USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 569 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 Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 153:sc= -0.183 (180deg=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 5:sc= 1.12 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 29 HIS : no HD1:sc= -0.492 K(o=-0.49,f=-1.4) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 99:sc= 1.16 USER MOD Single : A 35 CYS SG : rot -2:sc= -0.18 USER MOD Single : A 38 LYS NZ :NH3+ 154:sc= 1.26 (180deg=0.569) USER MOD Single : A 41 LYS NZ :NH3+ 167:sc= -0.0336 (180deg=-0.188) USER MOD Single : A 42 ASN : amide:sc= -1.78 K(o=-1.8,f=-4.3!) USER MOD Single : A 45 SER OG : rot 37:sc= 0.0131 USER MOD Single : A 47 LYS NZ :NH3+ 152:sc= 0.677 (180deg=-0.889!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0.0039) USER MOD Single : A 51 GLN : amide:sc= -0.979 X(o=-0.98,f=-1.2) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 60 ASN : amide:sc= 0.394 K(o=0.39,f=-3.5!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 2.23 (180deg=2.23) USER MOD Single : A 69 THR OG1 : rot 180:sc= -2.41! USER MOD Single : A 73 SER OG : rot -110:sc= 0.672 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot -49:sc= -1.65 USER MOD Single : A 78 LYS NZ :NH3+ -110:sc= 1.22 (180deg=0.335) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0473 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N GLU A 14 -6.931 -3.352 9.032 1.00 0.00 N ATOM 245 CA GLU A 14 -6.499 -4.711 9.228 1.00 0.00 C ATOM 246 C GLU A 14 -5.142 -4.993 8.568 1.00 0.00 C ATOM 247 O GLU A 14 -4.691 -6.129 8.562 1.00 0.00 O ATOM 248 CB GLU A 14 -7.548 -5.715 8.681 1.00 0.00 C ATOM 249 CG GLU A 14 -8.969 -5.595 9.258 1.00 0.00 C ATOM 250 CD GLU A 14 -9.805 -4.466 8.660 1.00 0.00 C ATOM 251 OE1 GLU A 14 -9.650 -3.294 9.061 1.00 0.00 O ATOM 252 OE2 GLU A 14 -10.633 -4.739 7.787 1.00 0.00 O ATOM 0 HA GLU A 14 -6.391 -4.844 10.304 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.606 -5.594 7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.186 -6.726 8.870 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.492 -6.539 9.101 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.898 -5.445 10.335 1.00 0.00 H new ATOM 259 N ILE A 15 -4.464 -3.965 8.061 1.00 0.00 N ATOM 260 CA ILE A 15 -3.153 -4.160 7.443 1.00 0.00 C ATOM 261 C ILE A 15 -2.159 -4.579 8.523 1.00 0.00 C ATOM 262 O ILE A 15 -1.210 -5.340 8.283 1.00 0.00 O ATOM 263 CB ILE A 15 -2.594 -2.881 6.737 1.00 0.00 C ATOM 264 CG1 ILE A 15 -2.347 -1.759 7.735 1.00 0.00 C ATOM 265 CG2 ILE A 15 -3.548 -2.398 5.653 1.00 0.00 C ATOM 266 CD1 ILE A 15 -1.259 -0.831 7.314 1.00 0.00 C ATOM 0 H ILE A 15 -4.795 -3.000 8.065 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.280 -4.924 6.676 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.643 -3.155 6.280 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.268 -1.192 7.870 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.094 -2.191 8.703 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.137 -1.508 5.177 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.677 -3.182 4.907 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.514 -2.158 6.098 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.132 -0.054 8.067 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.328 -1.387 7.206 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.521 -0.373 6.360 1.00 0.00 H new ATOM 278 N LYS A 16 -2.453 -4.136 9.736 1.00 0.00 N ATOM 279 CA LYS A 16 -1.640 -4.381 10.905 1.00 0.00 C ATOM 280 C LYS A 16 -1.898 -5.782 11.441 1.00 0.00 C ATOM 281 O LYS A 16 -1.253 -6.242 12.370 1.00 0.00 O ATOM 282 CB LYS A 16 -1.955 -3.309 11.951 1.00 0.00 C ATOM 283 CG LYS A 16 -3.397 -3.313 12.426 1.00 0.00 C ATOM 284 CD LYS A 16 -3.755 -2.039 13.168 1.00 0.00 C ATOM 285 CE LYS A 16 -2.904 -1.826 14.406 1.00 0.00 C ATOM 286 NZ LYS A 16 -3.247 -0.563 15.086 1.00 0.00 N ATOM 0 H LYS A 16 -3.287 -3.582 9.934 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.582 -4.324 10.650 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.300 -3.451 12.811 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.724 -2.329 11.533 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.060 -3.432 11.569 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.561 -4.171 13.078 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.635 -1.187 12.498 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.806 -2.073 13.455 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.044 -2.660 15.093 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.850 -1.816 14.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.647 -0.448 15.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.090 0.234 14.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.246 -0.584 15.373 1.00 0.00 H new ATOM 300 N LYS A 17 -2.850 -6.441 10.842 1.00 0.00 N ATOM 301 CA LYS A 17 -3.173 -7.795 11.182 1.00 0.00 C ATOM 302 C LYS A 17 -2.718 -8.699 10.043 1.00 0.00 C ATOM 303 O LYS A 17 -2.508 -9.898 10.210 1.00 0.00 O ATOM 304 CB LYS A 17 -4.687 -7.932 11.384 1.00 0.00 C ATOM 305 CG LYS A 17 -5.103 -9.281 11.909 1.00 0.00 C ATOM 306 CD LYS A 17 -6.594 -9.391 12.090 1.00 0.00 C ATOM 307 CE LYS A 17 -6.925 -10.627 12.902 1.00 0.00 C ATOM 308 NZ LYS A 17 -6.310 -10.549 14.249 1.00 0.00 N ATOM 0 H LYS A 17 -3.427 -6.049 10.098 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.671 -8.079 12.107 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.024 -7.161 12.077 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.190 -7.749 10.435 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.765 -10.056 11.221 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.609 -9.465 12.863 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.975 -8.502 12.593 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.084 -9.442 11.118 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.006 -10.728 12.996 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.566 -11.516 12.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.873 -11.109 14.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.341 -10.925 14.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.284 -9.558 14.562 1.00 0.00 H new ATOM 322 N LYS A 18 -2.537 -8.095 8.891 1.00 0.00 N ATOM 323 CA LYS A 18 -2.204 -8.816 7.704 1.00 0.00 C ATOM 324 C LYS A 18 -0.692 -8.905 7.555 1.00 0.00 C ATOM 325 O LYS A 18 -0.110 -9.977 7.695 1.00 0.00 O ATOM 326 CB LYS A 18 -2.765 -8.098 6.496 1.00 0.00 C ATOM 327 CG LYS A 18 -3.242 -9.013 5.390 1.00 0.00 C ATOM 328 CD LYS A 18 -4.669 -9.463 5.652 1.00 0.00 C ATOM 329 CE LYS A 18 -5.619 -8.269 5.579 1.00 0.00 C ATOM 330 NZ LYS A 18 -7.032 -8.639 5.759 1.00 0.00 N ATOM 0 H LYS A 18 -2.619 -7.087 8.760 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.628 -9.818 7.775 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.597 -7.470 6.816 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.999 -7.433 6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.187 -8.495 4.432 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.587 -9.882 5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.961 -10.215 4.919 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.736 -9.931 6.634 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.340 -7.544 6.344 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.499 -7.777 4.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.624 -7.786 5.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.313 -9.309 5.