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 Set 1.1: A 76 ASN : amide:sc= 0.025 K(o=0.52,f=-5.3!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -106:sc= 0.494 (180deg=0) 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= -0.435 X(o=-0.44,f=-0.43) USER MOD Single : A 51 ASN : amide:sc= 0.168 K(o=0.17,f=-1.1!) 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 140:sc= -1.01 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.07 K(o=-1.1,f=-3.3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 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 -5.552 0.881 -9.914 1.00 0.00 N ATOM 230 CA LEU A 19 -4.474 0.445 -10.795 1.00 0.00 C ATOM 231 C LEU A 19 -3.801 -0.811 -10.251 1.00 0.00 C ATOM 232 O LEU A 19 -3.838 -1.077 -9.049 1.00 0.00 O ATOM 233 CB LEU A 19 -3.441 1.561 -10.960 1.00 0.00 C ATOM 234 CG LEU A 19 -3.550 2.393 -12.238 1.00 0.00 C ATOM 235 CD1 LEU A 19 -3.487 3.878 -11.915 1.00 0.00 C ATOM 236 CD2 LEU A 19 -2.450 2.011 -13.218 1.00 0.00 C ATOM 0 HA LEU A 19 -4.905 0.211 -11.768 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.522 2.233 -10.105 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.446 1.116 -10.923 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.513 2.184 -12.704 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.566 4.454 -12.837 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.310 4.141 -11.251 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.540 4.104 -11.426 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.543 2.613 -14.122 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.477 2.191 -12.761 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.541 0.955 -13.474 1.00 0.00 H new ATOM 248 N LEU A 20 -3.185 -1.579 -11.143 1.00 0.00 N ATOM 249 CA LEU A 20 -2.500 -2.807 -10.752 1.00 0.00 C ATOM 250 C LEU A 20 -1.001 -2.569 -10.600 1.00 0.00 C ATOM 251 O LEU A 20 -0.431 -1.698 -11.256 1.00 0.00 O ATOM 252 CB LEU A 20 -2.752 -3.905 -11.786 1.00 0.00 C ATOM 253 CG LEU A 20 -2.407 -5.329 -11.350 1.00 0.00 C ATOM 254 CD1 LEU A 20 -3.171 -5.701 -10.089 1.00 0.00 C ATOM 255 CD2 LEU A 20 -2.706 -6.317 -12.468 1.00 0.00 C ATOM 0 H LEU A 20 -3.146 -1.374 -12.141 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.898 -3.126 -9.789 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.805 -3.877 -12.067 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.177 -3.671 -12.682 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.340 -5.372 -11.130 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.913 -6.718 -9.794 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.907 -5.012 -9.287 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.242 -5.640 -10.281 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.454 -7.325 -12.139 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.765 -6.271 -12.720 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.113 -6.063 -13.346 1.00 0.00 H new ATOM 267 N TYR A 21 -0.369 -3.351 -9.732 1.00 0.00 N ATOM 268 CA TYR A 21 1.064 -3.226 -9.493 1.00 0.00 C ATOM 269 C TYR A 21 1.731 -4.597 -9.451 1.00 0.00 C ATOM 270 O TYR A 21 1.080 -5.609 -9.187 1.00 0.00 O ATOM 271 CB TYR A 21 1.320 -2.481 -8.182 1.00 0.00 C ATOM 272 CG TYR A 21 1.444 -0.984 -8.350 1.00 0.00 C ATOM 273 CD1 TYR A 21 0.326 -0.162 -8.271 1.00 0.00 C ATOM 274 CD2 TYR A 21 2.677 -0.391 -8.588 1.00 0.00 C ATOM 275 CE1 TYR A 21 0.433 1.207 -8.425 1.00 0.00 C ATOM 276 CE2 TYR A 21 2.794 0.977 -8.742 1.00 0.00 C ATOM 277 CZ TYR A 21 1.669 1.772 -8.659 1.00 0.00 C ATOM 278 OH TYR A 21 1.781 3.134 -8.813 1.00 0.00 O ATOM 0 H