USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 518 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 54 SER OG : rot -37:sc= 0.242 USER MOD Set 1.2: A 56 THR OG1 : rot 64:sc= 0.753 USER MOD Set 2.1: A 27 CYS SG : rot -58:sc= 0.342 USER MOD Set 2.2: A 28 CYS SG : rot -20:sc= -0.409 USER MOD Single : A 17 GLN : amide:sc= -0.288 K(o=-0.29,f=-2.8!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 38:sc= -0.0153 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -29:sc= 0.0329 USER MOD Single : A 37 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.4!) USER MOD Single : A 40 LYS NZ :NH3+ -160:sc= -0.0382 (180deg=-0.514) USER MOD Single : A 41 SER OG : rot -77:sc= 0.657 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -3.11! C(o=-3.1!,f=-6.5!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0852 USER MOD Single : A 70 GLN : amide:sc= -0.178 K(o=-0.18,f=-1.1) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.61! K(o=-1.6!,f=-0.013) USER MOD Single : A 83 ASN : amide:sc= -0.0118 X(o=-0.012,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 275 N GLN A 17 8.987 -2.918 -6.161 1.00 0.00 N ATOM 276 CA GLN A 17 8.883 -3.825 -5.021 1.00 0.00 C ATOM 277 C GLN A 17 7.567 -3.605 -4.286 1.00 0.00 C ATOM 278 O GLN A 17 7.314 -2.525 -3.755 1.00 0.00 O ATOM 279 CB GLN A 17 10.046 -3.580 -4.060 1.00 0.00 C ATOM 280 CG GLN A 17 9.984 -4.591 -2.915 1.00 0.00 C ATOM 281 CD GLN A 17 11.207 -4.440 -2.018 1.00 0.00 C ATOM 282 OE1 GLN A 17 12.205 -3.843 -2.422 1.00 0.00 O ATOM 283 NE2 GLN A 17 11.188 -4.950 -0.818 1.00 0.00 N ATOM 0 HA GLN A 17 8.918 -4.851 -5.387 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.994 -3.672 -4.589 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.998 -2.565 -3.666 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.075 -4.438 -2.333 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.940 -5.604 -3.315 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.359 -5.444 -0.487 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.002 -4.855 -0.211 1.00 0.00 H new ATOM 292 N LYS A 18 6.735 -4.643 -4.253 1.00 0.00 N ATOM 293 CA LYS A 18 5.444 -4.567 -3.573 1.00 0.00 C ATOM 294 C LYS A 18 5.555 -5.185 -2.183 1.00 0.00 C ATOM 295 O LYS A 18 5.511 -6.406 -2.029 1.00 0.00 O ATOM 296 CB LYS A 18 4.377 -5.322 -4.384 1.00 0.00 C ATOM 297 CG LYS A 18 4.992 -6.591 -5.022 1.00 0.00 C ATOM 298 CD LYS A 18 5.487 -6.287 -6.442 1.00 0.00 C ATOM 299 CE LYS A 18 6.097 -7.549 -7.051 1.00 0.00 C ATOM 300 NZ LYS A 18 6.550 -7.253 -8.439 1.00 0.00 N ATOM 0 H LYS A 18 6.931 -5.545 -4.688 1.00 0.00 H new ATOM 0 HA LYS A 18 5.154 -3.520 -3.483 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.545 -5.598 -3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.974 -4.673 -5.162 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.820 -6.949 -4.410 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.249 -7.388 -5.051 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.660 -5.936 -7.059 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.228 -5.488 -6.417 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.937 -7.890 -6.446 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.363 -8.355 -7.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.966 -8.109 -8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.738 -6.947 -9.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.263 -6.496 -8.418 1.00 0.00 H new ATOM 314 N SER A 19 5.693 -4.334 -1.174 1.00 0.00 N ATOM 315 CA SER A 19 5.801 -4.798 0.205 1.00 0.00 C ATOM 316 C SER A 19 4.424 -4.841 0.853 1.00 0.00 C ATOM 317 O SER A 19 3.534 -4.069 0.492 1.00 0.00 O ATOM 318 CB SER A 19 6.721 -3.866 0.997 1.00 0.00 C ATOM 319 OG SER A 19 8.075 -4.150 0.663 1.00 0.00 O ATOM 0 H SER A 19 5.733 -3.321 -1.283 1.00 0.00 H new ATOM 0 HA SER A 19 6.223 -5.803 0.207 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.488 -2.826 0.769 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.562 -4.001 2.067 1.00 0.00 H new ATOM 0 HG SER A 19 8.139 -4.359 -0.292 1.00 0.00 H new ATOM 325 N TYR A 20 4.252 -5.743 1.817 1.00 0.00 N ATOM 326 CA TYR A 20 2.977 -5.876 2.520 1.00 0.00 C ATOM 327 C TYR A 20 3.079 -5.256 3.905 1.00 0.00 C ATOM 328 O TYR A 20 4.035 -5.506 4.639 1.00 0.00 O ATOM 329 CB TYR A 20 2.610 -7.353 2.652 1.00 0.00 C ATOM 330 CG TYR A 20 2.375 -7.935 1.278 1.00 0.00 C ATOM 331 CD1 TYR A 20 1.165 -7.700 0.615 1.00 0.00 C ATOM 332 CD2 TYR A 20 3.368 -8.713 0.670 1.00 0.00 C ATOM 333 CE1 TYR A 20 0.947 -8.242 -0.657 1.00 0.00 C ATOM 334 CE2 TYR A 20 3.151 -9.254 -0.602 1.00 0.00 C ATOM 335 CZ TYR A 20 1.941 -9.019 -1.267 1.00 0.00 C ATOM 336 OH TYR A 20 1.728 -9.552 -2.521 1.00 0.00 O ATOM 0 H TYR A 20 4.976 -6.390 2.129 1.00 0.00 H new ATOM 0 HA TYR A 20 2.205 -5.359 1.950 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.410 -7.894 3.157 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.715 -7.464 3.264 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.399 -7.100 1.085 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.301 -8.895 1.183 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.013 -8.061 -1.168 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.917 -9.853 -1.071 1.00 0.00 H new ATOM 0 HH TYR A 20 2.517 -10.063 -2.798 1.00 0.00 H new ATOM 346 N PHE A 21 2.088 -4.440 4.257 1.00 0.00 N ATOM 347 CA PHE A 21 2.069 -3.775 5.563 1.00 0.00 C ATOM 348 C PHE A 21 0.827 -4.193 6.343 1.00 0.00 C ATOM 349 O PHE A 21 -0.289 -4.137 5.828 1.00 0.00 O ATOM 350 CB PHE A 21 2.059 -2.258 5.366 1.00 0.00 C ATOM 351 CG PHE A 21 3.240 -1.852 4.516 1.00 0.00 C ATOM 352 CD1 PHE A 21 3.224 -2.113 3.143 1.00 0.00 C ATOM 353 CD2 PHE A 21 4.352 -1.222 5.097 1.00 0.00 C ATOM 354 CE1 PHE A 21 4.313 -1.745 2.346 1.00 0.00 C ATOM 355 CE2 PHE A 21 5.442 -0.853 4.298 1.00 0.00 C ATOM 356 CZ PHE A 21 5.420 -1.117 2.922 1.00 0.00 C ATOM 0 H PHE A 21 1.290 -4.222 3.661 1.00 0.00 H new ATOM 0 HA PHE A 21 2.958 -4.065 6.122 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.130 -1.949 4.887 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.103 -1.755 6.332 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.369 -2.600 2.697 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.367 -1.022 6.158 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.298 -1.946 1.285 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.298 -0.366 4.742 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.261 -0.834 2.306 1.00 0.00 H new ATOM 366 N ASP A 22 1.027 -4.614 7.587 1.00 0.00 N ATOM 367 CA ASP A 22 -0.080 -5.043 8.441 1.00 0.00 C ATOM 368 C ASP A 22 -0.475 -3.921 9.394 1.00 0.00 C ATOM 369 O ASP A 22 0.304 -3.535 10.264 1.00 0.00 O ATOM 370 CB ASP A 22 0.332 -6.273 9.248 1.00 0.00 C ATOM 371 CG ASP A 22 0.615 -7.439 8.306 1.00 0.00 C ATOM 372 OD1 ASP A 22 -0.253 -7.755 7.511 1.00 0.00 O ATOM 373 OD2 ASP A 22 1.696 -7.994 8.395 1.00 0.00 O ATOM 0 H ASP A 22 1.945 -4.668 8.029 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.932 -5.292 7.809 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.219 -6.050 9.841 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.460 -6.542 9.947 1.00 0.00 H new ATOM 378 N VAL A 23 -1.688 -3.398 9.225 1.00 0.00 N ATOM 379 CA VAL A 23 -2.174 -2.314 10.080 1.00 0.00 C ATOM 380 C VAL A 23 -3.098 -2.868 11.158 1.00 0.00 C ATOM 381 O VAL A 23 -4.205 -3.325 10.869 1.00 0.00 O ATOM 382 CB VAL A 23 -2.937 -1.294 9.236 1.00 0.00 C ATOM 383 CG1 VAL A 23 -3.352 -0.115 10.117 1.00 0.00 C ATOM 384 CG2 VAL A 23 -2.041 -0.795 8.103 1.00 0.00 C ATOM 0 H VAL A 23 -2.349 -3.703 8.510 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.319 -1.832 10.554 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.826 -1.763 