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.158 -9.084 6.691 1.00 0.00 H new ATOM 344 N PHE A 19 -0.049 -7.761 7.301 1.00 0.00 N ATOM 345 CA PHE A 19 1.381 -7.760 7.090 1.00 0.00 C ATOM 346 C PHE A 19 2.059 -7.583 8.454 1.00 0.00 C ATOM 347 O PHE A 19 3.207 -7.979 8.649 1.00 0.00 O ATOM 348 CB PHE A 19 1.766 -6.626 6.111 1.00 0.00 C ATOM 349 CG PHE A 19 3.007 -6.882 5.295 1.00 0.00 C ATOM 350 CD1 PHE A 19 4.253 -6.776 5.857 1.00 0.00 C ATOM 351 CD2 PHE A 19 2.916 -7.199 3.949 1.00 0.00 C ATOM 352 CE1 PHE A 19 5.386 -6.976 5.111 1.00 0.00 C ATOM 353 CE2 PHE A 19 4.052 -7.389 3.202 1.00 0.00 C ATOM 354 CZ PHE A 19 5.294 -7.275 3.786 1.00 0.00 C ATOM 0 H PHE A 19 -0.495 -6.846 7.240 1.00 0.00 H new ATOM 0 HA PHE A 19 1.711 -8.698 6.644 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.931 -6.455 5.431 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.907 -5.707 6.680 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.344 -6.531 6.905 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.946 -7.297 3.485 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.357 -6.896 5.577 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.971 -7.629 2.152 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.188 -7.422 3.198 1.00 0.00 H new ATOM 364 N LYS A 20 1.287 -7.010 9.397 1.00 0.00 N ATOM 365 CA LYS A 20 1.685 -6.771 10.803 1.00 0.00 C ATOM 366 C LYS A 20 2.930 -5.902 10.882 1.00 0.00 C ATOM 367 O LYS A 20 4.053 -6.390 10.927 1.00 0.00 O ATOM 368 CB LYS A 20 1.847 -8.081 11.608 1.00 0.00 C ATOM 369 CG LYS A 20 0.641 -9.013 11.513 1.00 0.00 C ATOM 370 CD LYS A 20 0.713 -10.197 12.487 1.00 0.00 C ATOM 371 CE LYS A 20 1.952 -11.077 12.313 1.00 0.00 C ATOM 372 NZ LYS A 20 2.092 -11.622 10.948 1.00 0.00 N ATOM 0 H LYS A 20 0.339 -6.690 9.198 1.00 0.00 H new ATOM 0 HA LYS A 20 0.867 -6.225 11.274 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.732 -8.609 11.252 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.023 -7.834 12.655 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.267 -8.443 11.711 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.563 -9.393 10.494 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.693 -9.815 13.508 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.177 -10.813 12.359 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.840 -10.495 12.557 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.906 -11.902 13.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.949 -12.209 10.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.260 -12.203 10.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.165 -10.839 10.267 1.00 0.00 H new ATOM 386 N LEU A 21 2.716 -4.617 10.917 1.00 0.00 N ATOM 387 CA LEU A 21 3.798 -3.662 10.780 1.00 0.00 C ATOM 388 C LEU A 21 4.313 -3.192 12.119 1.00 0.00 C ATOM 389 O LEU A 21 5.414 -2.665 12.221 1.00 0.00 O ATOM 390 CB LEU A 21 3.362 -2.459 9.927 1.00 0.00 C ATOM 391 CG LEU A 21 2.881 -2.760 8.484 1.00 0.00 C ATOM 392 CD1 LEU A 21 3.776 -3.774 7.822 1.00 0.00 C ATOM 393 CD2 LEU A 21 1.416 -3.204 8.412 1.00 0.00 C ATOM 0 H LEU A 21 1.795 -4.196 11.040 1.00 0.00 H new ATOM 0 HA LEU A 21 4.614 -4.177 10.274 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.557 -1.944 10.452 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.200 -1.764 9.867 1.00 0.00 H new ATOM 0 HG LEU A 21 2.944 -1.818 7.940 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.419 -3.969 6.811 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.794 -3.387 7.779 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.764 -4.700 8.396 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.145 -3.398 7.374 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.282 -4.113 8.998 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.777 -2.417 8.813 1.00 0.00 H new ATOM 405 N THR A 22 3.489 -3.359 13.130 1.00 0.00 N ATOM 406 CA THR A 22 3.735 -3.009 14.536 1.00 0.00 C ATOM 407 C THR A 22 3.867 -1.493 14.810 1.00 0.00 C ATOM 408 O THR A 22 3.936 -1.071 15.971 1.00 0.00 O ATOM 409 CB THR A 22 4.899 -3.820 15.206 1.00 0.00 C ATOM 410 OG1 THR A 22 6.156 -3.573 14.549 1.00 0.00 O ATOM 411 CG2 THR A 22 4.602 -5.312 15.159 1.00 0.00 C ATOM 0 H THR A 22 2.565 -3.769 12.996 1.00 0.00 H new ATOM 0 HA THR A 22 2.814 -3.323 15.028 1.00 0.00 H new ATOM 0 HB THR A 22 4.971 -3.489 16.242 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.036 -2.887 13.859 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.419 -5.861 15.628 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.674 -5.515 15.694 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.500 -5.630 14.121 1.00 0.00 H new ATOM 459 N GLN A 26 7.678 3.617 7.134 1.00 0.00 N ATOM 460 CA GLN A 26 7.890 4.624 6.128 1.00 0.00 C ATOM 461 C GLN A 26 8.247 3.979 4.803 1.00 0.00 C ATOM 462 O GLN A 26 8.515 2.775 4.733 1.00 0.00 O ATOM 463 CB GLN A 26 9.018 5.573 6.535 1.00 0.00 C ATOM 464 CG GLN A 26 10.408 4.961 6.439 1.00 0.00 C ATOM 465 CD GLN A 26 11.488 5.917 6.871 1.00 0.00 C ATOM 466 OE1 GLN A 26 11.268 6.784 7.715 1.00 0.00 O ATOM 467 NE2 GLN A 26 12.649 5.778 6.310 1.00 0.00 N ATOM 0 HA GLN A 26 6.964 5.190 6.026 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.978 6.460 5.903 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.848 5.904 7.559 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.451 4.065 7.058 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.594 4.648 5.412 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.795 5.047 5.614 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.416 6.400 6.565 1.00 0.00 H new ATOM 476 N VAL A 27 8.267 4.785 3.774 1.00 0.00 N ATOM 477 CA VAL A 27 8.639 4.347 2.461 1.00 0.00 C ATOM 478 C VAL A 27 10.107 4.057 2.403 1.00 0.00 C ATOM 479 O VAL A 27 10.944 4.849 2.863 1.00 0.00 O ATOM 480 CB VAL A 27 8.279 5.397 1.405 1.00 0.00 C ATOM 481 CG1 VAL A 27 8.873 5.070 0.050 1.00 0.00 C ATOM 482 CG2 VAL A 27 6.801 5.505 1.293 1.00 0.00 C ATOM 0 H VAL A 27 8.022 5.774 3.828 1.00 0.00 H new ATOM 0 HA VAL A 27 8.083 3.435 2.246 1.00 0.00 H new ATOM 0 HB VAL A 27 8.701 6.349 1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.591 5.842 -0.667 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.959 5.028 0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.496 4.105 -0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.547 6.252 0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.387 4.540 1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.384 5.802 2.255 1.00 0.00 H new ATOM 492 N ILE A 28 10.401 2.947 1.854 1.00 0.00 N ATOM 493 CA ILE A 28 11.738 2.497 1.681 1.00 0.00 C ATOM 494 C ILE A 28 12.202 2.760 0.246 1.00 0.00 C ATOM 495 O ILE A 28 13.373 3.043 0.015 1.00 0.00 O ATOM 496 CB ILE A 28 11.853 0.987 2.031 1.00 0.00 C ATOM 497 CG1 ILE A 28 11.472 0.744 3.502 1.00 0.00 C ATOM 498 CG2 ILE A 28 13.239 0.442 1.743 1.00 0.00 C ATOM 499 CD1 ILE A 28 12.332 1.492 4.513 1.00 0.00 C ATOM 0 H ILE A 28 9.700 2.297 1.497 1.00 0.00 H new ATOM 0 HA ILE A 28 12.386 3.052 2.360 1.00 0.00 H new ATOM 0 HB ILE A 28 11.153 0.450 1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.431 1.033 3.646 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.538 -0.324 3.709 1.00 0.00 H new ATOM 0 HG21 ILE A 28 13.275 -0.616 2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 28 13.465 0.564 0.684 1.00 0.00 H new ATOM 0 HG23 ILE A 28 13.974 0.986 2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.991 1.261 5.522 1.00 0.00 H new ATOM 0 HD12 ILE A 28 13.372 1.187 4.402 1.00 0.00 H new ATOM 0 HD13 ILE A 28 12.248 2.565 4.339 1.00 0.00 H new ATOM 511 N HIS A 29 11.265 2.741 -0.711 1.00 0.00 N ATOM 512 CA HIS A 29 11.606 2.897 -2.147 1.00 0.00 C ATOM 513 C HIS A 29 10.372 3.189 -2.934 1.00 0.00 C ATOM 514 O HIS A 29 9.260 2.913 -2.482 1.00 0.00 O ATOM 515 CB HIS A 29 12.266 1.632 -2.787 1.00 0.00 C ATOM 516 CG HIS A 29 13.697 1.348 -2.418 1.00 0.00 C ATOM 517 ND1 HIS A 29 14.093 0.206 -1.751 1.00 0.00 N ATOM 518 CD2 HIS A 29 14.834 2.047 -2.660 1.00 0.00 C ATOM 519 CE1 HIS A 29 15.401 0.220 -1.603 1.00 0.00 C ATOM 520 NE2 HIS A 29 15.871 1.320 -2.145 1.00 0.00 N ATOM 0 H HIS A 29 10.269 2.620 -0.527 1.00 0.00 H new ATOM 0 HA HIS A 29 12.327 3.714 -2.182 1.00 0.00 H new ATOM 0 HB2 HIS A 29 11.667 0.763 -2.515 1.00 0.00 H new ATOM 0 HB3 HIS A 29 12.209 1.732 -3.871 1.00 0.00 H new ATOM 0 HD2 HIS A 29 14.906 2.999 -3.165 1.00 0.00 H new ATOM 0 HE1 HIS A 29 15.989 -0.545 -1.117 1.00 0.00 H new ATOM 0 HE2 HIS A 29 16.854 1.589 -2.177 1.00 0.00 H new ATOM 529 N LEU A 30 10.559 3.698 -4.107 1.00 0.00 N ATOM 530 CA LEU A 30 9.465 3.975 -4.996 1.00 0.00 C ATOM 531 C LEU A 30 9.395 2.894 -6.048 1.00 0.00 C ATOM 532 O LEU A 30 10.319 2.706 -6.821 1.00 0.00 O ATOM 533 CB LEU A 30 9.583 5.361 -5.665 1.00 0.00 C ATOM 534 CG LEU A 30 9.368 6.611 -4.779 1.00 0.00 C ATOM 535 CD1 LEU A 30 10.467 6.790 -3.740 1.00 0.00 C ATOM 536 CD2 LEU A 30 9.257 7.839 -5.646 1.00 0.00 C ATOM 0 H LEU A 30 11.477 3.937 -4.483 1.00 0.00 H new ATOM 0 HA LEU A 30 8.549 3.987 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.575 5.434 -6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.862 5.401 -6.481 1.00 0.00 H new ATOM 0 HG LEU A 30 8.438 6.464 -4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.265 7.682 -3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.495 5.918 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.428 6.898 -4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.106 8.716 -5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.173 7.961 -6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.412 7.730 -6.325 1.00 0.00 H new ATOM 548 N ALA A 31 8.328 2.180 -6.044 1.00 0.00 N ATOM 549 CA ALA A 31 8.102 1.119 -6.991 1.00 0.00 C ATOM 550 C ALA A 31 7.243 1.582 -8.121 1.00 0.00 C ATOM 551 O ALA A 31 6.492 2.516 -8.006 1.00 0.00 O ATOM 552 CB ALA A 31 7.487 -0.106 -6.342 1.00 0.00 C ATOM 0 H ALA A 31 7.567 2.309 -5.377 1.00 0.00 H new ATOM 0 HA ALA A 31 9.079 0.835 -7.381 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.335 -0.879 -7.095 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.155 -0.481 -5.567 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.528 0.161 -5.897 1.00 0.00 H new ATOM 558 N LYS A 32 7.385 0.952 -9.205 1.00 0.00 N ATOM 559 CA LYS A 32 6.624 1.242 -10.351 1.00 0.00 C ATOM 560 C LYS A 32 5.656 0.112 -10.527 1.00 0.00 C ATOM 561 O LYS A 32 6.062 -1.054 -10.425 1.00 0.00 O ATOM 562 CB LYS A 32 7.553 1.357 -11.549 1.00 0.00 C ATOM 563 CG LYS A 32 6.909 1.856 -12.832 1.00 0.00 C ATOM 564 CD LYS A 32 7.958 1.995 -13.933 1.00 0.00 C ATOM 565 CE LYS A 32 9.117 2.883 -13.490 1.00 0.00 C ATOM 566 NZ LYS A 32 10.188 2.954 -14.493 1.00 0.00 N ATOM 0 H LYS A 32 8.055 0.193 -9.332 1.00 0.00 H new ATOM 0 HA LYS A 32 6.085 2.184 -10.255 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.371 2.029 -11.289 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.993 0.378 -11.741 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.129 1.163 -13.149 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.428 2.818 -12.655 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.336 1.009 -14.204 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.496 2.416 -14.826 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.744 3.888 -13.290 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.525 2.502 -12.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.951 3.569 -14.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.565 2.000 -14.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.808 3.343 -15.380 1.00 0.00 H new ATOM 580 N ALA A 33 4.385 0.421 -10.695 1.00 0.00 N ATOM 581 CA ALA A 33 3.419 -0.603 -10.991 1.00 0.00 C ATOM 582 C ALA A 33 3.753 -1.195 -12.333 1.00 0.00 C ATOM 583 O ALA A 33 3.619 -0.531 -13.358 1.00 0.00 O ATOM 584 CB ALA A 33 2.019 -0.039 -11.016 1.00 0.00 C ATOM 0 H ALA A 33 4.006 1.366 -10.631 1.00 0.00 H new ATOM 0 HA ALA A 33 3.456 -1.367 -10.215 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.310 -0.835 -11.242 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.783 0.392 -10.043 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.952 0.735 -11.781 1.00 0.00 H new ATOM 590 N CYS A 34 4.212 -2.409 -12.316 1.00 0.00 N ATOM 591 CA CYS A 34 4.616 -3.096 -13.516 1.00 0.00 C ATOM 592 C CYS A 34 3.409 -3.793 -14.119 1.00 0.00 C ATOM 593 O CYS A 34 3.467 -4.354 -15.220 1.00 0.00 O ATOM 594 CB CYS A 34 5.707 -4.119 -13.166 1.00 0.00 C ATOM 595 SG CYS A 34 6.485 -4.931 -14.580 1.00 0.00 S ATOM 0 H CYS A 34 4.320 -2.960 -11.464 1.00 0.00 H new ATOM 0 HA CYS A 34 5.015 -2.387 -14.242 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.481 -3.616 -12.586 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.272 -4.884 -12.523 1.00 0.00 H new ATOM 0 HG CYS A 34 7.618 -4.351 -14.844 1.00 0.00 H new ATOM 601 N CYS A 35 2.316 -3.741 -13.395 1.00 0.00 N ATOM 602 CA CYS A 35 1.092 -4.376 -13.771 1.00 0.00 C ATOM 603 C CYS A 35 -0.087 -3.572 -13.237 1.00 0.00 C ATOM 604 O CYS A 35 0.090 -2.690 -12.402 1.00 0.00 O ATOM 605 CB CYS A 35 1.047 -5.800 -13.192 1.00 0.00 C ATOM 606 SG CYS A 35 2.403 -6.868 -13.735 1.00 0.00 S ATOM 0 H CYS A 35 2.260 -3.241 -12.507 1.00 0.00 H new ATOM 0 HA CYS A 35 1.033 -4.427 -14.858 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.062 -5.738 -12.104 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.101 -6.263 -13.471 1.00 0.00 H new ATOM 0 HG CYS A 35 3.161 -6.218 -14.567 1.00 0.00 H new ATOM 612 N ASP A 36 -1.246 -3.837 -13.781 1.00 0.00 N ATOM 613 CA ASP A 36 -2.523 -3.282 -13.331 1.00 0.00 C ATOM 614 C ASP A 36 -3.352 -4.334 -12.663 1.00 0.00 C ATOM 615 O ASP A 36 -3.910 -5.232 -13.307 1.00 0.00 O ATOM 616 CB ASP A 36 -3.289 -2.614 -14.468 1.00 0.00 C ATOM 617 CG ASP A 36 -4.802 -2.483 -14.252 1.00 0.00 C ATOM 618 OD1 ASP A 36 -5.239 -1.527 -13.611 1.00 0.00 O ATOM 619 OD2 ASP A 36 -5.578 -3.320 -14.788 1.00 0.00 O ATOM 0 H ASP A 36 -1.344 -4.466 -14.578 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.302 -2.505 -12.599 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.874 -1.619 -14.628 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.117 -3.182 -15.382 1.00 0.00 H new ATOM 624 N VAL A 37 -3.324 -4.287 -11.393 1.00 0.00 N ATOM 625 CA VAL A 37 -4.085 -5.192 -10.569 1.00 0.00 C ATOM 626 C VAL A 37 -5.134 -4.394 -9.771 1.00 0.00 C ATOM 627 O VAL A 37 -4.893 -3.241 -9.401 1.00 0.00 O ATOM 628 CB VAL A 37 -3.177 -6.046 -9.640 1.00 0.00 C ATOM 629 CG1 VAL A 37 -2.503 -5.206 -8.622 1.00 0.00 C ATOM 630 CG2 VAL A 37 -3.922 -7.166 -8.974 1.00 0.00 C ATOM 0 H VAL A 37 -2.768 -3.614 -10.866 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.599 -5.902 -11.217 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.420 -6.493 -10.285 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.876 -5.834 -7.989 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.884 -4.459 -9.119 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.253 -4.706 -8.008 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.239 -7.729 -8.338 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.729 -6.756 -8.367 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.339 -7.828 -9.733 1.00 0.00 H new ATOM 640 N LYS A 38 -6.259 -4.985 -9.496 1.00 0.00 N ATOM 641 CA LYS A 38 -7.305 -4.292 -8.771 1.00 0.00 C ATOM 642 C LYS A 38 -7.565 -4.904 -7.392 1.00 0.00 C ATOM 643 O LYS A 38 -8.673 -4.813 -6.844 1.00 0.00 O ATOM 644 CB LYS A 38 -8.603 -4.134 -9.610 1.00 0.00 C ATOM 645 CG LYS A 38 -9.028 -5.335 -10.456 1.00 0.00 C ATOM 646 CD LYS A 38 -8.278 -5.406 -11.801 1.00 0.00 C ATOM 647 CE LYS A 38 -8.585 -4.191 -12.681 1.00 0.00 C ATOM 648 NZ LYS A 38 -7.965 -4.281 -14.031 1.00 0.00 N ATOM 0 H LYS A 38 -6.484 -5.945 -9.759 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.936 -3.282 -8.589 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.420 -3.892 -8.930 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.476 -3.279 -10.274 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.848 -6.252 -9.895 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.100 -5.281 -10.644 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.205 -5.462 -11.618 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.559 -6.318 -12.328 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.665 -4.091 -12.789 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.229 -3.289 -12.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.520 -3.717 -14.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.992 -3.915 -13.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.949 -5.274 -14.340 1.00 0.00 H new ATOM 662 N GLY A 39 -6.523 -5.472 -6.806 1.00 0.00 N ATOM 663 CA GLY A 39 -6.648 -6.009 -5.465 1.00 0.00 C ATOM 664 C GLY A 39 -7.097 -7.448 -5.440 1.00 0.00 C ATOM 665 O GLY A 39 -8.156 -7.765 -4.904 1.00 0.00 O ATOM 0 H GLY A 39 -5.600 -5.571 -7.229 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.687 -5.926 -4.957 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.359 -5.404 -4.903 1.00 0.00 H new ATOM 669 N GLY A 40 -6.331 -8.297 -6.043 1.00 0.00 N ATOM 670 CA GLY A 40 -6.662 -9.697 -6.086 1.00 0.00 C ATOM 671 C GLY A 40 -5.821 -10.437 -5.099 1.00 0.00 C ATOM 672 O GLY A 40 -4.643 -10.110 -4.951 1.00 0.00 O ATOM 0 H GLY A 40 -5.463 -8.050 -6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.719 -9.839 -5.859 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.496 -10.090 -7.089 1.00 0.00 H new ATOM 676 N LYS A 41 -6.411 -11.425 -4.414 1.00 0.00 N ATOM 677 CA LYS A 41 -5.725 -12.180 -3.347 1.00 0.00 C ATOM 678 C LYS A 41 -5.307 -11.232 -2.230 1.00 0.00 C ATOM 679 O LYS A 41 -4.320 -11.484 -1.528 1.00 0.00 O ATOM 680 CB LYS A 41 -4.487 -12.959 -3.869 1.00 0.00 C ATOM 681 CG LYS A 41 -4.766 -14.211 -4.698 1.00 0.00 C ATOM 682 CD LYS A 41 -5.433 -13.927 -6.025 1.00 0.00 C ATOM 683 CE LYS A 41 -5.624 -15.207 -6.817 1.00 0.00 C ATOM 684 NZ LYS A 41 -6.522 -16.163 -6.135 1.00 0.00 N ATOM 0 H LYS A 41 -7.372 -11.725 -4.579 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.433 -12.917 -2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.886 -12.278 -4.472 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.879 -13.247 -3.011 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.826 -14.733 -4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.399 -14.885 -4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.399 -13.450 -5.857 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.827 -13.226 -6.599 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.032 -14.966 -7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.655 -15.677 -6.