USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 589 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 7 THR OG1 : rot 117:sc= 0.659 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.881 USER MOD Single : A 2 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.077) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 150:sc= -2.07 USER MOD Single : A 14 THR OG1 : rot -46:sc= 1.03 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0094 USER MOD Single : A 25 ASN : amide:sc= -2.99 X(o=-3,f=-3.4!) USER MOD Single : A 27 LYS NZ :NH3+ -126:sc= -3.1 (180deg=-8.86!) USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= -3.26! (180deg=-3.49!) USER MOD Single : A 31 GLN : amide:sc= -1.94 K(o=-1.9,f=-8.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1 K(o=-1,f=-3.6!) USER MOD Single : A 41 GLN : amide:sc= -7.24! C(o=-7.2!,f=-13!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.97 K(o=-3,f=-9.9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -47:sc= -1.49 USER MOD Single : A 60 ASN : amide:sc= -0.155 K(o=-0.15,f=-2.4!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 141:sc= -0.809 (180deg=-2.28!) USER MOD Single : A 65 SER OG : rot -108:sc= -0.199 USER MOD Single : A 66 THR OG1 : rot 86:sc= 0.0861 USER MOD Single : A 68 HIS : no HE2:sc= 0.583 K(o=0.58,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 326 N GLN A 2 -3.329 -8.324 7.056 1.00 0.00 N ATOM 327 CA GLN A 2 -2.058 -7.643 7.280 1.00 0.00 C ATOM 328 C GLN A 2 -1.485 -7.130 5.963 1.00 0.00 C ATOM 329 O GLN A 2 -0.746 -7.839 5.280 1.00 0.00 O ATOM 330 CB GLN A 2 -1.061 -8.586 7.957 1.00 0.00 C ATOM 331 CG GLN A 2 -0.790 -8.242 9.412 1.00 0.00 C ATOM 332 CD GLN A 2 -0.844 -9.456 10.320 1.00 0.00 C ATOM 333 OE1 GLN A 2 0.054 -9.679 11.130 1.00 0.00 O ATOM 334 NE2 GLN A 2 -1.903 -10.246 10.187 1.00 0.00 N ATOM 0 HA GLN A 2 -2.236 -6.791 7.936 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.441 -9.606 7.898 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -0.121 -8.564 7.406 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.192 -7.775 9.494 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.521 -7.508 9.750 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -2.624 -10.021 9.501 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.996 -11.077 10.771 1.00 0.00 H new ATOM 343 N ILE A 3 -1.831 -5.896 5.613 1.00 0.00 N ATOM 344 CA ILE A 3 -1.353 -5.289 4.375 1.00 0.00 C ATOM 345 C ILE A 3 -0.018 -4.587 4.590 1.00 0.00 C ATOM 346 O ILE A 3 0.453 -4.467 5.720 1.00 0.00 O ATOM 347 CB ILE A 3 -2.370 -4.277 3.816 1.00 0.00 C ATOM 348 CG1 ILE A 3 -2.665 -3.191 4.850 1.00 0.00 C ATOM 349 CG2 ILE A 3 -3.652 -4.986 3.403 1.00 0.00 C ATOM 350 CD1 ILE A 3 -2.987 -1.848 4.243 1.00 0.00 C ATOM 0 H ILE A 3 -2.441 -5.296 6.169 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.224 -6.097 3.654 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.940 -3.803 2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.503 -3.510 5.470 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.803 -3.085 5.509 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.361 -4.257 3.010 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.428 -5.725 2.634 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.087 -5.485 4.269 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.185 -1.128 5.037 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.141 -1.506 3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.868 -1.938 3.607 1.00 0.00 H new ATOM 362 N PHE A 4 0.590 -4.125 3.503 1.00 0.00 N ATOM 363 CA PHE A 4 1.872 -3.437 3.585 1.00 0.00 C ATOM 364 C PHE A 4 1.788 -2.041 2.976 1.00 0.00 C ATOM 365 O PHE A 4 1.820 -1.880 1.757 1.00 0.00 O ATOM 366 CB PHE A 4 2.964 -4.255 2.891 1.00 0.00 C ATOM 367 CG PHE A 4 3.978 -4.809 3.850 1.00 0.00 C ATOM 368 CD1 PHE A 4 4.641 -3.971 4.729 1.00 0.00 C ATOM 369 CD2 PHE A 4 4.254 -6.166 3.886 1.00 0.00 C ATOM 370 CE1 PHE A 4 5.564 -4.471 5.627 1.00 0.00 C ATOM 371 CE2 PHE A 4 5.175 -6.675 4.782 1.00 0.00 C ATOM 372 CZ PHE A 4 5.831 -5.825 5.656 1.00 0.00 C ATOM 0 H PHE A 4 0.217 -4.214 2.558 1.00 0.00 H new ATOM 0 HA PHE A 4 2.129 -3.331 4.639 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.503 -5.077 2.343 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.470 -3.627 2.157 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.434 -2.911 4.713 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.744 -6.833 3.207 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.076 -3.804 6.305 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.383 -7.735 4.800 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.550 -6.220 6.359 1.00 0.00 H new ATOM 382 N VAL A 5 1.685 -1.034 3.838 1.00 0.00 N ATOM 383 CA VAL A 5 1.604 0.349 3.387 1.00 0.00 C ATOM 384 C VAL A 5 2.984 0.872 3.006 1.00 0.00 C ATOM 385 O VAL A 5 3.834 1.095 3.869 1.00 0.00 O ATOM 386 CB VAL A 5 0.997 1.262 4.472 1.00 0.00 C ATOM 387 CG1 VAL A 5 0.829 2.680 3.945 1.00 0.00 C ATOM 388 CG2 VAL A 5 -0.335 0.706 4.960 1.00 0.00 C ATOM 0 H VAL A 5 1.656 -1.151 4.851 1.00 0.00 H new ATOM 0 HA VAL A 5 0.954 0.365 2.512 1.00 0.00 H new ATOM 0 HB VAL A 5 1.683 1.291 5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.400 3.309 4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.801 3.077 3.653 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.166 2.670 3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.746 1.365 5.725 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.031 0.642 4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.182 -0.288 5.381 1.00 0.00 H new ATOM 398 N LYS A 6 3.202 1.058 1.707 1.00 0.00 N ATOM 399 CA LYS A 6 4.480 1.551 1.206 1.00 0.00 C ATOM 400 C LYS A 6 4.424 3.053 0.950 1.00 0.00 C ATOM 401 O LYS A 6 3.536 3.541 0.251 1.00 0.00 O ATOM 402 CB LYS A 6 4.863 0.817 -0.080 1.00 0.00 C ATOM 403 CG LYS A 6 6.347 0.884 -0.400 1.00 0.00 C ATOM 404 CD LYS A 6 6.787 -0.292 -1.256 1.00 0.00 C ATOM 405 CE LYS A 6 8.221 -0.129 -1.734 1.00 0.00 C ATOM 406 NZ LYS A 6 8.939 -1.431 -1.792 1.00 0.00 N1+ ATOM 0 H LYS A 6 2.509 0.874 0.982 1.00 0.00 H new ATOM 0 HA LYS A 6 5.237 1.360 1.966 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.565 -0.228 0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.301 1.242 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.566 1.816 -0.921 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.920 0.895 0.527 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.696 -1.215 -0.683 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.124 -0.385 -2.116 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.224 0.331 -2.722 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.752 0.549 -1.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.913 -1.276 -2.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.959 -1.859 -0.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.448 -2.069 -2.450 1.00 0.00 H new ATOM 420 N THR A 7 5.379 3.782 1.519 1.00 0.00 N ATOM 421 CA THR A 7 5.438 5.229 1.350 1.00 0.00 C ATOM 422 C THR A 7 6.246 5.600 0.111 1.00 0.00 C ATOM 423 O THR A 7 7.016 4.790 -0.405 1.00 0.00 O ATOM 424 CB THR A 7 6.055 5.883 2.588 1.00 0.00 C ATOM 425 OG1 THR A 7 7.448 5.633 2.646 1.00 0.00 O ATOM 426 CG2 THR A 7 5.447 5.399 3.887 1.00 0.00 C ATOM 0 H THR A 7 6.122 3.394 2.101 1.00 0.00 H new ATOM 0 HA THR A 7 4.420 5.596 1.222 1.00 0.00 H new ATOM 0 HB THR A 7 5.849 6.948 2.484 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.936 6.480 2.574 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.930 5.902 4.725 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.380 5.623 3.895 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.592 4.323 3.978 1.00 0.00 H new ATOM 434 N LEU A 8 6.063 6.828 -0.362 1.00 0.00 N ATOM 435 CA LEU A 8 6.776 7.307 -1.541 1.00 0.00 C ATOM 436 C LEU A 8 8.284 7.259 -1.322 1.00 0.00 C ATOM 437 O LEU A 8 9.042 6.904 -2.225 1.00 0.00 O ATOM 438 CB LEU A 8 6.343 8.734 -1.882 1.00 0.00 C ATOM 439 CG LEU A 8 5.019 8.844 -2.641 1.00 0.00 C ATOM 440 CD1 LEU A 8 4.156 9.956 -2.071 1.00 0.00 C ATOM 441 CD2 LEU A 8 5.268 9.102 -4.112 1.00 0.00 C ATOM 0 H LEU A 8 5.427 7.510 0.053 1.00 0.00 H new ATOM 0 HA LEU A 8 6.527 6.651 -2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.262 9.304 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.126 9.203 -2.478 1.00 0.00 H new ATOM 0 HG LEU A 8 4.493 7.896 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.221 10.013 -2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.942 9.749 -1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.685 10.905 -2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.314 9.177 -4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.821 10.034 -4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.848 8.281 -4.532 1.00 0.00 H new ATOM 453 N THR A 9 8.713 7.617 -0.116 1.00 0.00 N ATOM 454 CA