8.814 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.896 0.614 9.517 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.992 -0.471 10.924 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.463 0.354 10.539 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.586 -0.068 7.502 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.151 -0.325 8.523 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.745 -1.636 7.476 1.00 0.00 H new ATOM 394 N LEU A 24 -2.635 -2.828 12.406 1.00 0.00 N ATOM 395 CA LEU A 24 -3.423 -3.332 13.530 1.00 0.00 C ATOM 396 C LEU A 24 -4.198 -2.196 14.189 1.00 0.00 C ATOM 397 O LEU A 24 -5.023 -2.424 15.075 1.00 0.00 O ATOM 398 CB LEU A 24 -2.490 -3.979 14.558 1.00 0.00 C ATOM 399 CG LEU A 24 -1.717 -5.131 13.904 1.00 0.00 C ATOM 400 CD1 LEU A 24 -0.704 -5.691 14.907 1.00 0.00 C ATOM 401 CD2 LEU A 24 -2.688 -6.245 13.468 1.00 0.00 C ATOM 0 H LEU A 24 -1.722 -2.454 12.664 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.132 -4.072 13.159 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.794 -3.237 14.949 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.068 -4.351 15.404 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.195 -4.758 13.023 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.152 -6.510 14.447 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.009 -4.904 15.200 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.230 -6.058 15.789 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.126 -7.057 13.005 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.222 -6.624 14.339 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.404 -5.844 12.750 1.00 0.00 H new ATOM 413 N GLY A 25 -3.928 -0.968 13.748 1.00 0.00 N ATOM 414 CA GLY A 25 -4.602 0.211 14.294 1.00 0.00 C ATOM 415 C GLY A 25 -5.613 0.769 13.299 1.00 0.00 C ATOM 416 O GLY A 25 -5.903 1.967 13.300 1.00 0.00 O ATOM 0 H GLY A 25 -3.249 -0.763 13.015 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.107 -0.052 15.223 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.865 0.976 14.537 1.00 0.00 H new ATOM 420 N ILE A 26 -6.153 -0.105 12.454 1.00 0.00 N ATOM 421 CA ILE A 26 -7.137 0.311 11.458 1.00 0.00 C ATOM 422 C ILE A 26 -8.534 0.324 12.068 1.00 0.00 C ATOM 423 O ILE A 26 -8.954 -0.643 12.706 1.00 0.00 O ATOM 424 CB ILE A 26 -7.111 -0.641 10.262 1.00 0.00 C ATOM 425 CG1 ILE A 26 -8.146 -0.185 9.230 1.00 0.00 C ATOM 426 CG2 ILE A 26 -7.445 -2.060 10.728 1.00 0.00 C ATOM 427 CD1 ILE A 26 -7.934 -0.949 7.921 1.00 0.00 C ATOM 0 H ILE A 26 -5.928 -1.100 12.438 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.884 1.317 11.123 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.118 -0.634 9.812 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.153 -0.362 9.607 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.054 0.887 9.056 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.426 -2.737 9.874 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.709 -2.384 11.464 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.438 -2.071 11.178 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.671 -0.624 7.187 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.932 -0.750 7.542 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.048 -2.018 8.101 1.00 0.00 H new ATOM 439 N CYS A 27 -9.253 1.428 11.869 1.00 0.00 N ATOM 440 CA CYS A 27 -10.611 1.572 12.402 1.00 0.00 C ATOM 441 C CYS A 27 -11.619 1.693 11.268 1.00 0.00 C ATOM 442 O CYS A 27 -11.444 2.501 10.356 1.00 0.00 O ATOM 443 CB CYS A 27 -10.689 2.817 13.294 1.00 0.00 C ATOM 444 SG CYS A 27 -12.422 3.301 13.535 1.00 0.00 S ATOM 0 H CYS A 27 -8.920 2.236 11.343 1.00 0.00 H new ATOM 0 HA CYS A 27 -10.849 0.686 12.991 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -10.222 2.614 14.258 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -10.134 3.637 12.838 1.00 0.00 H new ATOM 0 HG CYS A 27 -12.974 3.527 12.380 1.00 0.00 H new ATOM 449 N CYS A 28 -12.680 0.894 11.346 1.00 0.00 N ATOM 450 CA CYS A 28 -13.729 0.925 10.333 1.00 0.00 C ATOM 451 C CYS A 28 -13.128 1.032 8.932 1.00 0.00 C ATOM 452 O CYS A 28 -11.920 0.876 8.751 1.00 0.00 O ATOM 453 CB CYS A 28 -14.661 2.113 10.594 1.00 0.00 C ATOM 454 SG CYS A 28 -13.861 3.649 10.061 1.00 0.00 S ATOM 0 H CYS A 28 -12.835 0.221 12.096 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.297 -0.003 10.392 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -15.600 1.976 10.057 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -14.906 2.169 11.655 1.00 0.00 H new ATOM 0 HG CYS A 28 -12.576 3.466 9.988 1.00 0.00 H new ATOM 459 N THR A 29 -13.978 1.301 7.945 1.00 0.00 N ATOM 460 CA THR A 29 -13.522 1.437 6.562 1.00 0.00 C ATOM 461 C THR A 29 -13.446 2.911 6.175 1.00 0.00 C ATOM 462 O THR A 29 -12.918 3.258 5.119 1.00 0.00 O ATOM 463 CB THR A 29 -14.487 0.707 5.623 1.00 0.00 C ATOM 464 OG1 THR A 29 -15.606 1.542 5.355 1.00 0.00 O ATOM 465 CG2 THR A 29 -14.964 -0.590 6.281 1.00 0.00 C ATOM 0 H THR A 29 -14.982 1.429 8.074 1.00 0.00 H new ATOM 0 HA THR A 29 -12.529 0.996 6.474 1.00 0.00 H new ATOM 0 HB THR A 29 -13.975 0.471 4.690 1.00 0.00 H new ATOM 0 HG1 THR A 29 -16.224 1.077 4.753 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.650 -1.107 5.611 1.00 0.00 H new ATOM 0 HG22 THR A 29 -14.106 -1.230 6.487 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.475 -0.357 7.215 1.00 0.00 H new ATOM 473 N SER A 30 -13.974 3.774 7.037 1.00 0.00 N ATOM 474 CA SER A 30 -13.959 5.210 6.775 1.00 0.00 C ATOM 475 C SER A 30 -12.526 5.741 6.778 1.00 0.00 C ATOM 476 O SER A 30 -12.261 6.840 6.285 1.00 0.00 O ATOM 477 CB SER A 30 -14.783 5.950 7.829 1.00 0.00 C ATOM 478 OG SER A 30 -15.076 7.258 7.359 1.00 0.00 O ATOM 0 H SER A 30 -14.415 3.507 7.917 1.00 0.00 H new ATOM 0 HA SER A 30 -14.397 5.382 5.792 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.707 5.408 8.032 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.232 6.003 8.768 1.00 0.00 H new ATOM 0 HG SER A 30 -14.366 7.554 6.752 1.00 0.00 H new ATOM 484 N GLU A 31 -11.610 4.958 7.348 1.00 0.00 N ATOM 485 CA GLU A 31 -10.201 5.354 7.421 1.00 0.00 C ATOM 486 C GLU A 31 -9.467 4.940 6.146 1.00 0.00 C ATOM 487 O GLU A 31 -8.282 5.232 5.980 1.00 0.00 O ATOM 488 CB GLU A 31 -9.540 4.713 8.659 1.00 0.00 C ATOM 489 CG GLU A 31 -9.621 5.669 9.858 1.00 0.00 C ATOM 490 CD GLU A 31 -11.077 5.986 10.186 1.00 0.00 C ATOM 491 OE1 GLU A 31 -11.795 6.381 9.283 1.00 0.00 O ATOM 492 OE2 GLU A 31 -11.453 5.830 11.336 1.00 0.00 O ATOM 0 H GLU A 31 -11.815 4.050 7.764 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.141 6.438 7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.037 3.773 8.900 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.498 4.477 8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.136 5.219 10.724 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.083 6.590 9.634 1.00 0.00 H new ATOM 499 N VAL A 32 -10.178 4.279 5.243 1.00 0.00 N ATOM 500 CA VAL A 32 -9.583 3.867 3.981 1.00 0.00 C ATOM 501 C VAL A 32 -8.942 5.078 3.288 1.00 0.00 C ATOM 502 O VAL A 32 -7.753 5.051 2.973 1.00 0.00 O ATOM 503 CB VAL A 32 -10.658 3.226 3.071 1.00 0.00 C ATOM 504 CG1 VAL A 32 -10.280 3.381 1.587 1.00 0.00 C ATOM 505 CG2 VAL A 32 -10.799 1.736 3.399 1.00 0.00 C ATOM 0 H VAL A 32 -11.157 4.019 5.359 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.809 3.125 4.175 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.604 3.736 3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.050 2.923 0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.197 4.440 1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.325 2.890 1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.557 1.292 2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.845 