USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 488 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 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0378 X(o=-0.038,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.202 K(o=-0.2,f=-3.4!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 96:sc= -0.0152 USER MOD Single : A 64 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.9!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.707 K(o=-0.71,f=-2.8!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -134:sc= 0.552 (180deg=0.0151) USER MOD Single : A 76 ASN : amide:sc= -0.775 K(o=-0.78,f=-3.7!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 159:sc= 0.485 (180deg=0.282) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 229 N LEU A 19 -5.575 0.932 -10.168 1.00 0.00 N ATOM 230 CA LEU A 19 -4.429 0.526 -10.974 1.00 0.00 C ATOM 231 C LEU A 19 -3.790 -0.740 -10.413 1.00 0.00 C ATOM 232 O LEU A 19 -3.916 -1.037 -9.224 1.00 0.00 O ATOM 233 CB LEU A 19 -3.396 1.652 -11.031 1.00 0.00 C ATOM 234 CG LEU A 19 -3.349 2.455 -12.331 1.00 0.00 C ATOM 235 CD1 LEU A 19 -3.047 3.918 -12.044 1.00 0.00 C ATOM 236 CD2 LEU A 19 -2.313 1.872 -13.282 1.00 0.00 C ATOM 0 HA LEU A 19 -4.782 0.315 -11.983 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.593 2.340 -10.209 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.410 1.222 -10.857 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.327 2.393 -12.809 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.017 4.474 -12.981 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.825 4.331 -11.401 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.082 3.999 -11.544 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.294 2.457 -14.202 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.330 1.902 -12.812 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.573 0.839 -13.514 1.00 0.00 H new ATOM 248 N LEU A 20 -3.101 -1.481 -11.274 1.00 0.00 N ATOM 249 CA LEU A 20 -2.439 -2.714 -10.863 1.00 0.00 C ATOM 250 C LEU A 20 -0.940 -2.493 -10.684 1.00 0.00 C ATOM 251 O LEU A 20 -0.347 -1.632 -11.334 1.00 0.00 O ATOM 252 CB LEU A 20 -2.684 -3.816 -11.895 1.00 0.00 C ATOM 253 CG LEU A 20 -2.370 -5.242 -11.442 1.00 0.00 C ATOM 254 CD1 LEU A 20 -3.157 -5.588 -10.187 1.00 0.00 C ATOM 255 CD2 LEU A 20 -2.674 -6.234 -12.555 1.00 0.00 C ATOM 0 H LEU A 20 -2.986 -1.249 -12.261 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.859 -3.022 -9.906 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.730 -3.775 -12.199 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.086 -3.597 -12.780 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.307 -5.303 -11.208 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.921 -6.607 -9.879 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.890 -4.896 -9.388 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.224 -5.509 -10.394 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.445 -7.244 -12.215 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.729 -6.171 -12.820 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.066 -5.998 -13.428 1.00 0.00 H new ATOM 267 N TYR A 21 -0.334 -3.277 -9.800 1.00 0.00 N ATOM 268 CA TYR A 21 1.096 -3.168 -9.535 1.00 0.00 C ATOM 269 C TYR A 21 1.748 -4.546 -9.485 1.00 0.00 C ATOM 270 O TYR A 21 1.076 -5.556 -9.273 1.00 0.00 O ATOM 271 CB TYR A 21 1.337 -2.430 -8.217 1.00 0.00 C ATOM 272 CG TYR A 21 1.477 -0.933 -8.378 1.00 0.00 C ATOM 273 CD1 TYR A 21 0.358 -0.113 -8.438 1.00 0.00 C ATOM 274 CD2 TYR A 21 2.730 -0.339 -8.469 1.00 0.00 C ATOM 275 CE1 TYR A 21 0.481 1.255 -8.585 1.00 0.00 C ATOM 276 CE2 TYR A 21 2.864 1.028 -8.616 1.00 0.00 C ATOM 277 CZ TYR A 21 1.736 1.821 -8.674 1.00 0.00 C ATOM 278 OH TYR A 21 1.864 3.183 -8.820 1.00 0.00 O ATOM 0 H TYR A 21 -0.810 -3.995 -9.254 1.00 0.00 H new ATOM 0 HA TYR A 21 1.548 -2.602 -10.349 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.511 -2.638 -7.537 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.240 -2.823 -7.750 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.626 -0.553 -8.368 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.615 -0.957 -8.424 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.400 1.878 -8.630 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.845 1.473 -8.685 1.00 0.00 H new ATOM 0 HH TYR A 21 2.814 3.419 -8.866 1.00 0.00 H new ATOM 288 N ARG A 22 3.062 -4.579 -9.682 1.00 0.00 N ATOM 289 CA ARG A 22 3.806 -5.833 -9.661 1.00 0.00 C ATOM 290 C ARG A 22 5.283 -5.584 -9.367 1.00 0.00 C ATOM 291 O ARG A 22 5.782 -4.473 -9.546 1.00 0.00 O ATOM 292 CB ARG A 22 3.658 -6.562 -10.998 1.00 0.00 C ATOM 293 CG ARG A 22 2.472 -7.511 -11.045 1.00 0.00 C ATOM 294 CD ARG A 22 2.714 -8.657 -12.015 1.00 0.00 C ATOM 295 NE ARG A 22 2.788 -8.196 -13.399 1.00 0.00 N ATOM 296 CZ ARG A 22 1.719 -7.939 -14.146 1.00 0.00 C ATOM 297 NH1 ARG A 22 0.502 -8.097 -13.645 1.00 0.00 N ATOM 298 NH2 ARG A 22 1.868 -7.523 -15.397 1.00 0.00 N ATOM 0 H ARG A 22 3.633 -3.752 -9.858 1.00 0.00 H new ATOM 0 HA ARG A 22 3.394 -6.457 -8.867 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.555 -5.825 -11.795 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.570 -7.124 -11.199 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.284 -7.910 -10.048 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.578 -6.963 -11.343 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.642 -9.165 -11.752 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.912 -9.389 -11.919 1.00 0.00 H new ATOM 0 HE ARG A 22 3.710 -8.064 -13.815 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.384 -8.417 -12.684 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.316 -7.899 -14.221 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.803 -7.400 -15.786 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.048 -7.326 -15.970 1.00 0.00 H new ATOM 312 N ILE A 23 5.974 -6.624 -8.913 1.00 0.00 N ATOM 313 CA ILE A 23 7.393 -6.517 -8.595 1.00 0.00 C ATOM 314 C ILE A 23 8.255 -6.921 -9.786 1.00 0.00 C ATOM 315 O ILE A 23 7.846 -7.732 -10.617 1.00 0.00 O ATOM 316 CB ILE A 23 7.765 -7.394 -7.385 1.00 0.00 C ATOM 317 CG1 ILE A 23 7.397 -8.855 -7.653 1.00 0.00 C ATOM 318 CG2 ILE A 23 7.068 -6.889 -6.130 1.00 0.00 C ATOM 319 CD1 ILE A 23 8.212 -9.841 -6.846 1.00 0.00 C ATOM 0 H ILE A 23 5.575 -7.550 -8.757 1.00 0.00 H new ATOM 0 HA ILE A 23 7.584 -5.472 -8.349 1.00 0.00 H new ATOM 0 HB ILE A 23 8.842 -7.333 -7.229 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.340 -9.002 -7.431 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.532 -9.067 -8.714 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.341 -7.519 -5.284 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.375 -5.862 -5.932 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.988 -6.924 -6.275 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.897 -10.856 -7.087 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.269 -9.722 -7.086 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.058 -9.656 -5.783 1.00 0.00 H new ATOM 331 N LYS A 24 9.453 -6.351 -9.862 1.00 0.00 N ATOM 332 CA LYS A 24 10.377 -6.653 -10.949 