THR A 9 10.131 7.612 0.222 1.00 0.00 C ATOM 455 C THR A 9 10.715 6.209 0.098 1.00 0.00 C ATOM 456 O THR A 9 11.891 6.041 -0.221 1.00 0.00 O ATOM 457 CB THR A 9 10.339 8.140 1.644 1.00 0.00 C ATOM 458 OG1 THR A 9 9.481 7.476 2.555 1.00 0.00 O ATOM 459 CG2 THR A 9 10.085 9.626 1.773 1.00 0.00 C ATOM 0 H THR A 9 8.099 7.914 0.643 1.00 0.00 H new ATOM 0 HA THR A 9 10.649 8.265 -0.481 1.00 0.00 H new ATOM 0 HB THR A 9 11.386 7.946 1.875 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.629 7.826 3.458 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.250 9.935 2.805 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.766 10.170 1.118 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.056 9.845 1.489 1.00 0.00 H new ATOM 467 N GLY A 10 9.883 5.204 0.352 1.00 0.00 N ATOM 468 CA GLY A 10 10.334 3.827 0.264 1.00 0.00 C ATOM 469 C GLY A 10 10.255 3.103 1.593 1.00 0.00 C ATOM 470 O GLY A 10 11.225 2.483 2.028 1.00 0.00 O ATOM 0 H GLY A 10 8.905 5.318 0.617 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.729 3.296 -0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.363 3.808 -0.096 1.00 0.00 H new ATOM 474 N LYS A 11 9.098 3.182 2.241 1.00 0.00 N ATOM 475 CA LYS A 11 8.899 2.528 3.530 1.00 0.00 C ATOM 476 C LYS A 11 7.609 1.713 3.534 1.00 0.00 C ATOM 477 O LYS A 11 6.511 2.267 3.499 1.00 0.00 O ATOM 478 CB LYS A 11 8.862 3.564 4.654 1.00 0.00 C ATOM 479 CG LYS A 11 8.656 2.958 6.034 1.00 0.00 C ATOM 480 CD LYS A 11 9.962 2.496 6.645 1.00 0.00 C ATOM 481 CE LYS A 11 9.931 1.014 6.983 1.00 0.00 C ATOM 482 NZ LYS A 11 11.301 0.447 7.126 1.00 0.00 N1+ ATOM 0 H LYS A 11 8.285 3.691 1.896 1.00 0.00 H new ATOM 0 HA LYS A 11 9.737 1.852 3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.796 4.127 4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.060 4.275 4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.189 3.694 6.688 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.970 2.114 5.962 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.779 2.694 5.951 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.165 3.071 7.548 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.378 0.865 7.910 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.395 0.475 6.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.236 -0.565 7.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.821 0.566 6.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.804 0.944 7.888 1.00 0.00 H new ATOM 496 N THR A 12 7.754 0.394 3.586 1.00 0.00 N ATOM 497 CA THR A 12 6.607 -0.505 3.601 1.00 0.00 C ATOM 498 C THR A 12 6.456 -1.154 4.973 1.00 0.00 C ATOM 499 O THR A 12 7.362 -1.838 5.446 1.00 0.00 O ATOM 500 CB THR A 12 6.762 -1.584 2.529 1.00 0.00 C ATOM 501 OG1 THR A 12 7.504 -1.092 1.427 1.00 0.00 O ATOM 502 CG2 THR A 12 5.442 -2.098 1.999 1.00 0.00 C ATOM 0 H THR A 12 8.658 -0.078 3.619 1.00 0.00 H new ATOM 0 HA THR A 12 5.711 0.079 3.388 1.00 0.00 H new ATOM 0 HB THR A 12 7.281 -2.406 3.021 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.996 -1.829 1.009 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.626 -2.861 1.242 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.865 -2.530 2.817 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.882 -1.274 1.556 1.00 0.00 H new ATOM 510 N ILE A 13 5.311 -0.930 5.614 1.00 0.00 N ATOM 511 CA ILE A 13 5.066 -1.495 6.937 1.00 0.00 C ATOM 512 C ILE A 13 3.829 -2.386 6.962 1.00 0.00 C ATOM 513 O ILE A 13 2.813 -2.076 6.341 1.00 0.00 O ATOM 514 CB ILE A 13 4.900 -0.398 8.001 1.00 0.00 C ATOM 515 CG1 ILE A 13 6.176 0.409 8.144 1.00 0.00 C ATOM 516 CG2 ILE A 13 4.540 -1.019 9.328 1.00 0.00 C ATOM 517 CD1 ILE A 13 7.356 -0.434 8.522 1.00 0.00 C ATOM 0 H ILE A 13 4.546 -0.367 5.243 1.00 0.00 H new ATOM 0 HA ILE A 13 5.944 -2.098 7.168 1.00 0.00 H new ATOM 0 HB ILE A 13 4.099 0.270 7.684 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.386 0.919 7.204 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.030 1.181 8.899 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.424 -0.236 10.077 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.604 -1.569 9.230 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.332 -1.702 9.637 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.241 0.197 8.610 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.163 -0.923 9.477 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.524 -1.190 7.755 1.00 0.00 H new ATOM 529 N THR A 14 3.924 -3.488 7.702 1.00 0.00 N ATOM 530 CA THR A 14 2.811 -4.419 7.828 1.00 0.00 C ATOM 531 C THR A 14 1.764 -3.856 8.776 1.00 0.00 C ATOM 532 O THR A 14 1.997 -3.743 9.980 1.00 0.00 O ATOM 533 CB THR A 14 3.298 -5.778 8.334 1.00 0.00 C ATOM 534 OG1 THR A 14 4.689 -5.930 8.115 1.00 0.00 O ATOM 535 CG2 THR A 14 2.597 -6.946 7.672 1.00 0.00 C ATOM 0 H THR A 14 4.760 -3.756 8.222 1.00 0.00 H new ATOM 0 HA THR A 14 2.364 -4.556 6.843 1.00 0.00 H new ATOM 0 HB THR A 14 3.066 -5.789 9.399 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.908 -5.655 7.200 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.988 -7.881 8.075 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.526 -6.886 7.868 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.772 -6.913 6.597 1.00 0.00 H new ATOM 543 N LEU A 15 0.617 -3.494 8.225 1.00 0.00 N ATOM 544 CA LEU A 15 -0.464 -2.928 9.016 1.00 0.00 C ATOM 545 C LEU A 15 -1.753 -3.721 8.816 1.00 0.00 C ATOM 546 O LEU A 15 -2.226 -3.886 7.692 1.00 0.00 O ATOM 547 CB LEU A 15 -0.661 -1.461 8.632 1.00 0.00 C ATOM 548 CG LEU A 15 -1.359 -0.597 9.681 1.00 0.00 C ATOM 549 CD1 LEU A 15 -2.702 -1.195 10.056 1.00 0.00 C ATOM 550 CD2 LEU A 15 -0.481 -0.436 10.911 1.00 0.00 C ATOM 0 H LEU A 15 0.410 -3.582 7.230 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.202 -2.986 10.072 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.315 -1.025 8.418 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.239 -1.419 7.709 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.532 0.391 9.253 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.184 -0.566 10.804 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.334 -1.254 9.170 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.554 -2.195 10.464 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.995 0.182 11.647 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.274 -1.416 11.341 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.457 0.041 10.628 1.00 0.00 H new ATOM 562 N GLU A 16 -2.307 -4.217 9.918 1.00 0.00 N ATOM 563 CA GLU A 16 -3.536 -5.001 9.873 1.00 0.00 C ATOM 564 C GLU A 16 -4.759 -4.099 9.748 1.00 0.00 C ATOM 565 O GLU A 16 -4.996 -3.238 10.595 1.00 0.00 O ATOM 566 CB GLU A 16 -3.655 -5.869 11.127 1.00 0.00 C ATOM 567 CG GLU A 16 -4.888 -6.748 11.143 1.00 0.00 C ATOM 568 CD GLU A 16 -4.773 -7.942 10.214 1.00 0.00 C ATOM 569 OE1 GLU A 16 -3.684 -8.143 9.637 1.00 0.00 O ATOM 570 OE2 GLU A 16 -5.772 -8.675 10.066 1.00 0.00 O1- ATOM 0 H GLU A 16 -1.923 -4.089 10.854 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.493 -5.644 8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.769 -6.499 11.208 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.668 -5.224 12.005 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.064 -7.100 12.159 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.756 -6.154 10.857 1.00 0.00 H new ATOM 577 N VAL A 17 -5.534 -4.308 8.689 1.00 0.00 N ATOM 578 CA VAL A 17 -6.735 -3.517 8.453 1.00 0.00 C ATOM 579 C VAL A 17 -7.869 -4.389 7.924 1.00 0.00 C ATOM 580 O VAL A 17 -7.753 -4.995 6.859 1.00 0.00 O ATOM 581 CB VAL A 17 -6.471 -2.377 7.452 1.00 0.00 C ATOM 582 CG1 VAL A 17 -5.545 -1.333 8.060 1.00 0.00 C ATOM 583 CG2 VAL A 17 -5.890 -2.926 6.159 1.00 0.00 C ATOM 0 H VAL A 17 -5.351 -5.019 7.981 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.024 -3.087 9.412 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.421 -1.895 7.221 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.371 -0.536 7.337 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.005 -0.916 8.956 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.595 -1.798 8.323 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.710 -2.106 5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.950 -3.436 6.370 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.593 -3.631 5.715 1.00 0.00 H new ATOM 593 N GLU A 18 -8.964 -4.449 8.675 1.00 0.00 N ATOM 594 CA GLU A 18 -10.117 -5.248 8.279 1.00 0.00 C ATOM 595 C GLU A 18 -10.792 -4.656 7.044 1.00 0.00 C ATOM 596 O GLU A 18 -10.830 -3.437 6.874 1.00 0.00 O ATOM 597 CB GLU A 18 -11.121 -5.337 9.430 1.00 0.00 C ATOM 598 CG GLU A 18 -10.604 -6.112 10.631 1.00 0.00 C ATOM 599 CD GLU A 18 -10.992 -7.576 10.591 1.00 0.00 C ATOM 600 OE1 GLU A 18 -12.012 -7.903 9.948 1.00 0.00 O1- ATOM 601 OE2 GLU A 18 -10.277 -8.398 11.203 1.00 0.00 O ATOM 0 H GLU A 18 -9.077 -3.954 9.560 