TYR A 21 -0.826 -4.078 -9.182 1.00 0.00 H new ATOM 0 HA TYR A 21 1.496 -2.658 -10.317 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.507 -2.694 -7.488 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.234 -2.864 -7.729 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.643 -0.601 -8.086 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.560 -1.010 -8.654 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.446 1.831 -8.362 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.761 1.422 -8.926 1.00 0.00 H new ATOM 0 HH TYR A 21 2.719 3.369 -8.970 1.00 0.00 H new ATOM 288 N ARG A 22 3.034 -4.623 -9.712 1.00 0.00 N ATOM 289 CA ARG A 22 3.790 -5.869 -9.706 1.00 0.00 C ATOM 290 C ARG A 22 5.274 -5.603 -9.470 1.00 0.00 C ATOM 291 O ARG A 22 5.782 -4.529 -9.797 1.00 0.00 O ATOM 292 CB ARG A 22 3.598 -6.614 -11.028 1.00 0.00 C ATOM 293 CG ARG A 22 2.431 -7.587 -11.014 1.00 0.00 C ATOM 294 CD ARG A 22 2.562 -8.630 -12.113 1.00 0.00 C ATOM 295 NE ARG A 22 2.276 -8.074 -13.433 1.00 0.00 N ATOM 296 CZ ARG A 22 1.048 -7.890 -13.902 1.00 0.00 C ATOM 297 NH1 ARG A 22 -0.004 -8.215 -13.163 1.00 0.00 N ATOM 298 NH2 ARG A 22 0.869 -7.379 -15.113 1.00 0.00 N ATOM 0 H ARG A 22 3.588 -3.795 -9.930 1.00 0.00 H new ATOM 0 HA ARG A 22 3.415 -6.488 -8.891 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.445 -5.887 -11.826 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.512 -7.159 -11.264 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.381 -8.083 -10.045 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.497 -7.039 -11.140 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.571 -9.041 -12.104 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.880 -9.456 -11.912 1.00 0.00 H new ATOM 0 HE ARG A 22 3.063 -7.813 -14.027 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.129 -8.608 -12.231 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.946 -8.072 -13.526 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.675 -7.127 -15.685 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.075 -7.238 -15.473 1.00 0.00 H new ATOM 312 N ILE A 23 5.963 -6.586 -8.901 1.00 0.00 N ATOM 313 CA ILE A 23 7.389 -6.457 -8.623 1.00 0.00 C ATOM 314 C ILE A 23 8.222 -6.797 -9.854 1.00 0.00 C ATOM 315 O ILE A 23 7.769 -7.516 -10.745 1.00 0.00 O ATOM 316 CB ILE A 23 7.819 -7.369 -7.458 1.00 0.00 C ATOM 317 CG1 ILE A 23 7.569 -8.836 -7.811 1.00 0.00 C ATOM 318 CG2 ILE A 23 7.075 -6.990 -6.186 1.00 0.00 C ATOM 319 CD1 ILE A 23 8.169 -9.807 -6.819 1.00 0.00 C ATOM 0 H ILE A 23 5.558 -7.480 -8.623 1.00 0.00 H new ATOM 0 HA ILE A 23 7.564 -5.418 -8.345 1.00 0.00 H new ATOM 0 HB ILE A 23 8.887 -7.234 -7.285 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.494 -9.009 -7.872 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.981 -9.039 -8.800 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.390 -7.643 -5.372 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.299 -5.955 -5.928 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.002 -7.100 -6.345 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.952 -10.828 -7.133 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.248 -9.662 -6.775 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.739 -9.632 -5.833 1.00 0.00 H new ATOM 331 N LYS A 24 9.444 -6.276 -9.896 1.00 0.00 N ATOM 332 CA LYS A 24 10.344 -6.526 -11.016 1.00 0.00 C ATOM 333 C LYS A 24 11.434 -7.518 -10.627 1.00 0.00 C ATOM 334 O LYS A 24 12.212 -7.270 -9.705 1.00 0.00 O ATOM 335 CB LYS A 24 10.977 -5.216 -11.490 1.00 0.00 C ATOM 336 CG LYS A 24 10.872 -4.997 -12.989 1.00 0.00 