1.235 3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.095 1.619 4.441 1.00 0.00 H new ATOM 515 N PRO A 33 -9.696 6.131 3.033 1.00 0.00 N ATOM 516 CA PRO A 33 -9.156 7.349 2.349 1.00 0.00 C ATOM 517 C PRO A 33 -8.000 7.979 3.120 1.00 0.00 C ATOM 518 O PRO A 33 -7.095 8.564 2.527 1.00 0.00 O ATOM 519 CB PRO A 33 -10.369 8.302 2.281 1.00 0.00 C ATOM 520 CG PRO A 33 -11.305 7.811 3.336 1.00 0.00 C ATOM 521 CD PRO A 33 -11.131 6.301 3.357 1.00 0.00 C ATOM 0 HA PRO A 33 -8.741 7.117 1.368 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.071 9.334 2.467 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.836 8.277 1.296 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.068 8.248 4.306 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.335 8.085 3.106 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.378 5.879 4.331 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.772 5.810 2.625 1.00 0.00 H new ATOM 529 N ILE A 34 -8.042 7.864 4.439 1.00 0.00 N ATOM 530 CA ILE A 34 -6.991 8.434 5.271 1.00 0.00 C ATOM 531 C ILE A 34 -5.659 7.747 4.994 1.00 0.00 C ATOM 532 O ILE A 34 -4.624 8.399 4.886 1.00 0.00 O ATOM 533 CB ILE A 34 -7.359 8.281 6.754 1.00 0.00 C ATOM 534 CG1 ILE A 34 -8.597 9.148 7.082 1.00 0.00 C ATOM 535 CG2 ILE A 34 -6.169 8.703 7.630 1.00 0.00 C ATOM 536 CD1 ILE A 34 -8.202 10.602 7.384 1.00 0.00 C ATOM 0 H ILE A 34 -8.783 7.387 4.952 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.893 9.493 5.032 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.597 7.237 6.959 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.291 9.125 6.242 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.121 8.726 7.940 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.434 8.593 8.682 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.309 8.072 7.405 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.918 9.744 7.426 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.096 11.183 7.610 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.528 10.626 8.240 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.701 11.031 6.516 1.00 0.00 H new ATOM 548 N ILE A 35 -5.689 6.425 4.886 1.00 0.00 N ATOM 549 CA ILE A 35 -4.474 5.665 4.627 1.00 0.00 C ATOM 550 C ILE A 35 -3.892 6.039 3.269 1.00 0.00 C ATOM 551 O ILE A 35 -2.685 6.222 3.133 1.00 0.00 O ATOM 552 CB ILE A 35 -4.788 4.167 4.658 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.179 3.761 6.082 1.00 0.00 C ATOM 554 CG2 ILE A 35 -3.550 3.375 4.230 1.00 0.00 C ATOM 555 CD1 ILE A 35 -5.822 2.374 6.059 1.00 0.00 C ATOM 0 H ILE A 35 -6.534 5.861 4.973 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.741 5.900 5.399 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.610 3.954 3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.298 3.755 6.724 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.874 4.489 6.501 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.775 2.309 4.252 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.265 3.665 3.219 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.728 3.587 4.914 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.100 2.085 7.073 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.712 2.396 5.431 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.112 1.651 5.657 1.00 0.00 H new ATOM 567 N GLU A 36 -4.758 6.149 2.270 1.00 0.00 N ATOM 568 CA GLU A 36 -4.315 6.494 0.924 1.00 0.00 C ATOM 569 C GLU A 36 -3.673 7.876 0.907 1.00 0.00 C ATOM 570 O GLU A 36 -2.752 8.134 0.131 1.00 0.00 O ATOM 571 CB GLU A 36 -5.507 6.473 -0.034 1.00 0.00 C ATOM 572 CG GLU A 36 -6.063 5.051 -0.124 1.00 0.00 C ATOM 573 CD GLU A 36 -7.268 5.022 -1.056 1.00 0.00 C ATOM 574 OE1 GLU A 36 -7.604 6.065 -1.592 1.00 0.00 O ATOM 575 OE2 GLU A 36 -7.838 3.956 -1.222 1.00 0.00 O ATOM 0 H GLU A 36 -5.764 6.006 2.364 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.575 5.760 0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.281 7.156 0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.200 6.818 -1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.293 4.373 -0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.351 4.701 0.867 1.00 0.00 H new ATOM 582 N ASN A 37 -4.168 8.763 1.762 1.00 0.00 N ATOM 583 CA ASN A 37 -3.637 10.119 1.834 1.00 0.00 C ATOM 584 C ASN A 37 -2.162 10.098 2.225 1.00 0.00 C ATOM 585 O ASN A 37 -1.361 10.875 1.704 1.00 0.00 O ATOM 586 CB ASN A 37 -4.424 10.936 2.860 1.00 0.00 C ATOM 587 CG ASN A 37 -3.879 12.360 2.924 1.00 0.00 C ATOM 588 OD1 ASN A 37 -2.969 12.712 2.175 1.00 0.00 O ATOM 589 ND2 ASN A 37 -4.383 13.201 3.786 1.00 0.00 N ATOM 0 H ASN A 37 -4.931 8.570 2.411 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.735 10.578 0.850 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.480 10.954 2.590 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.354 10.467 3.841 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.022 14.154 3.840 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.138 12.906 4.405 1.00 0.00 H new ATOM 596 N ILE A 38 -1.809 9.214 3.154 1.00 0.00 N ATOM 597 CA ILE A 38 -0.427 9.112 3.613 1.00 0.00 C ATOM 598 C ILE A 38 0.488 8.696 2.467 1.00 0.00 C ATOM 599 O ILE A 38 1.553 9.275 2.271 1.00 0.00 O ATOM 600 CB ILE A 38 -0.329 8.087 4.741 1.00 0.00 C ATOM 601 CG1 ILE A 38 -1.365 8.408 5.828 1.00 0.00 C ATOM 602 CG2 ILE A 38 1.078 8.113 5.338 1.00 0.00 C ATOM 603 CD1 ILE A 38 -1.211 9.856 6.311 1.00 0.00 C ATOM 0 H ILE A 38 -2.455 8.563 3.601 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.112 10.089 3.979 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.530 7.093 4.342 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.370 8.255 5.436 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.243 7.724 6.668 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.145 7.381 6.143 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.806 7.870 4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.287 9.107 5.733 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.954 10.064 7.081 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.212 9.998 6.723 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.357 10.537 5.472 1.00 0.00 H new ATOM 615 N LEU A 39 0.061 7.694 1.708 1.00 0.00 N ATOM 616 CA LEU A 39 0.852 7.218 0.576 1.00 0.00 C ATOM 617 C LEU A 39 0.993 8.320 -0.469 1.00 0.00 C ATOM 618 O LEU A 39 2.039 8.460 -1.101 1.00 0.00 O ATOM 619 CB LEU A 39 0.189 5.981 -0.051 1.00 0.00 C ATOM 620 CG LEU A 39 0.604 4.723 0.720 1.00 0.00 C ATOM 621 CD1 LEU A 39 0.274 4.895 2.201 1.00 0.00 C ATOM 622 CD2 LEU A 39 -0.156 3.518 0.165 1.00 0.00 C ATOM 0 H LEU A 39 -0.819 7.199 1.852 1.00 0.00 H new ATOM 0 HA LEU A 39 1.844 6.943 0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.895 6.089 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.482 5.891 -1.097 1.00 0.00 H new ATOM 0 HG LEU A 39 1.676 4.565 0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.570 3.999 2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.814 5.755 2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.798 5.054 2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.136 2.621 0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.228 3.680 0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.081 3.393 -0.892 1.00 0.00 H new ATOM 634 N LYS A 40 -0.070 9.091 -0.655 1.00 0.00 N ATOM 635 CA LYS A 40 -0.054 10.165 -1.636 1.00 0.00 C ATOM 636 C LYS A 40 1.080 11.143 -1.337 1.00 0.00 C ATOM 637 O LYS A 40 1.760 11.614 -2.247 1.00 0.00 O ATOM 638 CB LYS A 40 -1.390 10.915 -1.607 1.00 0.00 C ATOM 639 CG LYS A 40 -1.490 11.877 -2.808 1.00 0.00 C ATOM 640 CD LYS A 40 -2.082 11.144 -4.018 1.00 0.00 C ATOM 641 CE LYS A 40 -2.133 12.094 -5.214 1.00 0.00 C ATOM 642 NZ LYS A 40 -3.035 13.237 -4.897 1.00 0.00 N ATOM 0 H LYS A 40 -0.947 8.993 -0.144 1.00 0.00 H new ATOM 0 HA LYS A 40 0.102 9.730 -2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.215 10.203 -1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.481 11.474 -0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.114 12.732 -2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.503 12.267 -3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.477 10.270 -4.259 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.083 10.783 -3.784 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.132 12.459 -5.446 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.493 11.566 -6.