USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=8 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= -0.251 X(o=-0.25,f=-0.073) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) 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 99:sc= 0.151 USER MOD Single : A 64 ASN : amide:sc=-0.000109 K(o=-0.00011,f=-0.84) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.792 K(o=-0.79,f=-2.4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0292) USER MOD Single : A 76 ASN : amide:sc= -0.0279 K(o=-0.028,f=-1.6!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 229 N LEU A 19 -5.576 1.013 -10.018 1.00 0.00 N ATOM 230 CA LEU A 19 -4.461 0.584 -10.855 1.00 0.00 C ATOM 231 C LEU A 19 -3.812 -0.677 -10.294 1.00 0.00 C ATOM 232 O LEU A 19 -3.901 -0.953 -9.097 1.00 0.00 O ATOM 233 CB LEU A 19 -3.421 1.701 -10.966 1.00 0.00 C ATOM 234 CG LEU A 19 -3.511 2.581 -12.213 1.00 0.00 C ATOM 235 CD1 LEU A 19 -3.519 4.052 -11.829 1.00 0.00 C ATOM 236 CD2 LEU A 19 -2.359 2.281 -13.161 1.00 0.00 C ATOM 0 HA LEU A 19 -4.850 0.359 -11.848 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.509 2.340 -10.088 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.429 1.251 -10.935 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.446 2.356 -12.726 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.583 4.663 -12.730 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.378 4.256 -11.190 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.601 4.293 -11.292 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.439 2.916 -14.043 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.413 2.477 -12.657 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.399 1.234 -13.463 1.00 0.00 H new ATOM 248 N LEU A 20 -3.159 -1.438 -11.165 1.00 0.00 N ATOM 249 CA LEU A 20 -2.492 -2.669 -10.756 1.00 0.00 C ATOM 250 C LEU A 20 -0.989 -2.453 -10.615 1.00 0.00 C ATOM 251 O LEU A 20 -0.407 -1.603 -11.289 1.00 0.00 O ATOM 252 CB LEU A 20 -2.766 -3.781 -11.770 1.00 0.00 C ATOM 253 CG LEU A 20 -2.438 -5.203 -11.312 1.00 0.00 C ATOM 254 CD1 LEU A 20 -3.180 -5.534 -10.026 1.00 0.00 C ATOM 255 CD2 LEU A 20 -2.781 -6.207 -12.402 1.00 0.00 C ATOM 0 H LEU A 20 -3.077 -1.224 -12.159 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.890 -2.964 -9.785 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.820 -3.743 -12.045 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.194 -3.571 -12.673 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.368 -5.263 -11.115 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.934 -6.550 -9.715 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.884 -4.834 -9.245 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.254 -5.456 -10.195 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.541 -7.213 -12.058 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.845 -6.146 -12.631 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.203 -5.982 -13.299 1.00 0.00 H new ATOM 267 N TYR A 21 -0.365 -3.230 -9.736 1.00 0.00 N ATOM 268 CA TYR A 21 1.071 -3.124 -9.507 1.00 0.00 C ATOM 269 C TYR A 21 1.716 -4.505 -9.440 1.00 0.00 C ATOM 270 O TYR A 21 1.042 -5.506 -9.193 1.00 0.00 O ATOM 271 CB TYR A 21 1.347 -2.358 -8.212 1.00 0.00 C ATOM 272 CG TYR A 21 1.492 -0.866 -8.410 1.00 0.00 C ATOM 273 CD1 TYR A 21 0.377 -0.037 -8.436 1.00 0.00 C ATOM 274 CD2 TYR A 21 2.744 -0.285 -8.570 1.00 0.00 C ATOM 275 CE1 TYR A 21 0.505 1.326 -8.618 1.00 0.00 C ATOM 276 CE2 TYR A 21 2.881 1.077 -8.751 1.00 0.00 C ATOM 277 CZ TYR A 21 1.759 1.879 -8.775 1.00 0.00 C ATOM 278 OH TYR A 21 1.891 3.237 -8.954 1.00 0.00 O ATOM 0 H TYR A 21 -0.831 -3.940 -9.171 1.00 0.00 H new ATOM 0 HA TYR A 21 1.507 -2.579 -10.344 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.535 -2.546 -7.509 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.259 -2.746 -7.758 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.606 -0.466 -8.312 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.625 -0.909 -8.552 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.372 1.956 -8.637 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.862 1.512 -8.873 1.00 0.00 H new ATOM 0 HH TYR A 21 2.840 3.464 -9.048 1.00 0.00 H new ATOM 288 N ARG A 22 3.025 -4.551 -9.662 1.00 0.00 N ATOM 289 CA ARG A 22 3.762 -5.809 -9.629 1.00 0.00 C ATOM 290 C ARG A 22 5.249 -5.561 -9.388 1.00 0.00 C ATOM 291 O ARG A 22 5.758 -4.473 -9.657 1.00 0.00 O ATOM 292 CB ARG A 22 3.567 -6.574 -10.939 1.00 0.00 C ATOM 293 CG ARG A 22 2.410 -7.558 -10.903 1.00 0.00 C ATOM 294 CD ARG A 22 2.424 -8.479 -12.114 1.00 0.00 C ATOM 295 NE ARG A 22 1.572 -7.980 -13.190 1.00 0.00 N ATOM 296 CZ ARG A 22 1.497 -8.545 -14.389 1.00 0.00 C ATOM 297 NH1 ARG A 22 2.218 -9.622 -14.665 1.00 0.00 N ATOM 298 NH2 ARG A 22 0.697 -8.032 -15.317 1.00 0.00 N ATOM 0 H ARG A 22 3.597 -3.732 -9.867 1.00 0.00 H new ATOM 0 HA ARG A 22 3.373 -6.408 -8.806 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.401 -5.860 -11.746 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.484 -7.113 -11.175 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.465 -8.153 -9.991 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.467 -7.012 -10.871 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.446 -8.583 -12.479 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.089 -9.473 -11.818 1.00 0.00 H new ATOM 0 HE ARG A 22 1.004 -7.152 -13.011 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.833 -10.020 -13.955 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.158 -10.053 -15.587 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.140 -7.203 -15.109 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.640 -8.467 -16.238 1.00 0.00 H new ATOM 312 N ILE A 23 5.937 -6.577 -8.879 1.00 0.00 N ATOM 313 CA ILE A 23 7.365 -6.470 -8.603 1.00 0.00 C ATOM 314 C ILE A 23 8.191 -6.805 -9.840 1.00 0.00 C ATOM 315 O ILE A 23 7.737 -7.530 -10.726 1.00 0.00 O ATOM 316 CB ILE A 23 7.786 -7.400 -7.450 1.00 0.00 C ATOM 317 CG1 ILE A 23 7.421 -8.850 -7.776 1.00 0.00 C ATOM 318 CG2 ILE A 23 7.130 -6.962 -6.149 1.00 0.00 C ATOM 319 CD1 ILE A 23 8.262 -9.866 -7.036 1.00 0.00 C ATOM 0 H ILE A 23 5.529 -7.483 -8.649 1.00 0.00 H new ATOM 0 HA ILE A 23 7.554 -5.436 -8.313 1.00 0.00 H new ATOM 0 HB ILE A 23 8.867 -7.336 -7.328 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.371 -9.015 -7.535 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.531 -9.011 -8.848 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.437 -7.629 -5.344 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.436 -5.943 -5.912 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.046 -7.000 -6.257 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.948 -10.872 -7.316 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.312 -9.728 -7.296 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.134 -9.732 -5.962 1.00 0.00 H new ATOM 331 N LYS A 24 9.408 -6.274 -9.894 1.00 0.00 N ATOM 332 CA LYS A 24 10.300 -6.518 -11.020 1.00 0.00 C ATOM 333 C LYS A 24 11.360 -7.554 -10.660 1.00 0.00 C ATOM 334 O LYS A 24 12.151 -7.353 -9.738 1.00 0.00 O ATOM 335 CB LYS A 24 10.974 -5.214 -11.455 1.00 0.00 C ATOM 336 CG LYS A 24 10.880 -4.949 -12.947 1.00 0.00 C ATOM 337 CD LYS A 24 12.245 -5.005 -13.611 1.00 0.00 C ATOM 338 CE LYS A 24 12.137 -4.866 -15.122 1.00 0.00 C ATOM 339 NZ LYS A 24 12.697 -6.050 -15.830 1.00 0.00 N ATOM 0 H LYS A 24 9.799 -5.671 -9.170 1.00 0.00 H new ATOM 0 HA LYS A 24 9.704 -6.906 -11.846 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.518 -4.382 -10.917 1.00 0.00 H new ATOM 0 HB3 LYS A 24 12.024 -5.244 -11.165 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.220 -5.685 -13.407 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.432 -3.970 -13.116 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.876 -4.209 -13.216 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.732 -5.949 -13.365 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.091 -4.737 -15.401 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.665 -3.968 -15.