 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.000 -7.180 0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.899 -5.375 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.459 -6.980 -0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.553 -5.908 -0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.388 -4.936 1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.014 -5.444 2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.574 -6.220 3.153 1.00 0.00 H new ATOM 1101 N LEU A 74 -0.717 -9.959 0.646 1.00 0.00 N ATOM 1102 CA LEU A 74 -0.511 -11.089 -0.243 1.00 0.00 C ATOM 1103 C LEU A 74 -1.692 -12.054 -0.117 1.00 0.00 C ATOM 1104 O LEU A 74 -2.413 -12.289 -1.085 1.00 0.00 O ATOM 1105 CB LEU A 74 0.847 -11.741 0.024 1.00 0.00 C ATOM 1106 CG LEU A 74 2.007 -11.253 -0.846 1.00 0.00 C ATOM 1107 CD1 LEU A 74 3.346 -11.768 -0.314 1.00 0.00 C ATOM 1108 CD2 LEU A 74 1.790 -11.630 -2.313 1.00 0.00 C ATOM 0 H LEU A 74 0.020 -9.820 1.337 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.480 -10.756 -1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.108 -11.576 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.744 -12.818 -0.112 1.00 0.00 H new ATOM 0 HG LEU A 74 2.037 -10.165 -0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.154 -11.407 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.496 -11.407 0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.343 -12.858 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.629 -11.271 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.718 -12.714 -2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.868 -11.174 -2.673 1.00 0.00 H new ATOM 1120 N GLU A 75 -1.852 -12.588 1.086 1.00 0.00 N ATOM 1121 CA GLU A 75 -2.932 -13.522 1.352 1.00 0.00 C ATOM 1122 C GLU A 75 -4.240 -13.008 0.746 1.00 0.00 C ATOM 1123 O GLU A 75 -5.002 -13.777 0.162 1.00 0.00 O ATOM 1124 CB GLU A 75 -3.085 -13.771 2.853 1.00 0.00 C ATOM 1125 CG GLU A 75 -1.787 -14.318 3.453 1.00 0.00 C ATOM 1126 CD GLU A 75 -2.051 -15.587 4.266 1.00 0.00 C ATOM 1127 OE1 GLU A 75 -2.234 -16.644 3.624 1.00 0.00 O ATOM 1128 OE2 GLU A 75 -2.064 -15.471 5.510 1.00 0.00 O ATOM 0 H GLU A 75 -1.251 -12.391 1.887 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.686 -14.474 0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.358 -12.842 3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.897 -14.477 3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.076 -14.534 2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.330 -13.562 4.091 1.00 0.00 H new ATOM 1135 N TRP A 76 -4.459 -11.711 0.905 1.00 0.00 N ATOM 1136 CA TRP A 76 -5.661 -11.086 0.381 1.00 0.00 C ATOM 1137 C TRP A 76 -5.560 -11.071 -1.146 1.00 0.00 C ATOM 1138 O TRP A 76 -6.533 -11.364 -1.839 1.00 0.00 O ATOM 1139 CB TRP A 76 -5.860 -9.692 0.980 1.00 0.00 C ATOM 1140 CG TRP A 76 -6.928 -8.856 0.272 1.00 0.00 C ATOM 1141 CD1 TRP A 76 -8.214 -8.699 0.615 1.00 0.00 C ATOM 1142 CD2 TRP A 76 -6.749 -8.065 -0.921 1.00 0.00 C ATOM 1143 NE1 TRP A 76 -8.874 -7.867 -0.266 1.00 0.00 N ATOM 1144 CE2 TRP A 76 -7.955 -7.470 -1.230 1.00 0.00 C ATOM 1145 CE3 TRP A 76 -5.606 -7.859 -1.714 1.00 0.00 C ATOM 1146 CZ2 TRP A 76 -8.135 -6.629 -2.336 1.00 0.00 C ATOM 1147 CZ3 TRP A 76 -5.802 -7.017 -2.815 1.00 0.00 C ATOM 1148 CH2 TRP A 76 -7.009 -6.410 -3.140 1.00 0.00 C ATOM 0 H TRP A 76 -3.824 -11.076 1.389 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.546 -11.655 0.666 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -6.131 -9.795 2.031 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.912 -9.155 0.947 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -8.676 -9.165 1.473 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -9.856 -7.594 -0.218 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.652 -8.314 -1.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -9.090 -6.174 -2.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -4.955 -6.826 -3.457 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.079 -5.772 -4.009 1.00 0.00 H new ATOM 1159 N LEU A 77 -4.373 -10.727 -1.624 1.00 0.00 N ATOM 1160 CA LEU A 77 -4.132 -10.670 -3.056 1.00 0.00 C ATOM 1161 C LEU A 77 -4.665 -11.946 -3.710 1.00 0.00 C ATOM 1162 O LEU A 77 -5.410 -11.883 -4.687 1.00 0.00 O ATOM 1163 CB LEU A 77 -2.652 -10.406 -3.340 1.00 0.00 C ATOM 1164 CG LEU A 77 -2.351 -9.411 -4.463 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -3.378 -9.530 -5.590 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -2.258 -7.984 -3.920 1.00 0.00 C ATOM 0 H LEU A 77 -3.568 -10.485 -1.046 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.672 -9.834 -3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.186 -10.042 -2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.175 -11.355 -3.585 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.378 -9.658 -4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.141 -8.812 -6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.352 -10.539 -6.001 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.374 -9.324 -5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.043 -7.297 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.205 -7.710 -3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.460 -7.928 -3.180 1.00 0.00 H new ATOM 1178 N GLN A 78 -4.263 -13.075 -3.145 1.00 0.00 N ATOM 1179 CA GLN A 78 -4.691 -14.364 -3.661 1.00 0.00 C ATOM 1180 C GLN A 78 -6.177 -14.584 -3.372 1.00 0.00 C ATOM 1181 O GLN A 78 -6.859 -15.292 -4.112 1.00 0.00 O ATOM 1182 CB GLN A 78 -3.845 -15.497 -3.076 1.00 0.00 C ATOM 1183 CG GLN A 78 -2.397 -15.406 -3.560 1.00 0.00 C ATOM 1184 CD GLN A 78 -1.807 -16.799 -3.792 1.00 0.00 C ATOM 1185 OE1 GLN A 78 -2.308 -17.801 -3.309 1.00 0.00 O ATOM 1186 NE2 GLN A 78 -0.718 -16.805 -4.555 1.00 0.00 N ATOM 0 H GLN A 78 -3.645 -13.124 -2.335 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.546 -14.367 -4.741 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.872 -15.451 -1.987 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.269 -16.459 -3.365 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.355 -14.831 -4.485 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.797 -14.871 -2.824 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.351 -15.929 -4.927 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.249 -17.686 -4.768 1.00 0.00 H new ATOM 1195 N ALA A 79 -6.636 -13.965 -2.294 1.00 0.00 N ATOM 1196 CA ALA A 79 -8.029 -14.085 -1.898 1.00 0.00 C ATOM 1197 C ALA A 79 -8.913 -13.409 -2.948 1.00 0.00 C ATOM 1198 O ALA A 79 -10.003 -13.892 -3.251 1.00 0.00 O ATOM 1199 CB ALA A 79 -8.217 -13.484 -0.504 1.00 0.00 C ATOM 0 H ALA A 79 -6.068 -13.379 -1.683 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.324 -15.133 -1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.262 -13.574 -0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.590 -14.018 0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.934 -12.432 -0.520 1.00 0.00 H new ATOM 1205 N GLN A 80 -8.410 -12.302 -3.475 1.00 0.00 N ATOM 1206 CA GLN A 80 -9.140 -11.555 -4.485 1.00 0.00 C ATOM 1207 C GLN A 80 -9.447 -12.449 -5.688 1.00 0.00 C ATOM 1208 O GLN A 80 -8.616 -13.261 -6.090 1.00 0.00 O ATOM 1209 CB GLN A 80 -8.364 -10.308 -4.912 1.00 0.00 C ATOM 1210 CG GLN A 80 -8.113 -9.383 -3.719 1.00 0.00 C ATOM 1211 CD GLN A 80 -9.355 -9.282 -2.832 1.00 0.00 C ATOM 1212 OE1 GLN A 80 -10.302 -8.570 -3.125 1.00 0.00 O ATOM 1213 NE2 GLN A 80 -9.299 -10.031 -1.735 1.00 0.00 N ATOM 0 H GLN A 80 -7.506 -11.905 -3.221 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.084 -11.224 -4.053 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.413 -10.602 -5.356 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.922 -9.773 -5.680 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.274 -9.758 -3.134 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.835 -8.391 -4.076 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.476 -10.604 -1.550 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.079 -10.033 -1.078 1.00 0.00 H new ATOM 1222 N LYS A 81 -10.643 -12.269 -6.229 1.00 0.00 N ATOM 1223 CA LYS A 81 -11.070 -13.049 -7.378 1.00 0.00 C ATOM 1224 C LYS A 81 -10.668 -12.320 -8.661 1.00 0.00 C ATOM 1225 O LYS A 81 -10.850 -12.844 -9.760 1.00 0.00 O ATOM 1226 CB LYS A 81 -12.566 -13.359 -7.289 1.00 0.00 C ATOM 1227 CG LYS A 81 -13.062 -14.037 -8.568 1.00 0.00 C ATOM 1228 CD LYS A 81 -14.274 -14.926 -8.283 1.00 0.00 C ATOM 1229 CE LYS A 81 -15.552 -14.092 -8.172 1.00 0.00 C ATOM 1230 NZ LYS A 81 -16.189 -13.942 -9.499 1.00 0.00 N ATOM 0 H LYS A 81 -11.330 -11.594 -5.893 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.568 -14.016 -7.390 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.757 -14.006 -6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.123 -12.437 -7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.327 -13.280 -9.306 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.261 -14.636 -9.000 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.384 -15.663 -9.079 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.115 -15.478 -7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.246 -14.570 -7.481 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.318 -13.110 -7.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.055 -13.374 -9.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.531 -13.466 -10.