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.343 13.692 -5.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.867 12.889 -4.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.526 13.929 -4.311 1.00 0.00 H new ATOM 656 N SER A 41 1.275 11.448 -0.057 1.00 0.00 N ATOM 657 CA SER A 41 2.331 12.375 0.337 1.00 0.00 C ATOM 658 C SER A 41 3.702 11.803 -0.008 1.00 0.00 C ATOM 659 O SER A 41 4.629 12.542 -0.341 1.00 0.00 O ATOM 660 CB SER A 41 2.254 12.651 1.837 1.00 0.00 C ATOM 661 OG SER A 41 2.449 11.436 2.549 1.00 0.00 O ATOM 0 H SER A 41 0.724 11.073 0.715 1.00 0.00 H new ATOM 0 HA SER A 41 2.191 13.308 -0.209 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.012 13.380 2.124 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.286 13.083 2.090 1.00 0.00 H new ATOM 0 HG SER A 41 1.628 10.903 2.517 1.00 0.00 H new ATOM 667 N LEU A 42 3.823 10.482 0.076 1.00 0.00 N ATOM 668 CA LEU A 42 5.085 9.820 -0.226 1.00 0.00 C ATOM 669 C LEU A 42 5.327 9.786 -1.728 1.00 0.00 C ATOM 670 O LEU A 42 4.389 9.673 -2.517 1.00 0.00 O ATOM 671 CB LEU A 42 5.064 8.392 0.319 1.00 0.00 C ATOM 672 CG LEU A 42 4.788 8.414 1.826 1.00 0.00 C ATOM 673 CD1 LEU A 42 4.711 6.975 2.342 1.00 0.00 C ATOM 674 CD2 LEU A 42 5.909 9.171 2.557 1.00 0.00 C ATOM 0 H LEU A 42 3.068 9.853 0.349 1.00 0.00 H new ATOM 0 HA LEU A 42 5.891 10.381 0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.297 7.810 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.019 7.904 0.122 1.00 0.00 H new ATOM 0 HG LEU A 42 3.843 8.923 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.515 6.983 3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.906 6.447 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.657 6.469 2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.703 9.181 3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.862 8.674 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.957 10.195 2.187 1.00 0.00 H new ATOM 686 N ASP A 43 6.597 9.881 -2.118 1.00 0.00 N ATOM 687 CA ASP A 43 6.966 9.858 -3.533 1.00 0.00 C ATOM 688 C ASP A 43 7.499 8.483 -3.917 1.00 0.00 C ATOM 689 O ASP A 43 8.061 7.767 -3.087 1.00 0.00 O ATOM 690 CB ASP A 43 8.038 10.913 -3.809 1.00 0.00 C ATOM 691 CG ASP A 43 8.305 11.000 -5.308 1.00 0.00 C ATOM 692 OD1 ASP A 43 7.515 10.456 -6.063 1.00 0.00 O ATOM 693 OD2 ASP A 43 9.294 11.609 -5.680 1.00 0.00 O ATOM 0 H ASP A 43 7.385 9.974 -1.477 1.00 0.00 H new ATOM 0 HA ASP A 43 6.079 10.077 -4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.713 11.882 -3.432 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.957 10.658 -3.281 1.00 0.00 H new ATOM 698 N GLY A 44 7.319 8.118 -5.183 1.00 0.00 N ATOM 699 CA GLY A 44 7.779 6.825 -5.686 1.00 0.00 C ATOM 700 C GLY A 44 6.628 5.826 -5.745 1.00 0.00 C ATOM 701 O GLY A 44 6.662 4.873 -6.523 1.00 0.00 O ATOM 0 H GLY A 44 6.857 8.700 -5.882 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.210 6.949 -6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.569 6.439 -5.041 1.00 0.00 H new ATOM 705 N VAL A 45 5.606 6.052 -4.924 1.00 0.00 N ATOM 706 CA VAL A 45 4.451 5.161 -4.903 1.00 0.00 C ATOM 707 C VAL A 45 3.667 5.274 -6.207 1.00 0.00 C ATOM 708 O VAL A 45 3.391 6.375 -6.685 1.00 0.00 O ATOM 709 CB VAL A 45 3.539 5.511 -3.727 1.00 0.00 C ATOM 710 CG1 VAL A 45 4.362 5.554 -2.440 1.00 0.00 C ATOM 711 CG2 VAL A 45 2.900 6.882 -3.966 1.00 0.00 C ATOM 0 H VAL A 45 5.554 6.835 -4.272 1.00 0.00 H new ATOM 0 HA VAL A 45 4.808 4.137 -4.791 1.00 0.00 H new ATOM 0 HB VAL A 45 2.758 4.756 -3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.713 5.804 -1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.819 4.580 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.142 6.310 -2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.250 7.131 -3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.681 7.637 -4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.314 6.855 -4.884 1.00 0.00 H new ATOM 721 N LYS A 46 3.313 4.129 -6.782 1.00 0.00 N ATOM 722 CA LYS A 46 2.557 4.100 -8.033 1.00 0.00 C ATOM 723 C LYS A 46 1.078 3.855 -7.769 1.00 0.00 C ATOM 724 O LYS A 46 0.226 4.634 -8.195 1.00 0.00 O ATOM 725 CB LYS A 46 3.109 2.992 -8.933 1.00 0.00 C ATOM 726 CG LYS A 46 4.529 3.335 -9.401 1.00 0.00 C ATOM 727 CD LYS A 46 4.497 4.502 -10.401 1.00 0.00 C ATOM 728 CE LYS A 46 5.803 4.530 -11.196 1.00 0.00 C ATOM 729 NZ LYS A 46 5.746 5.636 -12.191 1.00 0.00 N ATOM 0 H LYS A 46 3.536 3.209 -6.403 1.00 0.00 H new ATOM 0 HA LYS A 46 2.662 5.067 -8.526 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.117 2.046 -8.391 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.458 2.859 -9.797 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.147 3.600 -8.543 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.986 2.462 -9.866 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.650 4.392 -11.078 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.361 5.445 -9.871 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.649 4.673 -10.524 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.955 3.577 -11.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.632 5.660 -12.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.947 5.480 -12.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.619 6.542 -11.696 1.00 0.00 H new ATOM 743 N GLU A 47 0.778 2.768 -7.068 1.00 0.00 N ATOM 744 CA GLU A 47 -0.609 2.431 -6.759 1.00 0.00 C ATOM 745 C GLU A 47 -0.694 1.651 -5.452 1.00 0.00 C ATOM 746 O GLU A 47 0.298 1.097 -4.981 1.00 0.00 O ATOM 747 CB GLU A 47 -1.210 1.598 -7.892 1.00 0.00 C ATOM 748 CG GLU A 47 -0.234 0.487 -8.280 1.00 0.00 C ATOM 749 CD GLU A 47 -0.885 -0.445 -9.297 1.00 0.00 C ATOM 750 OE1 GLU A 47 -2.088 -0.626 -9.219 1.00 0.00 O ATOM 751 OE2 GLU A 47 -0.170 -0.960 -10.140 1.00 0.00 O ATOM 0 H GLU A 47 1.468 2.110 -6.705 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.172 3.358 -6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.161 1.168 -7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.417 2.232 -8.754 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.674 0.919 -8.699 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.060 -0.076 -7.394 1.00 0.00 H new ATOM 758 N TYR A 48 -1.889 1.616 -4.878 1.00 0.00 N ATOM 759 CA TYR A 48 -2.111 0.905 -3.627 1.00 0.00 C ATOM 760 C TYR A 48 -3.585 0.567 -3.452 1.00 0.00 C ATOM 761 O TYR A 48 -4.453 1.176 -4.076 1.00 0.00 O ATOM 762 CB TYR A 48 -1.622 1.755 -2.448 1.00 0.00 C ATOM 763 CG TYR A 48 -2.044 3.192 -2.661 1.00 0.00 C ATOM 764 CD1 TYR A 48 -3.389 3.557 -2.533 1.00 0.00 C ATOM 765 CD2 TYR A 48 -1.086 4.158 -3.000 1.00 0.00 C ATOM 766 CE1 TYR A 48 -3.777 4.887 -2.742 1.00 0.00 C ATOM 767 CE2 TYR A 48 -1.474 5.488 -3.206 1.00 0.00 C ATOM 768 CZ TYR A 48 -2.820 5.851 -3.077 1.00 0.00 C ATOM 769 OH TYR A 48 -3.204 7.160 -3.283 1.00 0.00 O ATOM 0 H TYR A 48 -2.719 2.071 -5.259 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.547 -0.027 -3.655 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.038 