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.604 -5.916 -16.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.702 -6.158 -15.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.177 -6.904 -15.544 1.00 0.00 H new ATOM 583 N LEU A 41 7.298 -3.344 3.749 1.00 0.00 N ATOM 584 CA LEU A 41 5.976 -3.912 3.994 1.00 0.00 C ATOM 585 C LEU A 41 5.138 -3.908 2.720 1.00 0.00 C ATOM 586 O LEU A 41 4.259 -4.751 2.540 1.00 0.00 O ATOM 587 CB LEU A 41 5.258 -3.127 5.093 1.00 0.00 C ATOM 588 CG LEU A 41 3.862 -3.624 5.470 1.00 0.00 C ATOM 589 CD1 LEU A 41 3.950 -4.706 6.534 1.00 0.00 C ATOM 590 CD2 LEU A 41 2.996 -2.469 5.951 1.00 0.00 C ATOM 0 HA LEU A 41 6.105 -4.944 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.881 -3.141 5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.178 -2.087 4.776 1.00 0.00 H new ATOM 0 HG LEU A 41 3.398 -4.054 4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.947 -5.047 6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.533 -5.545 6.153 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.434 -4.303 7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.006 -2.842 6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.456 -2.009 6.826 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.905 -1.728 5.157 1.00 0.00 H new ATOM 602 N VAL A 42 5.417 -2.955 1.836 1.00 0.00 N ATOM 603 CA VAL A 42 4.691 -2.843 0.577 1.00 0.00 C ATOM 604 C VAL A 42 5.232 -3.822 -0.458 1.00 0.00 C ATOM 605 O VAL A 42 4.484 -4.618 -1.027 1.00 0.00 O ATOM 606 CB VAL A 42 4.772 -1.414 0.007 1.00 0.00 C ATOM 607 CG1 VAL A 42 3.892 -1.280 -1.227 1.00 0.00 C ATOM 608 CG2 VAL A 42 4.378 -0.396 1.066 1.00 0.00 C ATOM 0 H VAL A 42 6.141 -2.249 1.969 1.00 0.00 H new ATOM 0 HA VAL A 42 3.649 -3.083 0.790 1.00 0.00 H new ATOM 0 HB VAL A 42 5.802 -1.217 -0.289 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.962 -0.264 -1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.225 -1.984 -1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.857 -1.496 -0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.441 0.608 0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.357 -0.589 1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.054 -0.476 1.917 1.00 0.00 H new ATOM 618 N TYR A 43 6.537 -3.760 -0.698 1.00 0.00 N ATOM 619 CA TYR A 43 7.179 -4.640 -1.666 1.00 0.00 C ATOM 620 C TYR A 43 6.835 -6.100 -1.388 1.00 0.00 C ATOM 621 O TYR A 43 6.766 -6.918 -2.305 1.00 0.00 O ATOM 622 CB TYR A 43 8.697 -4.448 -1.634 1.00 0.00 C ATOM 623 CG TYR A 43 9.420 -5.152 -2.760 1.00 0.00 C ATOM 624 CD1 TYR A 43 9.810 -6.480 -2.638 1.00 0.00 C ATOM 625 CD2 TYR A 43 9.712 -4.490 -3.946 1.00 0.00 C ATOM 626 CE1 TYR A 43 10.472 -7.127 -3.664 1.00 0.00 C ATOM 627 CE2 TYR A 43 10.373 -5.129 -4.977 1.00 0.00 C ATOM 628 CZ TYR A 43 10.751 -6.448 -4.831 1.00 0.00 C ATOM 629 OH TYR A 43 11.409 -7.089 -5.856 1.00 0.00 O ATOM 0 H TYR A 43 7.171 -3.109 -0.235 1.00 0.00 H new ATOM 0 HA TYR A 43 6.807 -4.380 -2.657 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.921 -3.382 -1.680 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.081 -4.814 -0.682 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.592 -7.016 -1.726 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.417 -3.458 -4.064 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.769 -8.159 -3.552 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.593 -4.599 -5.892 1.00 0.00 H new ATOM 0 HH TYR A 43 11.526 -6.470 -6.607 1.00 0.00 H new ATOM 639 N GLN A 44 6.618 -6.418 -0.116 1.00 0.00 N ATOM 640 CA GLN A 44 6.280 -7.779 0.284 1.00 0.00 C ATOM 641 C GLN A 44 4.907 -8.177 -0.247 1.00 0.00 C ATOM 642 O GLN A 44 4.726 -9.283 -0.757 1.00 0.00 O ATOM 643 CB GLN A 44 6.307 -7.907 1.808 1.00 0.00 C ATOM 644 CG GLN A 44 7.694 -8.171 2.372 1.00 0.00 C ATOM 645 CD GLN A 44 8.185 -9.575 2.081 1.00 0.00 C ATOM 646 OE1 GLN A 44 7.896 -10.513 2.826 1.00 0.00 O ATOM 647 NE2 GLN A 44 8.931 -9.729 0.994 1.00 0.00 N ATOM 0 H GLN A 44 6.670 -5.752 0.655 1.00 0.00 H new ATOM 0 HA GLN A 44 7.024 -8.452 -0.143 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.913 -6.991 2.248 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.642 -8.717 2.108 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.396 -7.450 1.952 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.680 -8.011 3.450 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.146 -8.925 0.405 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.289 -10.652 0.748 1.00 0.00 H new ATOM 656 N ILE A 45 3.944 -7.270 -0.123 1.00 0.00 N ATOM 657 CA ILE A 45 2.588 -7.527 -0.592 1.00 0.00 C ATOM 658 C ILE A 45 2.536 -7.594 -2.114 1.00 0.00 C ATOM 659 O ILE A 45 1.847 -8.440 -2.685 1.00 0.00 O ATOM 660 CB ILE A 45 1.609 -6.444 -0.102 1.00 0.00 C ATOM 661 CG1 ILE A 45 1.620 -6.369 1.426 1.00 0.00 C ATOM 662 CG2 ILE A 45 0.205 -6.730 -0.614 1.00 0.00 C ATOM 663 CD1 ILE A 45 1.012 -5.096 1.972 1.00 0.00 C ATOM 0 H ILE A 45 4.078 -6.351 0.298 1.00 0.00 H new ATOM 0 HA ILE A 45 2.288 -8.490 -0.179 1.00 0.00 H new ATOM 0 HB ILE A 45 1.929 -5.480 -0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.076 -7.224 1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.648 -6.452 1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.476 -5.956 -0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.210 -6.738 -1.704 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.126 -7.701 -0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.053 -5.111 3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.570 -4.237 1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.026 -5.021 1.649 1.00 0.00 H new ATOM 675 N ILE A 46 3.269 -6.697 -2.765 1.00 0.00 N ATOM 676 CA ILE A 46 3.309 -6.656 -4.222 1.00 0.00 C ATOM 677 C ILE A 46 4.039 -7.870 -4.787 1.00 0.00 C ATOM 678 O ILE A 46 3.665 -8.400 -5.832 1.00 0.00 O ATOM 679 CB ILE A 46 3.995 -5.375 -4.731 1.00 0.00 C ATOM 680 CG1 ILE A 46 3.266 -4.136 -4.206 1.00 0.00 C ATOM 681 CG2 ILE A 46 4.040 -5.366 -6.251 1.00 0.00 C ATOM 682 CD1 ILE A 46 3.967 -2.837 -4.537 1.00 0.00 C ATOM 0 H ILE A 46 3.843 -5.989 -2.307 1.00 0.00 H new ATOM 0 HA ILE A 46 2.275 -6.665 -4.566 1.00 0.00 H new ATOM 0 HB ILE A 46 5.019 -5.356 -4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.259 -4.113 -4.623 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.161 -4.217 -3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.528 -4.454 -6.595 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.600 -6.232 -6.604 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.025 -5.405 -6.645 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.394 -2.002 -4.134 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.964 -2.839 -4.097 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.048 -2.733 -5.619 1.00 0.00 H new ATOM 694 N GLU A 47 5.081 -8.305 -4.086 1.00 0.00 N ATOM 695 CA GLU A 47 5.864 -9.458 -4.518 1.00 0.00 C ATOM 696 C GLU A 47 5.042 -10.740 -4.422 1.00 0.00 C ATOM 697 O GLU A 47 5.106 -11.598 -5.301 1.00 0.00 O ATOM 698 CB GLU A 47 7.132 -9.587 -3.672 1.00 0.00 C ATOM 699 CG GLU A 47 7.954 -10.824 -3.993 1.00 0.00 C ATOM 700 CD GLU A 47 8.179 -11.706 -2.781 1.00 0.00 C ATOM 701 OE1 GLU A 47 8.323 -11.157 -1.668 1.00 0.00 O ATOM 702 OE2 GLU A 47 8.212 -12.943 -2.944 1.00 0.00 O ATOM 0 H GLU A 47 5.403 -7.878 -3.218 1.00 0.00 H new ATOM 0 HA GLU A 47 6.145 -9.305 -5.560 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.750 -8.702 -3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.855 -9.608 -2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.449 -11.400 -4.768 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.918 -10.519 -4.400 1.00 0.00 H new ATOM 709 N ASP A 48 4.271 -10.862 -3.346 1.00 0.00 N ATOM 710 CA ASP A 48 3.436 -12.038 -3.134 1.00 0.00 C ATOM 711 C ASP A 48 2.444 -12.215 -4.279 1.00 0.00 C ATOM 712 O ASP A 48 2.031 -13.332 -4.589 1.00 0.00 O ATOM 713 CB ASP A 48 2.685 -11.924 -1.806 1.00 0.00 C ATOM 714 CG ASP A 48 1.530 -12.901 -1.708 1.00 0.00 C ATOM 715 OD1 ASP A 48 1.775 -14.121 -1.810 1.00 0.00 O ATOM 716 OD2 ASP A 48 0.381 -12.445 -1.529 1.00 0.00 O ATOM 0 H ASP A 48 4.207 -10.161 -2.608 1.00 0.00 H new ATOM 0 HA ASP A 48 4.086 -12.913 -3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.378 -12.102 -0.984 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.308 -10.908 -1.691 1.00 0.00 H new ATOM 721 N ALA A 49 2.066 -11.104 -4.904 1.00 0.00 N ATOM 722 CA ALA A 49 1.123 -11.136 -6.015 1.00 0.00 C ATOM 723 C ALA A 49 1.739 -11.806 -7.239 1.00 0.00 C ATOM 724 O ALA A 49 1.043 -12.446 -8.025 1.00 0.00 O ATOM 725 CB ALA A 49 0.663 -9.727 -6.358 1.00 0.00 C ATOM 0 H ALA A 49 2.399 -10.171 -4.660 1.00 0.00 H new ATOM 0 HA ALA A 49 0.258 -11.724 -5.708 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.041 -9.766 -7.189 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.175 -9.282 -5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.524 -9.122 -6.640 1.00 0.00 H new ATOM 731 N GLY A 50 3.051 -11.655 -7.393 1.00 0.00 N ATOM 732 CA GLY A 50 3.739 -12.250 -8.524 1.00 0.00 C ATOM 733 C GLY A 50 3.251 -11.706 -9.851 1.00 0.00 C ATOM 734 O GLY A 50 3.463 -10.536 -10.166 1.00 0.00 O ATOM 0 H GLY A 50 3.650 -11.131 -6.755 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.809 -12.067 -8.431 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.598 -13.331 -8.504 1.00 0.00 H new ATOM 738 N ASN A 51 2.596 -12.558 -10.634 1.00 0.00 N ATOM 739 CA ASN A 51 2.078 -12.157 -11.936 1.00 0.00 C ATOM 740 C ASN A 51 0.665 -11.596 -11.811 1.00 0.00 C ATOM 741 O ASN A 51 0.236 -10.776 -12.622 1.00 0.00 O ATOM 742 CB ASN A 51 2.084 -13.345 -12.899 1.00 0.00 C ATOM 743 CG ASN A 51 1.951 -12.917 -14.348 1.00 0.00 C ATOM 744 OD1 ASN A 51 0.843 -12.777 -14.866 1.00 0.00 O ATOM 745 ND2 ASN A 51 3.083 -12.706 -15.009 1.00 0.00 N ATOM 0 H ASN A 51 2.412 -13.531 -10.389 1.00 0.00 H new ATOM 0 HA ASN A 51 2.726 -11.375 -12.331 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.010 -13.907 -12.773 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.265 -14.019 -12.646 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.056 -12.416 -15.986 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.979 -12.834 -14.539 1.00 0.00 H new ATOM 752 N LYS A 52 -0.055 -12.045 -10.788 1.00 0.00 N ATOM 753 CA LYS A 52 -1.419 -11.588 -10.553 1.00 0.00 C ATOM 754 C LYS A 52 -1.445 -10.101 -10.216 1.00 0.00 C ATOM 755 O LYS A 52 -2.431 -9.413 -10.476 1.00 0.00 O ATOM 756 CB LYS A 52 -2.059 -12.390 -9.417 1.00 0.00 C ATOM 757 CG LYS A 52 -1.915 -13.894 -9.578 1.00 0.00 C ATOM 758 CD LYS A 52 -3.239 -14.607 -9.362 1.00 0.00 C ATOM 759 CE LYS A 52 -3.840 -15.077 -10.678 1.00 0.00 C ATOM 760 NZ LYS A 52 -5.000 -15.986 -10.465 1.00 0.00 N ATOM 0 H LYS A 52 0.284 -12.726 -10.108 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.990 -11.745 -11.468 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.607 -12.089 -8.472 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.118 -12.139 -9.358 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.538 -14.120 -10.575 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.179 -14.268 -8.867 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.090 -15.462 -8.703 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.937 -13.936 -8.861 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.158 -14.213 -11.261 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.077 -15.592 -11.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.381 -16.284 -11.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.691 -16.823 -9.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.739 -15.487 -9.930 1.00 0.00 H new ATOM 774 N GLY A 53 -0.353 -9.611 -9.637 1.00 0.00 N ATOM 775 CA GLY A 53 -0.271 -8.207 -9.276 1.00 0.00 C ATOM 776 C GLY A 53 -1.279 -7.823 -8.211 1.00 0.00 C ATOM 777 O GLY A 53 -2.262 -8.532 -7.993 1.00 0.00 O ATOM 0 H GLY A 53 0.476 -10.161 -9.411 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.734 -7.985 -8.917 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.435 -7.596 -10.164 1.00 0.00 H new ATOM 781 N ILE A 54 -1.036 -6.699 -7.545 1.00 0.00 N ATOM 782 CA ILE A 54 -1.930 -6.223 -6.498 1.00 0.00 C ATOM 783 C ILE A 54 -2.368 -4.786 -6.760 1.00 0.00 C ATOM 784 O ILE A 54 -1.551 -3.928 -7.091 1.00 0.00 O ATOM 785 CB ILE A 54 -1.263 -6.299 -5.111 1.00 0.00 C ATOM 786 CG1 ILE A 54 -2.278 -5.968 -4.015 1.00 0.00 C ATOM 787 CG2 ILE A 54 -0.073 -5.354 -5.043 1.00 0.00 C ATOM 788 CD1 ILE A 54 -2.392 -7.039 -2.953 1.00 0.00 C ATOM 0 H ILE A 54 -0.227 -6.101 -7.712 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.804 -6.875 -6.509 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.903 -7.315 -4.952 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.996 -5.027 -3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.256 -5.815 -4.471 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.387 -5.419 -4.057 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.657 -5.632 -5.803 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.409 -4.332 -5.220 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.129 -6.737 -2.209 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.704 -7.976 -3.414 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.425 -7.177 -2.470 1.00 0.00 H new ATOM 800 N TRP A 55 -3.663 -4.532 -6.608 1.00 0.00 