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.797 -16.915 -6.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.029 -16.583 -5.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.373 -15.665 -5.804 1.00 0.00 H new ATOM 698 N ASN A 42 -6.110 -10.180 -2.057 1.00 0.00 N ATOM 699 CA ASN A 42 -5.880 -9.098 -1.102 1.00 0.00 C ATOM 700 C ASN A 42 -4.591 -8.369 -1.451 1.00 0.00 C ATOM 701 O ASN A 42 -3.476 -8.800 -1.097 1.00 0.00 O ATOM 702 CB ASN A 42 -5.907 -9.601 0.339 1.00 0.00 C ATOM 703 CG ASN A 42 -5.876 -8.498 1.376 1.00 0.00 C ATOM 704 OD1 ASN A 42 -5.351 -8.698 2.466 1.00 0.00 O ATOM 705 ND2 ASN A 42 -6.470 -7.358 1.083 1.00 0.00 N ATOM 0 H ASN A 42 -6.966 -10.055 -2.597 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.697 -8.380 -1.176 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.805 -10.200 0.487 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.054 -10.260 0.499 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.503 -6.608 1.773 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.897 -7.226 0.166 1.00 0.00 H new ATOM 712 N GLU A 43 -4.743 -7.290 -2.182 1.00 0.00 N ATOM 713 CA GLU A 43 -3.632 -6.604 -2.771 1.00 0.00 C ATOM 714 C GLU A 43 -3.952 -5.111 -2.895 1.00 0.00 C ATOM 715 O GLU A 43 -4.980 -4.646 -2.401 1.00 0.00 O ATOM 716 CB GLU A 43 -3.372 -7.248 -4.136 1.00 0.00 C ATOM 717 CG GLU A 43 -1.979 -7.065 -4.691 1.00 0.00 C ATOM 718 CD GLU A 43 -1.563 -8.259 -5.492 1.00 0.00 C ATOM 719 OE1 GLU A 43 -1.192 -9.275 -4.873 1.00 0.00 O ATOM 720 OE2 GLU A 43 -1.593 -8.221 -6.742 1.00 0.00 O ATOM 0 H GLU A 43 -5.649 -6.866 -2.382 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.737 -6.687 -2.155 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.575 -8.316 -4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.085 -6.839 -4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.947 -6.173 -5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.275 -6.907 -3.874 1.00 0.00 H new ATOM 727 N LEU A 44 -3.083 -4.381 -3.529 1.00 0.00 N ATOM 728 CA LEU A 44 -3.233 -2.978 -3.741 1.00 0.00 C ATOM 729 C LEU A 44 -3.849 -2.785 -5.121 1.00 0.00 C ATOM 730 O LEU A 44 -3.642 -3.609 -6.010 1.00 0.00 O ATOM 731 CB LEU A 44 -1.815 -2.382 -3.758 1.00 0.00 C ATOM 732 CG LEU A 44 -1.699 -0.869 -3.839 1.00 0.00 C ATOM 733 CD1 LEU A 44 -2.316 -0.225 -2.637 1.00 0.00 C ATOM 734 CD2 LEU A 44 -0.257 -0.463 -3.958 1.00 0.00 C ATOM 0 H LEU A 44 -2.223 -4.761 -3.924 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.853 -2.511 -2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.299 -2.713 -2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.280 -2.808 -4.607 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.236 -0.532 -4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.222 0.858 -2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.371 -0.494 -2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.805 -0.569 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.188 0.623 -4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.294 -0.816 -3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.171 -0.901 -4.859 1.00 0.00 H new ATOM 746 N SER A 45 -4.639 -1.757 -5.284 1.00 0.00 N ATOM 747 CA SER A 45 -5.225 -1.486 -6.558 1.00 0.00 C ATOM 748 C SER A 45 -4.447 -0.381 -7.269 1.00 0.00 C ATOM 749 O SER A 45 -4.371 0.767 -6.794 1.00 0.00 O ATOM 750 CB SER A 45 -6.732 -1.182 -6.431 1.00 0.00 C ATOM 751 OG SER A 45 -7.003 -0.173 -5.463 1.00 0.00 O ATOM 0 H SER A 45 -4.888 -1.097 -4.547 1.00 0.00 H new ATOM 0 HA SER A 45 -5.155 -2.379 -7.179 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.119 -0.866 -7.400 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.262 -2.095 -6.159 1.00 0.00 H new ATOM 0 HG SER A 45 -6.299 0.508 -5.494 1.00 0.00 H new ATOM 757 N PHE A 46 -3.850 -0.740 -8.365 1.00 0.00 N ATOM 758 CA PHE A 46 -3.019 0.146 -9.130 1.00 0.00 C ATOM 759 C PHE A 46 -3.043 -0.255 -10.573 1.00 0.00 C ATOM 760 O PHE A 46 -3.495 -1.344 -10.913 1.00 0.00 O ATOM 761 CB PHE A 46 -1.572 0.157 -8.591 1.00 0.00 C ATOM 762 CG PHE A 46 -0.951 -1.205 -8.415 1.00 0.00 C ATOM 763 CD1 PHE A 46 -0.280 -1.822 -9.447 1.00 0.00 C ATOM 764 CD2 PHE A 46 -1.020 -1.846 -7.202 1.00 0.00 C ATOM 765 CE1 PHE A 46 0.307 -3.055 -9.274 1.00 0.00 C ATOM 766 CE2 PHE A 46 -0.440 -3.073 -7.021 1.00 0.00 C ATOM 767 CZ PHE A 46 0.226 -3.680 -8.056 1.00 0.00 C ATOM 0 H PHE A 46 -3.927 -1.676 -8.763 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.413 1.158 -9.036 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.950 0.739 -9.272 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.561 0.672 -7.631 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.213 -1.331 -10.407 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.539 -1.376 -6.380 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.829 -3.528 -10.093 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.507 -3.564 -6.062 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.685 -4.647 -7.912 1.00 0.00 H new ATOM 777 N LYS A 47 -2.525 0.585 -11.398 1.00 0.00 N ATOM 778 CA LYS A 47 -2.531 0.379 -12.807 1.00 0.00 C ATOM 779 C LYS A 47 -1.090 0.462 -13.238 1.00 0.00 C ATOM 780 O LYS A 47 -0.317 1.161 -12.597 1.00 0.00 O ATOM 781 CB LYS A 47 -3.405 1.489 -13.459 1.00 0.00 C ATOM 782 CG LYS A 47 -3.901 1.206 -14.878 1.00 0.00 C ATOM 783 CD LYS A 47 -2.885 1.443 -16.002 1.00 0.00 C ATOM 784 CE LYS A 47 -2.630 2.935 -16.296 1.00 0.00 C ATOM 785 NZ LYS A 47 -1.729 3.614 -15.325 1.00 0.00 N ATOM 0 H LYS A 47 -2.075 1.453 -11.108 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.951 -0.581 -13.106 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.271 1.663 -12.821 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.829 2.414 -13.475 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.232 0.169 -14.926 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.775 1.829 -15.068 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.942 0.967 -15.734 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.241 0.957 -16.911 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.202 3.027 -17.294 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.587 3.457 -16.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.238 4.400 -15.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.290 3.984 -14.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.029 2.934 -14.967 1.00 0.00 H new ATOM 799 N GLN A 48 -0.711 -0.279 -14.253 1.00 0.00 N ATOM 800 CA GLN A 48 0.657 -0.260 -14.750 1.00 0.00 C ATOM 801 C GLN A 48 1.108 1.199 -15.015 1.00 0.00 C ATOM 802 O GLN A 48 0.442 1.944 -15.734 1.00 0.00 O ATOM 803 CB GLN A 48 0.745 -1.098 -16.020 1.00 0.00 C ATOM 804 CG GLN A 48 2.155 -1.394 -16.480 1.00 0.00 C ATOM 805 CD GLN A 48 2.171 -2.100 -17.815 1.00 0.00 C ATOM 806 OE1 GLN A 48 2.119 -3.325 -17.889 1.00 0.00 O ATOM 807 NE2 GLN A 48 2.274 -1.348 -18.872 1.00 0.00 N ATOM 0 H GLN A 48 -1.333 -0.910 -14.759 1.00 0.00 H new ATOM 0 HA GLN A 48 1.324 -0.687 -14.002 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.225 -2.041 -15.854 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.217 -0.579 -16.820 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.717 -0.463 -16.554 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.658 -2.011 -15.736 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.315 -0.334 -18.774 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.314 -1.773 -19.798 1.00 0.00 H new ATOM 816 N GLY A 49 2.176 1.605 -14.360 1.00 0.00 N ATOM 817 CA GLY A 49 2.674 2.961 -14.497 1.00 0.00 C ATOM 818 C GLY A 49 2.031 3.966 -13.533 1.00 0.00 C ATOM 819 O GLY A 49 1.936 5.144 -13.852 1.00 0.00 O ATOM 0 H GLY A 49 2.717 1.016 -13.727 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.752 2.958 -14.336 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.505 3.297 -15.520 1.00 0.00 H new ATOM 823 N GLU A 50 1.553 3.505 -12.376 1.00 0.00 N ATOM 824 CA GLU A 50 0.985 4.424 -11.357 1.00 0.00 C ATOM 825 C GLU A 50 2.040 5.016 -10.435 1.00 0.00 C ATOM 