1.00 0.00 C ATOM 333 C LYS A 24 11.533 -7.517 -10.456 1.00 0.00 C ATOM 334 O LYS A 24 12.339 -7.081 -9.633 1.00 0.00 O ATOM 335 CB LYS A 24 10.918 -5.359 -11.560 1.00 0.00 C ATOM 336 CG LYS A 24 10.780 -5.296 -13.072 1.00 0.00 C ATOM 337 CD LYS A 24 12.137 -5.287 -13.755 1.00 0.00 C ATOM 338 CE LYS A 24 12.121 -6.104 -15.038 1.00 0.00 C ATOM 339 NZ LYS A 24 13.401 -5.982 -15.789 1.00 0.00 N ATOM 0 H LYS A 24 9.807 -5.677 -9.183 1.00 0.00 H new ATOM 0 HA LYS A 24 9.832 -7.208 -11.712 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.392 -4.512 -11.120 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.970 -5.254 -11.295 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.201 -6.151 -13.422 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.225 -4.400 -13.351 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.425 -4.260 -13.980 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.890 -5.688 -13.076 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.939 -7.152 -14.799 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.296 -5.773 -15.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.350 -6.553 -16.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.563 -4.986 -16.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.185 -6.322 -15.196 1.00 0.00 H new ATOM 583 N LEU A 41 7.335 -3.292 3.681 1.00 0.00 N ATOM 584 CA LEU A 41 6.025 -3.844 4.006 1.00 0.00 C ATOM 585 C LEU A 41 5.150 -3.939 2.760 1.00 0.00 C ATOM 586 O LEU A 41 4.393 -4.895 2.591 1.00 0.00 O ATOM 587 CB LEU A 41 5.334 -2.982 5.063 1.00 0.00 C ATOM 588 CG LEU A 41 4.096 -3.591 5.722 1.00 0.00 C ATOM 589 CD1 LEU A 41 4.477 -4.805 6.556 1.00 0.00 C ATOM 590 CD2 LEU A 41 3.383 -2.556 6.579 1.00 0.00 C ATOM 0 HA LEU A 41 6.170 -4.848 4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.059 -2.749 5.843 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.047 -2.037 4.602 1.00 0.00 H new ATOM 0 HG LEU A 41 3.413 -3.915 4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.583 -5.225 7.017 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.941 -5.555 5.916 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.180 -4.506 7.334 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.505 -3.008 7.040 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.058 -2.200 7.357 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.074 -1.717 5.955 1.00 0.00 H new ATOM 602 N VAL A 42 5.260 -2.942 1.888 1.00 0.00 N ATOM 603 CA VAL A 42 4.482 -2.914 0.655 1.00 0.00 C ATOM 604 C VAL A 42 5.044 -3.891 -0.371 1.00 0.00 C ATOM 605 O VAL A 42 4.308 -4.694 -0.947 1.00 0.00 O ATOM 606 CB VAL A 42 4.454 -1.502 0.041 1.00 0.00 C ATOM 607 CG1 VAL A 42 3.500 -1.453 -1.143 1.00 0.00 C ATOM 608 CG2 VAL A 42 4.065 -0.472 1.092 1.00 0.00 C ATOM 0 H VAL A 42 5.881 -2.142 2.013 1.00 0.00 H new ATOM 0 HA VAL A 42 3.465 -3.209 0.915 1.00 0.00 H new ATOM 0 HB VAL A 42 5.454 -1.261 -0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.494 -0.447 -1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.827 -2.162 -1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.495 -1.714 -0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.050 0.520 0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.075 -0.708 1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.791 -0.490 1.905 1.00 0.00 H new ATOM 618 N TYR A 43 6.351 -3.819 -0.596 1.00 0.00 N ATOM 619 CA TYR A 43 7.012 -4.696 -1.555 1.00 0.00 C ATOM 620 C TYR A 43 6.673 -6.158 -1.279 1.00 0.00 C ATOM 621 O TYR A 43 6.473 -6.944 -2.204 1.00 0.00 O ATOM 622 CB TYR A 43 8.527 -4.493 -1.504 1.00 0.00 C ATOM 623 CG TYR A 43 9.275 -5.242 -2.584 1.00 0.00 C ATOM 624 CD1 TYR A 43 9.527 -6.603 -2.465 1.00 0.00 C ATOM 625 CD2 TYR A 43 9.728 -4.588 -3.723 1.00 0.00 C ATOM 626 CE1 TYR A 43 10.211 -7.291 -3.449 1.00 0.00 C ATOM 627 CE2 TYR A 43 10.412 -5.268 -4.712 1.00 0.00 C ATOM 628 CZ TYR A 43 10.651 -6.619 -4.571 1.00 0.00 C ATOM 629 OH TYR A 43 11.331 -7.301 -5.553 1.00 0.00 O ATOM 0 H TYR A 43 6.974 -3.162 -0.127 1.00 0.00 H new ATOM 0 HA TYR A 43 6.652 -4.440 -2.552 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.746 -3.429 -1.593 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.895 -4.813 -0.530 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.183 -7.132 -1.589 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.542 -3.530 -3.837 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.400 -8.349 -3.341 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.758 -4.744 -5.591 1.00 0.00 H new ATOM 0 HH TYR A 43 11.570 -6.683 -6.275 1.00 0.00 H new ATOM 639 N GLN A 44 6.611 -6.512 0.001 1.00 0.00 N ATOM 640 CA GLN A 44 6.298 -7.879 0.399 1.00 0.00 C ATOM 641 C GLN A 44 4.931 -8.301 -0.130 1.00 0.00 C ATOM 642 O GLN A 44 4.753 -9.429 -0.589 1.00 0.00 O ATOM 643 CB GLN A 44 6.330 -8.009 1.923 1.00 0.00 C ATOM 644 CG GLN A 44 7.736 -8.071 2.499 1.00 0.00 C ATOM 645 CD GLN A 44 8.359 -9.447 2.371 1.00 0.00 C ATOM 646 OE1 GLN A 44 8.205 -10.294 3.251 1.00 0.00 O ATOM 647 NE2 GLN A 44 9.067 -9.677 1.272 1.00 0.00 N ATOM 0 H GLN A 44 6.773 -5.872 0.779 1.00 0.00 H new ATOM 0 HA GLN A 44 7.053 -8.537 -0.031 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.803 -7.162 2.363 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.787 -8.908 2.214 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.366 -7.342 1.989 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.707 -7.786 3.551 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.168 -8.946 0.568 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.510 -10.585 1.131 1.00 0.00 H new ATOM 656 N ILE A 45 3.968 -7.387 -0.061 1.00 0.00 N ATOM 657 CA ILE A 45 2.618 -7.665 -0.534 1.00 0.00 C ATOM 658 C ILE A 45 2.572 -7.736 -2.056 1.00 0.00 C ATOM 659 O ILE A 45 2.007 -8.670 -2.627 1.00 0.00 O ATOM 660 CB ILE A 45 1.621 -6.594 -0.052 1.00 0.00 C ATOM 661 CG1 ILE A 45 1.636 -6.503 1.476 1.00 0.00 C ATOM 662 CG2 ILE A 45 0.221 -6.908 -0.556 1.00 0.00 C ATOM 663 CD1 ILE A 45 0.984 -5.249 2.013 1.00 0.00 C ATOM 0 H ILE A 45 4.098 -6.449 0.318 1.00 0.00 H new ATOM 0 HA ILE A 45 2.331 -8.631 -0.119 1.00 0.00 H new ATOM 0 HB ILE A 45 1.923 -5.629 -0.458 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.126 -7.373 1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.668 -6.544 1.824 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.472 -6.142 -0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.222 -6.927 -1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.093 -7.881 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.031 -5.252 3.102 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.508 -4.374 1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.058 -5.216 1.695 1.00 0.00 H new ATOM 675 N ILE A 46 3.171 -6.746 -2.708 1.00 0.00 N ATOM 676 CA ILE A 46 3.201 -6.698 -4.165 1.00 0.00 C ATOM 677 C ILE A 46 3.918 -7.915 -4.739 1.00 0.00 C ATOM 678 O ILE A 46 3.560 -8.412 -5.806 1.00 0.00 O ATOM 679 CB ILE A 46 3.895 -5.420 -4.672 1.00 0.00 C ATOM 680 CG1 ILE A 46 3.186 -4.179 -4.128 1.00 0.00 C ATOM 681 CG2 ILE A 46 3.920 -5.400 -6.193 1.00 0.00 C ATOM 682 CD1 ILE A 46 3.882 -2.882 -4.480 1.00 