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.430 -14.881 -9.877 1.00 0.00 H new ATOM 1244 N VAL A 82 -10.129 -11.123 -8.481 1.00 0.00 N ATOM 1245 CA VAL A 82 -9.700 -10.317 -9.611 1.00 0.00 C ATOM 1246 C VAL A 82 -8.301 -10.759 -10.045 1.00 0.00 C ATOM 1247 O VAL A 82 -7.421 -10.954 -9.208 1.00 0.00 O ATOM 1248 CB VAL A 82 -9.774 -8.832 -9.252 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -9.107 -7.974 -10.329 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -11.222 -8.394 -9.021 1.00 0.00 C ATOM 0 H VAL A 82 -9.980 -10.692 -7.569 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.366 -10.465 -10.461 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.228 -8.685 -8.320 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.173 -6.923 -10.049 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.059 -8.259 -10.424 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.613 -8.129 -11.282 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.245 -7.334 -8.767 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.802 -8.563 -9.928 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.651 -8.972 -8.203 1.00 0.00 H new ATOM 1260 N GLN A 83 -8.140 -10.903 -11.352 1.00 0.00 N ATOM 1261 CA GLN A 83 -6.862 -11.318 -11.907 1.00 0.00 C ATOM 1262 C GLN A 83 -6.031 -10.094 -12.296 1.00 0.00 C ATOM 1263 O GLN A 83 -6.518 -9.202 -12.989 1.00 0.00 O ATOM 1264 CB GLN A 83 -7.061 -12.249 -13.104 1.00 0.00 C ATOM 1265 CG GLN A 83 -7.746 -13.550 -12.678 1.00 0.00 C ATOM 1266 CD GLN A 83 -8.936 -13.866 -13.587 1.00 0.00 C ATOM 1267 OE1 GLN A 83 -8.959 -14.855 -14.301 1.00 0.00 O ATOM 1268 NE2 GLN A 83 -9.919 -12.973 -13.520 1.00 0.00 N ATOM 0 H GLN A 83 -8.873 -10.740 -12.043 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.319 -11.874 -11.143 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.663 -11.748 -13.863 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -6.096 -12.474 -13.559 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.029 -14.371 -12.712 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.085 -13.466 -11.645 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.835 -12.167 -12.900 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.757 -13.094 -14.088 1.00 0.00 H new ATOM 1277 N VAL A 84 -4.789 -10.091 -11.834 1.00 0.00 N ATOM 1278 CA VAL A 84 -3.885 -8.992 -12.126 1.00 0.00 C ATOM 1279 C VAL A 84 -2.788 -9.477 -13.076 1.00 0.00 C ATOM 1280 O VAL A 84 -1.914 -10.247 -12.680 1.00 0.00 O ATOM 1281 CB VAL A 84 -3.332 -8.409 -10.824 1.00 0.00 C ATOM 1282 CG1 VAL A 84 -4.052 -7.109 -10.456 1.00 0.00 C ATOM 1283 CG2 VAL A 84 -3.423 -9.427 -9.685 1.00 0.00 C ATOM 0 H VAL A 84 -4.388 -10.832 -11.260 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.417 -8.184 -12.629 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.279 -8.176 -10.982 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.640 -6.715 -9.527 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.913 -6.378 -11.253 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.116 -7.307 -10.326 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.023 -8.987 -8.771 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.465 -9.705 -9.528 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.845 -10.315 -9.943 1.00 0.00 H new ATOM 1293 N SER A 85 -2.869 -9.007 -14.312 1.00 0.00 N ATOM 1294 CA SER A 85 -1.895 -9.384 -15.322 1.00 0.00 C ATOM 1295 C SER A 85 -0.491 -9.400 -14.714 1.00 0.00 C ATOM 1296 O SER A 85 0.353 -10.201 -15.113 1.00 0.00 O ATOM 1297 CB SER A 85 -1.944 -8.431 -16.518 1.00 0.00 C ATOM 1298 OG SER A 85 -0.844 -8.626 -17.402 1.00 0.00 O ATOM 0 H SER A 85 -3.595 -8.368 -14.637 1.00 0.00 H new ATOM 0 HA SER A 85 -2.142 -10.384 -15.679 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.877 -8.580 -17.062 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.944 -7.401 -16.161 1.00 0.00 H new ATOM 0 HG SER A 85 -0.913 -8.000 -18.153 1.00 0.00 H new ATOM 1304 N SER A 86 -0.284 -8.506 -13.759 1.00 0.00 N ATOM 1305 CA SER A 86 1.003 -8.407 -13.092 1.00 0.00 C ATOM 1306 C SER A 86 0.808 -8.419 -11.574 1.00 0.00 C ATOM 1307 O SER A 86 -0.106 -9.067 -11.067 1.00 0.00 O ATOM 1308 CB SER A 86 1.750 -7.143 -13.521 1.00 0.00 C ATOM 1309 OG SER A 86 1.652 -6.915 -14.924 1.00 0.00 O ATOM 0 H SER A 86 -0.986 -7.843 -13.431 1.00 0.00 H new ATOM 0 HA SER A 86 1.605 -9.268 -13.382 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.346 -6.284 -12.985 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.800 -7.229 -13.240 1.00 0.00 H new ATOM 0 HG SER A 86 2.140 -6.098 -15.158 1.00 0.00 H new ATOM 1315 N GLN A 87 1.682 -7.694 -10.892 1.00 0.00 N ATOM 1316 CA GLN A 87 1.618 -7.613 -9.442 1.00 0.00 C ATOM 1317 C GLN A 87 1.833 -6.170 -8.981 1.00 0.00 C ATOM 1318 O GLN A 87 2.812 -5.531 -9.364 1.00 0.00 O ATOM 1319 CB GLN A 87 2.637 -8.553 -8.795 1.00 0.00 C ATOM 1320 CG GLN A 87 2.033 -9.267 -7.585 1.00 0.00 C ATOM 1321 CD GLN A 87 2.980 -10.346 -7.055 1.00 0.00 C ATOM 1322 OE1 GLN A 87 4.180 -10.316 -7.273 1.00 0.00 O ATOM 1323 NE2 GLN A 87 2.375 -11.298 -6.350 1.00 0.00 N ATOM 0 H GLN A 87 2.438 -7.157 -11.316 1.00 0.00 H new ATOM 0 HA GLN A 87 0.626 -7.932 -9.123 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.973 -9.289 -9.525 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.515 -7.986 -8.486 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.825 -8.543 -6.798 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.081 -9.719 -7.863 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.366 -11.262 -6.205 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.920 -12.064 -5.954 1.00 0.00 H new ATOM 1332 N PRO A 88 0.877 -5.686 -8.144 1.00 0.00 N ATOM 1333 CA PRO A 88 0.952 -4.330 -7.627 1.00 0.00 C ATOM 1334 C PRO A 88 2.016 -4.219 -6.532 1.00 0.00 C ATOM 1335 O PRO A 88 2.548 -5.229 -6.074 1.00 0.00 O ATOM 1336 CB PRO A 88 -0.450 -4.022 -7.126 1.00 0.00 C ATOM 1337 CG PRO A 88 -1.136 -5.367 -6.955 1.00 0.00 C ATOM 1338 CD PRO A 88 -0.296 -6.413 -7.669 1.00 0.00 C ATOM 0 HA PRO A 88 1.258 -3.607 -8.384 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.417 -3.478 -6.182 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -0.990 -3.396 -7.836 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.235 -5.613 -5.898 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.143 -5.337 -7.371 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.014 -7.222 -6.995 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.844 -6.864 -8.496 1.00 0.00 H new ATOM 1346 N GLU A 89 2.294 -2.983 -6.145 1.00 0.00 N ATOM 1347 CA GLU A 89 3.284 -2.727 -5.114 1.00 0.00 C ATOM 1348 C GLU A 89 2.622 -2.706 -3.735 1.00 0.00 C ATOM 1349 O GLU A 89 1.701 -1.926 -3.497 1.00 0.00 O ATOM 1350 CB GLU A 89 4.031 -1.419 -5.383 1.00 0.00 C ATOM 1351 CG GLU A 89 5.104 -1.610 -6.457 1.00 0.00 C ATOM 1352 CD GLU A 89 4.946 -0.583 -7.580 1.00 0.00 C ATOM 1353 OE1 GLU A 89 3.833 -0.529 -8.148 1.00 0.00 O ATOM 1354 OE2 GLU A 89 5.941 0.126 -7.844 1.00 0.00 O ATOM 0 H GLU A 89 1.851 -2.148 -6.527 1.00 0.00 H new ATOM 0 HA GLU A 89 4.015 -3.535 -5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.325 -0.652 -5.702 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.493 -1.064 -4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.093 -1.515 -6.009 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.036 -2.617 -6.868 1.00 0.00 H new ATOM 1361 N LEU A 90 3.116 -3.572 -2.863 1.00 0.00 N ATOM 1362 CA LEU A 90 2.583 -3.663 -1.514 1.00 0.00 C ATOM 1363 C LEU A 90 3.299 -2.650 -0.618 1.00 0.00 C ATOM 1364 O LEU A 90 4.372 -2.933 -0.089 1.00 0.00 O ATOM 1365 CB LEU A 90 2.664 -5.102 -1.002 1.00 0.00 C ATOM 1366 CG LEU A 90 2.111 -6.179 -1.937 1.00 0.00 C ATOM 1367 CD1 LEU A 90 1.675 -7.417 -1.150 1.00 0.00 C ATOM 1368 CD2 LEU A 90 0.981 -5.624 -2.805 1.00 0.00 C ATOM 0 H LEU A 90 3.880 -4.217 -3.064 1.00 0.00 H new ATOM 0 HA LEU A 90 1.524 -3.405 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.708 -5.333 -0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.127 -5.160 -0.055 1.00 0.00 H new ATOM 0 HG LEU A 90 2.910 -6.490 -2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.286 -8.167 -1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.530 -7.826 -0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.898 -7.140 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.606 -6.410 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.173 -5.268 -2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.358 -4.798 -3.408 1.00 0.00 H new ATOM 1380 N LEU A 91 2.675 -1.489 -0.476 1.00 0.00 N ATOM 1381 CA LEU A 91 3.240 -0.432 0.346 1.00 0.00 C ATOM 1382 C LEU A 91 2.220 -0.021 1.410 1.00 0.00 C ATOM 1383 O LEU A 91 1.014 -0.083 1.176 1.00 0.00 O ATOM 1384 CB LEU A 91 3.719 0.728 -0.527 1.00 0.00 C ATOM 1385 CG LEU A 91 4.001 0.393 -1.993 1.00 0.00 C ATOM 1386 CD1 LEU A 91 4.813 -0.898 -2.114 1.00 0.00 C ATOM 1387 CD2 LEU A 91 2.703 0.331 -2.801 1.00 0.00 C ATOM 0 H LEU A 91 1.784 -1.258 -0.916 1.00 0.00 H new ATOM 0 HA LEU A 91 4.125 -0.790 0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.967 1.516 -0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.629 1.136 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 91 4.606 1.195 -2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.000 -1.113 -3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.763 -0.780 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.255 -1.722 -1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.932 0.091 -3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.052 -0.439 -2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.199 1.296 -2.754 1.00 0.00 H new ATOM 1399 N ASP A 92 2.742 0.390 2.556 1.00 0.00 N ATOM 1400 CA ASP A 92 1.892 0.812 3.657 1.00 0.00 C ATOM 1401 C ASP A 92 1.390 2.233 3.393 1.00 0.00 C ATOM 1402 O ASP A 92 1.972 2.962 2.591 1.00 0.00 O ATOM 1403 CB ASP A 92 2.665 0.821 4.977 1.00 0.00 C ATOM 1404 CG ASP A 92 2.010 1.623 6.104 1.00 0.00 C ATOM 1405 OD1 ASP A 92 0.922 1.195 6.547 1.00 0.00 O ATOM 1406 OD2 ASP A 92 2.612 2.645 6.497 1.00 0.00 O ATOM 0 H ASP A 92 3.743 0.440 2.746 1.00 0.00 H new ATOM 0 HA ASP A 92 1.062 0.110 3.730 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.795 -0.208 5.312 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.661 1.225 4.795 1.00 0.00 H new ATOM 1411 N VAL A 93 0.315 2.584 4.083 1.00 0.00 N ATOM 1412 CA VAL A 93 -0.272 