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.766 -6.250 8.033 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.388 -4.329 9.747 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.034 -5.810 9.069 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.518 -6.029 10.672 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.993 -5.662 11.544 1.00 0.00 H new ATOM 608 N PRO A 19 -11.338 -5.511 6.162 1.00 0.00 N ATOM 609 CA PRO A 19 -12.013 -5.058 4.941 1.00 0.00 C ATOM 610 C PRO A 19 -13.167 -4.108 5.239 1.00 0.00 C ATOM 611 O PRO A 19 -13.307 -3.064 4.601 1.00 0.00 O ATOM 612 CB PRO A 19 -12.538 -6.353 4.310 1.00 0.00 C ATOM 613 CG PRO A 19 -11.699 -7.436 4.895 1.00 0.00 C ATOM 614 CD PRO A 19 -11.342 -6.980 6.281 1.00 0.00 C ATOM 0 HA PRO A 19 -11.339 -4.499 4.291 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.593 -6.504 4.539 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.448 -6.327 3.224 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.244 -8.380 4.923 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.804 -7.602 4.296 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.069 -7.322 7.017 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.370 -7.361 6.592 1.00 0.00 H new ATOM 622 N SER A 20 -13.993 -4.478 6.212 1.00 0.00 N ATOM 623 CA SER A 20 -15.139 -3.661 6.596 1.00 0.00 C ATOM 624 C SER A 20 -14.687 -2.300 7.118 1.00 0.00 C ATOM 625 O SER A 20 -15.352 -1.288 6.895 1.00 0.00 O ATOM 626 CB SER A 20 -15.969 -4.378 7.663 1.00 0.00 C ATOM 627 OG SER A 20 -16.898 -5.269 7.072 1.00 0.00 O ATOM 0 H SER A 20 -13.890 -5.339 6.749 1.00 0.00 H new ATOM 0 HA SER A 20 -15.755 -3.505 5.710 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.308 -4.928 8.333 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.499 -3.644 8.270 1.00 0.00 H new ATOM 0 HG SER A 20 -17.415 -5.716 7.774 1.00 0.00 H new ATOM 633 N ASP A 21 -13.554 -2.283 7.813 1.00 0.00 N ATOM 634 CA ASP A 21 -13.015 -1.046 8.365 1.00 0.00 C ATOM 635 C ASP A 21 -12.759 -0.023 7.263 1.00 0.00 C ATOM 636 O ASP A 21 -12.414 -0.382 6.138 1.00 0.00 O ATOM 637 CB ASP A 21 -11.718 -1.325 9.128 1.00 0.00 C ATOM 638 CG ASP A 21 -11.965 -2.014 10.456 1.00 0.00 C ATOM 639 OD1 ASP A 21 -13.079 -2.543 10.654 1.00 0.00 O1- ATOM 640 OD2 ASP A 21 -11.043 -2.024 11.299 1.00 0.00 O ATOM 0 H ASP A 21 -12.992 -3.112 8.007 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.753 -0.634 9.054 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.066 -1.947 8.515 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.192 -0.386 9.301 1.00 0.00 H new ATOM 645 N THR A 22 -12.932 1.253 7.594 1.00 0.00 N ATOM 646 CA THR A 22 -12.720 2.327 6.631 1.00 0.00 C ATOM 647 C THR A 22 -11.265 2.785 6.640 1.00 0.00 C ATOM 648 O THR A 22 -10.456 2.298 7.429 1.00 0.00 O ATOM 649 CB THR A 22 -13.641 3.508 6.943 1.00 0.00 C ATOM 650 OG1 THR A 22 -13.582 3.840 8.319 1.00 0.00 O ATOM 651 CG2 THR A 22 -15.090 3.245 6.596 1.00 0.00 C ATOM 0 H THR A 22 -13.218 1.568 8.521 1.00 0.00 H new ATOM 0 HA THR A 22 -12.955 1.944 5.638 1.00 0.00 H new ATOM 0 HB THR A 22 -13.279 4.328 6.323 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.176 4.598 8.498 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.688 4.122 6.842 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.176 3.034 5.530 1.00 0.00 H new ATOM 0 HG23 THR A 22 -15.451 2.388 7.165 1.00 0.00 H new ATOM 659 N ILE A 23 -10.941 3.723 5.758 1.00 0.00 N ATOM 660 CA ILE A 23 -9.583 4.245 5.666 1.00 0.00 C ATOM 661 C ILE A 23 -9.159 4.901 6.977 1.00 0.00 C ATOM 662 O ILE A 23 -7.989 4.853 7.356 1.00 0.00 O ATOM 663 CB ILE A 23 -9.446 5.269 4.522 1.00 0.00 C ATOM 664 CG1 ILE A 23 -9.968 4.674 3.211 1.00 0.00 C ATOM 665 CG2 ILE A 23 -7.995 5.706 4.369 1.00 0.00 C ATOM 666 CD1 ILE A 23 -9.299 3.373 2.827 1.00 0.00 C ATOM 0 H ILE A 23 -11.599 4.137 5.097 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.932 3.396 5.458 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.045 6.146 4.767 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.042 4.508 3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.822 5.398 2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.916 6.429 3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.653 6.164 5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.375 4.838 4.143 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.719 3.011 1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.228 3.536 2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.467 2.633 3.609 1.00 0.00 H new ATOM 678 N GLU A 24 -10.118 5.512 7.665 1.00 0.00 N ATOM 679 CA GLU A 24 -9.841 6.175 8.933 1.00 0.00 C ATOM 680 C GLU A 24 -9.254 5.194 9.944 1.00 0.00 C ATOM 681 O GLU A 24 -8.317 5.525 10.668 1.00 0.00 O ATOM 682 CB GLU A 24 -11.117 6.805 9.495 1.00 0.00 C ATOM 683 CG GLU A 24 -10.872 8.095 10.262 1.00 0.00 C ATOM 684 CD GLU A 24 -12.097 8.561 11.025 1.00 0.00 C ATOM 685 OE1 GLU A 24 -12.537 7.835 11.941 1.00 0.00 O ATOM 686 OE2 GLU A 24 -12.616 9.650 10.707 1.00 0.00 O1- ATOM 0 H GLU A 24 -11.092 5.561 7.366 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.108 6.961 8.750 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.805 7.005 8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.607 6.088 10.154 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.048 7.947 10.960 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.564 8.875 9.565 1.00 0.00 H new ATOM 693 N ASN A 25 -9.807 3.985 9.980 1.00 0.00 N ATOM 694 CA ASN A 25 -9.328 2.953 10.896 1.00 0.00 C ATOM 695 C ASN A 25 -7.897 2.559 10.549 1.00 0.00 C ATOM 696 O ASN A 25 -7.107 2.190 11.419 1.00 0.00 O ATOM 697 CB ASN A 25 -10.240 1.726 10.840 1.00 0.00 C ATOM 698 CG ASN A 25 -10.412 1.071 12.196 1.00 0.00 C ATOM 699 OD1 ASN A 25 -9.590 1.250 13.094 1.00 0.00 O ATOM 700 ND2 ASN A 25 -11.486 0.306 12.352 1.00 0.00 N ATOM 0 H ASN A 25 -10.585 3.696 9.387 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.345 3.355 11.909 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.217 2.020 10.455 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.826 1.001 10.139 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.655 -0.160 13.243 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.142 0.185 11.581 1.00 0.00 H new ATOM 707 N VAL A 26 -7.573 2.651 9.267 1.00 0.00 N ATOM 708 CA VAL A 26 -6.240 2.319 8.783 1.00 0.00 C ATOM 709 C VAL A 26 -5.275 3.440 9.119 1.00 0.00 C ATOM 710 O VAL A 26 -4.296 3.233 9.835 1.00 0.00 O ATOM 711 CB VAL A 26 -6.254 2.071 7.268 1.00 0.00 C ATOM 712 CG1 VAL A 26 -4.998 1.334 6.826 1.00 0.00 C ATOM 713 CG2 VAL A 26 -7.504 1.293 6.895 1.00 0.00 C ATOM 0 H VAL A 26 -8.220 2.955 8.539 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.912 1.403 9.275 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.267 3.030 6.750 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.032 1.170 5.749 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.120 1.930 7.075 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.941 0.373 7.337 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.515 1.116 5.819 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.508 0.338 7.420 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.387 1.866 7.178 1.00 0.00 H new ATOM 723 N LYS A 27 -5.584 4.646 8.648 1.00 0.00 N ATOM 724 CA LYS A 27 -4.760 5.804 8.963 1.00 0.00 C ATOM 725 C LYS A 27 -4.663 5.926 10.478 1.00 0.00 C ATOM 726 O LYS A 27 -3.704 6.472 11.018 1.00 0.00 O ATOM 727 CB LYS A 27 -5.362 7.077 8.365 1.00 0.00 C ATOM 728 CG LYS A 27 -5.347 7.105 6.845 1.00 0.00 C ATOM 729 CD LYS A 27 -4.003 6.659 6.294 1.00 0.00 C ATOM 730 CE LYS A 27 -3.937 6.824 4.784 1.00 0.00 C ATOM 731 NZ LYS A 27 -3.772 8.250 4.385 1.00 0.00 N1+ ATOM 0 H LYS A 27 -6.390 4.843 8.054 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.767 5.675 8.533 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.390 7.179 8.711 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.812 7.940 8.741 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.133 6.455 6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.568 8.114 6.496 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.207 7.240 6.760 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.830 5.615 6.555 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.105 6.239 4.391 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.847 6.425 4.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.521 8.511 3.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.837 8.856 5.