1.376 -1.514 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.537 1.691 -2.363 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.128 2.813 -2.273 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.048 3.876 -3.102 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.815 5.168 -2.644 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.736 6.233 -3.464 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.418 7.700 -3.507 1.00 0.00 H new ATOM 779 N SER A 49 -3.859 -0.415 -2.597 1.00 0.00 N ATOM 780 CA SER A 49 -5.233 -0.839 -2.334 1.00 0.00 C ATOM 781 C SER A 49 -5.397 -1.210 -0.864 1.00 0.00 C ATOM 782 O SER A 49 -4.571 -1.926 -0.300 1.00 0.00 O ATOM 783 CB SER A 49 -5.578 -2.043 -3.215 1.00 0.00 C ATOM 784 OG SER A 49 -6.991 -2.157 -3.319 1.00 0.00 O ATOM 0 H SER A 49 -3.151 -0.931 -2.075 1.00 0.00 H new ATOM 0 HA SER A 49 -5.909 -0.016 -2.566 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.137 -1.923 -4.205 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.158 -2.954 -2.788 1.00 0.00 H new ATOM 0 HG SER A 49 -7.217 -2.926 -3.884 1.00 0.00 H new ATOM 790 N VAL A 50 -6.471 -0.726 -0.249 1.00 0.00 N ATOM 791 CA VAL A 50 -6.739 -1.019 1.157 1.00 0.00 C ATOM 792 C VAL A 50 -7.778 -2.126 1.267 1.00 0.00 C ATOM 793 O VAL A 50 -8.937 -1.940 0.893 1.00 0.00 O ATOM 794 CB VAL A 50 -7.257 0.236 1.857 1.00 0.00 C ATOM 795 CG1 VAL A 50 -7.253 0.014 3.370 1.00 0.00 C ATOM 796 CG2 VAL A 50 -6.353 1.422 1.512 1.00 0.00 C ATOM 0 H VAL A 50 -7.168 -0.132 -0.698 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.814 -1.344 1.633 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.273 0.445 1.524 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.623 0.909 3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.897 -0.831 3.616 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.237 -0.195 3.704 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.722 2.318 2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.336 1.214 1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.356 1.580 0.434 1.00 0.00 H new ATOM 806 N ILE A 51 -7.362 -3.283 1.785 1.00 0.00 N ATOM 807 CA ILE A 51 -8.273 -4.416 1.937 1.00 0.00 C ATOM 808 C ILE A 51 -8.595 -4.631 3.412 1.00 0.00 C ATOM 809 O ILE A 51 -7.808 -5.223 4.151 1.00 0.00 O ATOM 810 CB ILE A 51 -7.622 -5.678 1.363 1.00 0.00 C ATOM 811 CG1 ILE A 51 -7.218 -5.429 -0.092 1.00 0.00 C ATOM 812 CG2 ILE A 51 -8.620 -6.834 1.404 1.00 0.00 C ATOM 813 CD1 ILE A 51 -6.359 -6.594 -0.587 1.00 0.00 C ATOM 0 H ILE A 51 -6.409 -3.458 2.103 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.197 -4.206 1.398 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.742 -5.927 1.956 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.106 -5.327 -0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.663 -4.494 -0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.155 -7.731 0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.920 -7.019 2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.498 -6.578 0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.070 -6.419 -1.623 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.464 -6.674 0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.930 -7.520 -0.521 1.00 0.00 H new ATOM 825 N VAL A 52 -9.760 -4.151 3.829 1.00 0.00 N ATOM 826 CA VAL A 52 -10.192 -4.296 5.216 1.00 0.00 C ATOM 827 C VAL A 52 -10.647 -5.734 5.491 1.00 0.00 C ATOM 828 O VAL A 52 -10.381 -6.277 6.563 1.00 0.00 O ATOM 829 CB VAL A 52 -11.347 -3.314 5.526 1.00 0.00 C ATOM 830 CG1 VAL A 52 -11.274 -2.852 6.986 1.00 0.00 C ATOM 831 CG2 VAL A 52 -11.246 -2.097 4.601 1.00 0.00 C ATOM 0 H VAL A 52 -10.422 -3.659 3.229 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.345 -4.065 5.862 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.297 -3.823 5.362 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.092 -2.162 7.191 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.355 -3.716 7.646 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.323 -2.349 7.161 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.060 -1.405 4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.291 -1.596 4.761 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.315 -2.422 3.563 1.00 0.00 H new ATOM 841 N PRO A 53 -11.339 -6.346 4.558 1.00 0.00 N ATOM 842 CA PRO A 53 -11.855 -7.739 4.723 1.00 0.00 C ATOM 843 C PRO A 53 -10.745 -8.727 5.083 1.00 0.00 C ATOM 844 O PRO A 53 -10.966 -9.680 5.832 1.00 0.00 O ATOM 845 CB PRO A 53 -12.474 -8.068 3.352 1.00 0.00 C ATOM 846 CG PRO A 53 -12.791 -6.741 2.742 1.00 0.00 C ATOM 847 CD PRO A 53 -11.707 -5.790 3.238 1.00 0.00 C ATOM 0 HA PRO A 53 -12.571 -7.816 5.541 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.779 -8.632 2.730 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.371 -8.677 3.460 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.792 -6.800 1.654 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.781 -6.398 3.043 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.854 -5.766 2.560 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.077 -4.768 3.322 1.00 0.00 H new ATOM 855 N SER A 54 -9.552 -8.493 4.540 1.00 0.00 N ATOM 856 CA SER A 54 -8.399 -9.362 4.796 1.00 0.00 C ATOM 857 C SER A 54 -7.387 -8.662 5.699 1.00 0.00 C ATOM 858 O SER A 54 -6.329 -9.210 6.004 1.00 0.00 O ATOM 859 CB SER A 54 -7.731 -9.734 3.474 1.00 0.00 C ATOM 860 OG SER A 54 -6.852 -10.831 3.685 1.00 0.00 O ATOM 0 H SER A 54 -9.356 -7.708 3.919 1.00 0.00 H new ATOM 0 HA SER A 54 -8.750 -10.264 5.297 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.486 -9.995 2.733 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.179 -8.881 3.080 1.00 0.00 H new ATOM 0 HG SER A 54 -6.418 -10.739 4.559 1.00 0.00 H new ATOM 866 N ARG A 55 -7.723 -7.450 6.128 1.00 0.00 N ATOM 867 CA ARG A 55 -6.836 -6.687 6.999 1.00 0.00 C ATOM 868 C ARG A 55 -5.415 -6.676 6.450 1.00 0.00 C ATOM 869 O ARG A 55 -4.446 -6.753 7.205 1.00 0.00 O ATOM 870 CB ARG A 55 -6.830 -7.301 8.401 1.00 0.00 C ATOM 871 CG ARG A 55 -8.196 -7.097 9.054 1.00 0.00 C ATOM 872 CD ARG A 55 -8.200 -7.753 10.436 1.00 0.00 C ATOM 873 NE ARG A 55 -9.501 -7.577 11.072 1.00 0.00 N ATOM 874 CZ ARG A 55 -9.755 -8.094 12.269 1.00 0.00 C ATOM 875 NH1 ARG A 55 -8.832 -8.768 12.900 1.00 0.00 N ATOM 876 NH2 ARG A 55 -10.928 -7.926 12.816 1.00 0.00 N ATOM 0 H ARG A 55 -8.595 -6.978 5.889 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.203 -5.662 7.045 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.599 -8.365 8.343 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.052 -6.838 9.009 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.414 -6.033 9.144 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.978 -7.531 8.431 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.973 -8.815 10.343 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.420 -7.313 11.058 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.228 -7.048 10.590 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.914 -8.898 12.474 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.028 -9.164 13.819 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.649 -7.398 12.324 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.124 -8.323 13.735 1.00 0.00 H new ATOM 890 N THR A 56 -5.299 -6.581 5.129 1.00 0.00 N ATOM 891 CA THR A 56 -3.990 -6.559 4.471 1.00 0.00 C ATOM 892 C THR A 56 -3.868 -5.335 3.576 1.00 0.00 C ATOM 893 O THR A 56 -4.762 -5.038 2.785 1.00 0.00 O ATOM 894 CB THR A 56 -3.809 -7.821 3.630 1.00 0.00 C ATOM 895 OG1 THR A 56 -3.929 -8.965 4.463 1.00 0.00 O ATOM 896 CG2 THR A 56 -2.427 -7.807 2.974 1.00 0.00 C ATOM 0 H THR A 56 -6.092 -6.518 4.491 1.00 0.00 H new ATOM 0 HA THR A 