N ATOM 801 CA TRP A 55 -4.210 -3.198 -6.827 1.00 0.00 C ATOM 802 C TRP A 55 -3.803 -2.251 -5.704 1.00 0.00 C ATOM 803 O TRP A 55 -3.638 -2.668 -4.557 1.00 0.00 O ATOM 804 CB TRP A 55 -5.735 -3.261 -6.929 1.00 0.00 C ATOM 805 CG TRP A 55 -6.221 -4.174 -8.014 1.00 0.00 C ATOM 806 CD1 TRP A 55 -6.360 -5.531 -7.942 1.00 0.00 C ATOM 807 CD2 TRP A 55 -6.628 -3.796 -9.334 1.00 0.00 C ATOM 808 NE1 TRP A 55 -6.830 -6.019 -9.137 1.00 0.00 N ATOM 809 CE2 TRP A 55 -7.004 -4.975 -10.007 1.00 0.00 C ATOM 810 CE3 TRP A 55 -6.715 -2.577 -10.011 1.00 0.00 C ATOM 811 CZ2 TRP A 55 -7.456 -4.968 -11.324 1.00 0.00 C ATOM 812 CZ3 TRP A 55 -7.164 -2.572 -11.318 1.00 0.00 C ATOM 813 CH2 TRP A 55 -7.531 -3.760 -11.963 1.00 0.00 C ATOM 0 H TRP A 55 -4.353 -5.232 -6.334 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.805 -2.816 -7.764 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.142 -3.594 -5.974 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.122 -2.258 -7.108 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.134 -6.132 -7.073 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -7.019 -7.000 -9.343 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.436 -1.655 -9.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.737 -5.883 -11.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.233 -1.636 -11.852 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.880 -3.722 -12.984 1.00 0.00 H new ATOM 824 N SER A 56 -3.641 -0.975 -6.040 1.00 0.00 N ATOM 825 CA SER A 56 -3.249 0.030 -5.059 1.00 0.00 C ATOM 826 C SER A 56 -4.177 -0.001 -3.849 1.00 0.00 C ATOM 827 O SER A 56 -3.772 0.329 -2.734 1.00 0.00 O ATOM 828 CB SER A 56 -3.263 1.423 -5.692 1.00 0.00 C ATOM 829 OG SER A 56 -3.651 2.407 -4.749 1.00 0.00 O ATOM 0 H SER A 56 -3.775 -0.613 -6.984 1.00 0.00 H new ATOM 0 HA SER A 56 -2.237 -0.199 -4.724 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.273 1.659 -6.082 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.950 1.435 -6.538 1.00 0.00 H new ATOM 0 HG SER A 56 -3.651 3.289 -5.177 1.00 0.00 H new ATOM 835 N ARG A 57 -5.424 -0.399 -4.077 1.00 0.00 N ATOM 836 CA ARG A 57 -6.411 -0.472 -3.006 1.00 0.00 C ATOM 837 C ARG A 57 -6.146 -1.674 -2.104 1.00 0.00 C ATOM 838 O ARG A 57 -6.264 -1.584 -0.882 1.00 0.00 O ATOM 839 CB ARG A 57 -7.822 -0.560 -3.590 1.00 0.00 C ATOM 840 CG ARG A 57 -8.920 -0.473 -2.543 1.00 0.00 C ATOM 841 CD ARG A 57 -10.081 0.385 -3.022 1.00 0.00 C ATOM 842 NE ARG A 57 -10.913 0.849 -1.915 1.00 0.00 N ATOM 843 CZ ARG A 57 -11.733 0.059 -1.231 1.00 0.00 C ATOM 844 NH1 ARG A 57 -11.830 -1.227 -1.538 1.00 0.00 N ATOM 845 NH2 ARG A 57 -12.457 0.555 -0.236 1.00 0.00 N ATOM 0 H ARG A 57 -5.775 -0.676 -4.994 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.329 0.435 -2.407 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.957 0.243 -4.314 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.923 -1.499 -4.134 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.280 -1.475 -2.307 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.513 -0.055 -1.622 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.695 1.244 -3.570 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.692 -0.189 -3.719 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.862 1.833 -1.653 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.274 -1.612 -2.301 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.461 -1.831 -1.011 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.384 1.544 0.004 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.086 -0.052 0.289 1.00 0.00 H new ATOM 859 N ASP A 58 -5.790 -2.799 -2.716 1.00 0.00 N ATOM 860 CA ASP A 58 -5.508 -4.019 -1.968 1.00 0.00 C ATOM 861 C ASP A 58 -4.229 -3.873 -1.151 1.00 0.00 C ATOM 862 O ASP A 58 -4.232 -4.061 0.066 1.00 0.00 O ATOM 863 CB ASP A 58 -5.386 -5.209 -2.921 1.00 0.00 C ATOM 864 CG ASP A 58 -6.726 -5.849 -3.224 1.00 0.00 C ATOM 865 OD1 ASP A 58 -7.752 -5.338 -2.729 1.00 0.00 O ATOM 866 OD2 ASP A 58 -6.749 -6.862 -3.954 1.00 0.00 O ATOM 0 H ASP A 58 -5.690 -2.891 -3.727 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.337 -4.195 -1.282 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.926 -4.879 -3.852 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.722 -5.954 -2.484 1.00 0.00 H new ATOM 871 N VAL A 59 -3.135 -3.536 -1.827 1.00 0.00 N ATOM 872 CA VAL A 59 -1.848 -3.364 -1.164 1.00 0.00 C ATOM 873 C VAL A 59 -1.943 -2.341 -0.037 1.00 0.00 C ATOM 874 O VAL A 59 -1.161 -2.374 0.912 1.00 0.00 O ATOM 875 CB VAL A 59 -0.760 -2.918 -2.158 1.00 0.00 C ATOM 876 CG1 VAL A 59 -1.163 -1.622 -2.846 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.577 -2.760 -1.448 1.00 0.00 C ATOM 0 H VAL A 59 -3.115 -3.377 -2.834 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.574 -4.334 -0.748 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.652 -3.688 -2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.382 -1.323 -3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.096 -1.773 -3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.300 -0.841 -2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.335 -2.444 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.486 -2.010 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.870 -3.713 -1.007 1.00 0.00 H new ATOM 887 N ARG A 60 -2.907 -1.433 -0.150 1.00 0.00 N ATOM 888 CA ARG A 60 -3.104 -0.399 0.859 1.00 0.00 C ATOM 889 C ARG A 60 -3.755 -0.978 2.111 1.00 0.00 C ATOM 890 O ARG A 60 -3.371 -0.646 3.233 1.00 0.00 O ATOM 891 CB ARG A 60 -3.968 0.733 0.299 1.00 0.00 C ATOM 892 CG ARG A 60 -4.173 1.882 1.272 1.00 0.00 C ATOM 893 CD ARG A 60 -5.605 2.391 1.238 1.00 0.00 C ATOM 894 NE ARG A 60 -6.443 1.736 2.239 1.00 0.00 N ATOM 895 CZ ARG A 60 -7.691 2.104 2.508 1.00 0.00 C ATOM 896 NH1 ARG A 60 -8.243 3.116 1.853 1.00 0.00 N ATOM 897 NH2 ARG A 60 -8.390 1.458 3.433 1.00 0.00 N ATOM 0 H ARG A 60 -3.563 -1.392 -0.930 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.126 -0.001 1.130 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.505 1.116 -0.610 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.940 0.330 0.016 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.926 1.554 2.282 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.491 2.695 1.025 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.611 3.468 1.409 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.026 2.223 0.247 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.048 0.953 2.760 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.709 3.614 1.141 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.201 3.396 2.061 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -7.969 0.678 3.938 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.348 1.741 3.639 1.00 0.00 H new ATOM 911 N TYR A 61 -4.742 -1.845 1.911 1.00 0.00 N ATOM 912 CA TYR A 61 -5.448 -2.468 3.024 1.00 0.00 C ATOM 913 C TYR A 61 -4.507 -3.344 3.845 1.00 0.00 C ATOM 914 O TYR A 61 -4.449 -3.236 5.070 1.00 0.00 O ATOM 915 CB TYR A 61 -6.620 -3.305 2.507 1.00 0.00 C ATOM 916 CG TYR A 61 -7.906 -3.083 3.270 1.00 0.00 C ATOM 917 CD1 TYR A 61 -8.481 -1.820 