3.905 3.932 1.00 0.00 C ATOM 1413 C VAL A 93 0.845 4.942 3.800 1.00 0.00 C ATOM 1414 O VAL A 93 0.677 5.958 3.126 1.00 0.00 O ATOM 1415 CB VAL A 93 -1.219 4.193 5.099 1.00 0.00 C ATOM 1416 CG1 VAL A 93 -0.478 4.128 6.436 1.00 0.00 C ATOM 1417 CG2 VAL A 93 -1.913 5.544 4.922 1.00 0.00 C ATOM 0 H VAL A 93 -0.165 1.977 4.748 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.872 3.955 3.023 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.988 3.420 5.104 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.174 4.337 7.248 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.053 3.133 6.569 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.322 4.868 6.445 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.580 5.724 5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.164 6.335 4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.490 5.538 3.997 1.00 0.00 H new ATOM 1427 N SER A 94 1.960 4.651 4.453 1.00 0.00 N ATOM 1428 CA SER A 94 3.105 5.546 4.416 1.00 0.00 C ATOM 1429 C SER A 94 3.407 5.950 2.971 1.00 0.00 C ATOM 1430 O SER A 94 3.474 7.137 2.656 1.00 0.00 O ATOM 1431 CB SER A 94 4.334 4.895 5.053 1.00 0.00 C ATOM 1432 OG SER A 94 4.205 4.782 6.468 1.00 0.00 O ATOM 0 H SER A 94 2.096 3.808 5.011 1.00 0.00 H new ATOM 0 HA SER A 94 2.860 6.438 4.993 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.484 3.905 4.622 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.220 5.484 4.816 1.00 0.00 H new ATOM 0 HG SER A 94 3.838 3.902 6.694 1.00 0.00 H new ATOM 1438 N TRP A 95 3.582 4.939 2.132 1.00 0.00 N ATOM 1439 CA TRP A 95 3.876 5.174 0.729 1.00 0.00 C ATOM 1440 C TRP A 95 2.863 6.191 0.198 1.00 0.00 C ATOM 1441 O TRP A 95 3.241 7.268 -0.260 1.00 0.00 O ATOM 1442 CB TRP A 95 3.875 3.862 -0.058 1.00 0.00 C ATOM 1443 CG TRP A 95 4.372 4.001 -1.499 1.00 0.00 C ATOM 1444 CD1 TRP A 95 5.631 4.172 -1.925 1.00 0.00 C ATOM 1445 CD2 TRP A 95 3.563 3.973 -2.694 1.00 0.00 C ATOM 1446 NE1 TRP A 95 5.692 4.256 -3.301 1.00 0.00 N ATOM 1447 CE2 TRP A 95 4.395 4.131 -3.783 1.00 0.00 C ATOM 1448 CE3 TRP A 95 2.174 3.818 -2.849 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 3.932 4.150 -5.104 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 1.727 3.840 -4.175 1.00 0.00 C ATOM 1451 CH2 TRP A 95 2.552 3.998 -5.283 1.00 0.00 C ATOM 0 H TRP A 95 3.526 3.956 2.397 1.00 0.00 H new ATOM 0 HA TRP A 95 4.878 5.585 0.608 1.00 0.00 H new ATOM 0 HB2 TRP A 95 4.500 3.137 0.463 1.00 0.00 H new ATOM 0 HB3 TRP A 95 2.863 3.459 -0.071 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.490 4.236 -1.273 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.534 4.386 -3.861 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.505 3.692 -2.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.604 4.275 -5.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.667 3.726 -4.350 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.130 4.003 -6.277 1.00 0.00 H new ATOM 1462 N LEU A 96 1.596 5.812 0.276 1.00 0.00 N ATOM 1463 CA LEU A 96 0.526 6.677 -0.191 1.00 0.00 C ATOM 1464 C LEU A 96 0.710 8.075 0.403 1.00 0.00 C ATOM 1465 O LEU A 96 0.662 9.070 -0.317 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.838 6.054 0.113 1.00 0.00 C ATOM 1467 CG LEU A 96 -2.002 6.529 -0.759 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -2.880 7.529 -0.005 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -1.496 7.097 -2.087 1.00 0.00 C ATOM 0 H LEU A 96 1.286 4.917 0.656 1.00 0.00 H new ATOM 0 HA LEU A 96 0.568 6.783 -1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.752 4.972 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.084 6.258 1.155 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.626 5.667 -0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.700 7.850 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.285 7.056 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.282 8.395 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.343 7.427 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.837 7.943 -1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.947 6.326 -2.627 1.00 0.00 H new ATOM 1481 N ILE A 97 0.916 8.104 1.712 1.00 0.00 N ATOM 1482 CA ILE A 97 1.107 9.364 2.411 1.00 0.00 C ATOM 1483 C ILE A 97 2.234 10.149 1.738 1.00 0.00 C ATOM 1484 O ILE A 97 2.065 11.321 1.403 1.00 0.00 O ATOM 1485 CB ILE A 97 1.334 9.119 3.904 1.00 0.00 C ATOM 1486 CG1 ILE A 97 0.035 8.699 4.595 1.00 0.00 C ATOM 1487 CG2 ILE A 97 1.969 10.341 4.570 1.00 0.00 C ATOM 1488 CD1 ILE A 97 0.295 8.280 6.043 1.00 0.00 C ATOM 0 H ILE A 97 0.955 7.276 2.306 1.00 0.00 H new ATOM 0 HA ILE A 97 0.208 9.977 2.345 1.00 0.00 H new ATOM 0 HB ILE A 97 2.037 8.293 4.011 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.676 9.525 4.574 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.420 7.872 4.050 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.120 10.140 5.631 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.930 