56 -3.217 -6.518 5.239 1.00 0.00 H new ATOM 0 HB THR A 56 -4.575 -7.854 2.855 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.838 -9.012 4.826 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.300 -8.708 2.374 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.337 -6.929 2.334 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.658 -7.773 3.746 1.00 0.00 H new ATOM 904 N VAL A 57 -2.751 -4.626 3.702 1.00 0.00 N ATOM 905 CA VAL A 57 -2.511 -3.428 2.896 1.00 0.00 C ATOM 906 C VAL A 57 -1.433 -3.702 1.859 1.00 0.00 C ATOM 907 O VAL A 57 -0.355 -4.201 2.185 1.00 0.00 O ATOM 908 CB VAL A 57 -2.065 -2.274 3.797 1.00 0.00 C ATOM 909 CG1 VAL A 57 -1.765 -1.041 2.941 1.00 0.00 C ATOM 910 CG2 VAL A 57 -3.182 -1.947 4.790 1.00 0.00 C ATOM 0 H VAL A 57 -1.999 -4.857 4.351 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.437 -3.157 2.389 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.166 -2.563 4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.448 -0.220 3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.971 -1.275 2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.663 -0.749 2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.868 -1.125 5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.080 -1.658 4.245 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.395 -2.825 5.400 1.00 0.00 H new ATOM 920 N ILE A 58 -1.733 -3.376 0.604 1.00 0.00 N ATOM 921 CA ILE A 58 -0.789 -3.587 -0.495 1.00 0.00 C ATOM 922 C ILE A 58 -0.472 -2.267 -1.182 1.00 0.00 C ATOM 923 O ILE A 58 -1.369 -1.491 -1.510 1.00 0.00 O ATOM 924 CB ILE A 58 -1.383 -4.561 -1.514 1.00 0.00 C ATOM 925 CG1 ILE A 58 -0.361 -4.825 -2.622 1.00 0.00 C ATOM 926 CG2 ILE A 58 -2.653 -3.965 -2.124 1.00 0.00 C ATOM 927 CD1 ILE A 58 -0.922 -5.864 -3.591 1.00 0.00 C ATOM 0 H ILE A 58 -2.622 -2.964 0.321 1.00 0.00 H new ATOM 0 HA ILE A 58 0.131 -4.005 -0.086 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.631 -5.497 -1.013 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.136 -3.900 -3.153 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.575 -5.181 -2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.071 -4.664 -2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.383 -3.780 -1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.411 -3.026 -2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.196 -6.054 -4.381 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.124 -6.791 -3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.847 -5.490 -4.030 1.00 0.00 H new ATOM 939 N VAL A 59 0.816 -2.021 -1.394 1.00 0.00 N ATOM 940 CA VAL A 59 1.264 -0.792 -2.049 1.00 0.00 C ATOM 941 C VAL A 59 2.454 -1.078 -2.956 1.00 0.00 C ATOM 942 O VAL A 59 3.396 -1.763 -2.563 1.00 0.00 O ATOM 943 CB VAL A 59 1.649 0.251 -0.993 1.00 0.00 C ATOM 944 CG1 VAL A 59 2.616 -0.372 0.011 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.321 1.455 -1.667 1.00 0.00 C ATOM 0 H VAL A 59 1.569 -2.653 -1.123 1.00 0.00 H new ATOM 0 HA VAL A 59 0.448 -0.401 -2.657 1.00 0.00 H new ATOM 0 HB VAL A 59 0.749 0.584 -0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.889 0.370 0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.137 -1.222 0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.513 -0.710 -0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.591 2.191 -0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.219 1.125 -2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.631 1.905 -2.380 1.00 0.00 H new ATOM 955 N VAL A 60 2.407 -0.534 -4.171 1.00 0.00 N ATOM 956 CA VAL A 60 3.492 -0.720 -5.133 1.00 0.00 C ATOM 957 C VAL A 60 4.329 0.549 -5.211 1.00 0.00 C ATOM 958 O VAL A 60 3.809 1.638 -5.460 1.00 0.00 O ATOM 959 CB VAL A 60 2.920 -1.043 -6.512 1.00 0.00 C ATOM 960 CG1 VAL A 60 4.041 -1.544 -7.425 1.00 0.00 C ATOM 961 CG2 VAL A 60 1.846 -2.126 -6.381 1.00 0.00 C ATOM 0 H VAL A 60 1.633 0.037 -4.512 1.00 0.00 H new ATOM 0 HA VAL A 60 4.119 -1.549 -4.805 1.00 0.00 H new ATOM 0 HB VAL A 60 2.477 -0.144 -6.940 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.633 -1.775 -8.409 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.805 -0.772 -7.521 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.485 -2.443 -6.997 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.439 -2.355 -7.366 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.287 -3.026 -5.952 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.046 -1.769 -5.732 1.00 0.00 H new ATOM 971 N HIS A 61 5.626 0.402 -4.982 1.00 0.00 N ATOM 972 CA HIS A 61 6.540 1.537 -5.012 1.00 0.00 C ATOM 973 C HIS A 61 7.959 1.077 -5.330 1.00 0.00 C ATOM 974 O HIS A 61 8.314 -0.078 -5.094 1.00 0.00 O ATOM 975 CB HIS A 61 6.519 2.248 -3.654 1.00 0.00 C ATOM 976 CG HIS A 61 7.187 1.380 -2.619 1.00 0.00 C ATOM 977 ND1 HIS A 61 8.491 1.593 -2.202 1.00 0.00 N ATOM 978 CD2 HIS A 61 6.739 0.295 -1.909 1.00 0.00 C ATOM 979 CE1 HIS A 61 8.780 0.657 -1.279 1.00 0.00 C ATOM 980 NE2 HIS A 61 7.746 -0.159 -1.061 1.00 0.00 N ATOM 0 H HIS A 61 6.070 -0.492 -4.773 1.00 0.00 H new ATOM 0 HA HIS A 61 6.216 2.226 -5.792 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.033 3.207 -3.726 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.491 2.459 -3.358 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.755 -0.141 -1.995 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.732 0.576 -0.776 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.703 -0.945 -0.413 1.00 0.00 H new ATOM 989 N ASP A 62 8.766 1.991 -5.853 1.00 0.00 N ATOM 990 CA ASP A 62 10.148 1.673 -6.190 1.00 0.00 C ATOM 991 C ASP A 62 11.019 1.725 -4.943 1.00 0.00 C ATOM 992 O ASP A 62 11.130 2.762 -4.291 1.00 0.00 O ATOM 993 CB ASP A 62 10.676 2.668 -7.222 1.00 0.00 C ATOM 994 CG ASP A 62 11.955 2.132 -7.863 1.00 0.00 C ATOM 995 OD1 ASP A 62 12.449 1.120 -7.395 1.00 0.00 O ATOM 996 OD2 ASP A 62 12.417 2.741 -8.813 1.00 0.00 O ATOM 0 H ASP A 62 8.490 2.953 -6.052 1.00 0.00 H new ATOM 0 HA ASP A 62 10.182 0.667 -6.608 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.921 2.843 -7.989 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.874 3.628 -6.745 1.00 0.00 H new ATOM 1001 N SER A 63 11.629 0.595 -4.613 1.00 0.00 N ATOM 1002 CA SER A 63 12.484 0.517 -3.438 1.00 0.00 C ATOM 1003 C SER A 63 13.597 1.554 -3.526 1.00 0.00 C ATOM 1004 O SER A 63 14.080 2.046 -2.505 1.00 0.00 O ATOM 1005 CB SER A 63 13.089 -0.882 -3.330 1.00 0.00 C ATOM 1006 OG SER A 63 13.977 -1.097 -4.418 1.00 0.00 O ATOM 0 H SER A 63 11.548 -0.275 -5.139 1.00 0.00 H new ATOM 0 HA SER A 63 11.883 0.719 -2.552 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.622 -0.988 -2.385 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.299 -1.633 -3.337 1.00 0.00 H new ATOM 0 HG SER A 63 14.367 -1.993 -4.349 1.00 0.00 H new ATOM 1012 N LEU A 64 14.008 1.878 -4.747 1.00 0.00 N ATOM 1013 CA LEU A 64 15.069 2.857 -4.939 1.00 0.00 C ATOM 1014 C LEU A 64 14.603 4.251 -4.520 1.00 0.00 C ATOM 1015 O LEU A 64 15.262 4.922 -3.728 1.00 0.00 O ATOM 1016 CB LEU A 64 15.493 2.885 -6.414 1.00 0.00 C ATOM 1017 CG LEU A 64 16.646 3.882 -6.623 1.00 0.00 C ATOM 1018 CD1 LEU A 64 17.876 3.452 -5.807 1.00 0.00 C ATOM 1019 CD2 LEU A 64 17.003 3.927 -8.115 1.00 0.00 C ATOM 0 H LEU A 64 13.628 1.483 -5.607 1.00 0.00 H new ATOM 0 HA LEU A 64 15.917 2.568 -4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 64 15.804 1.889 -6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.644 3.165 -7.038 1.00 0.00 H new ATOM 0 HG LEU A 64 16.334 4.871 -6.287 1.00 0.00 H new ATOM 0 HD11 LEU A 64 18.685 4.166 -5.964 1.00 0.00 H new ATOM 0 HD12 LEU A 64 17.618 3.423 -4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 64 18.199 2.462 -6.129 1.00 0.00 H new ATOM 0 HD21 LEU A 64 