826 O GLU A 50 1.903 6.158 -9.980 1.00 0.00 O ATOM 827 CB GLU A 50 -0.078 3.745 -10.497 1.00 0.00 C ATOM 828 CG GLU A 50 -1.395 3.512 -11.185 1.00 0.00 C ATOM 829 CD GLU A 50 -1.999 4.755 -11.741 1.00 0.00 C ATOM 830 OE1 GLU A 50 -2.611 5.519 -10.978 1.00 0.00 O ATOM 831 OE2 GLU A 50 -1.879 4.988 -12.955 1.00 0.00 O ATOM 0 H GLU A 50 1.542 2.520 -12.113 1.00 0.00 H new ATOM 0 HA GLU A 50 0.531 5.230 -11.934 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.311 2.786 -10.154 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.251 4.355 -9.610 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.253 2.793 -11.992 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.092 3.063 -10.477 1.00 0.00 H new ATOM 838 N GLN A 51 3.078 4.232 -10.180 1.00 0.00 N ATOM 839 CA GLN A 51 4.149 4.575 -9.228 1.00 0.00 C ATOM 840 C GLN A 51 3.667 4.442 -7.775 1.00 0.00 C ATOM 841 O GLN A 51 2.816 5.198 -7.283 1.00 0.00 O ATOM 842 CB GLN A 51 4.834 5.928 -9.534 1.00 0.00 C ATOM 843 CG GLN A 51 5.788 6.422 -8.456 1.00 0.00 C ATOM 844 CD GLN A 51 6.602 7.614 -8.907 1.00 0.00 C ATOM 845 OE1 GLN A 51 6.953 7.741 -10.079 1.00 0.00 O ATOM 846 NE2 GLN A 51 6.887 8.505 -8.007 1.00 0.00 N ATOM 0 H GLN A 51 3.211 3.326 -10.629 1.00 0.00 H new ATOM 0 HA GLN A 51 4.942 3.839 -9.363 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.384 5.837 -10.471 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.063 6.682 -9.689 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.218 6.690 -7.566 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.461 5.613 -8.172 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.582 8.372 -7.043 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.416 9.338 -8.264 1.00 0.00 H new ATOM 855 N ILE A 52 4.223 3.472 -7.119 1.00 0.00 N ATOM 856 CA ILE A 52 3.846 3.055 -5.800 1.00 0.00 C ATOM 857 C ILE A 52 5.051 3.248 -4.889 1.00 0.00 C ATOM 858 O ILE A 52 6.120 3.588 -5.353 1.00 0.00 O ATOM 859 CB ILE A 52 3.461 1.541 -5.820 1.00 0.00 C ATOM 860 CG1 ILE A 52 2.561 1.244 -7.022 1.00 0.00 C ATOM 861 CG2 ILE A 52 2.778 1.114 -4.519 1.00 0.00 C ATOM 862 CD1 ILE A 52 1.902 -0.101 -6.973 1.00 0.00 C ATOM 0 H ILE A 52 4.990 2.921 -7.506 1.00 0.00 H new ATOM 0 HA ILE A 52 2.994 3.637 -5.447 1.00 0.00 H new ATOM 0 HB ILE A 52 4.380 0.962 -5.911 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.791 2.013 -7.085 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.155 1.313 -7.933 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.525 0.055 -4.571 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.453 1.285 -3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.868 1.697 -4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.282 -0.235 -7.859 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.665 -0.879 -6.943 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.279 -0.169 -6.081 1.00 0.00 H new ATOM 874 N GLU A 53 4.885 3.054 -3.624 1.00 0.00 N ATOM 875 CA GLU A 53 5.965 3.159 -2.698 1.00 0.00 C ATOM 876 C GLU A 53 5.968 1.902 -1.863 1.00 0.00 C ATOM 877 O GLU A 53 4.898 1.450 -1.414 1.00 0.00 O ATOM 878 CB GLU A 53 5.758 4.353 -1.807 1.00 0.00 C ATOM 879 CG GLU A 53 5.487 5.638 -2.564 1.00 0.00 C ATOM 880 CD GLU A 53 4.954 6.707 -1.681 1.00 0.00 C ATOM 881 OE1 GLU A 53 3.761 6.629 -1.301 1.00 0.00 O ATOM 882 OE2 GLU A 53 5.686 7.637 -1.345 1.00 0.00 O ATOM 0 H GLU A 53 3.989 2.816 -3.199 1.00 0.00 H new ATOM 0 HA GLU A 53 6.912 3.279 -3.225 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.923 4.154 -1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.642 4.488 -1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.408 5.983 -3.033 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.775 5.442 -3.366 1.00 0.00 H new ATOM 889 N ILE A 54 7.127 1.328 -1.687 1.00 0.00 N ATOM 890 CA ILE A 54 7.264 0.129 -0.897 1.00 0.00 C ATOM 891 C ILE A 54 7.561 0.533 0.538 1.00 0.00 C ATOM 892 O ILE A 54 8.425 1.391 0.789 1.00 0.00 O ATOM 893 CB ILE A 54 8.391 -0.836 -1.450 1.00 0.00 C ATOM 894 CG1 ILE A 54 8.505 -2.109 -0.628 1.00 0.00 C ATOM 895 CG2 ILE A 54 9.737 -0.173 -1.517 1.00 0.00 C ATOM 896 CD1 ILE A 54 7.309 -2.999 -0.704 1.00 0.00 C ATOM 0 H ILE A 54 8.001 1.674 -2.084 1.00 0.00 H new ATOM 0 HA ILE A 54 6.331 -0.431 -0.951 1.00 0.00 H new ATOM 0 HB ILE A 54 8.080 -1.091 -2.463 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.380 -2.666 -0.963 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.678 -1.840 0.414 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.472 -0.880 -1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.684 0.692 -2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.034 0.150 -0.519 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.474 -3.884 -0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.433 -2.463 -0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.146 -3.302 -1.738 1.00 0.00 H new ATOM 908 N ILE A 55 6.812 -0.003 1.453 1.00 0.00 N ATOM 909 CA ILE A 55 7.029 0.286 2.846 1.00 0.00 C ATOM 910 C ILE A 55 7.648 -0.894 3.576 1.00 0.00 C ATOM 911 O ILE A 55 8.697 -0.755 4.199 1.00 0.00 O ATOM 912 CB ILE A 55 5.780 0.860 3.612 1.00 0.00 C ATOM 913 CG1 ILE A 55 4.477 0.105 3.293 1.00 0.00 C ATOM 914 CG2 ILE A 55 5.614 2.348 3.332 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.797 0.529 2.010 1.00 0.00 C ATOM 0 H ILE A 55 6.042 -0.645 1.264 1.00 0.00 H new ATOM 0 HA ILE A 55 7.748 1.106 2.847 1.00 0.00 H new ATOM 0 HB ILE A 55 5.976 0.713 4.674 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.696 -0.961 3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.781 0.244 4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.745 2.725 3.871 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.505 2.882 3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.473 2.503 2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.889 -0.057 1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.541 1.587 2.066 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.470 0.363 1.169 1.00 0.00 H new ATOM 927 N ARG A 56 7.049 -2.066 3.477 1.00 0.00 N ATOM 928 CA ARG A 56 7.622 -3.211 4.142 1.00 0.00 C ATOM 929 C ARG A 56 7.794 -4.367 3.162 1.00 0.00 C ATOM 930 O ARG A 56 6.922 -4.617 2.319 1.00 0.00 O ATOM 931 CB ARG A 56 6.834 -3.626 5.406 1.00 0.00 C ATOM 932 CG ARG A 56 7.497 -4.779 6.143 1.00 0.00 C ATOM 933 CD ARG A 56 7.019 -4.965 7.565 1.00 0.00 C ATOM 934 NE ARG A 56 7.640 -4.028 8.507 1.00 0.00 N ATOM 935 CZ ARG A 56 7.800 -4.276 9.818 1.00 0.00 C ATOM 936 NH1 ARG A 56 7.307 -5.391 10.350 1.00 0.00 N ATOM 937 NH2 ARG A 56 8.466 -3.412 10.582 1.00 0.00 N ATOM 0 H ARG A 56 6.190 -2.244 2.957 1.00 0.00 H new ATOM 0 HA ARG A 56 8.611 -2.921 4.498 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.748 -2.770 6.076 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.821 -3.912 5.123 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.318 -5.700 5.588 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.575 -4.617 6.153 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.937 -4.840 7.598 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.232 -5.986 7.883 1.00 0.00 H new ATOM 0 HE ARG A 56 7.971 -3.134 8.145 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.807 -6.059 9.763 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.429 -5.578 11.345 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.854 -2.563 10.172 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.588 -3.600 11.577 1.00 0.00 H new ATOM 951 N ILE A 57 8.925 -5.030 3.262 1.00 0.00 N ATOM 952 CA ILE A 57 9.308 -6.123 2.380 1.00 0.00 C ATOM 953 C ILE A 57 9.619 -7.396 3.150 1.00 0.00 C ATOM 954 O ILE A 57 9.384 -8.496 2.657 1.00 0.00 O ATOM 955 CB ILE A 57 10.536 -5.785 1.437 1.00 0.00 C ATOM 956 CG1 ILE A 57 11.654 -4.974 2.140 1.00 0.00 C ATOM 957 CG2 ILE A 57 10.099 -5.088 0.176 1.00 0.00 C ATOM 958 CD1 ILE A 57 11.314 -3.502 2.355 1.00 0.00 C ATOM 0 H ILE A 57 9.625 -4.823 3.975 1.00 0.00 H new ATOM 0 HA ILE A 57 8.433 -6.278 1.748 1.00 0.00 H new ATOM 0 HB ILE A 57 10.966 -6.751 1.173 1.00 0.00 H new ATOM 0 HG12 ILE A 57 11.867 -5.431 3.106 1.00 0.00 H new ATOM 0 HG13 ILE A 57 12.566 -5.042 1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 57 10.971 -4.874 -0.442 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.412 -5.730 -0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.598 -4.154 0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.147 -3.005 2.852 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.130 -3.026 1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 