0.00 C ATOM 0 H ILE A 46 3.642 -5.966 -2.251 1.00 0.00 H new ATOM 0 HA ILE A 46 2.165 -6.696 -4.503 1.00 0.00 H new ATOM 0 HB ILE A 46 4.924 -5.414 -4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.168 -4.153 -4.516 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.111 -4.259 -3.044 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.413 -4.491 -6.537 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.465 -6.270 -6.559 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.899 -5.425 -6.574 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.324 -2.044 -4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.891 -2.887 -4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.933 -2.779 -5.564 1.00 0.00 H new ATOM 694 N GLU A 47 4.933 -8.391 -4.023 1.00 0.00 N ATOM 695 CA GLU A 47 5.699 -9.551 -4.463 1.00 0.00 C ATOM 696 C GLU A 47 4.846 -10.815 -4.419 1.00 0.00 C ATOM 697 O GLU A 47 4.962 -11.685 -5.283 1.00 0.00 O ATOM 698 CB GLU A 47 6.941 -9.730 -3.587 1.00 0.00 C ATOM 699 CG GLU A 47 7.704 -11.014 -3.868 1.00 0.00 C ATOM 700 CD GLU A 47 7.486 -12.067 -2.799 1.00 0.00 C ATOM 701 OE1 GLU A 47 6.438 -12.744 -2.837 1.00 0.00 O ATOM 702 OE2 GLU A 47 8.366 -12.214 -1.925 1.00 0.00 O ATOM 0 H GLU A 47 5.243 -7.991 -3.137 1.00 0.00 H new ATOM 0 HA GLU A 47 6.010 -9.380 -5.493 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.607 -8.881 -3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.641 -9.717 -2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.394 -11.413 -4.834 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.768 -10.791 -3.942 1.00 0.00 H new ATOM 709 N ASP A 48 3.990 -10.909 -3.408 1.00 0.00 N ATOM 710 CA ASP A 48 3.116 -12.066 -3.251 1.00 0.00 C ATOM 711 C ASP A 48 2.057 -12.100 -4.348 1.00 0.00 C ATOM 712 O ASP A 48 1.552 -13.165 -4.704 1.00 0.00 O ATOM 713 CB ASP A 48 2.445 -12.043 -1.877 1.00 0.00 C ATOM 714 CG ASP A 48 3.216 -12.837 -0.842 1.00 0.00 C ATOM 715 OD1 ASP A 48 4.147 -12.270 -0.232 1.00 0.00 O ATOM 716 OD2 ASP A 48 2.890 -14.026 -0.641 1.00 0.00 O ATOM 0 H ASP A 48 3.882 -10.198 -2.685 1.00 0.00 H new ATOM 0 HA ASP A 48 3.727 -12.965 -3.333 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.348 -11.011 -1.541 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.436 -12.446 -1.962 1.00 0.00 H new ATOM 721 N ALA A 49 1.725 -10.928 -4.880 1.00 0.00 N ATOM 722 CA ALA A 49 0.727 -10.824 -5.937 1.00 0.00 C ATOM 723 C ALA A 49 1.167 -11.583 -7.184 1.00 0.00 C ATOM 724 O ALA A 49 0.338 -12.074 -7.949 1.00 0.00 O ATOM 725 CB ALA A 49 0.463 -9.364 -6.271 1.00 0.00 C ATOM 0 H ALA A 49 2.133 -10.037 -4.596 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.197 -11.276 -5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.284 -9.301 -7.062 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.096 -8.848 -5.383 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.388 -8.895 -6.607 1.00 0.00 H new ATOM 731 N GLY A 50 2.479 -11.674 -7.384 1.00 0.00 N ATOM 732 CA GLY A 50 3.006 -12.374 -8.541 1.00 0.00 C ATOM 733 C GLY A 50 2.490 -11.805 -9.848 1.00 0.00 C ATOM 734 O GLY A 50 2.191 -10.615 -9.939 1.00 0.00 O ATOM 0 H GLY A 50 3.186 -11.276 -6.766 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.095 -12.320 -8.530 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.738 -13.429 -8.477 1.00 0.00 H new ATOM 738 N ASN A 51 2.387 -12.656 -10.863 1.00 0.00 N ATOM 739 CA ASN A 51 1.906 -12.230 -12.172 1.00 0.00 C ATOM 740 C ASN A 51 0.520 -11.601 -12.064 1.00 0.00 C ATOM 741 O ASN A 51 0.137 -10.771 -12.889 1.00 0.00 O ATOM 742 CB ASN A 51 1.865 -13.419 -13.135 1.00 0.00 C ATOM 743 CG ASN A 51 0.846 -14.463 -12.722 1.00 0.00 C ATOM 744 OD1 ASN A 51 0.685 -14.755 -11.537 1.00 0.00 O ATOM 745 ND2 ASN A 51 0.151 -15.031 -13.701 1.00 0.00 N ATOM 0 H ASN A 51 2.630 -13.645 -10.804 1.00 0.00 H new ATOM 0 HA ASN A 51 2.597 -11.481 -12.559 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.630 -13.063 -14.138 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.852 -13.878 -13.183 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.549 -15.740 -13.484 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.318 -14.758 -14.670 1.00 0.00 H new ATOM 752 N LYS A 52 -0.227 -12.002 -11.042 1.00 0.00 N ATOM 753 CA LYS A 52 -1.570 -11.477 -10.823 1.00 0.00 C ATOM 754 C LYS A 52 -1.523 -9.998 -10.452 1.00 0.00 C ATOM 755 O LYS A 52 -2.418 -9.231 -10.804 1.00 0.00 O ATOM 756 CB LYS A 52 -2.276 -12.268 -9.719 1.00 0.00 C ATOM 757 CG LYS A 52 -2.188 -13.773 -9.899 1.00 0.00 C ATOM 758 CD LYS A 52 -3.505 -14.452 -9.561 1.00 0.00 C ATOM 759 CE LYS A 52 -3.428 -15.956 -9.775 1.00 0.00 C ATOM 760 NZ LYS A 52 -4.351 -16.694 -8.869 1.00 0.00 N ATOM 0 H LYS A 52 0.075 -12.689 -10.351 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.130 -11.583 -11.752 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.841 -12.000 -8.756 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.325 -11.975 -9.688 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.913 -14.002 -10.929 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.398 -14.171 -9.262 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.767 -14.244 -8.524 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.300 -14.036 -10.180 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.674 -16.188 -10.811 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.406 -16.295 -9.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.268 -17.715 -9.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.101 -16.493 -7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.329 -16.390 -9.047 1.00 0.00 H new ATOM 774 N GLY A 53 -0.471 -9.604 -9.740 1.00 0.00 N ATOM 775 CA GLY A 53 -0.326 -8.218 -9.336 1.00 0.00 C ATOM 776 C GLY A 53 -1.343 -7.810 -8.288 1.00 0.00 C ATOM 777 O GLY A 53 -2.376 -8.462 -8.130 1.00 0.00 O ATOM 0 H GLY A 53 0.283 -10.220 -9.436 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.679 -8.060 -8.944 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.431 -7.575 -10.210 1.00 0.00 H new ATOM 781 N ILE A 54 -1.051 -6.731 -7.570 1.00 0.00 N ATOM 782 CA ILE A 54 -1.949 -6.239 -6.533 1.00 0.00 C ATOM 783 C ILE A 54 -2.389 -4.808 -6.821 1.00 0.00 C ATOM 784 O ILE A 54 -1.576 -3.959 -7.187 1.00 0.00 O ATOM 785 CB ILE A 54 -1.285 -6.290 -5.144 1.00 0.00 C ATOM 786 CG1 ILE A 54 -2.306 -5.955 -4.054 1.00 0.00 C ATOM 787 CG2 ILE A 54 -0.105 -5.331 -5.085 1.00 0.00 C ATOM 788 CD1 ILE A 54 -2.315 -6.945 -2.910 1.00 0.00 C ATOM 0 H ILE A 54 -0.200 -6.181 -7.687 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.822 -6.892 -6.534 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.915 -7.301 -4.971 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.093 -4.961 -3.662 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.301 -5.916 -4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.354 -5.379 -4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.630 -5.611 -5.840 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.452 -4.315 -5.275 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.062 -6.645 -2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.558 -7.938 -3.290 