10.553 4.101 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.311 11.202 4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.645 7.986 6.511 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.987 7.438 6.059 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.728 9.116 6.592 1.00 0.00 H new ATOM 1500 N GLU A 98 3.360 9.473 1.561 1.00 0.00 N ATOM 1501 CA GLU A 98 4.515 10.093 0.934 1.00 0.00 C ATOM 1502 C GLU A 98 4.195 10.467 -0.515 1.00 0.00 C ATOM 1503 O GLU A 98 4.582 11.537 -0.983 1.00 0.00 O ATOM 1504 CB GLU A 98 5.737 9.176 1.007 1.00 0.00 C ATOM 1505 CG GLU A 98 6.298 9.123 2.429 1.00 0.00 C ATOM 1506 CD GLU A 98 7.703 9.727 2.487 1.00 0.00 C ATOM 1507 OE1 GLU A 98 8.516 9.357 1.612 1.00 0.00 O ATOM 1508 OE2 GLU A 98 7.932 10.545 3.403 1.00 0.00 O ATOM 0 H GLU A 98 3.497 8.502 1.841 1.00 0.00 H new ATOM 0 HA GLU A 98 4.754 11.006 1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.463 8.172 0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.506 9.533 0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.637 9.665 3.105 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.328 8.089 2.774 1.00 0.00 H new ATOM 1515 N CYS A 99 3.493 9.565 -1.184 1.00 0.00 N ATOM 1516 CA CYS A 99 3.118 9.786 -2.570 1.00 0.00 C ATOM 1517 C CYS A 99 2.400 11.135 -2.664 1.00 0.00 C ATOM 1518 O CYS A 99 2.405 11.772 -3.716 1.00 0.00 O ATOM 1519 CB CYS A 99 2.258 8.643 -3.113 1.00 0.00 C ATOM 1520 SG CYS A 99 3.253 7.112 -3.229 1.00 0.00 S ATOM 0 H CYS A 99 3.174 8.679 -0.792 1.00 0.00 H new ATOM 0 HA CYS A 99 4.013 9.807 -3.192 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.400 8.481 -2.460 1.00 0.00 H new ATOM 0 HB3 CYS A 99 1.866 8.907 -4.095 1.00 0.00 H new ATOM 0 HG CYS A 99 2.554 6.106 -2.794 1.00 0.00 H new ATOM 1526 N ILE A 100 1.801 11.529 -1.550 1.00 0.00 N ATOM 1527 CA ILE A 100 1.081 12.789 -1.493 1.00 0.00 C ATOM 1528 C ILE A 100 2.067 13.923 -1.207 1.00 0.00 C ATOM 1529 O ILE A 100 2.278 14.795 -2.049 1.00 0.00 O ATOM 1530 CB ILE A 100 -0.068 12.705 -0.486 1.00 0.00 C ATOM 1531 CG1 ILE A 100 -1.164 11.760 -0.982 1.00 0.00 C ATOM 1532 CG2 ILE A 100 -0.614 14.097 -0.160 1.00 0.00 C ATOM 1533 CD1 ILE A 100 -2.148 11.424 0.140 1.00 0.00 C ATOM 0 H ILE A 100 1.800 10.997 -0.680 1.00 0.00 H new ATOM 0 HA ILE A 100 0.616 13.005 -2.455 1.00 0.00 H new ATOM 0 HB ILE A 100 0.321 12.287 0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.698 12.221 -1.813 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.714 10.843 -1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.430 14.009 0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.181 14.709 0.267 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -0.983 14.566 -1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.917 10.751 -0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.615 10.941 0.959 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.615 12.340 0.501 1.00 0.00 H new ATOM 1545 N GLY A 101 2.646 13.875 -0.017 1.00 0.00 N ATOM 1546 CA GLY A 101 3.606 14.887 0.391 1.00 0.00 C ATOM 1547 C GLY A 101 4.776 14.960 -0.592 1.00 0.00 C ATOM 1548 O GLY A 101 5.544 15.921 -0.577 1.00 0.00 O ATOM 0 H GLY A 101 2.469 13.151 0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 101 3.114 15.858 0.449 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.979 14.658 1.389 1.00 0.00 H new ATOM 1552 N ALA A 102 4.874 13.933 -1.423 1.00 0.00 N ATOM 1553 CA ALA A 102 5.938 13.869 -2.411 1.00 0.00 C ATOM 1554 C ALA A 102 5.393 14.314 -3.770 1.00 0.00 C ATOM 1555 O ALA A 102 6.157 14.524 -4.711 1.00 0.00 O ATOM 1556 CB ALA A 102 6.515 12.453 -2.450 1.00 0.00 C ATOM 0 H ALA A 102 4.234 13.139 -1.433 1.00 0.00 H new ATOM 0 HA ALA A 102 6.751 14.544 -2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.313 12.406 -3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.915 12.196 -1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.729 11.747 -2.718 1.00 0.00 H new ATOM 1562 N GLY A 103 4.076 14.444 -3.830 1.00 0.00 N ATOM 1563 CA GLY A 103 3.420 14.860 -5.058 1.00 0.00 C ATOM 1564 C GLY A 103 3.871 13.998 -6.239 1.00 0.00 C ATOM 1565 O GLY A 103 3.895 14.463 -7.378 1.00 0.00 O ATOM 0 H GLY A 103 3.445 14.269 -3.048 1.00 0.00 H new ATOM 0 HA2 GLY A 103 2.339 14.785 -4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 103 3.647 15.907 -5.259 1.00 0.00 H new ATOM 1569 N LYS A 104 4.217 12.758 -5.928 1.00 0.00 N ATOM 1570 CA LYS A 104 4.666 11.827 -6.949 1.00 0.00 C ATOM 1571 C LYS A 104 4.781 10.427 -6.343 1.00 0.00 C ATOM 1572 O LYS A 104 4.790 10.275 -5.122 1.00 0.00 O ATOM 1573 CB LYS A 104 5.960 12.325 -7.596 1.00 0.00 C ATOM 1574 CG LYS A 104 7.185 11.828 -6.826 1.00 0.00 C ATOM 1575 CD LYS A 104 8.479 12.296 -7.494 1.00 0.00 C ATOM 1576 CE LYS A 104 9.586 12.503 -6.458 1.00 0.00 C ATOM 1577 NZ LYS A 104 10.901 12.126 -7.023 1.00 0.00 N ATOM 0 H LYS A 104 4.195 12.376 -4.983 1.00 0.00 H new ATOM 0 HA LYS A 104 3.936 11.766 -7.756 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.011 11.980 -8.629 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.961 13.415 -7.624 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.148 12.195 -5.800 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.170 10.739 -6.776 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.799 11.560 -8.231 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.299 13.227 -8.031 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.605 13.546 -6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.379 11.904 -5.