57 10.421 -3.422 2.975 1.00 0.00 H new ATOM 970 N THR A 58 10.150 -7.257 4.337 1.00 0.00 N ATOM 971 CA THR A 58 10.517 -8.404 5.124 1.00 0.00 C ATOM 972 C THR A 58 9.500 -8.681 6.230 1.00 0.00 C ATOM 973 O THR A 58 8.658 -7.823 6.517 1.00 0.00 O ATOM 974 CB THR A 58 11.936 -8.223 5.680 1.00 0.00 C ATOM 975 OG1 THR A 58 12.075 -6.894 6.221 1.00 0.00 O ATOM 976 CG2 THR A 58 12.960 -8.423 4.575 1.00 0.00 C ATOM 0 H THR A 58 10.338 -6.358 4.780 1.00 0.00 H new ATOM 0 HA THR A 58 10.512 -9.282 4.479 1.00 0.00 H new ATOM 0 HB THR A 58 12.105 -8.961 6.464 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.981 -6.779 6.578 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.963 -8.292 4.981 1.00 0.00 H new ATOM 0 HG22 THR A 58 12.862 -9.429 4.166 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.790 -7.692 3.785 1.00 0.00 H new ATOM 984 N ASP A 59 9.562 -9.907 6.808 1.00 0.00 N ATOM 985 CA ASP A 59 8.644 -10.388 7.884 1.00 0.00 C ATOM 986 C ASP A 59 7.252 -10.637 7.275 1.00 0.00 C ATOM 987 O ASP A 59 6.242 -10.790 7.959 1.00 0.00 O ATOM 988 CB ASP A 59 8.601 -9.390 9.079 1.00 0.00 C ATOM 989 CG ASP A 59 7.829 -9.893 10.291 1.00 0.00 C ATOM 990 OD1 ASP A 59 8.406 -10.643 11.118 1.00 0.00 O ATOM 991 OD2 ASP A 59 6.664 -9.505 10.482 1.00 0.00 O ATOM 0 H ASP A 59 10.259 -10.602 6.540 1.00 0.00 H new ATOM 0 HA ASP A 59 9.016 -11.327 8.293 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.623 -9.162 9.383 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.153 -8.456 8.740 1.00 0.00 H new ATOM 996 N ASN A 60 7.261 -10.780 5.974 1.00 0.00 N ATOM 997 CA ASN A 60 6.075 -10.910 5.159 1.00 0.00 C ATOM 998 C ASN A 60 5.497 -12.339 5.166 1.00 0.00 C ATOM 999 O ASN A 60 6.151 -13.294 4.741 1.00 0.00 O ATOM 1000 CB ASN A 60 6.370 -10.401 3.734 1.00 0.00 C ATOM 1001 CG ASN A 60 7.467 -11.142 2.966 1.00 0.00 C ATOM 1002 OD1 ASN A 60 8.373 -11.761 3.542 1.00 0.00 O ATOM 1003 ND2 ASN A 60 7.434 -11.020 1.674 1.00 0.00 N ATOM 0 H ASN A 60 8.124 -10.810 5.432 1.00 0.00 H new ATOM 0 HA ASN A 60 5.293 -10.288 5.595 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.449 -10.455 3.153 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.646 -9.348 3.796 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.168 -11.440 1.103 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.674 -10.504 1.230 1.00 0.00 H new ATOM 1010 N PRO A 61 4.247 -12.489 5.660 1.00 0.00 N ATOM 1011 CA PRO A 61 3.584 -13.798 5.831 1.00 0.00 C ATOM 1012 C PRO A 61 3.166 -14.482 4.518 1.00 0.00 C ATOM 1013 O PRO A 61 3.181 -15.710 4.419 1.00 0.00 O ATOM 1014 CB PRO A 61 2.337 -13.465 6.677 1.00 0.00 C ATOM 1015 CG PRO A 61 2.533 -12.060 7.149 1.00 0.00 C ATOM 1016 CD PRO A 61 3.381 -11.392 6.117 1.00 0.00 C ATOM 0 HA PRO A 61 4.269 -14.512 6.288 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.426 -13.556 6.085 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.240 -14.151 7.518 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.577 -11.549 7.259 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.018 -12.041 8.125 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.783 -10.981 5.304 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.957 -10.568 6.537 1.00 0.00 H new ATOM 1024 N GLU A 62 2.793 -13.701 3.527 1.00 0.00 N ATOM 1025 CA GLU A 62 2.341 -14.241 2.239 1.00 0.00 C ATOM 1026 C GLU A 62 3.501 -14.355 1.266 1.00 0.00 C ATOM 1027 O GLU A 62 3.410 -15.031 0.248 1.00 0.00 O ATOM 1028 CB GLU A 62 1.264 -13.343 1.607 1.00 0.00 C ATOM 1029 CG GLU A 62 -0.178 -13.561 2.063 1.00 0.00 C ATOM 1030 CD GLU A 62 -0.393 -13.512 3.557 1.00 0.00 C ATOM 1031 OE1 GLU A 62 -0.437 -12.403 4.127 1.00 0.00 O ATOM 1032 OE2 GLU A 62 -0.560 -14.584 4.183 1.00 0.00 O ATOM 0 H GLU A 62 2.790 -12.682 3.578 1.00 0.00 H new ATOM 0 HA GLU A 62 1.922 -15.228 2.435 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.529 -12.305 1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.301 -13.479 0.526 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.808 -12.804 1.596 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.516 -14.529 1.695 1.00 0.00 H new ATOM 1039 N GLY A 63 4.574 -13.668 1.566 1.00 0.00 N ATOM 1040 CA GLY A 63 5.705 -13.646 0.659 1.00 0.00 C ATOM 1041 C GLY A 63 5.566 -12.507 -0.325 1.00 0.00 C ATOM 1042 O GLY A 63 6.361 -12.348 -1.255 1.00 0.00 O ATOM 0 H GLY A 63 4.693 -13.121 2.419 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.631 -13.537 1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.769 -14.593 0.123 1.00 0.00 H new ATOM 1046 N LYS A 64 4.552 -11.714 -0.096 1.00 0.00 N ATOM 1047 CA LYS A 64 4.245 -10.584 -0.888 1.00 0.00 C ATOM 1048 C LYS A 64 4.705 -9.338 -0.131 1.00 0.00 C ATOM 1049 O LYS A 64 4.978 -9.419 1.063 1.00 0.00 O ATOM 1050 CB LYS A 64 2.736 -10.570 -1.212 1.00 0.00 C ATOM 1051 CG LYS A 64 1.779 -10.219 -0.079 1.00 0.00 C ATOM 1052 CD LYS A 64 0.308 -10.560 -0.443 1.00 0.00 C ATOM 1053 CE LYS A 64 -0.018 -10.166 -1.877 1.00 0.00 C ATOM 1054 NZ LYS A 64 -1.453 -10.277 -2.237 1.00 0.00 N ATOM 0 H LYS A 64 3.903 -11.855 0.678 1.00 0.00 H new ATOM 0 HA LYS A 64 4.765 -10.612 -1.845 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.572 -9.861 -2.023 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.463 -11.555 -1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.066 -10.762 0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.860 -9.156 0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.138 -11.628 -0.311 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.366 -10.043 0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.305 -9.138 -2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.562 -10.794 -2.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.586 -9.990 -3.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.766 -11.261 -2.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.015 -9.657 -1.619 1.00 0.00 H new ATOM 1068 N TRP A 65 4.834 -8.243 -0.814 1.00 0.00 N ATOM 1069 CA TRP A 65 5.341 -6.994 -0.245 1.00 0.00 C ATOM 1070 C TRP A 65 4.205 -6.107 0.186 1.00 0.00 C ATOM 1071 O TRP A 65 3.063 -6.457 0.016 1.00 0.00 O ATOM 1072 CB TRP A 65 6.205 -6.258 -1.261 1.00 0.00 C ATOM 1073 CG TRP A 65 7.517 -6.907 -1.538 1.00 0.00 C ATOM 1074 CD1 TRP A 65 8.171 -7.796 -0.738 1.00 0.00 C ATOM 1075 CD2 TRP A 65 8.359 -6.696 -2.680 1.00 0.00 C ATOM 1076 NE1 TRP A 65 9.352 -8.168 -1.315 1.00 0.00 N ATOM 1077 CE2 TRP A 65 9.498 -7.508 -2.509 1.00 0.00 C ATOM 1078 CE3 TRP A 65 8.257 -5.910 -3.833 1.00 0.00 C ATOM 1079 CZ2 TRP A 65 10.526 -7.555 -3.443 1.00 0.00 C ATOM 1080 CZ3 TRP A 65 9.281 -5.955 -4.754 1.00 0.00 C ATOM 1081 CH2 TRP A 65 10.401 -6.774 -4.557 1.00 0.00 C ATOM 0 H TRP A 65 4.590 -8.172 -1.802 1.00 0.00 H new ATOM 0 HA TRP A 65 5.947 -7.242 0.627 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.651 -6.172 -2.196 1.00 0.00 H new ATOM 0 HB3 TRP A 65 6.383 -5.244 -0.902 1.00 0.00 H new ATOM 0 HD1 TRP A 65 7.808 -8.154 0.214 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.019 -8.831 -0.921 1.00 0.00 H new ATOM 0 HE3 TRP A 65 7.394 -5.282 -3.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.391 -8.185 -3.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 9.219 -5.347 -5.645 1.00 0.00 H new ATOM 0 HH2 TRP A 65 11.183 -6.788 -5.302 1.00 0.00 H new ATOM 1092 N LEU A 66 4.516 -4.988 0.774 1.00 0.00 N ATOM 1093 CA LEU A 66 3.507 -4.051 1.189 1.00 0.00 C ATOM 1094 C LEU A 66 3.684 -2.749 0.430 1.00 0.00 C ATOM 1095 O LEU A 66 4.696 -2.062 0.614 1.00 0.00 O ATOM 1096 CB LEU A 66 3.617 -3.793 2.695 1.00 0.00 C ATOM 1097 CG LEU A 66 2.553 -2.884 3.298 1.00 0.00 C ATOM 1098 CD1 LEU A 66 1.194 -3.506 3.169 1.00 0.00 C ATOM 1099 CD2 LEU A 66 2.857 -2.598 4.743 1.00 0.00 C ATOM 0 H LEU A 66 5.472 -4.698 0.980 1.00 0.00 H new ATOM 0 HA LEU A 66 2.522 -4.466 0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.581 -4.752 3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.596 -3.358 2.898 1.00 0.00 H new ATOM 0 HG LEU A 66 2.559 -1.943 2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.447 -2.842 3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.966 -3.666 2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.180 -4.462 3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.086 -1.947 5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.880 -3.533 5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.826 -2.106 4.820 1.00 0.00 H new ATOM 1111 N GLY A 67 2.733 -2.418 -0.413 1.00 0.00 N ATOM 1112 CA GLY A 67 2.814 -1.198 -1.159 1.00 0.00 C ATOM 1113 C GLY A 67 