C ATOM 337 CD LYS A 24 12.239 -5.021 -13.653 1.00 0.00 C ATOM 338 CE LYS A 24 12.128 -4.862 -15.162 1.00 0.00 C ATOM 339 NZ LYS A 24 13.465 -4.859 -15.818 1.00 0.00 N ATOM 0 H LYS A 24 9.834 -5.678 -9.167 1.00 0.00 H new ATOM 0 HA LYS A 24 9.760 -6.956 -11.830 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.497 -4.383 -10.975 1.00 0.00 H new ATOM 0 HB3 LYS A 24 12.028 -5.205 -11.203 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.240 -5.769 -13.427 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.388 -4.040 -13.185 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.857 -4.220 -13.246 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.741 -5.960 -13.421 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.525 -5.673 -15.570 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.608 -3.932 -15.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.347 -4.749 -16.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.032 -4.069 -15.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.951 -5.757 -15.620 1.00 0.00 H new ATOM 583 N LEU A 41 7.445 -3.268 3.691 1.00 0.00 N ATOM 584 CA LEU A 41 6.100 -3.704 4.045 1.00 0.00 C ATOM 585 C LEU A 41 5.187 -3.702 2.823 1.00 0.00 C ATOM 586 O LEU A 41 4.256 -4.503 2.729 1.00 0.00 O ATOM 587 CB LEU A 41 5.518 -2.798 5.132 1.00 0.00 C ATOM 588 CG LEU A 41 4.058 -3.054 5.508 1.00 0.00 C ATOM 589 CD1 LEU A 41 3.912 -4.404 6.193 1.00 0.00 C ATOM 590 CD2 LEU A 41 3.535 -1.940 6.404 1.00 0.00 C ATOM 0 HA LEU A 41 6.164 -4.723 4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.127 -2.903 6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.612 -1.763 4.803 1.00 0.00 H new ATOM 0 HG LEU A 41 3.464 -3.067 4.594 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.866 -4.569 6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.247 -5.192 5.519 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.518 -4.420 7.099 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.495 -2.139 6.662 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.132 -1.895 7.315 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.603 -0.988 5.878 1.00 0.00 H new ATOM 602 N VAL A 42 5.461 -2.799 1.888 1.00 0.00 N ATOM 603 CA VAL A 42 4.667 -2.695 0.670 1.00 0.00 C ATOM 604 C VAL A 42 5.203 -3.619 -0.417 1.00 0.00 C ATOM 605 O VAL A 42 4.438 -4.299 -1.102 1.00 0.00 O ATOM 606 CB VAL A 42 4.646 -1.250 0.135 1.00 0.00 C ATOM 607 CG1 VAL A 42 3.778 -1.154 -1.111 1.00 0.00 C ATOM 608 CG2 VAL A 42 4.157 -0.292 1.210 1.00 0.00 C ATOM 0 H VAL A 42 6.227 -2.129 1.951 1.00 0.00 H new ATOM 0 HA VAL A 42 3.651 -2.994 0.929 1.00 0.00 H new ATOM 0 HB VAL A 42 5.663 -0.967 -0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.775 -0.126 -1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.177 -1.811 -1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.759 -1.456 -0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.148 0.724 0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.149 -0.571 1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.823 -0.341 2.071 1.00 0.00 H new ATOM 618 N TYR A 43 6.523 -3.641 -0.569 1.00 0.00 N ATOM 619 CA TYR A 43 7.163 -4.482 -1.574 1.00 0.00 C ATOM 620 C TYR A 43 6.815 -5.952 -1.356 1.00 0.00 C ATOM 621 O TYR A 43 6.642 -6.707 -2.312 1.00 0.00 O ATOM 622 CB TYR A 43 8.680 -4.294 -1.535 1.00 0.00 C ATOM 623 CG TYR A 43 9.413 -5.059 -2.614 1.00 0.00 C ATOM 624 CD1 TYR A 43 9.811 -6.375 -2.411 1.00 0.00 C ATOM 625 CD2 TYR A 43 9.709 -4.466 -3.835 1.00 0.00 C ATOM 626 CE1 TYR A 43 10.481 -7.078 -3.393 1.00 0.00 C ATOM 627 CE2 TYR A 43 