17.820 4.631 -8.273 1.00 0.00 H new ATOM 0 HD22 LEU A 64 17.311 2.935 -8.446 1.00 0.00 H new ATOM 0 HD23 LEU A 64 16.133 4.247 -8.688 1.00 0.00 H new ATOM 1031 N LEU A 65 13.472 4.685 -5.073 1.00 0.00 N ATOM 1032 CA LEU A 65 12.941 6.007 -4.759 1.00 0.00 C ATOM 1033 C LEU A 65 12.512 6.085 -3.302 1.00 0.00 C ATOM 1034 O LEU A 65 12.789 7.065 -2.611 1.00 0.00 O ATOM 1035 CB LEU A 65 11.741 6.308 -5.659 1.00 0.00 C ATOM 1036 CG LEU A 65 12.189 6.331 -7.128 1.00 0.00 C ATOM 1037 CD1 LEU A 65 10.957 6.441 -8.031 1.00 0.00 C ATOM 1038 CD2 LEU A 65 13.128 7.522 -7.385 1.00 0.00 C ATOM 0 H LEU A 65 12.912 4.146 -5.734 1.00 0.00 H new ATOM 0 HA LEU A 65 13.726 6.743 -4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.968 5.553 -5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.302 7.268 -5.387 1.00 0.00 H new ATOM 0 HG LEU A 65 12.728 5.410 -7.349 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.271 6.458 -9.075 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.304 5.584 -7.862 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.417 7.359 -7.800 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.436 7.523 -8.431 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.606 8.452 -7.159 1.00 0.00 H new ATOM 0 HD23 LEU A 65 14.008 7.436 -6.748 1.00 0.00 H new ATOM 1050 N ILE A 66 11.830 5.043 -2.841 1.00 0.00 N ATOM 1051 CA ILE A 66 11.360 4.994 -1.457 1.00 0.00 C ATOM 1052 C ILE A 66 11.342 3.558 -0.961 1.00 0.00 C ATOM 1053 O ILE A 66 10.899 2.652 -1.666 1.00 0.00 O ATOM 1054 CB ILE A 66 9.958 5.593 -1.363 1.00 0.00 C ATOM 1055 CG1 ILE A 66 9.519 5.606 0.103 1.00 0.00 C ATOM 1056 CG2 ILE A 66 8.975 4.756 -2.192 1.00 0.00 C ATOM 1057 CD1 ILE A 66 8.221 6.401 0.236 1.00 0.00 C ATOM 0 H ILE A 66 11.590 4.224 -3.400 1.00 0.00 H new ATOM 0 HA ILE A 66 12.040 5.574 -0.833 1.00 0.00 H new ATOM 0 HB ILE A 66 9.969 6.611 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.372 4.586 0.459 1.00 0.00 H new ATOM 0 HG13 ILE A 66 10.297 6.052 0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.977 5.189 -2.120 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.293 4.748 -3.235 1.00 0.00 H new ATOM 0 HG23 ILE A 66 8.955 3.735 -1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.906 6.412 1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.384 7.424 -0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.445 5.936 -0.372 1.00 0.00 H new ATOM 1069 N SER A 67 11.836 3.348 0.258 1.00 0.00 N ATOM 1070 CA SER A 67 11.878 2.006 0.833 1.00 0.00 C ATOM 1071 C SER A 67 10.629 1.740 1.688 1.00 0.00 C ATOM 1072 O SER A 67 9.941 2.676 2.097 1.00 0.00 O ATOM 1073 CB SER A 67 13.152 1.841 1.689 1.00 0.00 C ATOM 1074 OG SER A 67 13.680 3.127 1.989 1.00 0.00 O ATOM 0 H SER A 67 12.209 4.082 0.861 1.00 0.00 H new ATOM 0 HA SER A 67 11.896 1.281 0.019 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.920 1.306 2.610 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.891 1.247 1.152 1.00 0.00 H new ATOM 0 HG SER A 67 14.489 3.030 2.534 1.00 0.00 H new ATOM 1080 N PRO A 68 10.336 0.490 1.975 1.00 0.00 N ATOM 1081 CA PRO A 68 9.155 0.113 2.814 1.00 0.00 C ATOM 1082 C PRO A 68 9.165 0.809 4.176 1.00 0.00 C ATOM 1083 O PRO A 68 8.113 1.129 4.731 1.00 0.00 O ATOM 1084 CB PRO A 68 9.289 -1.413 2.984 1.00 0.00 C ATOM 1085 CG PRO A 68 10.136 -1.862 1.838 1.00 0.00 C ATOM 1086 CD PRO A 68 11.084 -0.706 1.532 1.00 0.00 C ATOM 0 HA PRO A 68 8.218 0.414 2.346 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.753 -1.664 3.938 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.313 -1.898 2.966 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.692 -2.764 2.094 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.522 -2.102 0.970 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.027 -0.809 2.068 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.325 -0.657 0.470 1.00 0.00 H new ATOM 1094 N PHE A 69 10.360 1.024 4.714 1.00 0.00 N ATOM 1095 CA PHE A 69 10.500 1.662 6.016 1.00 0.00 C ATOM 1096 C PHE A 69 9.822 3.027 6.023 1.00 0.00 C ATOM 1097 O PHE A 69 9.152 3.390 6.988 1.00 0.00 O ATOM 1098 CB PHE A 69 11.982 1.827 6.365 1.00 0.00 C ATOM 1099 CG PHE A 69 12.112 2.510 7.708 1.00 0.00 C ATOM 1100 CD1 PHE A 69 11.845 1.799 8.884 1.00 0.00 C ATOM 1101 CD2 PHE A 69 12.499 3.856 7.778 1.00 0.00 C ATOM 1102 CE1 PHE A 69 11.965 2.430 10.128 1.00 0.00 C ATOM 1103 CE2 PHE A 69 12.619 4.486 9.022 1.00 0.00 C ATOM 1104 CZ PHE A 69 12.352 3.774 10.198 1.00 0.00 C ATOM 0 H PHE A 69 11.242 0.767 4.271 1.00 0.00 H new ATOM 0 HA PHE A 69 10.020 1.026 6.760 1.00 0.00 H new ATOM 0 HB2 PHE A 69 12.471 0.853 6.392 1.00 0.00 H new ATOM 0 HB3 PHE A 69 12.484 2.415 5.596 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.546 0.763 8.832 1.00 0.00 H new ATOM 0 HD2 PHE A 69 12.704 4.407 6.872 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.759 1.880 11.034 1.00 0.00 H new ATOM 0 HE2 PHE A 69 12.918 5.522 9.075 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.444 4.261 11.158 1.00 0.00 H new ATOM 1114 N GLN A 70 10.003 3.782 4.949 1.00 0.00 N ATOM 1115 CA GLN A 70 9.410 5.104 4.853 1.00 0.00 C ATOM 1116 C GLN A 70 7.888 5.013 4.909 1.00 0.00 C ATOM 1117 O GLN A 70 7.234 5.808 5.585 1.00 0.00 O ATOM 1118 CB GLN A 70 9.831 5.759 3.537 1.00 0.00 C ATOM 1119 CG GLN A 70 9.411 7.229 3.532 1.00 0.00 C ATOM 1120 CD GLN A 70 10.221 8.009 4.563 1.00 0.00 C ATOM 1121 OE1 GLN A 70 11.402 7.727 4.767 1.00 0.00 O ATOM 1122 NE2 GLN A 70 9.656 8.981 5.225 1.00 0.00 N ATOM 0 H GLN A 70 10.553 3.502 4.137 1.00 0.00 H new ATOM 0 HA GLN A 70 9.758 5.705 5.693 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.911 5.679 3.410 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.372 5.237 2.697 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.563 7.655 2.540 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.347 7.312 3.755 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.677 9.213 5.054 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.193 9.509 5.913 1.00 0.00 H new ATOM 1131 N ILE A 71 7.328 4.041 4.194 1.00 0.00 N ATOM 1132 CA ILE A 71 5.881 3.865 4.171 1.00 0.00 C ATOM 1133 C ILE A 71 5.366 3.501 5.560 1.00 0.00 C ATOM 1134 O ILE A 71 4.360 4.041 6.020 1.00 0.00 O ATOM 1135 CB ILE A 71 5.509 2.760 3.175 1.00 0.00 C ATOM 1136 CG1 ILE A 71 5.839 3.226 1.756 1.00 0.00 C ATOM 1137 CG2 ILE A 71 4.009 2.464 3.271 1.00 0.00 C ATOM 1138 CD1 ILE A 71 5.755 2.040 0.795 1.00 0.00 C ATOM 0 H ILE A 71 7.849 3.370 3.629 1.00 0.00 H new ATOM 0 HA ILE A 71 5.420 4.803 3.861 1.00 0.00 H new ATOM 0 HB ILE A 71 6.074 1.858 3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.144 4.007 1.448 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.839 3.660 1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.747 1.678 2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.767 2.136 4.282 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.444 3.367 3.037 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.990 2.373 -0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.468 1.274 1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.747 1.626 0.815 1.00 0.00 H new ATOM 1150 N ALA A 72 6.065 2.588 6.226 1.00 0.00 N ATOM 1151 CA ALA A 72 5.669 2.164 7.564 1.00 0.00 C ATOM 1152 C ALA A 72 5.819 3.311 8.557 1.00 0.00 C ATOM 1153 O ALA A 72 4.994 3.484 9.452 1.00 0.00 O ATOM 1154 CB ALA A 72 6.529 0.986 8.012 1.00 0.00 C ATOM 0 H ALA A 72 6.902 2.130 5.865 1.00 0.00 H new ATOM 0 HA ALA A 72 4.623 1.860 7.533 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.227 0.675 9.012 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.398 0.155 7.319 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.577 1.285 8.026 1.00 0.00 H new ATOM 1160 N LYS A 73 6.882 4.089 8.391 1.00 0.00 N ATOM 1161 CA LYS A 73 7.135 5.217 9.276 1.00 0.00 C ATOM 1162 C LYS A 73 6.023 6.250 9.152 1.00 0.00 C ATOM 1163 O LYS A 73 5.603 6.846 10.144 1.00 0.00 O ATOM 1164 CB LYS A 73 8.475 5.863 8.925 1.00 0.00 C ATOM 1165 CG LYS A 73 8.804 6.951 9.952 1.00 0.00 C ATOM 1166 CD LYS A 73 10.212 7.504 9.691 1.00 0.00 C ATOM 1167 CE LYS A 73 10.219 8.360 8.419 1.00 0.00 C ATOM 1168 NZ LYS A 73 11.465 9.179 8.381 1.00 0.00 N ATOM 0 H LYS A 73 7.578 3.960 7.656 1.00 0.00 H new ATOM 0 HA LYS A 73 7.165 4.853 10.303 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.262 5.109 8.914 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.432 6.294 7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.071 7.755 9.891 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.745 6.542 10.961 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.539 8.102 10.542 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.920 6.682 9.588 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.163 7.722 7.537 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.343 9.009 8.