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.843 8.380 3.936 1.00 0.00 H new ATOM 745 N ALA A 28 -5.674 5.376 11.145 1.00 0.00 N ATOM 746 CA ALA A 28 -5.746 5.365 12.592 1.00 0.00 C ATOM 747 C ALA A 28 -4.597 4.548 13.166 1.00 0.00 C ATOM 748 O ALA A 28 -3.742 5.072 13.882 1.00 0.00 O ATOM 749 CB ALA A 28 -7.081 4.776 13.018 1.00 0.00 C ATOM 0 H ALA A 28 -6.467 4.925 10.689 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.664 6.384 12.971 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.143 4.764 14.106 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.892 5.383 12.615 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.167 3.758 12.639 1.00 0.00 H new ATOM 755 N LYS A 29 -4.574 3.261 12.832 1.00 0.00 N ATOM 756 CA LYS A 29 -3.519 2.373 13.299 1.00 0.00 C ATOM 757 C LYS A 29 -2.167 2.865 12.798 1.00 0.00 C ATOM 758 O LYS A 29 -1.189 2.899 13.546 1.00 0.00 O ATOM 759 CB LYS A 29 -3.766 0.944 12.816 1.00 0.00 C ATOM 760 CG LYS A 29 -5.189 0.459 13.044 1.00 0.00 C ATOM 761 CD LYS A 29 -5.743 -0.239 11.813 1.00 0.00 C ATOM 762 CE LYS A 29 -7.193 -0.650 12.011 1.00 0.00 C ATOM 763 NZ LYS A 29 -7.777 -1.253 10.780 1.00 0.00 N1+ ATOM 0 H LYS A 29 -5.273 2.812 12.241 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.520 2.375 14.389 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.538 0.885 11.752 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.076 0.273 13.328 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.210 -0.225 13.892 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.826 1.305 13.302 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.666 0.425 10.952 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.141 -1.120 11.591 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.258 -1.365 12.831 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.780 0.221 12.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.615 -1.815 11.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.052 -0.498 10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.072 -1.868 10.327 1.00 0.00 H new ATOM 777 N ILE A 30 -2.126 3.260 11.529 1.00 0.00 N ATOM 778 CA ILE A 30 -0.901 3.769 10.928 1.00 0.00 C ATOM 779 C ILE A 30 -0.450 5.042 11.638 1.00 0.00 C ATOM 780 O ILE A 30 0.738 5.364 11.667 1.00 0.00 O ATOM 781 CB ILE A 30 -1.085 4.060 9.421 1.00 0.00 C ATOM 782 CG1 ILE A 30 -1.496 2.787 8.681 1.00 0.00 C ATOM 783 CG2 ILE A 30 0.195 4.630 8.825 1.00 0.00 C ATOM 784 CD1 ILE A 30 -1.850 3.019 7.228 1.00 0.00 C ATOM 0 H ILE A 30 -2.927 3.237 10.898 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.139 2.997 11.039 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.876 4.801 9.307 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.681 2.065 8.737 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.352 2.342 9.188 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.045 4.828 7.764 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.452 5.559 9.335 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.005 3.912 8.949 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.132 2.073 6.767 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.685 3.717 7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.989 3.435 6.706 1.00 0.00 H new ATOM 796 N GLN A 31 -1.413 5.761 12.212 1.00 0.00 N ATOM 797 CA GLN A 31 -1.126 6.998 12.927 1.00 0.00 C ATOM 798 C GLN A 31 -0.494 6.701 14.283 1.00 0.00 C ATOM 799 O GLN A 31 0.433 7.386 14.710 1.00 0.00 O ATOM 800 CB GLN A 31 -2.409 7.815 13.109 1.00 0.00 C ATOM 801 CG GLN A 31 -2.231 9.053 13.974 1.00 0.00 C ATOM 802 CD GLN A 31 -2.568 8.800 15.430 1.00 0.00 C ATOM 803 OE1 GLN A 31 -2.524 7.663 15.901 1.00 0.00 O ATOM 804 NE2 GLN A 31 -2.906 9.861 16.152 1.00 0.00 N ATOM 0 H GLN A 31 -2.400 5.505 12.194 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.418 7.580 12.337 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.778 8.118 12.129 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.174 7.179 13.555 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.200 9.399 13.898 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.865 9.853 13.592 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.929 10.785 15.721 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.142 9.752 17.138 1.00 0.00 H new ATOM 813 N ASP A 32 -1.006 5.675 14.956 1.00 0.00 N ATOM 814 CA ASP A 32 -0.492 5.287 16.264 1.00 0.00 C ATOM 815 C ASP A 32 0.731 4.378 16.136 1.00 0.00 C ATOM 816 O ASP A 32 1.429 4.126 17.118 1.00 0.00 O ATOM 817 CB ASP A 32 -1.581 4.580 17.072 1.00 0.00 C ATOM 818 CG ASP A 32 -1.492 4.885 18.554 1.00 0.00 C ATOM 819 OD1 ASP A 32 -1.521 6.079 18.918 1.00 0.00 O1- ATOM 820 OD2 ASP A 32 -1.392 3.929 19.352 1.00 0.00 O ATOM 0 H ASP A 32 -1.776 5.098 14.617 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.188 6.195 16.784 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.560 4.883 16.700 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.501 3.504 16.920 1.00 0.00 H new ATOM 825 N LYS A 33 0.986 3.887 14.926 1.00 0.00 N ATOM 826 CA LYS A 33 2.123 3.004 14.685 1.00 0.00 C ATOM 827 C LYS A 33 3.311 3.777 14.115 1.00 0.00 C ATOM 828 O LYS A 33 4.463 3.402 14.326 1.00 0.00 O ATOM 829 CB LYS A 33 1.727 1.877 13.728 1.00 0.00 C ATOM 830 CG LYS A 33 1.308 0.599 14.435 1.00 0.00 C ATOM 831 CD LYS A 33 1.794 -0.634 13.694 1.00 0.00 C ATOM 832 CE LYS A 33 3.054 -1.204 14.325 1.00 0.00 C ATOM 833 NZ LYS A 33 4.284 -0.733 13.631 1.00 0.00 N1+ ATOM 0 H LYS A 33 0.422 4.085 14.099 1.00 0.00 H new ATOM 0 HA LYS A 33 2.421 2.574 15.641 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.907 2.219 13.097 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.567 1.659 13.069 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.707 0.596 15.449 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.222 0.569 14.520 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.011 -1.392 13.695 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.991 -0.380 12.652 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.097 -0.915 15.375 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.015 -2.293 14.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.121 -1.144 14.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.256 -1.030 12.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.335 0.304 13.682 1.00 0.00 H new ATOM 847 N GLU A 34 3.022 4.852 13.388 1.00 0.00 N ATOM 848 CA GLU A 34 4.073 5.667 12.785 1.00 0.00 C ATOM 849 C GLU A 34 4.042 7.096 13.319 1.00 0.00 C ATOM 850 O GLU A 34 5.087 7.716 13.518 1.00 0.00 O ATOM 851 CB GLU A 34 3.924 5.676 11.261 1.00 0.00 C ATOM 852 CG GLU A 34 4.771 4.624 10.563 1.00 0.00 C ATOM 853 CD GLU A 34 6.003 5.211 9.901 1.00 0.00 C ATOM 854 OE1 GLU A 34 5.846 5.976 8.926 1.00 0.00 O1- ATOM 855 OE2 GLU A 34 7.125 4.908 10.359 1.00 0.00 O ATOM 0 H GLU A 34 2.074 5.179 13.202 1.00 0.00 H new ATOM 0 HA GLU A 34 5.034 5.226 13.052 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.877 5.516 11.005 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.198 6.661 10.883 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.077 3.870 11.288 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.166 4.116 9.811 1.00 0.00 H new ATOM 862 N GLY A 35 2.841 7.617 13.548 1.00 0.00 N ATOM 863 CA GLY A 35 2.705 8.970 14.055 1.00 0.00 C ATOM 864 C GLY A 35 2.274 9.949 12.979 1.00 0.00 C ATOM 865 O GLY A 35 2.604 11.133 13.038 1.00 0.00 O ATOM 0 H GLY A 35 1.960 7.127 13.392 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.976 8.980 14.865 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.656 9.294 14.478 1.00 0.00 H new ATOM 869 N ILE A 36 1.535 9.451 11.993 1.00 0.00 N ATOM 870 CA ILE A 36 1.059 10.286 10.896 1.00 0.00 C ATOM 871 C ILE A 36 -0.460 10.457 10.955 1.00 0.00 C ATOM 872 O ILE A 36 -1.207 9.535 10.631 1.00 0.00 O ATOM 873 CB ILE A 36 1.441 9.686 9.531 1.00 0.00 C ATOM 874 CG1 ILE A 36 2.920 9.296 9.517 1.00 0.00 C ATOM 875 CG2 ILE A 36 1.138 10.674 8.414 1.00 0.00 C ATOM 876 CD1 ILE A 36 3.318 8.480 8.307 1.00 0.00 C ATOM 0 H ILE A 36 1.253 8.473 11.931 1.00 0.00 H new ATOM 0 HA ILE A 36 1.538 11.259 11.006 1.00 0.00 H new ATOM 0 HB ILE A 36 0.846 8.788 9.366 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.526 10.201 9.550 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.146 8.727 10.419 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.414 10.235 7.455 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.073 10.907 8.414 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.710 11.588 8.572 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.380 8.239 8.364 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.738 7.558 8.283 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.124 9.054 7.401 1.00 0.00 H new ATOM 888 N PRO A 37 -0.940 11.645 11.368 1.00 0.00 N ATOM 889 CA PRO A 37 -2.377 11.924 11.464 1.00 0.00 C ATOM 890 C PRO A 37 -3.123 11.577 10.177 1.00 0.00 C ATOM 891 O PRO A 37 -2.568 11.679 9.083 1.00 0.00 O ATOM 892 CB PRO A 37 -2.430 13.431 11.720 1.00 0.00 C ATOM 893 CG PRO A 37 -1.131 13.749 12.375 1.00 0.00 C ATOM 894 CD PRO A 37 -0.124 12.807 11.775 1.00 0.00 C ATOM 0 HA PRO A 37 -2.856 11.328 12.241 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.551 