3.350 1.00 0.00 C ATOM 918 CD2 TYR A 61 -8.547 -4.136 3.911 1.00 0.00 C ATOM 919 CE1 TYR A 61 -9.655 -1.613 4.047 1.00 0.00 C ATOM 920 CE2 TYR A 61 -9.722 -3.938 4.609 1.00 0.00 C ATOM 921 CZ TYR A 61 -10.272 -2.675 4.675 1.00 0.00 C ATOM 922 OH TYR A 61 -11.443 -2.473 5.369 1.00 0.00 O ATOM 0 H TYR A 61 -5.071 -2.132 0.989 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.831 -1.676 3.667 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.786 -3.071 1.455 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.353 -4.360 2.561 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.001 -0.986 2.859 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.119 -5.126 3.863 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.088 -0.625 4.100 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.208 -4.768 5.101 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.748 -3.323 5.751 1.00 0.00 H new ATOM 932 N LYS A 62 -3.769 -4.212 3.161 1.00 0.00 N ATOM 933 CA LYS A 62 -2.828 -5.106 3.824 1.00 0.00 C ATOM 934 C LYS A 62 -1.688 -4.320 4.464 1.00 0.00 C ATOM 935 O LYS A 62 -1.135 -4.729 5.484 1.00 0.00 O ATOM 936 CB LYS A 62 -2.265 -6.119 2.825 1.00 0.00 C ATOM 937 CG LYS A 62 -3.308 -7.079 2.279 1.00 0.00 C ATOM 938 CD LYS A 62 -2.667 -8.339 1.721 1.00 0.00 C ATOM 939 CE LYS A 62 -3.006 -9.558 2.566 1.00 0.00 C ATOM 940 NZ LYS A 62 -2.575 -10.824 1.911 1.00 0.00 N ATOM 0 H LYS A 62 -3.805 -4.315 2.147 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.364 -5.639 4.610 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.808 -5.582 1.994 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.474 -6.692 3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.008 -7.346 3.070 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.884 -6.585 1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.006 -8.499 0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.585 -8.211 1.682 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.524 -9.470 3.540 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.081 -9.589 2.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.824 -11.631 2.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.054 -10.921 0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.546 -10.806 1.764 1.00 0.00 H new ATOM 954 N SER A 63 -1.343 -3.188 3.858 1.00 0.00 N ATOM 955 CA SER A 63 -0.268 -2.345 4.367 1.00 0.00 C ATOM 956 C SER A 63 -0.752 -1.496 5.539 1.00 0.00 C ATOM 957 O SER A 63 0.037 -1.085 6.389 1.00 0.00 O ATOM 958 CB SER A 63 0.271 -1.442 3.256 1.00 0.00 C ATOM 959 OG SER A 63 1.033 -2.185 2.320 1.00 0.00 O ATOM 0 H SER A 63 -1.793 -2.834 3.014 1.00 0.00 H new ATOM 0 HA SER A 63 0.534 -2.994 4.718 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.559 -0.952 2.747 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.888 -0.655 3.690 1.00 0.00 H new ATOM 0 HG SER A 63 0.477 -2.398 1.541 1.00 0.00 H new ATOM 965 N ASN A 64 -2.055 -1.236 5.575 1.00 0.00 N ATOM 966 CA ASN A 64 -2.645 -0.435 6.641 1.00 0.00 C ATOM 967 C ASN A 64 -2.097 0.988 6.619 1.00 0.00 C ATOM 968 O ASN A 64 -1.942 1.621 7.664 1.00 0.00 O ATOM 969 CB ASN A 64 -2.372 -1.079 8.002 1.00 0.00 C ATOM 970 CG ASN A 64 -3.469 -0.790 9.008 1.00 0.00 C ATOM 971 OD1 ASN A 64 -4.186 0.205 8.894 1.00 0.00 O ATOM 972 ND2 ASN A 64 -3.605 -1.661 10.001 1.00 0.00 N ATOM 0 H ASN A 64 -2.722 -1.568 4.878 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.722 -0.393 6.477 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.272 -2.157 7.877 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.421 -0.713 8.390 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.326 -1.519 10.709 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.989 -2.472 10.056 1.00 0.00 H new ATOM 979 N LEU A 65 -1.805 1.486 5.423 1.00 0.00 N ATOM 980 CA LEU A 65 -1.274 2.835 5.264 1.00 0.00 C ATOM 981 C LEU A 65 -2.223 3.701 4.441 1.00 0.00 C ATOM 982 O LEU A 65 -2.863 3.238 3.497 1.00 0.00 O ATOM 983 CB LEU A 65 0.101 2.788 4.595 1.00 0.00 C ATOM 984 CG LEU A 65 1.044 1.685 5.075 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.239 1.560 4.143 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.503 1.958 6.500 1.00 0.00 C ATOM 0 H LEU A 65 -1.927 0.976 4.548 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.174 3.278 6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.044 2.673 3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.591 3.749 4.749 1.00 0.00 H new ATOM 0 HG LEU A 65 0.501 0.740 5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.899 0.770 4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.893 1.316 3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.783 2.504 4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.174 1.162 6.825 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.028 2.913 6.537 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.637 1.995 7.161 1.00 0.00 H new ATOM 998 N PRO A 66 -2.316 4.988 4.806 1.00 0.00 N ATOM 999 CA PRO A 66 -3.183 5.946 4.113 1.00 0.00 C ATOM 1000 C PRO A 66 -2.677 6.278 2.713 1.00 0.00 C ATOM 1001 O PRO A 66 -1.499 6.089 2.406 1.00 0.00 O ATOM 1002 CB PRO A 66 -3.128 7.186 5.009 1.00 0.00 C ATOM 1003 CG PRO A 66 -1.827 7.078 5.726 1.00 0.00 C ATOM 1004 CD PRO A 66 -1.583 5.608 5.923 1.00 0.00 C ATOM 0 HA PRO A 66 -4.189 5.553 3.966 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.181 8.102 4.421 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.964 7.207 5.708 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.023 7.533 5.147 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.864 7.599 6.683 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.520 5.369 5.888 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.956 5.265 6.888 1.00 0.00 H new ATOM 1012 N LEU A 67 -3.574 6.773 1.867 1.00 0.00 N ATOM 1013 CA LEU A 67 -3.219 7.132 0.499 1.00 0.00 C ATOM 1014 C LEU A 67 -2.003 8.053 0.476 1.00 0.00 C ATOM 1015 O LEU A 67 -1.131 7.928 -0.385 1.00 0.00 O ATOM 1016 CB LEU A 67 -4.401 7.810 -0.195 1.00 0.00 C ATOM 1017 CG LEU A 67 -5.078 8.939 0.583 1.00 0.00 C ATOM 1018 CD1 LEU A 67 -4.869 10.272 -0.119 1.00 0.00 C ATOM 1019 CD2 LEU A 67 -6.562 8.652 0.756 1.00 0.00 C ATOM 0 H LEU A 67 -4.553 6.935 2.105 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.968 6.217 -0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.056 8.209 -1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.150 7.050 -0.419 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.622 8.997 1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.358 11.063 0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.802 10.482 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.297 10.227 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.028 9.466 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.033 8.566 -0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.691 7.718 1.304 1.00 0.00 H new ATOM 1031 N THR A 68 -1.950 8.978 1.429 1.00 0.00 N ATOM 1032 CA THR A 68 -0.842 9.920 1.518 1.00 0.00 C ATOM 1033 C THR A 68 0.493 9.191 1.621 1.00 0.00 C ATOM 1034 O THR A 68 1.521 9.695 1.171 1.00 0.00 O ATOM 