1.691 -0.271 -0.787 1.00 0.00 C ATOM 1114 O GLY A 67 0.599 -0.724 -0.440 1.00 0.00 O ATOM 0 H GLY A 67 1.900 -2.978 -0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.771 -0.712 -0.968 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.774 -1.415 -2.226 1.00 0.00 H new ATOM 1118 N ARG A 68 1.937 1.007 -0.838 1.00 0.00 N ATOM 1119 CA ARG A 68 0.940 1.974 -0.442 1.00 0.00 C ATOM 1120 C ARG A 68 0.607 2.913 -1.583 1.00 0.00 C ATOM 1121 O ARG A 68 1.430 3.162 -2.458 1.00 0.00 O ATOM 1122 CB ARG A 68 1.441 2.782 0.768 1.00 0.00 C ATOM 1123 CG ARG A 68 0.459 3.798 1.357 1.00 0.00 C ATOM 1124 CD ARG A 68 1.176 4.782 2.271 1.00 0.00 C ATOM 1125 NE ARG A 68 2.151 5.622 1.535 1.00 0.00 N ATOM 1126 CZ ARG A 68 2.815 6.668 2.062 1.00 0.00 C ATOM 1127 NH1 ARG A 68 2.558 7.070 3.299 1.00 0.00 N ATOM 1128 NH2 ARG A 68 3.701 7.337 1.319 1.00 0.00 N ATOM 0 H ARG A 68 2.821 1.410 -1.150 1.00 0.00 H new ATOM 0 HA ARG A 68 0.034 1.433 -0.168 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.722 2.082 1.555 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.347 3.312 0.474 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.037 4.339 0.551 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.318 3.277 1.916 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.442 5.423 2.759 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.693 4.233 3.058 1.00 0.00 H new ATOM 0 HE ARG A 68 2.332 5.391 0.558 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.854 6.586 3.857 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.064 7.863 3.693 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.874 7.055 0.354 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.205 8.130 1.717 1.00 0.00 H new ATOM 1142 N THR A 69 -0.577 3.443 -1.529 1.00 0.00 N ATOM 1143 CA THR A 69 -1.053 4.451 -2.463 1.00 0.00 C ATOM 1144 C THR A 69 -0.881 5.785 -1.719 1.00 0.00 C ATOM 1145 O THR A 69 -0.897 5.764 -0.499 1.00 0.00 O ATOM 1146 CB THR A 69 -2.555 4.191 -2.744 1.00 0.00 C ATOM 1147 OG1 THR A 69 -2.727 2.802 -3.013 1.00 0.00 O ATOM 1148 CG2 THR A 69 -3.042 4.966 -3.953 1.00 0.00 C ATOM 0 H THR A 69 -1.266 3.189 -0.821 1.00 0.00 H new ATOM 0 HA THR A 69 -0.520 4.444 -3.414 1.00 0.00 H new ATOM 0 HB THR A 69 -3.126 4.511 -1.872 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.673 2.618 -3.192 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.099 4.757 -4.117 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.906 6.033 -3.780 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.472 4.665 -4.832 1.00 0.00 H new ATOM 1156 N ALA A 70 -0.704 6.907 -2.423 1.00 0.00 N ATOM 1157 CA ALA A 70 -0.397 8.225 -1.783 1.00 0.00 C ATOM 1158 C ALA A 70 -1.371 8.593 -0.655 1.00 0.00 C ATOM 1159 O ALA A 70 -0.989 9.191 0.343 1.00 0.00 O ATOM 1160 CB ALA A 70 -0.374 9.325 -2.829 1.00 0.00 C ATOM 0 H ALA A 70 -0.765 6.946 -3.440 1.00 0.00 H new ATOM 0 HA ALA A 70 0.588 8.125 -1.327 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.150 10.278 -2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.391 9.104 -3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.347 9.384 -3.316 1.00 0.00 H new ATOM 1166 N ARG A 71 -2.609 8.203 -0.828 1.00 0.00 N ATOM 1167 CA ARG A 71 -3.676 8.452 0.146 1.00 0.00 C ATOM 1168 C ARG A 71 -3.528 7.585 1.423 1.00 0.00 C ATOM 1169 O ARG A 71 -4.157 7.854 2.440 1.00 0.00 O ATOM 1170 CB ARG A 71 -5.017 8.143 -0.510 1.00 0.00 C ATOM 1171 CG ARG A 71 -5.116 6.709 -0.998 1.00 0.00 C ATOM 1172 CD ARG A 71 -6.432 6.428 -1.661 1.00 0.00 C ATOM 1173 NE ARG A 71 -6.520 5.035 -2.114 1.00 0.00 N ATOM 1174 CZ ARG A 71 -6.904 4.652 -3.340 1.00 0.00 C ATOM 1175 NH1 ARG A 71 -7.039 5.549 -4.301 1.00 0.00 N ATOM 1176 NH2 ARG A 71 -7.082 3.379 -3.614 1.00 0.00 N ATOM 0 H ARG A 71 -2.922 7.696 -1.656 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.613 9.497 0.450 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.818 8.335 0.203 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.170 8.820 -1.351 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.307 6.509 -1.700 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.983 6.030 -0.156 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.244 6.637 -0.964 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.562 7.097 -2.512 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.271 4.305 -1.447 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.851 6.533 -4.110 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.331 5.257 -5.234 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.928 2.675 -2.892 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.374 3.095 -4.549 1.00 0.00 H new ATOM 1190 N GLY A 72 -2.709 6.563 1.351 1.00 0.00 N ATOM 1191 CA GLY A 72 -2.581 5.626 2.438 1.00 0.00 C ATOM 1192 C GLY A 72 -3.593 4.514 2.304 1.00 0.00 C ATOM 1193 O GLY A 72 -4.726 4.607 2.772 1.00 0.00 O ATOM 0 H GLY A 72 -2.118 6.360 0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.574 5.209 2.449 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.723 6.141 3.388 1.00 0.00 H new ATOM 1197 N SER A 73 -3.201 3.518 1.590 1.00 0.00 N ATOM 1198 CA SER A 73 -3.933 2.356 1.314 1.00 0.00 C ATOM 1199 C SER A 73 -2.838 1.399 1.082 1.00 0.00 C ATOM 1200 O SER A 73 -1.952 1.668 0.273 1.00 0.00 O ATOM 1201 CB SER A 73 -4.771 2.515 0.063 1.00 0.00 C ATOM 1202 OG SER A 73 -5.582 3.689 0.148 1.00 0.00 O ATOM 0 H SER A 73 -2.280 3.506 1.152 1.00 0.00 H new ATOM 0 HA SER A 73 -4.640 2.074 2.094 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.122 2.577 -0.811 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.404 1.638 -0.071 1.00 0.00 H new ATOM 0 HG SER A 73 -6.522 3.431 0.246 1.00 0.00 H new ATOM 1208 N TYR A 74 -2.833 0.405 1.793 1.00 0.00 N ATOM 1209 CA TYR A 74 -1.757 -0.509 1.817 1.00 0.00 C ATOM 1210 C TYR A 74 -2.194 -1.817 1.262 1.00 0.00 C ATOM 1211 O TYR A 74 -2.852 -2.616 1.941 1.00 0.00 O ATOM 1212 CB TYR A 74 -1.308 -0.695 3.233 1.00 0.00 C ATOM 1213 CG TYR A 74 -0.609 0.473 3.902 1.00 0.00 C ATOM 1214 CD1 TYR A 74 -1.338 1.517 4.466 1.00 0.00 C ATOM 1215 CD2 TYR A 74 0.770 0.514 4.006 1.00 0.00 C ATOM 1216 CE1 TYR A 74 -0.706 2.564 5.103 1.00 0.00 C ATOM 1217 CE2 TYR A 74 1.409 1.556 4.651 1.00 0.00 C ATOM 1218 CZ TYR A 74 0.666 2.578 5.196 1.00 0.00 C ATOM 1219 OH TYR A 74 1.295 3.612 5.849 1.00 0.00 O ATOM 0 H TYR A 74 -3.599 0.159 2.420 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.936 -0.122 1.214 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.181 -0.953 3.832 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.636 -1.552 3.263 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.416 1.506 4.403 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.358 -0.283 3.575 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.286 3.370 5.527 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.486 1.568 4.727 1.00 0.00 H new ATOM 0 HH TYR A 74 2.265 3.471 5.827 1.00 0.00 H new ATOM 1229 N GLY A 75 -1.876 -2.026 0.050 1.00 0.00 N ATOM 1230 CA GLY A 75 -2.178 -3.204 -0.551 1.00 0.00 C ATOM 1231 C GLY A 75 -0.960 -4.004 -0.649 1.00 0.00 C ATOM 1232 O GLY A 75 -0.043 -3.672 -1.402 1.00 0.00 O ATOM 0 H GLY A 75 -1.389 -1.354 -0.543 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.936 -3.738 0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.595 -3.027 -1.542 1.00 0.00 H new ATOM 1236 N TYR A 76 -0.883 -4.916 0.231 1.00 0.00 N ATOM 1237 CA TYR A 76 0.114 -5.970 0.232 1.00 0.00 C ATOM 1238 C TYR A 76 0.159 -6.562 -1.191 1.00 0.00 C ATOM 1239 O TYR A 76 -0.744 -7.258 -1.617 1.00 0.00 O ATOM 1240 CB TYR A 76 -0.279 -7.059 1.271 1.00 0.00 C ATOM 1241 CG TYR A 76 -1.365 -6.597 2.226 1.00 0.00 C ATOM 1242 CD1 TYR A 76 -2.691 -6.617 1.826 1.00 0.00 C ATOM 1243 CD2 TYR A 76 -1.072 -6.101 3.491 1.00 0.00 C ATOM 1244 CE1 TYR A 76 -3.684 -6.173 2.634 1.00 0.00 C ATOM 1245 CE2 TYR A 76 -2.083 -5.647 4.310 1.00 0.00 C ATOM 1246 CZ TYR A 76 -3.390 -5.692 3.865 1.00 0.00 C ATOM 1247 OH TYR A 76 -4.403 -5.232 4.656 1.00 0.00 O ATOM 0 H TYR A 76 -1.530 -4.976 1.018 1.00 0.00 H new ATOM 0 HA TYR A 76 1.096 -5.585 0.508 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.620 -7.951 0.745 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.604 -7.344 1.843 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.940 -6.996 0.846 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.048 -6.071 3.833 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.709 -6.203 2.296 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.855 -5.259 5.292 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.965 -4.616 4.142 1.00 0.00 H new ATOM 1257 N ILE A 77 1.170 -6.183 -1.908 1.00 0.00 N ATOM 1258 CA ILE A 77 1.365 -6.515 -3.284 1.00 0.00 C ATOM 1259 C ILE A 77 2.061 -7.768 -3.488 1.00 0.00 C ATOM 1260 O ILE A 77 2.999 -8.093 -2.781 1.00 0.00 O ATOM 1261 CB ILE A 77 2.257 -5.498 -3.971 1.00 0.00 C ATOM 1262 CG1 ILE A 77 3.340 -4.972 -3.010 1.00 0.00 C ATOM 1263 CG2 ILE A 77 1.456 -4.385 -4.559 1.00 0.00 C ATOM 1264 CD1 ILE A 77 4.266 -3.962 -3.614 1.00 0.00 C ATOM 0 H ILE A 77 1.920 -5.604 -1.530 1.00 0.00 H new ATOM 0 HA ILE A 77 0.352 -6.555 -3.685 1.00 0.00 H new ATOM 0 HB ILE A 77 2.765 -6.001 -4.794 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.853 -4.527 -2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.928 -5.815 -2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.124 -3.673 -5.044 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.759 -4.787 -5.294 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.899 -3.881 -3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.996 -3.646 -2.869 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.784 -4.406 -4.464 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.693 -3.098 -3.950 1.00 0.00 H new ATOM 1276 N LYS A 78 1.674 -8.455 -4.491 1.00 0.00 N ATOM 1277 CA LYS A 78 2.451 -9.500 -4.920 1.00 0.00 C ATOM 1278 C LYS A 78 3.589 -8.813 -5.681 1.00 0.00 C ATOM 1279 O LYS A 78 3.384 -8.019 -6.593 1.00 0.00 O ATOM 1280 CB LYS A 78 1.683 -10.502 -5.788 1.00 0.00 C ATOM 1281 CG LYS A 78 1.197 -9.941 -7.085 1.00 0.00 C ATOM 1282 CD LYS A 78 0.556 -11.003 -7.965 1.00 0.00 C ATOM 1283 CE LYS A 78 0.030 -10.414 -9.267 1.00 0.00 C ATOM 1284 NZ LYS A 78 -1.117 -9.505 -9.055 1.00 0.00 N ATOM 0 H LYS A 78 0.816 -8.296 -5.019 1.00 0.00 H new ATOM 0 HA LYS A 78 2.809 -10.113 -4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.327 -11.357 -5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.829 -10.875 -5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.474 -9.149 -6.889 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.032 -9.485 -7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.286 -11.781 -8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.262 -11.478 -7.424 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.832 -9.871 -9.767 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.270 -11.223 -9.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.983 -9.948 -9.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.229 -9.318 -8.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.947 -8.609 -9.555 1.00 0.00 H new ATOM 1298 N THR A 79 4.700 -9.025 -5.163 1.00 0.00 N ATOM 1299 CA THR A 79 6.019 -8.526 -5.574 1.00 0.00 C ATOM 1300 C THR A 79 6.179 -8.428 -7.102 1.00 0.00 C ATOM 1301 O THR A 79 6.721 -7.463 -7.613 1.00 0.00 O ATOM 1302 CB THR A 79 7.108 -9.503 -5.027 1.00 0.00 C ATOM 1303 OG1 THR A 79 6.976 -10.791 -5.659 1.00 0.00 O ATOM 1304 CG2 THR A 79 6.923 -9.722 -3.540 1.00 0.00 C ATOM 0 H THR A 79 4.776 -9.618 -4.337 1.00 0.00 H new ATOM 0 HA THR A 79 6.127 -7.520 -5.169 1.00 0.00 H new ATOM 0 HB THR A 79 8.083 -9.061 -5.234 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.663 -11.398 -5.312 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.690 -10.405 -3.175 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.008 -8.769 -3.018 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.938 -10.150 -3.355 1.00 0.00 H new ATOM 1312 N THR A 80 5.654 -9.399 -7.789 1.00 0.00 N ATOM 1313 CA THR A 80 5.725 -9.508 -9.222 1.00 0.00 C ATOM 1314 C THR A 80 4.867 -8.417 -9.956 1.00 0.00 C ATOM 1315 O THR A 80 5.021 -8.201 -11.165 1.00 0.00 O ATOM 1316 CB THR A 80 5.290 -10.945 -9.635 1.00 0.00 C ATOM 1317 OG1 THR A 80 5.337 -11.128 -11.044 1.00 0.00 O ATOM 1318 CG2 THR A 80 3.890 -11.249 -9.118 1.00 0.00 C ATOM 0 H THR A 80 5.145 -10.168 -7.353 1.00 0.00 H new ATOM 0 HA THR A 80 6.755 -9.329 -9.532 1.00 0.00 H new ATOM 0 HB THR A 80 5.999 -11.639 -9.184 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.059 -12.041 -11.265 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.603 -12.257 -9.416 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.880 -11.175 -8.031 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.184 -10.532 -9.537 1.00 0.00 H new ATOM 1326 N ALA A 81 4.000 -7.715 -9.226 1.00 0.00 N ATOM 1327 CA ALA A 81 3.149 -6.721 -9.841 1.00 0.00 C ATOM 1328 C ALA A 81 3.833 -5.361 -9.872 1.00 0.00 C ATOM 1329 O ALA A 81 3.385 -4.437 -10.556 1.00 0.00 O ATOM 1330 CB ALA A 81 1.816 -6.648 -9.121 1.00 0.00 C ATOM 0 H ALA A 81 3.876 -7.821 -8.219 1.00 0.00 H new ATOM 0 HA ALA A 81 2.963 -7.019 -10.873 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.187 -5.895 -9.596 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.322 -7.618 -9.171 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.980 -6.378 -8.078 1.00 0.00 H new ATOM 1336 N VAL A 82 4.919 -5.232 -9.136 1.00 0.00 N ATOM 1337 CA VAL A 82 5.670 -3.987 -9.116 1.00 0.00 C ATOM 1338 C VAL A 82 7.132 -4.236 -9.327 1.00 0.00 C ATOM 1339 O VAL A 82 7.600 -5.365 -9.260 1.00 0.00 O ATOM 1340 CB VAL A 82 5.504 -3.176 -7.799 1.00 0.00 C ATOM 1341 CG1 VAL A 82 4.086 -2.672 -7.630 1.00 0.00 C ATOM 1342 CG2 VAL A 82 5.919 -4.010 -6.598 1.00 0.00 C ATOM 0 H VAL A 82 5.302 -5.970 -8.545 1.00 0.00 H new ATOM 0 HA VAL A 82 5.254 -3.396 -9.932 1.00 0.00 H new ATOM 0 HB VAL A 82 6.160 -2.308 -7.864 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.008 -2.110 -6.699 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.828 -2.024 -8.468 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.400 -3.519 -7.601 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.795 -3.424 -5.688 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.296 -4.903 -6.542 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.964 -4.302 -6.702 1.00 0.00 H new ATOM 1352 N GLU A 83 7.823 -3.193 -9.631 1.00 0.00 N ATOM 1353 CA GLU A 83 9.252 -3.197 -9.736 1.00 0.00 C ATOM 1354 C GLU A 83 9.740 -2.006 -8.961 1.00 0.00 C ATOM 1355 O GLU A 83 9.425 -0.870 -9.329 1.00 0.00 O ATOM 1356 CB GLU A 83 9.679 -3.087 -11.194 1.00 0.00 C ATOM 1357 CG GLU A 83 9.197 -4.234 -12.058 1.00 0.00 C ATOM 1358 CD GLU A 83 9.690 -4.162 -13.469 1.00 0.00 C ATOM 1359 OE1 GLU A 83 9.061 -3.492 -14.305 1.00 0.00 O ATOM 1360 OE2 GLU A 83 10.709 -4.796 -13.786 1.00 0.00 O ATOM 0 H GLU A 83 7.403 -2.283 -9.820 1.00 0.00 H new ATOM 0 HA GLU A 83 9.671 -4.123 -9.343 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.301 -2.151 -11.604 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.767 -3.040 -11.242 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.523 -5.175 -11.615 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.107 -4.244 -12.062 1.00 0.00 H new ATOM 1367 N ILE A 84 10.434 -2.233 -7.872 1.00 0.00 N ATOM 1368 CA ILE A 84 10.876 -1.129 -7.045 1.00 0.00 C ATOM 1369 C ILE A 84 12.058 -0.413 -7.659 1.00 0.00 C ATOM 1370 O ILE A 84 12.671 -0.902 -8.610 1.00 0.00 O ATOM 1371 CB ILE A 84 11.247 -1.517 -5.589 1.00 0.00 C ATOM 1372 CG1 ILE A 84 12.520 -2.354 -5.545 1.00 0.00 C ATOM 1373 CG2 ILE A 84 10.094 -2.258 -4.918 1.00 0.00 C ATOM 1374 CD1 ILE A 84 13.140 -2.394 -4.176 1.00 0.00 C ATOM 0 H ILE A 84 10.704 -3.158 -7.538 1.00 0.00 H new ATOM 0 HA ILE A 84 10.006 -0.474 -6.998 1.00 0.00 H new ATOM 0 HB ILE A 84 11.434 -0.596 -5.038 1.00 0.00 H new ATOM 0 HG12 ILE A 84 12.293 -3.370 -5.867 1.00 0.00 H new ATOM 0 HG13 ILE A 84 13.241 -1.949 -6.255 1.00 0.00 H new ATOM 0 HG21 ILE A 84 10.375 -2.521 -3.898 1.00 0.00 H new ATOM 0 HG22 ILE A 84 9.212 -1.617 -4.898 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.870 -3.166 -5.478 1.00 0.00 H new ATOM 0 HD11 ILE A 84 14.043 -3.004 -4.203 1.00 0.00 H new ATOM 0 HD12 ILE A 84 13.395 -1.382 -3.862 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.432 -2.826 -3.468 1.00 0.00 H new ATOM 1386 N ASP A 85 12.357 0.743 -7.136 1.00 0.00 N ATOM 1387 CA ASP A 85 13.544 1.466 -7.550 1.00 0.00 C ATOM 1388 C ASP A 85 14.714 0.918 -6.788 1.00 0.00 C ATOM 1389 O ASP A 85 14.856 1.160 -5.585 1.00 0.00 O ATOM 1390 CB ASP A 85 13.410 2.971 -7.310 1.00 0.00 C ATOM 1391 CG ASP A 85 14.637 3.757 -7.741 1.00 0.00 C ATOM 1392 OD1 ASP A 85 14.912 3.825 -8.961 1.00 0.00 O ATOM 1393 OD2 ASP A 85 15.327 4.350 -6.878 1.00 0.00 O ATOM 0 H ASP A 85 11.800 1.211 -6.421 1.00 0.00 H new ATOM 0 HA ASP A 85 13.686 1.331 -8.622 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.540 3.343 -7.851 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.226 3.149 -6.250 1.00 0.00 H new