13.987 10.790 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.272 13.695 12.361 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.848 14.787 12.198 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.195 13.616 13.455 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.388 13.256 10.924 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.643 12.526 12.497 1.00 0.00 H new ATOM 902 N PRO A 38 -4.398 11.160 10.290 1.00 0.00 N ATOM 903 CA PRO A 38 -5.216 10.800 9.125 1.00 0.00 C ATOM 904 C PRO A 38 -5.316 11.936 8.115 1.00 0.00 C ATOM 905 O PRO A 38 -5.489 11.704 6.918 1.00 0.00 O ATOM 906 CB PRO A 38 -6.592 10.499 9.726 1.00 0.00 C ATOM 907 CG PRO A 38 -6.326 10.176 11.156 1.00 0.00 C ATOM 908 CD PRO A 38 -5.140 11.008 11.553 1.00 0.00 C ATOM 0 HA PRO A 38 -4.787 9.963 8.574 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.259 11.356 9.632 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.072 9.664 9.215 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.191 10.409 11.776 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.118 9.114 11.284 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.443 11.972 11.961 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.539 10.514 12.316 1.00 0.00 H new ATOM 916 N ASP A 39 -5.209 13.168 8.602 1.00 0.00 N ATOM 917 CA ASP A 39 -5.289 14.342 7.740 1.00 0.00 C ATOM 918 C ASP A 39 -3.898 14.844 7.366 1.00 0.00 C ATOM 919 O ASP A 39 -3.708 16.032 7.100 1.00 0.00 O ATOM 920 CB ASP A 39 -6.077 15.455 8.432 1.00 0.00 C ATOM 921 CG ASP A 39 -7.575 15.270 8.306 1.00 0.00 C ATOM 922 OD1 ASP A 39 -8.158 14.549 9.144 1.00 0.00 O1- ATOM 923 OD2 ASP A 39 -8.169 15.843 7.369 1.00 0.00 O ATOM 0 H ASP A 39 -5.067 13.379 9.590 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.806 14.053 6.825 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.806 15.486 9.487 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.795 16.416 8.002 1.00 0.00 H new ATOM 928 N GLN A 40 -2.928 13.935 7.347 1.00 0.00 N ATOM 929 CA GLN A 40 -1.555 14.290 7.005 1.00 0.00 C ATOM 930 C GLN A 40 -1.045 13.442 5.843 1.00 0.00 C ATOM 931 O GLN A 40 -0.368 13.945 4.946 1.00 0.00 O ATOM 932 CB GLN A 40 -0.643 14.110 8.220 1.00 0.00 C ATOM 933 CG GLN A 40 -0.507 15.364 9.069 1.00 0.00 C ATOM 934 CD GLN A 40 0.926 15.635 9.485 1.00 0.00 C ATOM 935 OE1 GLN A 40 1.669 14.716 9.828 1.00 0.00 O ATOM 936 NE2 GLN A 40 1.320 16.902 9.458 1.00 0.00 N ATOM 0 H GLN A 40 -3.067 12.948 7.564 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.543 15.336 6.700 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.032 13.302 8.840 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.346 13.803 7.879 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.887 16.219 8.510 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.127 15.264 9.960 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.670 17.632 9.167 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.273 17.146 9.728 1.00 0.00 H new ATOM 945 N GLN A 41 -1.373 12.154 5.866 1.00 0.00 N ATOM 946 CA GLN A 41 -0.947 11.237 4.816 1.00 0.00 C ATOM 947 C GLN A 41 -2.130 10.802 3.955 1.00 0.00 C ATOM 948 O GLN A 41 -3.280 10.866 4.386 1.00 0.00 O ATOM 949 CB GLN A 41 -0.270 10.009 5.427 1.00 0.00 C ATOM 950 CG GLN A 41 -1.181 9.205 6.342 1.00 0.00 C ATOM 951 CD GLN A 41 -0.423 8.193 7.177 1.00 0.00 C ATOM 952 OE1 GLN A 41 0.670 7.761 6.810 1.00 0.00 O ATOM 953 NE2 GLN A 41 -1.002 7.808 8.308 1.00 0.00 N ATOM 0 H GLN A 41 -1.933 11.722 6.601 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.233 11.761 4.181 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.086 9.364 4.624 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.606 10.330 5.991 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.719 9.885 7.002 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.928 8.687 5.741 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.909 8.192 8.573 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.540 7.128 8.912 1.00 0.00 H new ATOM 962 N ARG A 42 -1.835 10.358 2.738 1.00 0.00 N ATOM 963 CA ARG A 42 -2.872 9.909 1.815 1.00 0.00 C ATOM 964 C ARG A 42 -2.536 8.531 1.252 1.00 0.00 C ATOM 965 O ARG A 42 -1.413 8.287 0.813 1.00 0.00 O ATOM 966 CB ARG A 42 -3.039 10.912 0.672 1.00 0.00 C ATOM 967 CG ARG A 42 -3.102 12.358 1.137 1.00 0.00 C ATOM 968 CD ARG A 42 -2.731 13.319 0.019 1.00 0.00 C ATOM 969 NE ARG A 42 -2.528 14.679 0.510 1.00 0.00 N ATOM 970 CZ ARG A 42 -3.518 15.522 0.792 1.00 0.00 C ATOM 971 NH1 ARG A 42 -4.781 15.149 0.631 1.00 0.00 N1+ ATOM 972 NH2 ARG A 42 -3.245 16.742 1.234 1.00 0.00 N ATOM 0 H ARG A 42 -0.887 10.299 2.367 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.810 9.840 2.367 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.208 10.799 -0.024 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.950 10.676 0.122 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.107 12.583 1.493 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.426 12.500 1.980 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.822 12.971 -0.471 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.519 13.320 -0.734 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.570 15.002 0.645 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.997 14.212 0.290 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.536 15.799 0.849 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.276 17.035 1.358 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.004 17.388 1.450 1.00 0.00 H new ATOM 986 N LEU A 43 -3.516 7.633 1.269 1.00 0.00 N ATOM 987 CA LEU A 43 -3.320 6.280 0.761 1.00 0.00 C ATOM 988 C LEU A 43 -3.871 6.143 -0.655 1.00 0.00 C ATOM 989 O LEU A 43 -4.882 6.754 -1.002 1.00 0.00 O ATOM 990 CB LEU A 43 -3.992 5.262 1.688 1.00 0.00 C ATOM 991 CG LEU A 43 -3.110 4.098 2.131 1.00 0.00 C ATOM 992 CD1 LEU A 43 -1.796 4.618 2.665 1.00 0.00 C ATOM 993 CD2 LEU A 43 -3.824 3.255 3.177 1.00 0.00 C ATOM 0 H LEU A 43 -4.453 7.818 1.629 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.249 6.081 0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.348 5.784 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.869 4.859 1.182 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.906 3.463 1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.174 3.780 2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.283 5.179 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.983 5.271 3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.180 2.430 3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.057 3.872 4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.748 2.858 2.756 1.00 0.00 H new ATOM 1005 N ILE A 44 -3.199 5.334 -1.469 1.00 0.00 N ATOM 1006 CA ILE A 44 -3.620 5.112 -2.847 1.00 0.00 C ATOM 1007 C ILE A 44 -3.458 3.648 -3.240 1.00 0.00 C ATOM 1008 O ILE A 44 -2.433 3.027 -2.957 1.00 0.00 O ATOM 1009 CB ILE A 44 -2.817 5.986 -3.829 1.00 0.00 C ATOM 1010 CG1 ILE A 44 -2.778 7.437 -3.341 1.00 0.00 C ATOM 1011 CG2 ILE A 44 -3.419 5.906 -5.223 1.00 0.00 C ATOM 1012 CD1 ILE A 44 -1.994 8.358 -4.251 1.00 0.00 C ATOM 0 H ILE A 44 -2.360 4.821 -1.197 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.673 5.389 -2.904 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.795 5.610 -3.874 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.798 7.810 -3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.340 7.465 -2.343 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.841 6.529 -5.905 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.399 4.873 -5.569 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.450 6.259 -5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.008 9.369 -3.845 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.964 8.009 -4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.445 8.359 -5.243 1.00 0.00 H new ATOM 1024 N PHE A 45 -4.478 3.101 -3.894 1.00 0.00 N ATOM 1025 CA PHE A 45 -4.451 1.708 -4.325 1.00 0.00 C ATOM 1026 C PHE A 45 -5.085 1.552 -5.703 1.00 0.00 C ATOM 1027 O PHE A 45 -6.222 1.971 -5.925 1.00 0.00 O ATOM 1028 CB PHE A 45 -5.180 0.824 -3.312 1.00 0.00 C ATOM 1029 CG PHE A 45 -4.917 -0.643 -3.497 1.00 0.00 C ATOM 1030 CD1 PHE A 45 -3.619 -1.129 -3.531 1.00 0.00 C ATOM 1031 CD2 PHE A 45 -5.967 -1.537 -3.636 1.00 0.00 C ATOM 1032 CE1 PHE A 45 -3.374 -2.478 -3.700 1.00 0.00 C ATOM 1033 CE2 PHE A 45 -5.728 -2.887 -3.805 1.00 0.00 C ATOM 1034 CZ PHE A 45 -4.430 -3.359 -3.837 1.00 0.00 C ATOM 0 H PHE A 45 -5.333 3.601 -4.137 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.409 1.394 -4.387 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.879 1.115 -2.305 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.252 1.005 -3.389 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.790 -0.445 -3.424 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.984 -1.174 -3.612 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.358 -2.844 -3.725 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.555 -3.573 -3.912 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.241 -4.414 -3.969 1.00 0.00 H new ATOM 1044 N ALA A 46 -4.344 0.947 -6.626 1.00 0.00 N ATOM 1045 CA ALA A 46 -4.834 0.734 -7.983 1.00 0.00 C ATOM 1046 C ALA A 46 -5.247 2.051 -8.633 1.00 0.00 C ATOM 1047 O ALA A 46 -6.153 2.086 -9.466 1.00 0.00 O ATOM 1048 CB ALA A 46 -6.002 -0.241 -7.975 1.00 0.00 C ATOM 0 H ALA A 46 -3.401 0.595 -6.459 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.022 0.308 -8.572 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.358 -0.391 -8.994 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.677 -1.195 -7.560 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.809 0.163 -7.365 1.00 0.00 H new ATOM 1054 N GLY A 47 -4.578 3.131 -8.245 1.00 0.00 N ATOM 1055 CA GLY A 47 -4.890 4.436 -8.799 1.00 0.00 C ATOM 1056 C GLY A 47 -6.156 5.028 -8.212 1.00 0.00 C ATOM 1057 O GLY A 47 -6.820 5.846 -8.848 1.00 0.00 O ATOM 0 H GLY A 47 -3.825 3.126 -7.557 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.057 5.114 -8.615 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.000 4.351 -9.880 1.00 0.00 H new ATOM 1061 N LYS A 48 -6.492 4.613 -6.994 1.00 0.00 N ATOM 1062 CA LYS A 48 -7.688 5.107 -6.320 1.00 0.00 C ATOM 1063 C LYS A 48 -7.325 5.820 -5.022 1.00 0.00 C ATOM 1064 O LYS A 48 -6.453 5.370 -4.279 1.00 0.00 O ATOM 1065 CB LYS A 48 -8.650 3.953 -6.031 1.00 0.00 C ATOM 1066 CG LYS A 48 -8.855 3.021 -7.213 1.00 0.00 C ATOM 1067 CD LYS A 48 -9.344 3.776 -8.438 1.00 0.00 C ATOM 1068 CE LYS A 48 -9.158 2.959 -9.707 1.00 0.00 C ATOM 1069 NZ LYS A 48 -8.751 3.809 -10.860 1.00 0.00 N1+ ATOM 0 H LYS A 48 -5.953 3.936 -6.454 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.178 5.822 -6.981 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.270 3.377 -5.187 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.615 4.362 -5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.918 2.515 -7.446 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.577 2.249 -6.948 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.398 4.026 -8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.802 4.717 -8.527 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.403 2.192 -9.537 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.088 2.443 -9.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.635 3.215 -11.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.483 4.525 -11.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.850 4.281 -10.642 1.00 0.00 H new ATOM 1083 N GLN A 49 -8.000 6.934 -4.756 1.00 0.00 N ATOM 1084 CA GLN A 49 -7.746 7.709 -3.546 1.00 0.00 C ATOM 1085 C GLN A 49 -8.545 7.158 -2.370 1.00 0.00 C ATOM 1086 O GLN A 49 -9.764 7.319 -2.304 1.00 0.00 O ATOM 1087 CB GLN A 49 -8.101 9.179 -3.775 1.00 0.00 C ATOM 1088 CG GLN A 49 -7.325 10.138 -2.888 1.00 0.00 C ATOM 1089 CD GLN A 49 -7.449 9.798 -1.415 1.00 0.00 C ATOM 1090 OE1 GLN A 49 -8.553 9.643 -0.893 1.00 0.00 O ATOM 1091 NE2 GLN A 49 -6.313 9.682 -0.736 1.00 0.00 N ATOM 0 H GLN A 49 -8.725 7.320 -5.360 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.685 7.631 -3.309 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.914 9.431 -4.819 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.168 9.318 -3.600 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.273 10.122 -3.174 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.685 11.153 -3.055 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.420 9.819 -1.209 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.334 9.456 0.258 1.00 0.00 H new ATOM 1100 N LEU A 50 -7.851 6.511 -1.441 1.00 0.00 N ATOM 1101 CA LEU A 50 -8.494 5.937 -0.265 1.00 0.00 C ATOM 1102 C LEU A 50 -8.907 7.031 0.716 1.00 0.00 C ATOM 1103 O LEU A 50 -8.248 7.247 1.734 1.00 0.00 O ATOM 1104 CB LEU A 50 -7.555 4.943 0.423 1.00 0.00 C ATOM 1105 CG LEU A 50 -7.702 3.490 -0.032 1.00 0.00 C ATOM 1106 CD1 LEU A 50 -7.389 3.356 -1.513 1.00 0.00 C ATOM 1107 CD2 LEU A 50 -6.808 2.579 0.790 1.00 0.00 C ATOM 0 H LEU A 50 -6.841 6.371 -1.480 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.390 5.410 -0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.526 5.259 0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.726 4.990 1.498 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.737 3.186 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.500 2.315 -1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.077 3.976 -2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.365 3.681 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.927 1.550 0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.768 2.883 0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.086 2.649 1.842 1.00 0.00 H new ATOM 1119 N GLU A 51 -10.000 7.720 0.402 1.00 0.00 N ATOM 1120 CA GLU A 51 -10.500 8.793 1.254 1.00 0.00 C ATOM 1121 C GLU A 51 -10.831 8.272 2.650 1.00 0.00 C ATOM 1122 O GLU A 51 -11.170 7.102 2.822 1.00 0.00 O ATOM 1123 CB GLU A 51 -11.741 9.432 0.629 1.00 0.00 C ATOM 1124 CG GLU A 51 -11.452 10.191 -0.656 1.00 0.00 C ATOM 1125 CD GLU A 51 -12.536 11.196 -0.995 1.00 0.00 C ATOM 1126 OE1 GLU A 51 -12.617 12.236 -0.308 1.00 0.00 O1- ATOM 1127 OE2 GLU A 51 -13.303 10.944 -1.947 1.00 0.00 O ATOM 0 H GLU A 51 -10.556 7.554 -0.437 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.717 9.546 1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.476 8.654 0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.191 10.114 1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.498 10.709 -0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.349 9.482 -1.477 1.00 0.00 H new ATOM 1134 N ASP A 52 -10.728 9.150 3.643 1.00 0.00 N ATOM 1135 CA ASP A 52 -11.016 8.781 5.025 1.00 0.00 C ATOM 1136 C ASP A 52 -12.416 8.187 5.154 1.00 0.00 C ATOM 1137 O ASP A 52 -12.666 7.344 6.015 1.00 0.00 O ATOM 1138 CB ASP A 52 -10.882 10.001 5.938 1.00 0.00 C ATOM 1139 CG ASP A 52 -9.469 10.182 6.459 1.00 0.00 C ATOM 1140 OD1 ASP A 52 -8.962 9.259 7.129 1.00 0.00 O1- ATOM 1141 OD2 ASP A 52 -8.872 11.247 6.196 1.00 0.00 O ATOM 0 H ASP A 52 -10.447 10.122 3.516 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.293 8.024 5.329 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.182 10.895 5.391 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.566 9.898 6.780 1.00 0.00 H new ATOM 1146 N GLY A 53 -13.324 8.634 4.293 1.00 0.00 N ATOM 1147 CA GLY A 53 -14.687 8.135 4.327 1.00 0.00 C ATOM 1148 C GLY A 53 -14.936 7.058 3.290 1.00 0.00 C ATOM 1149 O GLY A 53 -15.847 7.175 2.470 1.00 0.00 O ATOM 0 H GLY A 53 -13.141 9.332 3.573 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.900 7.736 5.319 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.378 8.962 4.161 1.00 0.00 H new ATOM 1153 N ARG A 54 -14.123 6.006 3.324 1.00 0.00 N ATOM 1154 CA ARG A 54 -14.260 4.904 2.379 1.00 0.00 C ATOM 1155 C ARG A 54 -13.879 3.578 3.029 1.00 0.00 C ATOM 1156 O ARG A 54 -13.346 3.550 4.138 1.00 0.00 O ATOM 1157 CB ARG A 54 -13.388 5.150 1.146 1.00 0.00 C ATOM 1158 CG ARG A 54 -14.071 5.990 0.077 1.00 0.00 C ATOM 1159 CD ARG A 54 -14.682 5.119 -1.008 1.00 0.00 C ATOM 1160 NE ARG A 54 -15.285 5.916 -2.075 1.00 0.00 N ATOM 1161 CZ ARG A 54 -14.583 6.566 -3.000 1.00 0.00 C ATOM 1162 NH1 ARG A 54 -13.257 6.517 -2.995 1.00 0.00 N1+ ATOM 1163 NH2 ARG A 54 -15.211 7.268 -3.934 1.00 0.00 N ATOM 0 H ARG A 54 -13.363 5.894 3.995 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.305 4.850 2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.468 5.647 1.455 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.103 4.190 0.715 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.848 6.602 0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.348 6.674 -0.368 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.913 4.472 -1.429 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.439 4.470 -0.568 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.302 5.977 -2.113 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.769 5.979 -2.279 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.725 7.018 -3.707 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.230 7.309 -3.942 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.675 7.767 -4.644 1.00 0.00 H new ATOM 1177 N THR A 55 -14.156 2.481 2.331 1.00 0.00 N ATOM 1178 CA THR A 55 -13.842 1.150 2.842 1.00 0.00 C ATOM 1179 C THR A 55 -12.818 0.453 1.952 1.00 0.00 C ATOM 1180 O THR A 55 -12.540 0.900 0.840 1.00 0.00 O ATOM 1181 CB THR A 55 -15.113 0.305 2.935 1.00 0.00 C ATOM 1182 OG1 THR A 55 -15.922 0.486 1.786 1.00 0.00 O ATOM 1183 CG2 THR A 55 -15.959 0.629 4.147 1.00 0.00 C ATOM 0 H THR A 55 -14.597 2.487 1.411 1.00 0.00 H new ATOM 0 HA THR A 55 -13.414 1.262 3.838 1.00 0.00 H new ATOM 0 HB THR A 55 -14.769 -0.726 3.017 1.00 0.00 H new ATOM 0 HG1 THR A 