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.641 12.272 -6.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.884 11.125 -7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.103 12.716 -7.856 1.00 0.00 H new ATOM 1591 N PRO A 105 4.867 9.415 -7.247 1.00 0.00 N ATOM 1592 CA PRO A 105 4.981 8.033 -6.813 1.00 0.00 C ATOM 1593 C PRO A 105 6.389 7.735 -6.293 1.00 0.00 C ATOM 1594 O PRO A 105 7.260 7.318 -7.054 1.00 0.00 O ATOM 1595 CB PRO A 105 4.612 7.206 -8.034 1.00 0.00 C ATOM 1596 CG PRO A 105 4.757 8.137 -9.227 1.00 0.00 C ATOM 1597 CD PRO A 105 4.859 9.558 -8.699 1.00 0.00 C ATOM 0 HA PRO A 105 4.323 7.800 -5.976 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.267 6.340 -8.132 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.593 6.827 -7.956 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.644 7.880 -9.806 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.901 8.038 -9.895 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.766 10.048 -9.053 1.00 0.00 H new ATOM 0 HD3 PRO A 105 4.018 10.165 -9.032 1.00 0.00 H new ATOM 1605 N VAL A 106 6.568 7.962 -5.000 1.00 0.00 N ATOM 1606 CA VAL A 106 7.855 7.724 -4.370 1.00 0.00 C ATOM 1607 C VAL A 106 8.396 6.366 -4.822 1.00 0.00 C ATOM 1608 O VAL A 106 7.668 5.569 -5.411 1.00 0.00 O ATOM 1609 CB VAL A 106 7.722 7.838 -2.850 1.00 0.00 C ATOM 1610 CG1 VAL A 106 7.574 9.300 -2.421 1.00 0.00 C ATOM 1611 CG2 VAL A 106 6.554 6.995 -2.336 1.00 0.00 C ATOM 0 H VAL A 106 5.843 8.308 -4.372 1.00 0.00 H new ATOM 0 HA VAL A 106 8.577 8.480 -4.678 1.00 0.00 H new ATOM 0 HB VAL A 106 8.637 7.448 -2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.481 9.353 -1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 106 8.452 9.863 -2.738 1.00 0.00 H new ATOM 0 HG13 VAL A 106 6.683 9.726 -2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.482 7.094 -1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.627 7.340 -2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 106 6.719 5.949 -2.594 1.00 0.00 H new ATOM 1621 N GLU A 107 9.669 6.145 -4.528 1.00 0.00 N ATOM 1622 CA GLU A 107 10.316 4.897 -4.898 1.00 0.00 C ATOM 1623 C GLU A 107 10.223 3.891 -3.749 1.00 0.00 C ATOM 1624 O GLU A 107 10.224 4.275 -2.580 1.00 0.00 O ATOM 1625 CB GLU A 107 11.772 5.134 -5.303 1.00 0.00 C ATOM 1626 CG GLU A 107 12.688 5.143 -4.077 1.00 0.00 C ATOM 1627 CD GLU A 107 13.707 6.282 -4.163 1.00 0.00 C ATOM 1628 OE1 GLU A 107 13.258 7.431 -4.364 1.00 0.00 O ATOM 1629 OE2 GLU A 107 14.911 5.977 -4.025 1.00 0.00 O ATOM 0 H GLU A 107 10.269 6.808 -4.038 1.00 0.00 H new ATOM 0 HA GLU A 107 9.796 4.482 -5.762 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.092 4.355 -5.995 1.00 0.00 H new ATOM 0 HB3 GLU A 107 11.856 6.084 -5.831 1.00 0.00 H new ATOM 0 HG2 GLU A 107 12.090 5.253 -3.172 1.00 0.00 H new ATOM 0 HG3 GLU A 107 13.209 4.189 -4.001 1.00 0.00 H new ATOM 1636 N MET A 108 10.145 2.622 -4.121 1.00 0.00 N ATOM 1637 CA MET A 108 10.052 1.557 -3.136 1.00 0.00 C ATOM 1638 C MET A 108 11.442 1.075 -2.717 1.00 0.00 C ATOM 1639 O MET A 108 12.038 0.231 -3.385 1.00 0.00 O ATOM 1640 CB MET A 108 9.261 0.387 -3.723 1.00 0.00 C ATOM 1641 CG MET A 108 7.825 0.803 -4.048 1.00 0.00 C ATOM 1642 SD MET A 108 7.738 1.451 -5.709 1.00 0.00 S ATOM 1643 CE MET A 108 6.024 1.948 -5.759 1.00 0.00 C ATOM 0 H MET A 108 10.144 2.307 -5.091 1.00 0.00 H new ATOM 0 HA MET A 108 9.542 1.946 -2.255 1.00 0.00 H new ATOM 0 HB2 MET A 108 9.753 0.028 -4.627 1.00 0.00 H new ATOM 0 HB3 MET A 108 9.252 -0.442 -3.015 1.00 0.00 H new ATOM 0 HG2 MET A 108 7.158 -0.053 -3.948 1.00 0.00 H new ATOM 0 HG3 MET A 108 7.486 1.556 -3.337 1.00 0.00 H new ATOM 0 HE1 MET A 108 5.736 2.160 -6.789 1.00 0.00 H new ATOM 0 HE2 MET A 108 5.401 1.145 -5.366 1.00 0.00 H new ATOM 0 HE3 MET A 108 5.887 2.843 -5.153 1.00 0.00 H new ATOM 1653 N THR A 109 11.918 1.632 -1.613 1.00 0.00 N ATOM 1654 CA THR A 109 13.227 1.269 -1.097 1.00 0.00 C ATOM 1655 C THR A 109 13.117 0.056 -0.170 1.00 0.00 C ATOM 1656 O THR A 109 13.945 -0.852 -0.230 1.00 0.00 O ATOM 1657 CB THR A 109 13.825 2.501 -0.416 1.00 0.00 C ATOM 1658 OG1 THR A 109 12.980 2.721 0.710 1.00 0.00 O ATOM 1659 CG2 THR A 109 13.664 3.770 -1.256 1.00 0.00 C ATOM 0 H THR A 109 11.421 2.332 -1.062 1.00 0.00 H new ATOM 0 HA THR A 109 13.898 0.966 -1.900 1.00 0.00 H new ATOM 0 HB THR A 109 14.883 2.328 -0.218 1.00 0.00 H new ATOM 0 HG1 THR