1035 CB THR A 68 -0.997 10.856 2.732 1.00 0.00 C ATOM 1036 OG1 THR A 68 0.037 11.847 2.722 1.00 0.00 O ATOM 1037 CG2 THR A 68 -0.938 10.069 4.033 1.00 0.00 C ATOM 0 H THR A 68 -2.662 9.095 2.150 1.00 0.00 H new ATOM 0 HA THR A 68 -0.859 10.515 0.605 1.00 0.00 H new ATOM 0 HB THR A 68 -1.969 11.344 2.664 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.070 12.439 3.496 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.050 10.751 4.876 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.743 9.335 4.051 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.021 9.557 4.105 1.00 0.00 H new ATOM 1045 N GLU A 69 0.468 8.001 2.214 1.00 0.00 N ATOM 1046 CA GLU A 69 1.678 7.203 2.375 1.00 0.00 C ATOM 1047 C GLU A 69 1.919 6.328 1.148 1.00 0.00 C ATOM 1048 O GLU A 69 2.960 6.426 0.498 1.00 0.00 O ATOM 1049 CB GLU A 69 1.577 6.329 3.626 1.00 0.00 C ATOM 1050 CG GLU A 69 1.642 7.116 4.925 1.00 0.00 C ATOM 1051 CD GLU A 69 3.057 7.526 5.287 1.00 0.00 C ATOM 1052 OE1 GLU A 69 3.749 8.101 4.422 1.00 0.00 O ATOM 1053 OE2 GLU A 69 3.470 7.272 6.438 1.00 0.00 O ATOM 0 H GLU A 69 -0.376 7.569 2.590 1.00 0.00 H new ATOM 0 HA GLU A 69 2.521 7.886 2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.641 5.772 3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.384 5.597 3.614 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.020 8.007 4.837 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.224 6.514 5.732 1.00 0.00 H new ATOM 1060 N ILE A 70 0.949 5.473 0.839 1.00 0.00 N ATOM 1061 CA ILE A 70 1.055 4.581 -0.309 1.00 0.00 C ATOM 1062 C ILE A 70 1.408 5.354 -1.575 1.00 0.00 C ATOM 1063 O ILE A 70 2.147 4.865 -2.428 1.00 0.00 O ATOM 1064 CB ILE A 70 -0.255 3.806 -0.542 1.00 0.00 C ATOM 1065 CG1 ILE A 70 -0.619 2.991 0.701 1.00 0.00 C ATOM 1066 CG2 ILE A 70 -0.124 2.899 -1.757 1.00 0.00 C ATOM 1067 CD1 ILE A 70 0.398 1.926 1.044 1.00 0.00 C ATOM 0 H ILE A 70 0.082 5.380 1.367 1.00 0.00 H new ATOM 0 HA ILE A 70 1.852 3.872 -0.085 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.055 4.522 -0.731 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.726 3.666 1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.589 2.519 0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.058 2.358 -1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.094 3.501 -2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.686 2.188 -1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.075 1.388 1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.489 1.228 0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.365 2.393 1.232 1.00 0.00 H new ATOM 1079 N ASN A 71 0.874 6.566 -1.690 1.00 0.00 N ATOM 1080 CA ASN A 71 1.133 7.408 -2.852 1.00 0.00 C ATOM 1081 C ASN A 71 2.628 7.670 -3.012 1.00 0.00 C ATOM 1082 O ASN A 71 3.136 7.772 -4.129 1.00 0.00 O ATOM 1083 CB ASN A 71 0.383 8.735 -2.723 1.00 0.00 C ATOM 1084 CG ASN A 71 -1.071 8.620 -3.139 1.00 0.00 C ATOM 1085 OD1 ASN A 71 -1.515 7.568 -3.601 1.00 0.00 O ATOM 1086 ND2 ASN A 71 -1.821 9.704 -2.978 1.00 0.00 N ATOM 0 H ASN A 71 0.260 6.987 -0.993 1.00 0.00 H new ATOM 0 HA ASN A 71 0.777 6.881 -3.738 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.436 9.081 -1.691 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.875 9.489 -3.337 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.806 9.686 -3.241 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.412 10.555 -2.591 1.00 0.00 H new ATOM 1093 N LYS A 72 3.328 7.777 -1.887 1.00 0.00 N ATOM 1094 CA LYS A 72 4.764 8.025 -1.900 1.00 0.00 C ATOM 1095 C LYS A 72 5.540 6.720 -2.047 1.00 0.00 C ATOM 1096 O LYS A 72 6.556 6.666 -2.740 1.00 0.00 O ATOM 1097 CB LYS A 72 5.190 8.743 -0.618 1.00 0.00 C ATOM 1098 CG LYS A 72 6.694 8.918 -0.490 1.00 0.00 C ATOM 1099 CD LYS A 72 7.066 9.600 0.816 1.00 0.00 C ATOM 1100 CE LYS A 72 7.260 8.589 1.937 1.00 0.00 C ATOM 1101 NZ LYS A 72 8.696 8.425 2.294 1.00 0.00 N ATOM 0 H LYS A 72 2.923 7.696 -0.954 1.00 0.00 H new ATOM 0 HA LYS A 72 4.990 8.660 -2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.714 9.723 -0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.823 8.182 0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.181 7.944 -0.545 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.065 9.507 -1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.982 10.174 0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.285 10.308 1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.702 8.910 2.816 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.849 7.626 1.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.786 7.728 3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.225 8.094 1.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.082 9.338 2.609 1.00 0.00 H new ATOM 1115 N ILE A 73 5.054 5.672 -1.391 1.00 0.00 N ATOM 1116 CA ILE A 73 5.702 4.367 -1.450 1.00 0.00 C ATOM 1117 C ILE A 73 5.657 3.796 -2.864 1.00 0.00 C ATOM 1118 O ILE A 73 6.694 3.492 -3.455 1.00 0.00 O ATOM 1119 CB ILE A 73 5.042 3.366 -0.483 1.00 0.00 C ATOM 1120 CG1 ILE A 73 5.081 3.906 0.948 1.00 0.00 C ATOM 1121 CG2 ILE A 73 5.735 2.015 -0.565 1.00 0.00 C ATOM 1122 CD1 ILE A 73 4.270 3.084 1.926 1.00 0.00 C ATOM 0 H ILE A 73 4.214 5.701 -0.813 1.00 0.00 H new ATOM 0 HA ILE A 73 6.740 4.516 -1.153 1.00 0.00 H new ATOM 0 HB ILE A 73 4.000 3.235 -0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.117 3.941 1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.710 4.931 0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.257 1.319 0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.660 1.629 -1.581 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.785 2.128 -0.296 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.343 3.525 2.920 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.226 3.070 1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.655 2.065 1.952 1.00 0.00 H new ATOM 1134 N LEU A 74 4.450 3.653 -3.400 1.00 0.00 N ATOM 1135 CA LEU A 74 4.269 3.120 -4.746 1.00 0.00 C ATOM 1136 C LEU A 74 5.135 3.873 -5.751 1.00 0.00 C ATOM 1137 O LEU A 74 5.623 3.296 -6.723 1.00 0.00 O ATOM 1138 CB LEU A 74 2.799 3.206 -5.157 1.00 0.00 C ATOM 1139 CG LEU A 74 1.862 2.181 -4.518 1.00 0.00 C ATOM 1140 CD1 LEU A 74 0.433 2.392 -4.995 1.00 0.00 C ATOM 1141 CD2 LEU A 74 2.327 0.766 -4.830 1.00 0.00 C ATOM 0 H LEU A 74 3.582 3.899 -2.923 1.00 0.00 H new ATOM 0 HA LEU A 74 4.577 2.074 -4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.433 4.204 -4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.738 3.098 -6.240 1.00 0.00 H new ATOM 0 HG LEU A 74 1.886 2.320 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.219 1.653 -4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.102 3.393 -4.720 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.391 2.281 -6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.648 0.050 -4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.333 0.615 -5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.333 0.619 -4.437 1.00 0.00 H new ATOM 1153 N LYS A 75 5.324 5.166 -5.509 1.00 0.00 N ATOM 1154 CA LYS A 75 6.134 5.999 -6.390 1.00 0.00 C ATOM 1155 C LYS A 75 7.619 5.821 -6.093 1.00 0.00 C ATOM 1156 O LYS A 75 8.459 5.942 -6.985 1.00 0.00 O ATOM 1157 CB LYS A 75 5.745 7.471 -6.234 1.00 0.00 C ATOM 1158 CG LYS A 75 5.174 8.087 -7.500 1.00 0.00 C ATOM 1159 CD LYS A 75 3.853 8.788 -7.233 1.00 0.00 C ATOM 1160 CE LYS A 75 3.604 9.908 -8.231 1.00 0.00 C ATOM 1161 NZ LYS A 75 3.530 9.399 -9.629 1.00 0.00 N ATOM 0 H LYS A 75 4.927 5.660 -4.710 1.00 0.00 H new ATOM 0 HA LYS A 75 5.947 5.687 -7.417 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.011 7.561 -5.433 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.623 8.040 -5.927 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.888 8.800 -7.913 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.029 7.310 -8.250 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.039 8.065 -7.286 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.853 9.194 -6.221 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.674 10.418 -7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.402 10.646 -8.