55 -16.729 -0.064 1.864 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.845 -0.006 4.152 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.380 0.451 5.053 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.262 1.675 4.110 1.00 0.00 H new ATOM 1191 N LEU A 56 -12.261 -0.646 2.450 1.00 0.00 N ATOM 1192 CA LEU A 56 -11.269 -1.408 1.703 1.00 0.00 C ATOM 1193 C LEU A 56 -11.925 -2.258 0.622 1.00 0.00 C ATOM 1194 O LEU A 56 -11.429 -2.345 -0.501 1.00 0.00 O ATOM 1195 CB LEU A 56 -10.463 -2.296 2.644 1.00 0.00 C ATOM 1196 CG LEU A 56 -9.891 -1.600 3.880 1.00 0.00 C ATOM 1197 CD1 LEU A 56 -8.544 -2.179 4.221 1.00 0.00 C ATOM 1198 CD2 LEU A 56 -9.725 -0.117 3.651 1.00 0.00 C ATOM 0 H LEU A 56 -12.481 -1.029 3.370 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.599 -0.698 1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.099 -3.118 2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.639 -2.736 2.083 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.594 -1.759 4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.145 -1.677 5.102 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.647 -3.245 4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.863 -2.035 3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.317 0.346 4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.044 0.048 2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.694 0.327 3.423 1.00 0.00 H new ATOM 1210 N SER A 57 -13.045 -2.885 0.969 1.00 0.00 N ATOM 1211 CA SER A 57 -13.773 -3.731 0.028 1.00 0.00 C ATOM 1212 C SER A 57 -14.116 -2.965 -1.247 1.00 0.00 C ATOM 1213 O SER A 57 -14.246 -3.554 -2.319 1.00 0.00 O ATOM 1214 CB SER A 57 -15.052 -4.265 0.676 1.00 0.00 C ATOM 1215 OG SER A 57 -15.791 -5.062 -0.233 1.00 0.00 O ATOM 0 H SER A 57 -13.469 -2.823 1.895 1.00 0.00 H new ATOM 0 HA SER A 57 -13.130 -4.569 -0.239 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.798 -4.854 1.557 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.666 -3.431 1.016 1.00 0.00 H new ATOM 0 HG SER A 57 -16.603 -5.392 0.206 1.00 0.00 H new ATOM 1221 N ASP A 58 -14.259 -1.649 -1.122 1.00 0.00 N ATOM 1222 CA ASP A 58 -14.584 -0.805 -2.265 1.00 0.00 C ATOM 1223 C ASP A 58 -13.395 -0.693 -3.214 1.00 0.00 C ATOM 1224 O ASP A 58 -13.565 -0.563 -4.426 1.00 0.00 O ATOM 1225 CB ASP A 58 -15.008 0.587 -1.792 1.00 0.00 C ATOM 1226 CG ASP A 58 -15.752 1.360 -2.864 1.00 0.00 C ATOM 1227 OD1 ASP A 58 -16.977 1.160 -2.998 1.00 0.00 O1- ATOM 1228 OD2 ASP A 58 -15.109 2.165 -3.570 1.00 0.00 O ATOM 0 H ASP A 58 -14.155 -1.145 -0.241 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.412 -1.266 -2.803 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.642 0.491 -0.911 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.125 1.149 -1.489 1.00 0.00 H new ATOM 1233 N TYR A 59 -12.190 -0.743 -2.654 1.00 0.00 N ATOM 1234 CA TYR A 59 -10.972 -0.648 -3.450 1.00 0.00 C ATOM 1235 C TYR A 59 -10.416 -2.031 -3.787 1.00 0.00 C ATOM 1236 O TYR A 59 -9.436 -2.151 -4.522 1.00 0.00 O ATOM 1237 CB TYR A 59 -9.916 0.169 -2.705 1.00 0.00 C ATOM 1238 CG TYR A 59 -10.393 1.543 -2.290 1.00 0.00 C ATOM 1239 CD1 TYR A 59 -10.553 2.556 -3.228 1.00 0.00 C ATOM 1240 CD2 TYR A 59 -10.686 1.827 -0.963 1.00 0.00 C ATOM 1241 CE1 TYR A 59 -10.989 3.812 -2.854 1.00 0.00 C ATOM 1242 CE2 TYR A 59 -11.125 3.081 -0.581 1.00 0.00 C ATOM 1243 CZ TYR A 59 -11.274 4.070 -1.529 1.00 0.00 C ATOM 1244 OH TYR A 59 -11.710 5.320 -1.153 1.00 0.00 O ATOM 0 H TYR A 59 -12.032 -0.849 -1.652 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.224 -0.147 -4.385 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.603 -0.381 -1.817 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.037 0.276 -3.340 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.333 2.358 -4.267 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.569 1.055 -0.217 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.106 4.589 -3.595 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.350 3.285 0.455 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.138 6.003 -1.561 1.00 0.00 H new ATOM 1254 N ASN A 60 -11.044 -3.075 -3.249 1.00 0.00 N ATOM 1255 CA ASN A 60 -10.604 -4.443 -3.499 1.00 0.00 C ATOM 1256 C ASN A 60 -9.193 -4.668 -2.963 1.00 0.00 C ATOM 1257 O ASN A 60 -8.276 -4.998 -3.715 1.00 0.00 O ATOM 1258 CB ASN A 60 -10.652 -4.752 -4.998 1.00 0.00 C ATOM 1259 CG ASN A 60 -11.976 -5.355 -5.421 1.00 0.00 C ATOM 1260 OD1 ASN A 60 -12.856 -5.594 -4.594 1.00 0.00 O ATOM 1261 ND2 ASN A 60 -12.124 -5.606 -6.716 1.00 0.00 N ATOM 0 H ASN A 60 -11.858 -2.998 -2.638 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.282 -5.118 -2.976 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.477 -3.835 -5.561 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.845 -5.440 -5.250 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.994 -6.013 -7.060 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.368 -5.392 -7.367 1.00 0.00 H new ATOM 1268 N ILE A 61 -9.027 -4.487 -1.656 1.00 0.00 N ATOM 1269 CA ILE A 61 -7.729 -4.669 -1.018 1.00 0.00 C ATOM 1270 C ILE A 61 -7.637 -6.034 -0.342 1.00 0.00 C ATOM 1271 O ILE A 61 -8.568 -6.463 0.340 1.00 0.00 O ATOM 1272 CB ILE A 61 -7.457 -3.570 0.026 1.00 0.00 C ATOM 1273 CG1 ILE A 61 -7.736 -2.189 -0.570 1.00 0.00 C ATOM 1274 CG2 ILE A 61 -6.023 -3.657 0.526 1.00 0.00 C ATOM 1275 CD1 ILE A 61 -7.666 -1.067 0.445 1.00 0.00 C ATOM 0 H ILE A 61 -9.776 -4.215 -1.019 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.977 -4.605 -1.804 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.126 -3.721 0.873 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.017 -1.994 -1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.725 -2.193 -1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.847 -2.874 1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.856 -4.631 0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.337 -3.528 -0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.874 -0.117 -0.048 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.404 -1.239 1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.669 -1.036 0.885 1.00 0.00 H new ATOM 1287 N GLN A 62 -6.509 -6.710 -0.534 1.00 0.00 N ATOM 1288 CA GLN A 62 -6.295 -8.026 0.059 1.00 0.00 C ATOM 1289 C GLN A 62 -5.148 -7.989 1.064 1.00 0.00 C ATOM 1290 O GLN A 62 -4.567 -6.936 1.319 1.00 0.00 O ATOM 1291 CB GLN A 62 -6.002 -9.064 -1.029 1.00 0.00 C ATOM 1292 CG GLN A 62 -5.131 -8.538 -2.159 1.00 0.00 C ATOM 1293 CD GLN A 62 -4.973 -9.541 -3.287 1.00 0.00 C ATOM 1294 OE1 GLN A 62 -5.824 -9.637 -4.170 1.00 0.00 O ATOM 1295 NE2 GLN A 62 -3.879 -10.293 -3.259 1.00 0.00 N ATOM 0 H GLN A 62 -5.729 -6.369 -1.095 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.207 -8.311 0.583 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.511 -9.925 -0.575 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.946 -9.418 -1.444 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.567 -7.620 -2.552 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.148 -8.281 -1.766 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.200 -10.178 -2.506 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.717 -10.986 -3.990 1.00 0.00 H new ATOM 1304 N LYS A 63 -4.830 -9.148 1.633 1.00 0.00 N ATOM 1305 CA LYS A 63 -3.754 -9.247 2.612 1.00 0.00 C ATOM 1306 C LYS A 63 -2.406 -8.917 1.976 1.00 0.00 C ATOM 1307 O LYS A 63 -2.160 -9.238 0.813 1.00 0.00 O ATOM 1308 CB LYS A 63 -3.717 -10.649 3.224 1.00 0.00 C ATOM 1309 CG LYS A 63 -3.315 -11.736 2.239 1.00 0.00 C ATOM 1310 CD LYS A 63 -4.229 -12.946 2.335 1.00 0.00 C ATOM 1311 CE LYS A 63 -4.201 -13.557 3.727 1.00 0.00 C ATOM 1312 NZ LYS A 63 -5.299 -13.035 4.586 1.00 0.00 N1+ ATOM 0 H LYS A 63 -5.302 -10.030 1.433 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.948 -8.521 3.402 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.018 -10.652 4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.701 -10.885 3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.344 -11.337 1.225 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.286 -12.040 2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.249 -12.653 2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.923 -13.693 1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.285 -14.641 3.649 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.241 -13.345 4.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.681 -13.807 5.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.929 -12.285 5.