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.332 -6.967 -2.440 1.00 0.00 H new ATOM 800 N TRP A 55 -3.680 -4.547 -6.651 1.00 0.00 N ATOM 801 CA TRP A 55 -4.229 -3.217 -6.890 1.00 0.00 C ATOM 802 C TRP A 55 -3.865 -2.265 -5.756 1.00 0.00 C ATOM 803 O TRP A 55 -3.699 -2.685 -4.611 1.00 0.00 O ATOM 804 CB TRP A 55 -5.749 -3.290 -7.044 1.00 0.00 C ATOM 805 CG TRP A 55 -6.193 -4.249 -8.107 1.00 0.00 C ATOM 806 CD1 TRP A 55 -6.410 -5.590 -7.963 1.00 0.00 C ATOM 807 CD2 TRP A 55 -6.472 -3.941 -9.477 1.00 0.00 C ATOM 808 NE1 TRP A 55 -6.807 -6.133 -9.161 1.00 0.00 N ATOM 809 CE2 TRP A 55 -6.854 -5.142 -10.105 1.00 0.00 C ATOM 810 CE3 TRP A 55 -6.439 -2.766 -10.234 1.00 0.00 C ATOM 811 CZ2 TRP A 55 -7.198 -5.201 -11.453 1.00 0.00 C ATOM 812 CZ3 TRP A 55 -6.781 -2.826 -11.571 1.00 0.00 C ATOM 813 CH2 TRP A 55 -7.157 -4.036 -12.170 1.00 0.00 C ATOM 0 H TRP A 55 -4.366 -5.238 -6.349 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.796 -2.833 -7.814 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.190 -3.585 -6.092 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.131 -2.297 -7.278 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.288 -6.142 -7.043 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -7.031 -7.115 -9.321 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.151 -1.828 -9.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.487 -6.133 -11.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.758 -1.924 -12.165 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.419 -4.049 -13.218 1.00 0.00 H new ATOM 824 N SER A 56 -3.744 -0.982 -6.081 1.00 0.00 N ATOM 825 CA SER A 56 -3.397 0.028 -5.089 1.00 0.00 C ATOM 826 C SER A 56 -4.359 -0.018 -3.906 1.00 0.00 C ATOM 827 O SER A 56 -4.002 0.347 -2.787 1.00 0.00 O ATOM 828 CB SER A 56 -3.415 1.421 -5.722 1.00 0.00 C ATOM 829 OG SER A 56 -3.772 2.409 -4.770 1.00 0.00 O ATOM 0 H SER A 56 -3.881 -0.618 -7.024 1.00 0.00 H new ATOM 0 HA SER A 56 -2.392 -0.186 -4.725 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.433 1.649 -6.136 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.122 1.438 -6.551 1.00 0.00 H new ATOM 0 HG SER A 56 -3.775 3.290 -5.199 1.00 0.00 H new ATOM 835 N ARG A 57 -5.582 -0.470 -4.164 1.00 0.00 N ATOM 836 CA ARG A 57 -6.598 -0.563 -3.122 1.00 0.00 C ATOM 837 C ARG A 57 -6.354 -1.779 -2.233 1.00 0.00 C ATOM 838 O ARG A 57 -6.674 -1.766 -1.044 1.00 0.00 O ATOM 839 CB ARG A 57 -7.992 -0.645 -3.745 1.00 0.00 C ATOM 840 CG ARG A 57 -9.119 -0.585 -2.727 1.00 0.00 C ATOM 841 CD ARG A 57 -10.192 0.409 -3.142 1.00 0.00 C ATOM 842 NE ARG A 57 -10.790 1.081 -1.991 1.00 0.00 N ATOM 843 CZ ARG A 57 -11.590 0.476 -1.121 1.00 0.00 C ATOM 844 NH1 ARG A 57 -11.886 -0.808 -1.269 1.00 0.00 N ATOM 845 NH2 ARG A 57 -12.095 1.155 -0.099 1.00 0.00 N ATOM 0 H ARG A 57 -5.893 -0.777 -5.085 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.535 0.335 -2.507 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.112 0.173 -4.456 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.074 -1.573 -4.311 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.562 -1.574 -2.614 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.717 -0.303 -1.754 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.758 1.152 -3.811 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.969 -0.110 -3.703 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.582 2.069 -1.848 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.499 -1.334 -2.053 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.501 -1.270 -0.599 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.869 2.143 0.019 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.710 0.689 0.569 1.00 0.00 H new ATOM 859 N ASP A 58 -5.786 -2.828 -2.817 1.00 0.00 N ATOM 860 CA ASP A 58 -5.499 -4.052 -2.078 1.00 0.00 C ATOM 861 C ASP A 58 -4.223 -3.903 -1.255 1.00 0.00 C ATOM 862 O ASP A 58 -4.230 -4.102 -0.040 1.00 0.00 O ATOM 863 CB ASP A 58 -5.364 -5.234 -3.040 1.00 0.00 C ATOM 864 CG ASP A 58 -6.696 -5.893 -3.337 1.00 0.00 C ATOM 865 OD1 ASP A 58 -7.725 -5.410 -2.821 1.00 0.00 O ATOM 866 OD2 ASP A 58 -6.710 -6.894 -4.085 1.00 0.00 O ATOM 0 H ASP A 58 -5.515 -2.856 -3.800 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.330 -4.240 -1.398 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.916 -4.891 -3.972 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.684 -5.971 -2.612 1.00 0.00 H new ATOM 871 N VAL A 59 -3.130 -3.553 -1.924 1.00 0.00 N ATOM 872 CA VAL A 59 -1.847 -3.376 -1.254 1.00 0.00 C ATOM 873 C VAL A 59 -1.953 -2.363 -0.121 1.00 0.00 C ATOM 874 O VAL A 59 -1.174 -2.397 0.832 1.00 0.00 O ATOM 875 CB VAL A 59 -0.758 -2.914 -2.241 1.00 0.00 C ATOM 876 CG1 VAL A 59 -1.175 -1.625 -2.932 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.571 -2.738 -1.522 1.00 0.00 C ATOM 0 H VAL A 59 -3.107 -3.386 -2.930 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.568 -4.347 -0.844 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.634 -3.682 -3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.393 -1.314 -3.625 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.102 -1.790 -3.481 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.329 -0.846 -2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.329 -2.411 -2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.464 -1.989 -0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.874 -3.687 -1.079 1.00 0.00 H new ATOM 887 N ARG A 60 -2.923 -1.461 -0.229 1.00 0.00 N ATOM 888 CA ARG A 60 -3.132 -0.437 0.787 1.00 0.00 C ATOM 889 C ARG A 60 -3.779 -1.031 2.034 1.00 0.00 C ATOM 890 O ARG A 60 -3.404 -0.700 3.159 1.00 0.00 O ATOM 891 CB ARG A 60 -4.006 0.690 0.233 1.00 0.00 C ATOM 892 CG ARG A 60 -4.217 1.834 1.212 1.00 0.00 C ATOM 893 CD ARG A 60 -5.612 2.426 1.084 1.00 0.00 C ATOM 894 NE ARG A 60 -6.653 1.434 1.338 1.00 0.00 N ATOM 895 CZ ARG A 60 -7.948 1.727 1.402 1.00 0.00 C ATOM 896 NH1 ARG A 60 -8.357 2.976 1.230 1.00 0.00 N ATOM 897 NH2 ARG A 60 -8.835 0.768 1.637 1.00 0.00 N ATOM 0 H ARG A 60 -3.577 -1.419 -1.011 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.159 -0.031 1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.548 1.080 -0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.976 0.281 -0.049 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.064 1.476 2.230 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.473 2.610 1.032 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.721 3.253 1.786 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.740 2.838 0.083 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.371 0.463 1.474 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.678 3.715 1.048 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.351 3.198 1.280 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.523 -0.194 1.769 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.829 0.993 1.686 1.00 0.00 H new ATOM 911 N TYR A 61 -4.753 -1.911 1.826 1.00 0.00 N ATOM 912 CA TYR A 61 -5.455 -2.549 2.933 1.00 0.00 C ATOM 913 C TYR A 61 -4.513 -3.447 3.730 1.00 0.00 C ATOM 914 O TYR A 61 -4.439 -3.359 4.955 1.00 0.00 O ATOM 915 CB TYR A 61 -6.637 -3.367 2.411 1.00 0.00 C ATOM 916 CG TYR A 61 -7.853 -3.314 3.308 1.00 0.00 C ATOM 917 CD1 TYR A 61 -8.405 -2.097 3.691 1.00 0.00 C ATOM 918 CD2 TYR A 61 -8.451 -4.479 3.772 1.00 0.00 C ATOM 919 CE1 TYR A 61 -9.516 -2.043 4.511 1.00 0.00 C ATOM 920 CE2 TYR A 61 -9.562 -4.434 4.591 1.00 0.00 C ATOM 921 CZ TYR A 61 -10.091 -3.214 4.957 1.00 0.00 C ATOM 922 OH TYR A 61 -11.198 -3.166 5.774 1.00 0.00 O ATOM 0 H TYR A 61 -5.074 -2.198 0.901 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.827 -1.766 3.594 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.910 -3.003 1.420 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.326 -4.405 2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.958 -1.178 3.342 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.040 -5.436 3.487 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.931 -1.089 4.801 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.014 -5.349 4.943 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.480 -4.078 5.997 1.00 0.00 H new ATOM 932 N LYS A 62 -3.793 -4.313 3.023 1.00 0.00 N ATOM 933 CA LYS A 62 -2.853 -5.227 3.661 1.00 0.00 C ATOM 934 C LYS A 62 -1.717 -4.460 4.330 1.00 0.00 C ATOM 935 O LYS A 62 -1.175 -4.895 5.346 1.00 0.00 O ATOM 936 CB LYS A 62 -2.285 -6.207 2.632 1.00 0.00 C ATOM 937 CG LYS A 62 -3.298 -7.227 2.140 1.00 0.00 C ATOM 938 CD LYS A 62 -2.642 -8.564 1.841 1.00 0.00 C ATOM 939 CE LYS A 62 -3.487 -9.400 0.892 1.00 0.00 C ATOM 940 NZ LYS A 62 -4.381 -10.338 1.625 1.00 0.00 N ATOM 0 H LYS A 62 -3.843 -4.401 2.008 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.391 -5.785 4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.904 -5.645 1.779 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.437 -6.732 3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.075 -7.362 2.893 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.787 -6.851 1.241 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.658 -8.398 1.403 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.488 -9.111 2.771 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.088 -8.741 0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.834 -9.966 0.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.940 -10.889 0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.807 -10.983 2.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.022 -9.797 2.241 1.00 0.00 H new ATOM 954 N SER A 63 -1.361 -3.316 3.754 1.00 0.00 N ATOM 955 CA SER A 63 -0.287 -2.490 4.293 1.00 0.00 C ATOM 956 C SER A 63 -0.783 -1.656 5.470 1.00 0.00 C ATOM 957 O SER A 63 -0.004 -1.260 6.336 1.00 0.00 O ATOM 958 CB SER A 63 0.275 -1.574 3.205 1.00 0.00 C ATOM 959 OG SER A 63 1.046 -2.307 2.268 1.00 0.00 O ATOM 0 H SER A 63 -1.801 -2.940 2.914 1.00 0.00 H new ATOM 0 HA SER A 63 0.505 -3.151 4.646 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.544 -1.070 2.692 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.891 -0.799 3.661 1.00 0.00 H new ATOM 0 HG SER A 63 0.490 -2.534 1.493 1.00 0.00 H new ATOM 965 N ASN A 64 -2.086 -1.393 5.494 1.00 0.00 N ATOM 966 CA ASN A 64 -2.687 -0.605 6.564 1.00 0.00 C ATOM 967 C ASN A 64 -2.134 0.817 6.569 1.00 0.00 C ATOM 968 O ASN A 64 -1.996 1.437 7.624 1.00 0.00 O ATOM 969 CB ASN A 64 -2.431 -1.268 7.919 1.00 0.00 C ATOM 970 CG ASN A 64 -3.616 -1.142 8.857 1.00 0.00 C ATOM 971 OD1 ASN A 64 -4.587 -0.445 8.559 1.00 0.00 O ATOM 972 ND2 ASN A 64 -3.542 -1.817 9.998 1.00 0.00 N ATOM 0 H ASN A 64 -2.745 -1.714 4.785 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.761 -0.558 6.387 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.202 -2.323 7.767 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.554 -0.815 8.382 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.309 -1.770 10.669 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.718 -2.382 10.204 1.00 0.00 H new ATOM 979 N LEU A 65 -1.819 1.327 5.384 1.00 0.00 N ATOM 980 CA LEU A 65 -1.282 2.677 5.251 1.00 0.00 C ATOM 981 C LEU A 65 -2.231 3.565 4.452 1.00 0.00 C ATOM 982 O LEU A 65 -2.878 3.125 3.501 1.00 0.00 O ATOM 983 CB LEU A 65 0.089 2.637 4.573 1.00 0.00 C ATOM 984 CG LEU A 65 1.075 1.602 5.115 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.266 1.459 4.181 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.536 1.986 6.514 1.00 0.00 C ATOM 0 H LEU A 65 -1.926 0.827 4.502 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.175 3.099 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.059 2.447 3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.544 3.624 4.660 1.00 0.00 H new ATOM 0 HG LEU A 65 0.567 0.640 5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.957 0.718 4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.921 1.138 3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.775 2.419 4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.237 1.238 6.884 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.027 2.959 6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.675 2.036 7.180 1.00 0.00 H new ATOM 998 N PRO A 66 -2.315 4.845 4.843 1.00 0.00 N ATOM 999 CA PRO A 66 -3.181 5.822 4.175 1.00 0.00 C ATOM 1000 C PRO A 66 -2.681 6.179 2.780 1.00 0.00 C ATOM 1001 O PRO A 66 -1.501 6.009 2.469 1.00 0.00 O ATOM 1002 CB PRO A 66 -3.114 7.042 5.096 1.00 0.00 C ATOM 1003 CG PRO A 66 -1.809 6.913 5.803 1.00 0.00 C ATOM 1004 CD PRO A 66 -1.573 5.437 5.968 1.00 0.00 C ATOM 0 HA PRO A 66 -4.190 5.439 4.026 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.166 7.970 4.527 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.946 7.053 5.800 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.006 7.375 5.228 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.838 7.414 6.770 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.512 5.192 5.923 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.943 5.076 6.928 1.00 0.00 H new ATOM 1012 N LEU A 67 -3.585 6.676 1.942 1.00 0.00 N ATOM 1013 CA LEU A 67 -3.236 7.058 0.578 1.00 0.00 C ATOM 1014 C LEU A 67 -2.032 7.996 0.567 1.00 0.00 C ATOM 1015 O LEU A 67 -1.157 7.891 -0.293 1.00 0.00 O ATOM 1016 CB LEU A 67 -4.427 7.732 -0.104 1.00 0.00 C ATOM 1017 CG LEU A 67 -5.171 8.780 0.724 1.00 0.00 C ATOM 1018 CD1 LEU A 67 -5.300 10.081 -0.053 1.00 0.00 C ATOM 1019 CD2 LEU A 67 -6.543 8.262 1.131 1.00 0.00 C ATOM 0 H LEU A 67 -4.565 6.824 2.183 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.975 6.153 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.075 8.205 -1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.137 6.959 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.595 8.976 1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.832 10.815 0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.307 10.461 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.853 9.901 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.058 9.021 1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.126 8.037 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.428 7.357 1.727 1.00 0.00 H new ATOM 1031 N THR A 68 -1.993 8.912 1.529 1.00 0.00 N ATOM 1032 CA THR A 68 -0.897 9.867 1.631 1.00 0.00 C ATOM 1033 C THR A 68 0.448 9.154 1.711 1.00 