A 109 13.298 3.502 1.210 1.00 0.00 H new ATOM 0 HG21 THR A 109 14.105 4.615 -0.727 1.00 0.00 H new ATOM 0 HG22 THR A 109 14.167 3.639 -2.214 1.00 0.00 H new ATOM 0 HG23 THR A 109 12.605 3.962 -1.426 1.00 0.00 H new ATOM 1667 N GLY A 110 12.089 0.081 0.665 1.00 0.00 N ATOM 1668 CA GLY A 110 11.861 -1.005 1.603 1.00 0.00 C ATOM 1669 C GLY A 110 10.848 -0.599 2.676 1.00 0.00 C ATOM 1670 O GLY A 110 9.859 -1.296 2.896 1.00 0.00 O ATOM 0 H GLY A 110 11.405 0.836 0.712 1.00 0.00 H new ATOM 0 HA2 GLY A 110 11.497 -1.882 1.068 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.802 -1.287 2.075 1.00 0.00 H new ATOM 1674 N LYS A 111 11.129 0.528 3.314 1.00 0.00 N ATOM 1675 CA LYS A 111 10.255 1.035 4.358 1.00 0.00 C ATOM 1676 C LYS A 111 8.808 1.011 3.862 1.00 0.00 C ATOM 1677 O LYS A 111 7.887 0.751 4.635 1.00 0.00 O ATOM 1678 CB LYS A 111 10.722 2.415 4.824 1.00 0.00 C ATOM 1679 CG LYS A 111 10.496 3.467 3.737 1.00 0.00 C ATOM 1680 CD LYS A 111 11.653 4.467 3.691 1.00 0.00 C ATOM 1681 CE LYS A 111 11.418 5.623 4.665 1.00 0.00 C ATOM 1682 NZ LYS A 111 12.654 5.920 5.424 1.00 0.00 N ATOM 0 H LYS A 111 11.950 1.104 3.128 1.00 0.00 H new ATOM 0 HA LYS A 111 10.301 0.394 5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 111 10.183 2.699 5.728 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.780 2.376 5.083 1.00 0.00 H new ATOM 0 HG2 LYS A 111 10.395 2.978 2.768 1.00 0.00 H new ATOM 0 HG3 LYS A 111 9.562 3.995 3.926 1.00 0.00 H new ATOM 0 HD2 LYS A 111 12.586 3.961 3.940 1.00 0.00 H new ATOM 0 HD3 LYS A 111 11.762 4.856 2.679 1.00 0.00 H new ATOM 0 HE2 LYS A 111 11.099 6.509 4.117 1.00 0.00 H new ATOM 0 HE3 LYS A 111 10.613 5.368 5.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 12.478 6.707 6.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 12.942 5.078 5.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.412 6.184 4.763 1.00 0.00 H new ATOM 1696 N HIS A 112 8.653 1.286 2.575 1.00 0.00 N ATOM 1697 CA HIS A 112 7.333 1.299 1.967 1.00 0.00 C ATOM 1698 C HIS A 112 6.784 -0.128 1.902 1.00 0.00 C ATOM 1699 O HIS A 112 5.648 -0.378 2.304 1.00 0.00 O ATOM 1700 CB HIS A 112 7.373 1.981 0.598 1.00 0.00 C ATOM 1701 CG HIS A 112 8.067 3.322 0.600 1.00 0.00 C ATOM 1702 ND1 HIS A 112 8.632 3.876 -0.536 1.00 0.00 N ATOM 1703 CD2 HIS A 112 8.280 4.214 1.610 1.00 0.00 C ATOM 1704 CE1 HIS A 112 9.159 5.047 -0.212 1.00 0.00 C ATOM 1705 NE2 HIS A 112 8.941 5.255 1.119 1.00 0.00 N ATOM 0 H HIS A 112 9.419 1.501 1.937 1.00 0.00 H new ATOM 0 HA HIS A 112 6.651 1.886 2.582 1.00 0.00 H new ATOM 0 HB2 HIS A 112 7.878 1.323 -0.110 1.00 0.00 H new ATOM 0 HB3 HIS A 112 6.352 2.112 0.239 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.964 4.093 2.636 1.00 0.00 H new ATOM 0 HE1 HIS A 112 9.672 5.720 -0.884 1.00 0.00 H new ATOM 0 HE2 HIS A 112 9.237 6.075 1.649 1.00 0.00 H new ATOM 1713 N GLN A 113 7.615 -1.026 1.394 1.00 0.00 N ATOM 1714 CA GLN A 113 7.226 -2.420 1.272 1.00 0.00 C ATOM 1715 C GLN A 113 6.882 -2.998 2.646 1.00 0.00 C ATOM 1716 O GLN A 113 7.713 -2.989 3.553 1.00 0.00 O ATOM 1717 CB GLN A 113 8.327 -3.239 0.593 1.00 0.00 C ATOM 1718 CG GLN A 113 8.515 -2.804 -0.862 1.00 0.00 C ATOM 1719 CD GLN A 113 7.304 -3.195 -1.712 1.00 0.00 C ATOM 1720 OE1 GLN A 113 6.523 -4.064 -1.363 1.00 0.00 O ATOM 1721 NE2 GLN A 113 7.193 -2.505 -2.844 1.00 0.00 N ATOM 0 H GLN A 113 8.556 -0.815 1.062 1.00 0.00 H new ATOM 0 HA GLN A 113 6.337 -2.475 0.644 1.00 0.00 H new ATOM 0 HB2 GLN A 113 9.264 -3.117 1.137 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.073 -4.298 0.630 1.00 0.00 H new ATOM 0 HG2 GLN A 113 8.662 -1.725 -0.907 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.414 -3.265 -1.270 1.00 0.00 H new ATOM 0 HE21 GLN A 113 7.883 -1.790 -3.075 1.00 0.00 H new ATOM 0 HE22 GLN A 113 6.418 -2.691 -3.481 1.00 0.00 H new ATOM 1730 N LEU A 114 5.656 -3.487 2.757 1.00 0.00 N ATOM 1731 CA LEU A 114 5.192 -4.067 4.006 1.00 0.00 C ATOM 1732 C LEU A 114 6.209 -5.102 4.491 1.00 0.00 C ATOM 1733 O LEU A 114 6.814 -4.934 5.549 1.00 0.00 O ATOM 1734 CB LEU A 114 3.776 -4.625 3.844 1.00 0.00 C ATOM 1735 CG LEU A 114 2.707 -3.624 3.402 1.00 0.00 C ATOM 1736 CD1 LEU A 114 3.102 -2.196 3.783 1.00 0.00 C ATOM 1737 CD2 LEU A 114 2.415 -3.758 1.906 1.00 0.00 C ATOM 0 H LEU A 114 4.970 -3.494 2.003 1.00 0.00 H new ATOM 0 HA LEU A 114 5.122 -3.302 4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.808 -5.437 3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.467 -5.060 4.795 1.00 0.00 H new ATOM 0 HG LEU A 114 1.783 -3.855 3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.325 -1.504 3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.219 -2.127 4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.044 -1.938 3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.652 -3.035 1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.326 -3.569 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.059 -4.766 1.694 1.00 0.00 H new