10.377 -5.162 -4.823 1.00 0.00 C ATOM 628 CZ TYR A 43 10.761 -6.467 -4.598 1.00 0.00 C ATOM 629 OH TYR A 43 11.429 -7.163 -5.580 1.00 0.00 O ATOM 0 H TYR A 43 7.170 -3.086 -0.009 1.00 0.00 H new ATOM 0 HA TYR A 43 6.791 -4.181 -2.554 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.909 -3.233 -1.634 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.052 -4.610 -0.561 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.593 -6.856 -1.469 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.412 -3.443 -4.014 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.784 -8.100 -3.219 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.598 -4.687 -5.767 1.00 0.00 H new ATOM 0 HH TYR A 43 11.546 -6.589 -6.366 1.00 0.00 H new ATOM 639 N GLN A 44 6.715 -6.348 -0.092 1.00 0.00 N ATOM 640 CA GLN A 44 6.388 -7.727 0.253 1.00 0.00 C ATOM 641 C GLN A 44 4.997 -8.099 -0.252 1.00 0.00 C ATOM 642 O GLN A 44 4.797 -9.179 -0.808 1.00 0.00 O ATOM 643 CB GLN A 44 6.465 -7.929 1.767 1.00 0.00 C ATOM 644 CG GLN A 44 7.887 -8.011 2.298 1.00 0.00 C ATOM 645 CD GLN A 44 8.714 -9.067 1.591 1.00 0.00 C ATOM 646 OE1 GLN A 44 9.793 -8.782 1.072 1.00 0.00 O ATOM 647 NE2 GLN A 44 8.211 -10.296 1.569 1.00 0.00 N ATOM 0 H GLN A 44 6.856 -5.734 0.710 1.00 0.00 H new ATOM 0 HA GLN A 44 7.116 -8.378 -0.230 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.948 -7.107 2.262 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.934 -8.844 2.031 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.370 -7.040 2.184 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.860 -8.230 3.365 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.313 -10.487 2.012 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.723 -11.049 1.109 1.00 0.00 H new ATOM 656 N ILE A 45 4.041 -7.198 -0.053 1.00 0.00 N ATOM 657 CA ILE A 45 2.670 -7.432 -0.489 1.00 0.00 C ATOM 658 C ILE A 45 2.589 -7.560 -2.006 1.00 0.00 C ATOM 659 O ILE A 45 1.964 -8.483 -2.529 1.00 0.00 O ATOM 660 CB ILE A 45 1.732 -6.300 -0.029 1.00 0.00 C ATOM 661 CG1 ILE A 45 1.777 -6.157 1.494 1.00 0.00 C ATOM 662 CG2 ILE A 45 0.310 -6.565 -0.500 1.00 0.00 C ATOM 663 CD1 ILE A 45 1.127 -4.889 2.001 1.00 0.00 C ATOM 0 H ILE A 45 4.190 -6.300 0.407 1.00 0.00 H new ATOM 0 HA ILE A 45 2.349 -8.368 -0.031 1.00 0.00 H new ATOM 0 HB ILE A 45 2.072 -5.364 -0.473 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.281 -7.016 1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.816 -6.179 1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.340 -5.756 -0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.292 -6.621 -1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.042 -7.509 -0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.196 -4.854 3.088 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.637 -4.024 1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.079 -4.873 1.703 1.00 0.00 H new ATOM 675 N ILE A 46 3.226 -6.628 -2.707 1.00 0.00 N ATOM 676 CA ILE A 46 3.229 -6.638 -4.165 1.00 0.00 C ATOM 677 C ILE A 46 3.961 -7.862 -4.705 1.00 0.00 C ATOM 678 O ILE A 46 3.627 -8.376 -5.772 1.00 0.00 O ATOM 679 CB ILE A 46 3.886 -5.368 -4.735 1.00 0.00 C ATOM 680 CG1 ILE A 46 3.212 -4.118 -4.165 1.00 0.00 C ATOM 681 CG2 ILE A 46 3.812 -5.370 -6.255 1.00 0.00 C ATOM 682 CD1 ILE A 46 3.930 -2.833 -4.511 1.00 0.00 C ATOM 0 H ILE A 46 3.746 -5.857 -2.289 1.00 0.00 H new ATOM 0 HA ILE A 46 2.187 -6.672 -4.482 1.00 0.00 H new ATOM 0 HB ILE A 46 4.936 -5.357 -4.442 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.189 -4.065 -4.538 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.152 -4.210 -3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.281 -4.466 -6.643 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.334 -6.245 -6.644 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.768 -5.401 -6.568 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.396 -1.989 -4.074 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.945 -2.865 -4.114 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.967 -2.717 -5.594 1.00 0.00 H new ATOM 694 N GLU A 47 4.959 -8.325 -3.959 1.00 0.00 N ATOM 695 CA GLU A 47 5.738 -9.490 -4.363 1.00 0.00 C ATOM 696 C GLU A 47 4.895 -10.760 -4.287 1.00 0.00 C ATOM 697 O GLU A 47 4.962 -11.615 -5.170 1.00 0.00 O ATOM 698 CB GLU A 47 6.978 -9.634 -3.478 1.00 0.00 C ATOM 699 CG GLU A 47 7.754 -10.917 -3.723 1.00 0.00 C ATOM 700 CD GLU A 47 7.523 -11.954 -2.642 1.00 0.00 C ATOM 701 OE1 GLU A 47 7.978 -11.733 -1.500 1.00 0.00 O ATOM 702 OE2 GLU A 47 6.887 -12.987 -2.938 1.00 0.00 O ATOM 0 H GLU A 47 5.247 -7.912 -3.072 1.00 0.00 H new ATOM 0 HA GLU A 47 6.053 -9.344 -5.396 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.637 -8.783 -3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.674 -9.597 -2.432 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.465 -11.333 -4.688 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.818 -10.688 -3.780 1.00 0.00 H new ATOM 709 N ASP A 48 4.104 -10.875 -3.227 1.00 0.00 N ATOM 710 CA ASP A 48 3.248 -12.040 -3.035 1.00 0.00 C ATOM 711 C ASP A 48 2.263 -12.187 -4.191 1.00 0.00 C ATOM 712 O ASP A 48 1.871 -13.298 -4.547 1.00 0.00 O ATOM 713 CB ASP A 48 2.488 -11.929 -1.712 1.00 0.00 C ATOM 714 CG ASP A 48 2.037 -13.278 -1.188 1.00 0.00 C ATOM 715 OD1 ASP A 48 1.102 -13.860 -1.777 1.00 0.00 O ATOM 716 OD2 ASP A 48 2.618 -13.751 -0.189 1.00 0.00 O ATOM 0 H ASP A 48 4.037 -10.176 -2.487 1.00 0.00 H new ATOM 0 HA ASP A 48 3.883 -12.926 -3.007 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.125 -11.449 -0.970 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.618 -11.286 -1.849 1.00 0.00 H new ATOM 721 N ALA A 49 1.867 -11.059 -4.771 1.00 0.00 N ATOM 722 CA ALA A 49 0.929 -11.062 -5.886 1.00 0.00 C ATOM 723 C ALA A 49 1.528 -11.756 -7.105 1.00 0.00 C ATOM 724 O ALA A 49 0.811 -12.357 -7.904 1.00 0.00 O ATOM 725 CB ALA A 49 0.519 -9.639 -6.235 1.00 0.00 C ATOM 0 H ALA A 49 2.181 -10.131 -4.487 1.00 0.00 H new ATOM 0 HA ALA A 49 0.043 -11.619 -5.582 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.182 -9.657 -7.070 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.043 -9.175 -5.371 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.402 -9.064 -6.515 1.00 0.00 H new ATOM 731 N GLY A 50 2.848 -11.668 -7.242 1.00 0.00 N ATOM 732 CA GLY A 50 3.520 -12.291 -8.367 1.00 0.00 C ATOM 733 C GLY A 50 3.005 -11.789 -9.701 1.00 0.00 C ATOM 734 O GLY A 50 2.992 -10.586 -9.956 1.00 0.00 O ATOM 0 H GLY A 50 3.463 -11.176 -6.594 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.591 -12.098 -8.299 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.387 -13.371 -8.313 1.00 0.00 H new ATOM 738 N ASN A 51 2.581 -12.715 -10.555 1.00 0.00 N ATOM 739 CA ASN A 51 2.064 -12.359 -11.872 1.00 0.00 C ATOM 740 C ASN A 51 0.649 -11.798 -11.768 1.00 0.00 C ATOM 741 O ASN A 51 0.213 -11.020 -12.617 1.00 0.00 O ATOM 742 CB ASN A 51 2.073 -13.581 -12.793 1.00 0.00 C ATOM 743 CG ASN A 51 1.391 -14.782 -12.167 1.00 0.00 C ATOM 744 OD1 ASN A 51 1.988 -15.501 -11.366 1.00 0.00 O ATOM 745 ND2 ASN A 51 0.133 -15.005 -12.531 1.00 0.00 N ATOM 0 H ASN A 51 2.585 -13.716 -10.359 1.00 0.00 H new ATOM 0 HA ASN A 51 2.711 -11.589 -12.293 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.574 -13.331 -13.729 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.103 -13.839 -13.040 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.377 -15.799 -12.143 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.323 -14.383 -13.198 1.00 0.00 H new ATOM 752 N LYS A 52 -0.064 -12.197 -10.720 1.00 0.00 N ATOM 753 CA LYS A 52 -1.429 -11.733 -10.502 1.00 0.00 C ATOM 754 C LYS A 52 -1.454 -10.237 -10.201 1.00 0.00 C ATOM 755 O LYS A 52 -2.445 -9.558 -10.464 1.00 0.00 O ATOM 756 CB LYS A 52 -2.075 -12.506 -9.350 1.00 0.00 C ATOM 757 CG LYS A 52 -1.886 -14.010 -9.446 1.00 0.00 C ATOM 758 CD LYS A 52 -2.970 -14.758 -8.689 1.00 0.00 C ATOM 759 CE LYS A 52 -3.750 -15.689 -9.606 1.00 0.00 C ATOM 760 NZ LYS A 52 -5.046 -16.105 -9.002 1.00 0.00 N ATOM 0 H LYS A 52 0.281 -12.841 -10.008 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.997 -11.912 -11.415 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.655 -12.155 -8.407 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.142 -12.283 -9.327 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.897 -14.313 -10.493 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.909 -14.281 -9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.519 -15.335 -7.881 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.652 -14.044 -8.228 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.936 -15.190 -10.557 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.150 -16.573 -9.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.547 -16.738 -9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.868 -16.604 -8.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.630 -15.264 -8.819 1.00 0.00 H new ATOM 774 N GLY A 53 -0.356 -9.731 -9.649 1.00 0.00 N ATOM 775 CA GLY A 53 -0.272 -8.319 -9.323 1.00 0.00 C ATOM 776 C GLY A 53 -1.269 -7.911 -8.255 1.00 0.00 C ATOM 777 O GLY A 53 -2.286 -8.576 -8.060 1.00 0.00 O ATOM 0 H GLY A 53 0.477 -10.273 -9.422 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.737 -8.087 -8.982 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.447 -7.730 -10.223 1.00 0.00 H new ATOM 781 N ILE A 54 -0.975 -6.816 -7.562 1.00 0.00 N ATOM 782 CA ILE A 54 -1.853 -6.322 -6.509 1.00 0.00 C ATOM 783 C ILE A 54 -2.351 -4.915 -6.823 1.00 0.00 C ATOM 784 O ILE A 54 -1.576 -4.048 -7.229 1.00 0.00 O ATOM 785 CB ILE A 54 -1.142 -6.309 -5.143 1.00 0.00 C ATOM 786 CG1 ILE A 54 -2.136 -5.975 -4.029 1.00 0.00 C ATOM 787 CG2 ILE A 54 0.007 -5.311 -5.153 1.00 0.00 C ATOM 788 CD1 ILE A 54 -2.068 -6.925 -2.854 1.00 0.00 C ATOM 0 H ILE A 54 -0.136 -6.255 -7.711 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.702 -7.004 -6.461 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.733 -7.302 -4.953 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.948 -4.961 -3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.146 -5.988 -4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.500 -5.313 -4.181 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.725 -5.590 -5.924 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.379 -4.313 -5.361 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.800 -6.628 -2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.286 -7.938 -3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.069 -6.895 -2.419 1.00 0.00 H new ATOM 800 N TRP A 55 -3.646 -4.696 -6.632 1.00 0.00 N ATOM 801 CA TRP A 55 -4.247 -3.393 -6.894 1.00 0.00 C ATOM 802 C TRP A 55 -3.897 -2.400 -5.791 1.00 0.00 C ATOM 803 O TRP A 55 -3.702 -2.783 -4.637 1.00 0.00 O ATOM 