0.00 C ATOM 1034 O THR A 68 1.469 9.688 1.280 1.00 0.00 O ATOM 1035 CB THR A 68 -1.057 10.776 2.864 1.00 0.00 C ATOM 1036 OG1 THR A 68 -0.092 11.833 2.822 1.00 0.00 O ATOM 1037 CG2 THR A 68 -0.889 9.980 4.150 1.00 0.00 C ATOM 0 H THR A 68 -2.708 9.013 2.249 1.00 0.00 H new ATOM 0 HA THR A 68 -0.927 10.480 0.730 1.00 0.00 H new ATOM 0 HB THR A 68 -2.061 11.200 2.847 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.201 12.407 3.609 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.006 10.644 5.007 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.644 9.195 4.193 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.104 9.530 4.173 1.00 0.00 H new ATOM 1045 N GLU A 69 0.440 7.945 2.265 1.00 0.00 N ATOM 1046 CA GLU A 69 1.661 7.160 2.400 1.00 0.00 C ATOM 1047 C GLU A 69 1.897 6.302 1.161 1.00 0.00 C ATOM 1048 O GLU A 69 2.925 6.424 0.495 1.00 0.00 O ATOM 1049 CB GLU A 69 1.586 6.270 3.643 1.00 0.00 C ATOM 1050 CG GLU A 69 1.968 6.986 4.928 1.00 0.00 C ATOM 1051 CD GLU A 69 3.415 6.755 5.316 1.00 0.00 C ATOM 1052 OE1 GLU A 69 4.281 6.769 4.417 1.00 0.00 O ATOM 1053 OE2 GLU A 69 3.682 6.561 6.521 1.00 0.00 O ATOM 0 H GLU A 69 -0.398 7.489 2.627 1.00 0.00 H new ATOM 0 HA GLU A 69 2.497 7.852 2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.572 5.882 3.741 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.244 5.412 3.506 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.794 8.055 4.809 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.320 6.645 5.736 1.00 0.00 H new ATOM 1060 N ILE A 70 0.937 5.435 0.857 1.00 0.00 N ATOM 1061 CA ILE A 70 1.039 4.557 -0.302 1.00 0.00 C ATOM 1062 C ILE A 70 1.363 5.349 -1.564 1.00 0.00 C ATOM 1063 O ILE A 70 2.061 4.863 -2.452 1.00 0.00 O ATOM 1064 CB ILE A 70 -0.263 3.765 -0.525 1.00 0.00 C ATOM 1065 CG1 ILE A 70 -0.598 2.932 0.714 1.00 0.00 C ATOM 1066 CG2 ILE A 70 -0.137 2.874 -1.752 1.00 0.00 C ATOM 1067 CD1 ILE A 70 0.433 1.870 1.025 1.00 0.00 C ATOM 0 H ILE A 70 0.079 5.322 1.398 1.00 0.00 H new ATOM 0 HA ILE A 70 1.849 3.857 -0.098 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.076 4.471 -0.695 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.694 3.596 1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.567 2.455 0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.065 2.321 -1.897 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.059 3.489 -2.630 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.685 2.173 -1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.130 1.319 1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.513 1.183 0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.400 2.342 1.202 1.00 0.00 H new ATOM 1079 N ASN A 71 0.851 6.574 -1.635 1.00 0.00 N ATOM 1080 CA ASN A 71 1.086 7.435 -2.788 1.00 0.00 C ATOM 1081 C ASN A 71 2.577 7.704 -2.971 1.00 0.00 C ATOM 1082 O ASN A 71 3.070 7.791 -4.096 1.00 0.00 O ATOM 1083 CB ASN A 71 0.334 8.757 -2.625 1.00 0.00 C ATOM 1084 CG ASN A 71 -1.118 8.653 -3.051 1.00 0.00 C ATOM 1085 OD1 ASN A 71 -1.522 7.678 -3.685 1.00 0.00 O ATOM 1086 ND2 ASN A 71 -1.910 9.661 -2.704 1.00 0.00 N ATOM 0 H ASN A 71 0.271 6.992 -0.908 1.00 0.00 H new ATOM 0 HA ASN A 71 0.716 6.921 -3.675 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.382 9.073 -1.583 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.829 9.528 -3.215 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.896 9.647 -2.963 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.532 10.449 -2.178 1.00 0.00 H new ATOM 1093 N LYS A 72 3.290 7.834 -1.858 1.00 0.00 N ATOM 1094 CA LYS A 72 4.725 8.091 -1.893 1.00 0.00 C ATOM 1095 C LYS A 72 5.509 6.786 -1.985 1.00 0.00 C ATOM 1096 O LYS A 72 6.537 6.715 -2.660 1.00 0.00 O ATOM 1097 CB LYS A 72 5.155 8.871 -0.648 1.00 0.00 C ATOM 1098 CG LYS A 72 6.661 8.996 -0.500 1.00 0.00 C ATOM 1099 CD LYS A 72 7.036 9.729 0.777 1.00 0.00 C ATOM 1100 CE LYS A 72 7.525 8.767 1.849 1.00 0.00 C ATOM 1101 NZ LYS A 72 8.998 8.859 2.047 1.00 0.00 N ATOM 0 H LYS A 72 2.897 7.766 -0.919 1.00 0.00 H new ATOM 0 HA LYS A 72 4.941 8.687 -2.780 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.718 9.869 -0.685 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.751 8.379 0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.111 8.003 -0.496 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.069 9.528 -1.359 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.814 10.462 0.562 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.172 10.281 1.148 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.018 8.983 2.789 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.259 7.747 1.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.292 8.188 2.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.483 8.628 1.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.250 9.825 2.338 1.00 0.00 H new ATOM 1115 N ILE A 73 5.017 5.756 -1.304 1.00 0.00 N ATOM 1116 CA ILE A 73 5.672 4.454 -1.312 1.00 0.00 C ATOM 1117 C ILE A 73 5.642 3.832 -2.704 1.00 0.00 C ATOM 1118 O ILE A 73 6.684 3.505 -3.272 1.00 0.00 O ATOM 1119 CB ILE A 73 5.009 3.485 -0.314 1.00 0.00 C ATOM 1120 CG1 ILE A 73 5.036 4.075 1.097 1.00 0.00 C ATOM 1121 CG2 ILE A 73 5.708 2.134 -0.344 1.00 0.00 C ATOM 1122 CD1 ILE A 73 4.097 3.381 2.060 1.00 0.00 C ATOM 0 H ILE A 73 4.168 5.798 -0.740 1.00 0.00 H new ATOM 0 HA ILE A 73 6.707 4.619 -1.013 1.00 0.00 H new ATOM 0 HB ILE A 73 3.969 3.340 -0.606 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.052 4.017 1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.775 5.132 1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.228 1.460 0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.641 1.712 -1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.756 2.261 -0.073 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.169 3.851 3.041 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.074 3.462 1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.371 2.329 2.141 1.00 0.00 H new ATOM 1134 N LEU A 74 4.441 3.672 -3.248 1.00 0.00 N ATOM 1135 CA LEU A 74 4.274 3.091 -4.576 1.00 0.00 C ATOM 1136 C LEU A 74 5.150 3.808 -5.598 1.00 0.00 C ATOM 1137 O LEU A 74 5.665 3.192 -6.532 1.00 0.00 O ATOM 1138 CB LEU A 74 2.808 3.162 -5.005 1.00 0.00 C ATOM 1139 CG LEU A 74 1.905 2.037 -4.497 1.00 0.00 C ATOM 1140 CD1 LEU A 74 0.460 2.289 -4.900 1.00 0.00 C ATOM 1141 CD2 LEU A 74 2.381 0.691 -5.025 1.00 0.00 C ATOM 0 H LEU A 74 3.568 3.936 -2.791 1.00 0.00 H new ATOM 0 HA LEU A 74 4.582 2.046 -4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.396 4.113 -4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.769 3.169 -6.094 1.00 0.00 H new ATOM 0 HG LEU A 74 1.959 2.017 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.168 1.478 -4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.122 3.233 -4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.388 2.336 -5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.727 -0.098 -4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.357 0.699 -6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.400 0.507 -4.686 1.00 0.00 H new ATOM 1153 N LYS A 75 5.317 5.113 -5.414 1.00 0.00 