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.055 -12.647 3.986 1.00 0.00 H new ATOM 1326 N GLU A 64 -1.539 -8.270 2.749 1.00 0.00 N ATOM 1327 CA GLU A 64 -0.215 -7.891 2.267 1.00 0.00 C ATOM 1328 C GLU A 64 -0.318 -7.011 1.025 1.00 0.00 C ATOM 1329 O GLU A 64 0.571 -7.012 0.175 1.00 0.00 O ATOM 1330 CB GLU A 64 0.619 -9.136 1.958 1.00 0.00 C ATOM 1331 CG GLU A 64 1.009 -9.928 3.195 1.00 0.00 C ATOM 1332 CD GLU A 64 1.896 -11.114 2.870 1.00 0.00 C ATOM 1333 OE1 GLU A 64 2.799 -10.966 2.020 1.00 0.00 O1- ATOM 1334 OE2 GLU A 64 1.688 -12.192 3.467 1.00 0.00 O ATOM 0 H GLU A 64 -1.730 -7.997 3.713 1.00 0.00 H new ATOM 0 HA GLU A 64 0.278 -7.321 3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.056 -9.783 1.285 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.523 -8.835 1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.527 -9.272 3.894 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.107 -10.280 3.697 1.00 0.00 H new ATOM 1341 N SER A 65 -1.411 -6.259 0.928 1.00 0.00 N ATOM 1342 CA SER A 65 -1.630 -5.373 -0.208 1.00 0.00 C ATOM 1343 C SER A 65 -0.748 -4.134 -0.106 1.00 0.00 C ATOM 1344 O SER A 65 -0.744 -3.445 0.914 1.00 0.00 O ATOM 1345 CB SER A 65 -3.102 -4.959 -0.284 1.00 0.00 C ATOM 1346 OG SER A 65 -3.885 -5.970 -0.895 1.00 0.00 O ATOM 0 H SER A 65 -2.158 -6.246 1.623 1.00 0.00 H new ATOM 0 HA SER A 65 -1.365 -5.915 -1.116 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.479 -4.759 0.719 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.194 -4.032 -0.850 1.00 0.00 H new ATOM 0 HG SER A 65 -4.157 -5.677 -1.790 1.00 0.00 H new ATOM 1352 N THR A 66 0.003 -3.859 -1.167 1.00 0.00 N ATOM 1353 CA THR A 66 0.890 -2.703 -1.193 1.00 0.00 C ATOM 1354 C THR A 66 0.098 -1.410 -1.351 1.00 0.00 C ATOM 1355 O THR A 66 -0.326 -1.060 -2.452 1.00 0.00 O ATOM 1356 CB THR A 66 1.909 -2.837 -2.329 1.00 0.00 C ATOM 1357 OG1 THR A 66 1.848 -4.127 -2.912 1.00 0.00 O ATOM 1358 CG2 THR A 66 3.336 -2.605 -1.879 1.00 0.00 C ATOM 0 H THR A 66 0.015 -4.420 -2.019 1.00 0.00 H new ATOM 0 HA THR A 66 1.422 -2.666 -0.242 1.00 0.00 H new ATOM 0 HB THR A 66 1.639 -2.066 -3.051 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.156 -4.140 -3.605 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.008 -2.714 -2.730 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.429 -1.599 -1.470 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.599 -3.334 -1.113 1.00 0.00 H new ATOM 1366 N LEU A 67 -0.098 -0.702 -0.242 1.00 0.00 N ATOM 1367 CA LEU A 67 -0.838 0.554 -0.260 1.00 0.00 C ATOM 1368 C LEU A 67 0.114 1.744 -0.327 1.00 0.00 C ATOM 1369 O LEU A 67 0.927 1.953 0.572 1.00 0.00 O ATOM 1370 CB LEU A 67 -1.732 0.667 0.981 1.00 0.00 C ATOM 1371 CG LEU A 67 -3.021 -0.156 0.939 1.00 0.00 C ATOM 1372 CD1 LEU A 67 -3.953 0.257 2.067 1.00 0.00 C ATOM 1373 CD2 LEU A 67 -3.716 -0.012 -0.407 1.00 0.00 C ATOM 0 H LEU A 67 0.245 -0.977 0.678 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.466 0.563 -1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.154 0.361 1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.995 1.715 1.124 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.757 -1.205 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.865 -0.338 2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.460 0.093 3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.204 1.313 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.629 -0.607 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.965 1.035 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.053 -0.361 -1.198 1.00 0.00 H new ATOM 1385 N HIS A 68 0.010 2.517 -1.403 1.00 0.00 N ATOM 1386 CA HIS A 68 0.864 3.684 -1.593 1.00 0.00 C ATOM 1387 C HIS A 68 0.493 4.799 -0.619 1.00 0.00 C ATOM 1388 O HIS A 68 -0.665 5.208 -0.541 1.00 0.00 O ATOM 1389 CB HIS A 68 0.758 4.192 -3.031 1.00 0.00 C ATOM 1390 CG HIS A 68 0.872 3.108 -4.058 1.00 0.00 C ATOM 1391 ND1 HIS A 68 -0.223 2.518 -4.653 1.00 0.00 N ATOM 1392 CD2 HIS A 68 1.960 2.509 -4.597 1.00 0.00 C ATOM 1393 CE1 HIS A 68 0.187 1.601 -5.512 1.00 0.00 C ATOM 1394 NE2 HIS A 68 1.506 1.577 -5.497 1.00 0.00 N ATOM 0 H HIS A 68 -0.658 2.356 -2.157 1.00 0.00 H new ATOM 0 HA HIS A 68 1.893 3.383 -1.396 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.197 4.703 -3.158 1.00 0.00 H new ATOM 0 HB3 HIS A 68 1.540 4.931 -3.206 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -1.197 2.752 -4.460 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.992 2.724 -4.363 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.449 0.977 -6.122 1.00 0.00 H new ATOM 1403 N LEU A 69 1.486 5.285 0.118 1.00 0.00 N ATOM 1404 CA LEU A 69 1.267 6.355 1.086 1.00 0.00 C ATOM 1405 C LEU A 69 1.824 7.677 0.567 1.00 0.00 C ATOM 1406 O LEU A 69 2.772 7.699 -0.217 1.00 0.00 O ATOM 1407 CB LEU A 69 1.924 6.005 2.422 1.00 0.00 C ATOM 1408 CG LEU A 69 1.303 6.678 3.644 1.00 0.00 C ATOM 1409 CD1 LEU A 69 1.346 5.751 4.851 1.00 0.00 C ATOM 1410 CD2 LEU A 69 2.026 7.974 3.940 1.00 0.00 C ATOM 0 H LEU A 69 2.450 4.956 0.064 1.00 0.00 H new ATOM 0 HA LEU A 69 0.193 6.464 1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.879 4.925 2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.978 6.277 2.373 1.00 0.00 H new ATOM 0 HG LEU A 69 0.258 6.899 3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.898 6.251 5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.789 4.840 4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.381 5.497 5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.578 8.449 4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.077 7.767 4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.944 8.641 3.082 1.00 0.00 H new ATOM 1422 N VAL A 70 1.228 8.779 1.013 1.00 0.00 N ATOM 1423 CA VAL A 70 1.664 10.105 0.597 1.00 0.00 C ATOM 1424 C VAL A 70 1.710 11.063 1.782 1.00 0.00 C ATOM 1425 O VAL A 70 0.699 11.663 2.149 1.00 0.00 O ATOM 1426 CB VAL A 70 0.736 10.689 -0.484 1.00 0.00 C ATOM 1427 CG1 VAL A 70 1.317 11.977 -1.049 1.00 0.00 C ATOM 1428 CG2 VAL A 70 0.498 9.672 -1.591 1.00 0.00 C ATOM 0 H VAL A 70 0.442 8.778 1.663 1.00 0.00 H new ATOM 0 HA VAL A 70 2.666 9.993 0.182 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.224 10.922 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.647 12.375 -1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.429 12.708 -0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.291 11.773 -1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.160 10.103 -2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.450 9.404 -2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.034 8.780 -1.172 1.00 0.00 H new ATOM 1438 N LEU A 71 2.890 11.201 2.379 1.00 0.00 N ATOM 1439 CA LEU A 71 3.069 12.085 3.525 1.00 0.00 C ATOM 1440 C LEU A 71 3.039 13.548 3.092 1.00 0.00 C ATOM 1441 O LEU A 71 3.833 13.973 2.253 1.00 0.00 O ATOM 1442 CB LEU A 71 4.389 11.778 4.233 1.00 0.00 C ATOM 1443 CG LEU A 71 4.647 10.295 4.507 1.00 0.00 C ATOM 1444 CD1 LEU A 71 6.099 10.069 4.900 1.00 0.00 C ATOM 1445 CD2 LEU A 71 3.713 9.785 5.594 1.00 0.00 C ATOM 0 H LEU A 71 3.736 10.712 2.088 1.00 0.00 H new ATOM 0 HA LEU A 71 2.246 11.912 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.208 12.168 3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.409 12.316 5.181 1.00 0.00 H new ATOM 0 HG LEU A 71 4.449 9.736 3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.263 9.009 5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.750 10.397 4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.325 10.639 5.801 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.910 8.729 5.777 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.880 10.349 6.512 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.679 9.911 5.274 1.00 0.00 H new ATOM 1457 N ARG A 72 2.121 14.313 3.671 1.00 0.00 N ATOM 1458 CA ARG A 72 1.988 15.729 3.346 1.00 0.00 C ATOM 1459 C ARG A 72 2.813 16.586 4.301 1.00 0.00 C ATOM 1460 O ARG A 72 3.004 16.229 5.464 1.00 0.00 O ATOM 1461 CB ARG A 72 0.519 16.151 3.402 1.00 0.00 C ATOM 1462 CG ARG A 72 0.230 17.445 2.657 1.00 0.00 C ATOM 1463 CD ARG A 72 -0.861 18.252 3.343 1.00 0.00 C ATOM 1464 NE ARG A 72 -1.602 19.084 2.399 1.00 0.00 N ATOM 1465 CZ ARG A 72 -2.766 19.665 2.679 1.00 0.00 C ATOM 1466 NH1 ARG A 72 -3.326 19.507 3.874 1.00 0.00 N1+ ATOM 1467 NH2 ARG A 72 -3.373 20.407 1.764 1.00 0.00 N ATOM 0 H ARG A 72 1.457 13.977 4.368 1.00 0.00 H new ATOM 0 HA ARG A 72 2.363 15.881 2.334 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.096 15.355 2.982 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.222 16.267 4.444 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.140 18.041 2.595 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.073 17.218 1.635 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.550 17.575 3.848 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.416 18.884 4.111 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.204 19.228 1.471 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.863 18.938 4.583 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.218 19.955 4.082 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.948 20.533 0.845 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.265 20.852 1.978 1.00 0.00 H new