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.243 10.170 -10.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.463 9.042 -9.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.833 8.629 -9.682 1.00 0.00 H new ATOM 1175 N ASN A 76 7.936 5.531 -4.836 1.00 0.00 N ATOM 1176 CA ASN A 76 9.321 5.336 -4.422 1.00 0.00 C ATOM 1177 C ASN A 76 9.937 4.134 -5.133 1.00 0.00 C ATOM 1178 O ASN A 76 10.914 4.269 -5.870 1.00 0.00 O ATOM 1179 CB ASN A 76 9.400 5.141 -2.907 1.00 0.00 C ATOM 1180 CG ASN A 76 10.444 6.032 -2.263 1.00 0.00 C ATOM 1181 OD1 ASN A 76 11.644 5.859 -2.480 1.00 0.00 O ATOM 1182 ND2 ASN A 76 9.992 6.993 -1.465 1.00 0.00 N ATOM 0 H ASN A 76 7.253 5.426 -4.086 1.00 0.00 H new ATOM 0 HA ASN A 76 9.885 6.227 -4.697 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.426 5.350 -2.465 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.632 4.098 -2.689 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.648 7.624 -1.004 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.989 7.100 -1.313 1.00 0.00 H new ATOM 1189 N LEU A 77 9.358 2.960 -4.908 1.00 0.00 N ATOM 1190 CA LEU A 77 9.848 1.734 -5.527 1.00 0.00 C ATOM 1191 C LEU A 77 9.981 1.902 -7.037 1.00 0.00 C ATOM 1192 O LEU A 77 10.913 1.382 -7.649 1.00 0.00 O ATOM 1193 CB LEU A 77 8.908 0.569 -5.212 1.00 0.00 C ATOM 1194 CG LEU A 77 9.116 -0.116 -3.861 1.00 0.00 C ATOM 1195 CD1 LEU A 77 7.883 -0.915 -3.471 1.00 0.00 C ATOM 1196 CD2 LEU A 77 10.345 -1.013 -3.901 1.00 0.00 C ATOM 0 H LEU A 77 8.548 2.831 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 77 10.834 1.518 -5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.882 0.934 -5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.015 -0.180 -5.997 1.00 0.00 H new ATOM 0 HG LEU A 77 9.277 0.654 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.050 -1.395 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.024 -0.247 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.689 -1.676 -4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.477 -1.492 -2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.214 -1.776 -4.668 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.225 -0.414 -4.133 1.00 0.00 H new ATOM 1208 N GLU A 78 9.042 2.632 -7.631 1.00 0.00 N ATOM 1209 CA GLU A 78 9.055 2.869 -9.070 1.00 0.00 C ATOM 1210 C GLU A 78 10.364 3.524 -9.501 1.00 0.00 C ATOM 1211 O GLU A 78 11.077 3.006 -10.360 1.00 0.00 O ATOM 1212 CB GLU A 78 7.872 3.751 -9.475 1.00 0.00 C ATOM 1213 CG GLU A 78 7.289 3.401 -10.833 1.00 0.00 C ATOM 1214 CD GLU A 78 7.899 4.216 -11.957 1.00 0.00 C ATOM 1215 OE1 GLU A 78 7.981 5.454 -11.815 1.00 0.00 O ATOM 1216 OE2 GLU A 78 8.294 3.617 -12.979 1.00 0.00 O ATOM 0 H GLU A 78 8.263 3.069 -7.138 1.00 0.00 H new ATOM 0 HA GLU A 78 8.968 1.906 -9.572 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.090 3.665 -8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.193 4.793 -9.484 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.448 2.341 -11.030 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.211 3.564 -10.815 1.00 0.00 H new ATOM 1223 N SER A 79 10.673 4.668 -8.898 1.00 0.00 N ATOM 1224 CA SER A 79 11.893 5.398 -9.222 1.00 0.00 C ATOM 1225 C SER A 79 13.122 4.517 -9.022 1.00 0.00 C ATOM 1226 O SER A 79 14.088 4.596 -9.781 1.00 0.00 O ATOM 1227 CB SER A 79 12.006 6.655 -8.357 1.00 0.00 C ATOM 1228 OG SER A 79 12.373 7.779 -9.137 1.00 0.00 O ATOM 0 H SER A 79 10.095 5.109 -8.183 1.00 0.00 H new ATOM 0 HA SER A 79 11.844 5.691 -10.271 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.054 6.847 -7.863 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.746 6.495 -7.573 1.00 0.00 H new ATOM 0 HG SER A 79 12.437 8.570 -8.562 1.00 0.00 H new ATOM 1234 N LYS A 80 13.079 3.676 -7.994 1.00 0.00 N ATOM 1235 CA LYS A 80 14.187 2.778 -7.691 1.00 0.00 C ATOM 1236 C LYS A 80 14.334 1.713 -8.773 1.00 0.00 C ATOM 1237 O LYS A 80 15.343 1.009 -8.833 1.00 0.00 O ATOM 1238 CB LYS A 80 13.973 2.112 -6.330 1.00 0.00 C ATOM 1239 CG LYS A 80 13.567 3.082 -5.235 1.00 0.00 C ATOM 1240 CD LYS A 80 14.427 2.913 -3.993 1.00 0.00 C ATOM 1241 CE LYS A 80 13.582 2.895 -2.729 1.00 0.00 C ATOM 1242 NZ LYS A 80 12.969 1.559 -2.491 1.00 0.00 N ATOM 0 H LYS A 80 12.287 3.598 -7.356 1.00 0.00 H new ATOM 0 HA LYS A 80 15.103 3.368 -7.659 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.205 1.345 -6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.892 1.607 -6.034 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.654 4.104 -5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.520 2.924 -4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.995 1.985 -4.066 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.151 3.726 -3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.201 3.168 -1.874 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.796 3.647 -2.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.401 1.588 -1.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.358 1.309 -3.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.719 0.846 -2.391 1.00 0.00 H new ATOM 1256 N LYS A 81 13.323 1.601 -9.628 1.00 0.00 N ATOM 1257 CA LYS A 81 13.341 0.624 -10.710 1.00 0.00 C ATOM 1258 C LYS A 81 13.366 -0.798 -10.159 1.00 0.00 C ATOM 1259 O LYS A 81 13.977 -1.692 -10.748 1.00 0.00 O ATOM 1260 CB LYS A 81 14.555 0.854 -11.613 1.00 0.00 C ATOM 1261 CG LYS A 81 14.399 0.264 -13.004 1.00 0.00 C ATOM 1262 CD LYS A 81 15.481 0.764 -13.946 1.00 0.00 C ATOM 1263 CE LYS A 81 15.306 2.241 -14.264 1.00 0.00 C ATOM 1264 NZ LYS A 81 15.179 2.483 -15.727 1.00 0.00 N ATOM 0 H LYS A 81 12.481 2.175 -9.592 1.00 0.00 H new ATOM 0 HA LYS A 81 12.431 0.752 -11.296 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.735 1.926 -11.700 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.436 0.420 -11.140 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.440 -0.824 -12.946 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.419 0.525 -13.403 1.00 0.00 H new ATOM 0 HD2 LYS A 81 16.460 0.602 -13.496 1.00 0.00 H new ATOM 0 HD3 LYS A 81 15.455 0.186 -14.870 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.419 2.619 -13.755 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.158 2.799 -13.