N ATOM 1154 CA LYS A 75 6.134 5.915 -6.318 1.00 0.00 C ATOM 1155 C LYS A 75 7.618 5.733 -6.016 1.00 0.00 C ATOM 1156 O LYS A 75 8.449 5.729 -6.923 1.00 0.00 O ATOM 1157 CB LYS A 75 5.757 7.394 -6.202 1.00 0.00 C ATOM 1158 CG LYS A 75 5.451 8.049 -7.538 1.00 0.00 C ATOM 1159 CD LYS A 75 3.991 7.876 -7.923 1.00 0.00 C ATOM 1160 CE LYS A 75 3.238 9.196 -7.860 1.00 0.00 C ATOM 1161 NZ LYS A 75 2.904 9.579 -6.460 1.00 0.00 N ATOM 0 H LYS A 75 4.897 5.638 -4.647 1.00 0.00 H new ATOM 0 HA LYS A 75 5.944 5.576 -7.337 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.887 7.489 -5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.574 7.932 -5.721 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.691 9.111 -7.487 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.086 7.615 -8.311 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.925 7.466 -8.931 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.520 7.155 -7.255 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.842 9.980 -8.317 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.321 9.119 -8.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.912 9.888 -6.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.042 8.760 -5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.524 10.356 -6.155 1.00 0.00 H new ATOM 1175 N ASN A 76 7.943 5.581 -4.736 1.00 0.00 N ATOM 1176 CA ASN A 76 9.327 5.398 -4.316 1.00 0.00 C ATOM 1177 C ASN A 76 9.949 4.186 -5.004 1.00 0.00 C ATOM 1178 O ASN A 76 10.925 4.312 -5.745 1.00 0.00 O ATOM 1179 CB ASN A 76 9.402 5.230 -2.797 1.00 0.00 C ATOM 1180 CG ASN A 76 10.427 6.151 -2.164 1.00 0.00 C ATOM 1181 OD1 ASN A 76 11.627 6.025 -2.408 1.00 0.00 O ATOM 1182 ND2 ASN A 76 9.956 7.085 -1.344 1.00 0.00 N ATOM 0 H ASN A 76 7.267 5.581 -3.972 1.00 0.00 H new ATOM 0 HA ASN A 76 9.889 6.286 -4.606 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.422 5.429 -2.363 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.652 4.196 -2.560 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.597 7.734 -0.888 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.953 7.153 -1.171 1.00 0.00 H new ATOM 1189 N LEU A 77 9.377 3.013 -4.755 1.00 0.00 N ATOM 1190 CA LEU A 77 9.873 1.778 -5.351 1.00 0.00 C ATOM 1191 C LEU A 77 10.003 1.917 -6.865 1.00 0.00 C ATOM 1192 O LEU A 77 10.917 1.360 -7.472 1.00 0.00 O ATOM 1193 CB LEU A 77 8.940 0.614 -5.013 1.00 0.00 C ATOM 1194 CG LEU A 77 9.152 -0.041 -3.648 1.00 0.00 C ATOM 1195 CD1 LEU A 77 7.941 -0.876 -3.262 1.00 0.00 C ATOM 1196 CD2 LEU A 77 10.411 -0.897 -3.657 1.00 0.00 C ATOM 0 H LEU A 77 8.569 2.891 -4.144 1.00 0.00 H new ATOM 0 HA LEU A 77 10.861 1.576 -4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.912 0.971 -5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.052 -0.150 -5.782 1.00 0.00 H new ATOM 0 HG LEU A 77 9.277 0.746 -2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.111 -1.334 -2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.059 -0.237 -3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.784 -1.656 -4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.546 -1.355 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.315 -1.677 -4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.274 -0.272 -3.887 1.00 0.00 H new ATOM 1208 N GLU A 78 9.084 2.666 -7.466 1.00 0.00 N ATOM 1209 CA GLU A 78 9.097 2.879 -8.908 1.00 0.00 C ATOM 1210 C GLU A 78 10.417 3.502 -9.354 1.00 0.00 C ATOM 1211 O GLU A 78 11.132 2.939 -10.184 1.00 0.00 O ATOM 1212 CB GLU A 78 7.931 3.778 -9.324 1.00 0.00 C ATOM 1213 CG GLU A 78 7.384 3.465 -10.707 1.00 0.00 C ATOM 1214 CD GLU A 78 7.768 4.510 -11.737 1.00 0.00 C ATOM 1215 OE1 GLU A 78 8.875 4.405 -12.305 1.00 0.00 O ATOM 1216 OE2 GLU A 78 6.960 5.432 -11.974 1.00 0.00 O ATOM 0 H GLU A 78 8.322 3.135 -6.977 1.00 0.00 H new ATOM 0 HA GLU A 78 8.990 1.909 -9.393 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.128 3.678 -8.594 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.258 4.818 -9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.754 2.491 -11.028 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.298 3.393 -10.656 1.00 0.00 H new ATOM 1223 N SER A 79 10.733 4.667 -8.797 1.00 0.00 N ATOM 1224 CA SER A 79 11.965 5.369 -9.140 1.00 0.00 C ATOM 1225 C SER A 79 13.183 4.486 -8.883 1.00 0.00 C ATOM 1226 O SER A 79 14.171 4.542 -9.615 1.00 0.00 O ATOM 1227 CB SER A 79 12.080 6.664 -8.334 1.00 0.00 C ATOM 1228 OG SER A 79 13.226 7.404 -8.718 1.00 0.00 O ATOM 0 H SER A 79 10.153 5.145 -8.107 1.00 0.00 H new ATOM 0 HA SER A 79 11.932 5.612 -10.202 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.186 7.269 -8.483 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.134 6.431 -7.271 1.00 0.00 H new ATOM 0 HG SER A 79 13.276 8.228 -8.189 1.00 0.00 H new ATOM 1234 N LYS A 80 13.104 3.671 -7.837 1.00 0.00 N ATOM 1235 CA LYS A 80 14.198 2.774 -7.481 1.00 0.00 C ATOM 1236 C LYS A 80 14.360 1.673 -8.524 1.00 0.00 C ATOM 1237 O LYS A 80 15.358 0.953 -8.532 1.00 0.00 O ATOM 1238 CB LYS A 80 13.949 2.154 -6.104 1.00 0.00 C ATOM 1239 CG LYS A 80 13.520 3.162 -5.052 1.00 0.00 C ATOM 1240 CD LYS A 80 14.407 3.093 -3.820 1.00 0.00 C ATOM 1241 CE LYS A 80 13.897 4.005 -2.714 1.00 0.00 C ATOM 1242 NZ LYS A 80 14.213 3.467 -1.362 1.00 0.00 N ATOM 0 H LYS A 80 12.294 3.613 -7.220 1.00 0.00 H new ATOM 0 HA LYS A 80 15.118 3.358 -7.449 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.181 1.386 -6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.859 1.657 -5.769 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.557 4.167 -5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.485 2.974 -4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.447 2.066 -3.457 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.425 3.377 -4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.342 4.994 -2.825 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.818 4.128 -2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.849 4.117 -0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.767 2.534 -1.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.244 3.374 -1.258 1.00 0.00 H new ATOM 1256 N LYS A 81 13.372 1.548 -9.404 1.00 0.00 N ATOM 1257 CA LYS A 81 13.405 0.537 -10.454 1.00 0.00 C ATOM 1258 C LYS A 81 13.393 -0.867 -9.858 1.00 0.00 C ATOM 1259 O LYS A 81 14.001 -1.789 -10.402 1.00 0.00 O ATOM 1260 CB LYS A 81 14.648 0.720 -11.328 1.00 0.00 C ATOM 1261 CG LYS A 81 14.461 0.247 -12.759 1.00 0.00 C ATOM 1262 CD LYS A 81 15.723 -0.405 -13.300 1.00 0.00 C ATOM 1263 CE LYS A 81 15.397 -1.562 -14.232 1.00 0.00 C ATOM 1264 NZ LYS A 81 16.627 -2.220 -14.751 1.00 0.00 N ATOM 0 H LYS A 81 12.538 2.135 -9.411 1.00 0.00 H new ATOM 0 HA LYS A 81 12.514 0.660 -11.070 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.924 1.774 -11.336 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.480 0.176 -10.880 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.636 -0.463 -12.803 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.188 1.093 -13.390 1.00 0.00 H new ATOM 0 HD2 LYS A 81 16.317 0.337 -13.833 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.332 -0.765 -12.471 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.789 -2.295 -13.702 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.800 -1.198 -15.