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.472 9.761 7.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.499 9.798 9.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.294 8.551 8.381 1.00 0.00 H new ATOM 1182 N ALA A 74 5.549 6.458 7.928 1.00 0.00 N ATOM 1183 CA ALA A 74 4.486 7.426 7.689 1.00 0.00 C ATOM 1184 C ALA A 74 3.246 7.064 8.502 1.00 0.00 C ATOM 1185 O ALA A 74 2.633 7.923 9.134 1.00 0.00 O ATOM 1186 CB ALA A 74 4.139 7.459 6.199 1.00 0.00 C ATOM 0 H ALA A 74 5.881 5.974 7.094 1.00 0.00 H new ATOM 0 HA ALA A 74 4.833 8.412 7.999 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.344 8.184 6.027 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.021 7.745 5.626 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.804 6.471 5.881 1.00 0.00 H new ATOM 1192 N LEU A 75 2.889 5.786 8.482 1.00 0.00 N ATOM 1193 CA LEU A 75 1.727 5.312 9.223 1.00 0.00 C ATOM 1194 C LEU A 75 1.939 5.483 10.723 1.00 0.00 C ATOM 1195 O LEU A 75 1.013 5.839 11.454 1.00 0.00 O ATOM 1196 CB LEU A 75 1.470 3.838 8.905 1.00 0.00 C ATOM 1197 CG LEU A 75 0.989 3.693 7.453 1.00 0.00 C ATOM 1198 CD1 LEU A 75 0.928 2.206 7.094 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -0.405 4.334 7.280 1.00 0.00 C ATOM 0 H LEU A 75 3.385 5.062 7.963 1.00 0.00 H new ATOM 0 HA LEU A 75 0.863 5.904 8.922 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.382 3.260 9.055 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.722 3.435 9.587 1.00 0.00 H new ATOM 0 HG LEU A 75 1.687 4.205 6.790 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.587 2.094 6.065 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.920 1.766 7.198 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.233 1.698 7.763 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.731 4.223 6.246 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.117 3.839 7.940 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.352 5.393 7.532 1.00 0.00 H new ATOM 1211 N ASN A 76 3.157 5.220 11.176 1.00 0.00 N ATOM 1212 CA ASN A 76 3.476 5.342 12.593 1.00 0.00 C ATOM 1213 C ASN A 76 3.251 6.774 13.069 1.00 0.00 C ATOM 1214 O ASN A 76 2.753 6.999 14.172 1.00 0.00 O ATOM 1215 CB ASN A 76 4.936 4.952 12.834 1.00 0.00 C ATOM 1216 CG ASN A 76 5.122 3.456 12.603 1.00 0.00 C ATOM 1217 OD1 ASN A 76 6.247 2.956 12.651 1.00 0.00 O ATOM 1218 ND2 ASN A 76 4.084 2.709 12.345 1.00 0.00 N ATOM 0 H ASN A 76 3.936 4.923 10.588 1.00 0.00 H new ATOM 0 HA ASN A 76 2.822 4.674 13.153 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.587 5.515 12.165 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.226 5.210 13.852 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.203 1.709 12.183 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.153 3.125 12.306 1.00 0.00 H new ATOM 1225 N GLU A 77 3.615 7.735 12.230 1.00 0.00 N ATOM 1226 CA GLU A 77 3.442 9.143 12.578 1.00 0.00 C ATOM 1227 C GLU A 77 1.968 9.465 12.797 1.00 0.00 C ATOM 1228 O GLU A 77 1.619 10.230 13.696 1.00 0.00 O ATOM 1229 CB GLU A 77 3.994 10.032 11.462 1.00 0.00 C ATOM 1230 CG GLU A 77 5.517 9.909 11.417 1.00 0.00 C ATOM 1231 CD GLU A 77 6.069 10.705 10.239 1.00 0.00 C ATOM 1232 OE1 GLU A 77 5.276 11.313 9.538 1.00 0.00 O ATOM 1233 OE2 GLU A 77 7.275 10.694 10.055 1.00 0.00 O ATOM 0 H GLU A 77 4.028 7.570 11.312 1.00 0.00 H new ATOM 0 HA GLU A 77 3.988 9.335 13.501 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.566 9.738 10.503 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.707 11.070 11.634 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.948 10.276 12.349 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.803 8.861 11.325 1.00 0.00 H new ATOM 1240 N ALA A 78 1.110 8.882 11.970 1.00 0.00 N ATOM 1241 CA ALA A 78 -0.326 9.118 12.080 1.00 0.00 C ATOM 1242 C ALA A 78 -0.931 8.246 13.179 1.00 0.00 C ATOM 1243 O ALA A 78 -2.147 8.230 13.364 1.00 0.00 O ATOM 1244 CB ALA A 78 -1.007 8.816 10.744 1.00 0.00 C ATOM 0 H ALA A 78 1.380 8.246 11.220 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.487 10.165 12.338 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.079 8.994 10.833 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.595 9.464 9.971 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.834 7.774 10.475 1.00 0.00 H new ATOM 1308 N ALA A 82 1.524 0.158 12.403 1.00 0.00 N ATOM 1309 CA ALA A 82 1.637 -0.767 11.277 1.00 0.00 C ATOM 1310 C ALA A 82 3.070 -1.268 11.144 1.00 0.00 C ATOM 1311 O ALA A 82 4.007 -0.633 11.630 1.00 0.00 O ATOM 1312 CB ALA A 82 1.218 -0.064 9.982 1.00 0.00 C ATOM 0 HA ALA A 82 0.980 -1.618 11.458 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.304 -0.759 9.147 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.185 0.273 10.069 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.866 0.795 9.808 1.00 0.00 H new ATOM 1318 N ASN A 83 3.233 -2.412 10.488 1.00 0.00 N ATOM 1319 CA ASN A 83 4.556 -2.997 10.298 1.00 0.00 C ATOM 1320 C ASN A 83 4.600 -3.797 9.002 1.00 0.00 C ATOM 1321 O ASN A 83 3.567 -4.051 8.387 1.00 0.00 O ATOM 1322 CB ASN A 83 4.892 -3.912 11.477 1.00 0.00 C ATOM 1323 CG ASN A 83 3.742 -4.885 11.726 1.00 0.00 C ATOM 1324 OD1 ASN A 83 3.598 -5.873 11.006 1.00 0.00 O ATOM 1325 ND2 ASN A 83 2.908 -4.660 12.703 1.00 0.00 N ATOM 0 H ASN A 83 2.469 -2.951 10.080 1.00 0.00 H new ATOM 0 HA ASN A 83 5.289 -2.192 10.242 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.808 -4.464 11.270 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.075 -3.315 12.371 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.135 -5.303 12.872 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.029 -3.841 13.298 1.00 0.00 H new ATOM 1332 N VAL A 84 5.801 -4.192 8.593 1.00 0.00 N ATOM 1333 CA VAL A 84 5.968 -4.968 7.365 1.00 0.00 C ATOM 1334 C VAL A 84 5.942 -6.459 7.668 1.00 0.00 C ATOM 1335 O VAL A 84 6.859 -6.988 8.296 1.00 0.00 O ATOM 1336 CB VAL A 84 7.299 -4.610 6.705 1.00 0.00 C ATOM 1337 CG1 VAL A 84 7.359 -5.227 5.306 1.00 0.00 C ATOM 1338 CG2 VAL A 84 7.421 -3.090 6.596 1.00 0.00 C ATOM 0 H VAL A 84 6.669 -3.990 9.089 1.00 0.00 H new ATOM 0 HA VAL A 84 5.146 -4.729 6.690 1.00 0.00 H new ATOM 0 HB VAL A 84 8.119 -4.999 7.309 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.309 -4.971 4.836 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.272 -6.311 5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.539 -4.839 4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.370 -2.834 6.125 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.600 -2.701 5.993 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.379 -2.649 7.592 1.00 0.00 H new