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 15.061 3.501 -15.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 16.036 2.146 -16.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 14.351 1.971 -16.093 1.00 0.00 H new ATOM 1278 N LEU A 82 12.700 -1.002 -9.029 1.00 0.00 N ATOM 1279 CA LEU A 82 12.645 -2.317 -8.399 1.00 0.00 C ATOM 1280 C LEU A 82 11.335 -3.025 -8.731 1.00 0.00 C ATOM 1281 O LEU A 82 11.265 -4.254 -8.726 1.00 0.00 O ATOM 1282 CB LEU A 82 12.796 -2.184 -6.882 1.00 0.00 C ATOM 1283 CG LEU A 82 14.210 -1.909 -6.370 1.00 0.00 C ATOM 1284 CD1 LEU A 82 14.214 -1.779 -4.855 1.00 0.00 C ATOM 1285 CD2 LEU A 82 15.162 -3.009 -6.816 1.00 0.00 C ATOM 0 H LEU A 82 12.190 -0.274 -8.529 1.00 0.00 H new ATOM 0 HA LEU A 82 13.469 -2.915 -8.789 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.145 -1.379 -6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.436 -3.103 -6.419 1.00 0.00 H new ATOM 0 HG LEU A 82 14.552 -0.966 -6.795 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.229 -1.583 -4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.565 -0.955 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.851 -2.705 -4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 82 16.164 -2.797 -6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.823 -3.966 -6.421 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.183 -3.053 -7.905 1.00 0.00 H new ATOM 1297 N ILE A 83 10.302 -2.241 -9.020 1.00 0.00 N ATOM 1298 CA ILE A 83 8.996 -2.794 -9.358 1.00 0.00 C ATOM 1299 C ILE A 83 8.545 -2.334 -10.740 1.00 0.00 C ATOM 1300 O ILE A 83 9.212 -1.525 -11.385 1.00 0.00 O ATOM 1301 CB ILE A 83 7.929 -2.392 -8.322 1.00 0.00 C ATOM 1302 CG1 ILE A 83 7.786 -0.870 -8.270 1.00 0.00 C ATOM 1303 CG2 ILE A 83 8.289 -2.943 -6.950 1.00 0.00 C ATOM 1304 CD1 ILE A 83 6.705 -0.397 -7.323 1.00 0.00 C ATOM 0 H ILE A 83 10.344 -1.222 -9.027 1.00 0.00 H new ATOM 0 HA ILE A 83 9.103 -3.879 -9.356 1.00 0.00 H new ATOM 0 HB ILE A 83 6.972 -2.818 -8.623 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.738 -0.434 -7.969 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.568 -0.499 -9.272 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.526 -2.651 -6.229 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.345 -4.030 -6.998 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.254 -2.543 -6.639 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.660 0.692 -7.337 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.744 -0.804 -7.636 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.932 -0.738 -6.313 1.00 0.00 H new ATOM 1316 N LYS A 84 7.407 -2.854 -11.188 1.00 0.00 N ATOM 1317 CA LYS A 84 6.863 -2.495 -12.492 1.00 0.00 C ATOM 1318 C LYS A 84 5.359 -2.256 -12.408 1.00 0.00 C ATOM 1319 O LYS A 84 4.601 -3.143 -12.016 1.00 0.00 O ATOM 1320 CB LYS A 84 7.159 -3.597 -13.512 1.00 0.00 C ATOM 1321 CG LYS A 84 6.577 -4.948 -13.133 1.00 0.00 C ATOM 1322 CD LYS A 84 7.389 -6.090 -13.722 1.00 0.00 C ATOM 1323 CE LYS A 84 6.686 -6.715 -14.917 1.00 0.00 C ATOM 1324 NZ LYS A 84 7.561 -7.687 -15.629 1.00 0.00 N ATOM 0 H LYS A 84 6.844 -3.526 -10.667 1.00 0.00 H new ATOM 0 HA LYS A 84 7.342 -1.571 -12.815 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.762 -3.299 -14.482 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.239 -3.695 -13.626 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.550 -5.042 -12.047 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.547 -5.013 -13.485 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.369 -5.722 -14.026 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.557 -6.850 -12.959 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.780 -7.220 -14.582 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.377 -5.931 -15.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.046 -8.091 -16.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.414 -7.200 -15.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.835 -8.450 -14.977 1.00 0.00 H new ATOM 1338 N ALA A 85 4.933 -1.053 -12.780 1.00 0.00 N ATOM 1339 CA ALA A 85 3.520 -0.700 -12.749 1.00 0.00 C ATOM 1340 C ALA A 85 2.791 -1.246 -13.972 1.00 0.00 C ATOM 1341 O ALA A 85 3.328 -1.246 -15.079 1.00 0.00 O ATOM 1342 CB ALA A 85 3.355 0.810 -12.665 1.00 0.00 C ATOM 0 H ALA A 85 5.547 -0.307 -13.106 1.00 0.00 H new ATOM 0 HA ALA A 85 3.077 -1.153 -11.862 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.294 1.059 -12.643 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.834 1.178 -11.758 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.819 1.276 -13.535 1.00 0.00 H new ATOM 1348 N VAL A 86 1.563 -1.712 -13.764 1.00 0.00 N ATOM 1349 CA VAL A 86 0.760 -2.261 -14.850 1.00 0.00 C ATOM 1350 C VAL A 86 -0.637 -1.650 -14.864 1.00 0.00 C ATOM 1351 O VAL A 86 -1.412 -1.824 -13.924 1.00 0.00 O ATOM 1352 CB VAL A 86 0.637 -3.793 -14.739 1.00 0.00 C ATOM 1353 CG1 VAL A 86 1.934 -4.465 -15.163 1.00 0.00 C ATOM 1354 CG2 VAL A 86 0.258 -4.195 -13.322 1.00 0.00 C ATOM 0 H VAL A 86 1.103 -1.720 -12.854 1.00 0.00 H new ATOM 0 HA VAL A 86 1.272 -2.011 -15.779 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.154 -4.126 -15.411 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.828 -5.547 -15.078 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.159 -4.203 -16.197 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.746 -4.128 -14.518 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.175 -5.280 -13.261 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.025 -3.850 -12.629 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.698 -3.743 -13.059 1.00 0.00 H new ATOM 1364 N LYS A 87 -0.952 -0.933 -15.938 1.00 0.00 N ATOM 1365 CA LYS A 87 -2.256 -0.296 -16.077 1.00 0.00 C ATOM 1366 C LYS A 87 -3.247 -1.230 -16.764 1.00 0.00 C ATOM 1367 O LYS A 87 -2.942 -1.818 -17.802 1.00 0.00 O ATOM 1368 CB LYS A 87 -2.129 1.005 -16.872 1.00 0.00 C ATOM 1369 CG LYS A 87 -1.628 0.804 -18.292 1.00 0.00 C ATOM 1370 CD LYS A 87 -2.765 0.865 -19.298 1.00 0.00 C ATOM 1371 CE LYS A 87 -2.249 0.789 -20.727 1.00 0.00 C ATOM 1372 NZ LYS A 87 -2.449 -0.564 -21.317 1.00 0.00 N ATOM 0 H LYS A 87 -0.322 -0.779 -16.725 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.630 -0.069 -15.079 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.101 1.497 -16.905 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.449 1.677 -16.348 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.889 1.569 -18.530 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.125 -0.160 -18.368 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.458 0.043 -19.116 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.325 1.790 -19.161 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.762 1.531 -21.338 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.188 1.040 -20.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.085 -0.575 -22.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.939 -1.270 -20.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.463 -0.793 -21.324 1.00 0.00 H new