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.362 -3.003 -15.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 17.195 -1.527 -15.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 17.185 -2.590 -13.955 1.00 0.00 H new ATOM 1278 N LEU A 82 12.695 -1.023 -8.738 1.00 0.00 N ATOM 1279 CA LEU A 82 12.602 -2.316 -8.069 1.00 0.00 C ATOM 1280 C LEU A 82 11.301 -3.025 -8.432 1.00 0.00 C ATOM 1281 O LEU A 82 11.220 -4.253 -8.391 1.00 0.00 O ATOM 1282 CB LEU A 82 12.690 -2.134 -6.552 1.00 0.00 C ATOM 1283 CG LEU A 82 14.030 -1.633 -6.013 1.00 0.00 C ATOM 1284 CD1 LEU A 82 13.890 -1.187 -4.566 1.00 0.00 C ATOM 1285 CD2 LEU A 82 15.094 -2.714 -6.140 1.00 0.00 C ATOM 0 H LEU A 82 12.186 -0.271 -8.274 1.00 0.00 H new ATOM 0 HA LEU A 82 13.436 -2.932 -8.405 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.913 -1.434 -6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.465 -3.089 -6.078 1.00 0.00 H new ATOM 0 HG LEU A 82 14.341 -0.774 -6.608 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.854 -0.834 -4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.160 -0.380 -4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.556 -2.027 -3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 82 16.041 -2.340 -5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.790 -3.592 -5.571 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.214 -2.985 -7.189 1.00 0.00 H new ATOM 1297 N ILE A 83 10.288 -2.244 -8.791 1.00 0.00 N ATOM 1298 CA ILE A 83 8.993 -2.797 -9.166 1.00 0.00 C ATOM 1299 C ILE A 83 8.576 -2.329 -10.556 1.00 0.00 C ATOM 1300 O ILE A 83 9.252 -1.508 -11.175 1.00 0.00 O ATOM 1301 CB ILE A 83 7.899 -2.405 -8.155 1.00 0.00 C ATOM 1302 CG1 ILE A 83 7.795 -0.882 -8.048 1.00 0.00 C ATOM 1303 CG2 ILE A 83 8.191 -3.018 -6.793 1.00 0.00 C ATOM 1304 CD1 ILE A 83 6.728 -0.415 -7.084 1.00 0.00 C ATOM 0 H ILE A 83 10.339 -1.226 -8.830 1.00 0.00 H new ATOM 0 HA ILE A 83 9.103 -3.881 -9.168 1.00 0.00 H new ATOM 0 HB ILE A 83 6.943 -2.792 -8.508 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.758 -0.482 -7.733 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.586 -0.470 -9.035 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.409 -2.732 -6.090 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.220 -4.104 -6.881 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.154 -2.658 -6.431 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.711 0.675 -7.059 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.756 -0.785 -7.410 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.946 -0.797 -6.087 1.00 0.00 H new ATOM 1316 N LYS A 84 7.457 -2.856 -11.041 1.00 0.00 N ATOM 1317 CA LYS A 84 6.946 -2.491 -12.357 1.00 0.00 C ATOM 1318 C LYS A 84 5.440 -2.253 -12.309 1.00 0.00 C ATOM 1319 O LYS A 84 4.673 -3.141 -11.937 1.00 0.00 O ATOM 1320 CB LYS A 84 7.268 -3.588 -13.374 1.00 0.00 C ATOM 1321 CG LYS A 84 6.675 -4.940 -13.018 1.00 0.00 C ATOM 1322 CD LYS A 84 7.524 -6.080 -13.555 1.00 0.00 C ATOM 1323 CE LYS A 84 6.663 -7.241 -14.030 1.00 0.00 C ATOM 1324 NZ LYS A 84 7.116 -8.538 -13.457 1.00 0.00 N ATOM 0 H LYS A 84 6.886 -3.538 -10.542 1.00 0.00 H new ATOM 0 HA LYS A 84 7.433 -1.565 -12.664 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.897 -3.284 -14.353 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.350 -3.686 -13.459 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.590 -5.027 -11.935 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.666 -5.014 -13.424 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.138 -5.720 -14.380 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.205 -6.425 -12.777 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.625 -7.062 -13.749 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.694 -7.294 -15.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.338 -9.226 -13.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.924 -8.896 -14.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.403 -8.399 -12.467 1.00 0.00 H new ATOM 1338 N ALA A 85 5.023 -1.050 -12.689 1.00 0.00 N ATOM 1339 CA ALA A 85 3.609 -0.697 -12.693 1.00 0.00 C ATOM 1340 C ALA A 85 2.913 -1.234 -13.940 1.00 0.00 C ATOM 1341 O ALA A 85 3.478 -1.218 -15.033 1.00 0.00 O ATOM 1342 CB ALA A 85 3.441 0.812 -12.601 1.00 0.00 C ATOM 0 H ALA A 85 5.645 -0.303 -12.998 1.00 0.00 H new ATOM 0 HA ALA A 85 3.143 -1.157 -11.822 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.380 1.061 -12.605 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.895 1.173 -11.678 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.928 1.285 -13.454 1.00 0.00 H new ATOM 1348 N VAL A 86 1.683 -1.708 -13.767 1.00 0.00 N ATOM 1349 CA VAL A 86 0.910 -2.249 -14.879 1.00 0.00 C ATOM 1350 C VAL A 86 -0.489 -1.644 -14.920 1.00 0.00 C ATOM 1351 O VAL A 86 -1.287 -1.832 -14.001 1.00 0.00 O ATOM 1352 CB VAL A 86 0.792 -3.782 -14.787 1.00 0.00 C ATOM 1353 CG1 VAL A 86 2.102 -4.443 -15.186 1.00 0.00 C ATOM 1354 CG2 VAL A 86 0.379 -4.201 -13.384 1.00 0.00 C ATOM 0 H VAL A 86 1.201 -1.728 -12.868 1.00 0.00 H new ATOM 0 HA VAL A 86 1.443 -1.988 -15.793 1.00 0.00 H new ATOM 0 HB VAL A 86 0.020 -4.112 -15.482 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.000 -5.526 -15.115 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.351 -4.169 -16.211 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.896 -4.109 -14.518 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.300 -5.287 -13.337 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.126 -3.860 -12.668 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.586 -3.757 -13.141 1.00 0.00 H new ATOM 1364 N LYS A 87 -0.782 -0.917 -15.993 1.00 0.00 N ATOM 1365 CA LYS A 87 -2.086 -0.285 -16.158 1.00 0.00 C ATOM 1366 C LYS A 87 -3.082 -1.250 -16.792 1.00 0.00 C ATOM 1367 O LYS A 87 -2.701 -2.139 -17.553 1.00 0.00 O ATOM 1368 CB LYS A 87 -1.960 0.974 -17.019 1.00 0.00 C ATOM 1369 CG LYS A 87 -1.543 0.692 -18.452 1.00 0.00 C ATOM 1370 CD LYS A 87 -0.230 1.376 -18.795 1.00 0.00 C ATOM 1371 CE LYS A 87 0.323 0.885 -20.124 1.00 0.00 C ATOM 1372 NZ LYS A 87 1.647 0.222 -19.962 1.00 0.00 N ATOM 0 H LYS A 87 -0.133 -0.751 -16.762 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.455 -0.007 -15.171 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.916 1.498 -17.024 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.232 1.645 -16.563 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.443 -0.384 -18.598 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.322 1.035 -19.133 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.381 2.455 -18.839 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.497 1.187 -18.005 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.381 0.185 -20.574 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.419 1.726 -20.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.991 -0.099 -20.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.326 0.897 -19.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.550 -0.596 -19.327 1.00 0.00 H new