804 CB TRP A 55 -5.767 -3.524 -7.014 1.00 0.00 C ATOM 805 CG TRP A 55 -6.197 -4.448 -8.113 1.00 0.00 C ATOM 806 CD1 TRP A 55 -6.286 -5.809 -8.052 1.00 0.00 C ATOM 807 CD2 TRP A 55 -6.596 -4.077 -9.437 1.00 0.00 C ATOM 808 NE1 TRP A 55 -6.716 -6.307 -9.258 1.00 0.00 N ATOM 809 CE2 TRP A 55 -6.914 -5.265 -10.125 1.00 0.00 C ATOM 810 CE3 TRP A 55 -6.717 -2.857 -10.109 1.00 0.00 C ATOM 811 CZ2 TRP A 55 -7.343 -5.266 -11.449 1.00 0.00 C ATOM 812 CZ3 TRP A 55 -7.143 -2.860 -11.423 1.00 0.00 C ATOM 813 CH2 TRP A 55 -7.453 -4.057 -12.082 1.00 0.00 C ATOM 0 H TRP A 55 -4.300 -5.403 -6.297 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.845 -3.019 -7.836 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.170 -3.884 -6.067 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.197 -2.538 -7.189 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.053 -6.406 -7.183 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.864 -7.293 -9.473 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.482 -1.929 -9.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.581 -6.188 -11.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.239 -1.923 -11.952 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.785 -4.025 -13.109 1.00 0.00 H new ATOM 824 N SER A 56 -3.818 -1.123 -6.153 1.00 0.00 N ATOM 825 CA SER A 56 -3.487 -0.076 -5.194 1.00 0.00 C ATOM 826 C SER A 56 -4.451 -0.098 -4.011 1.00 0.00 C ATOM 827 O SER A 56 -4.106 0.323 -2.907 1.00 0.00 O ATOM 828 CB SER A 56 -3.523 1.295 -5.871 1.00 0.00 C ATOM 829 OG SER A 56 -4.063 2.278 -5.004 1.00 0.00 O ATOM 0 H SER A 56 -3.979 -0.789 -7.103 1.00 0.00 H new ATOM 0 HA SER A 56 -2.479 -0.263 -4.822 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.515 1.583 -6.170 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.121 1.239 -6.780 1.00 0.00 H new ATOM 0 HG SER A 56 -4.074 3.146 -5.460 1.00 0.00 H new ATOM 835 N ARG A 57 -5.661 -0.591 -4.252 1.00 0.00 N ATOM 836 CA ARG A 57 -6.676 -0.667 -3.208 1.00 0.00 C ATOM 837 C ARG A 57 -6.428 -1.864 -2.294 1.00 0.00 C ATOM 838 O ARG A 57 -6.823 -1.859 -1.128 1.00 0.00 O ATOM 839 CB ARG A 57 -8.071 -0.767 -3.830 1.00 0.00 C ATOM 840 CG ARG A 57 -9.176 -0.229 -2.936 1.00 0.00 C ATOM 841 CD ARG A 57 -9.821 1.012 -3.534 1.00 0.00 C ATOM 842 NE ARG A 57 -10.131 2.012 -2.515 1.00 0.00 N ATOM 843 CZ ARG A 57 -10.700 3.181 -2.783 1.00 0.00 C ATOM 844 NH1 ARG A 57 -11.021 3.496 -4.031 1.00 0.00 N ATOM 845 NH2 ARG A 57 -10.951 4.039 -1.802 1.00 0.00 N ATOM 0 H ARG A 57 -5.963 -0.944 -5.160 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.616 0.243 -2.611 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.079 -0.220 -4.773 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.281 -1.810 -4.065 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.933 -0.999 -2.788 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.768 0.009 -1.954 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.152 1.446 -4.277 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.736 0.730 -4.055 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.898 1.800 -1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.831 2.839 -4.788 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.458 4.395 -4.234 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.707 3.800 -0.841 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.388 4.937 -2.009 1.00 0.00 H new ATOM 859 N ASP A 58 -5.774 -2.887 -2.832 1.00 0.00 N ATOM 860 CA ASP A 58 -5.472 -4.090 -2.066 1.00 0.00 C ATOM 861 C ASP A 58 -4.210 -3.901 -1.231 1.00 0.00 C ATOM 862 O ASP A 58 -4.229 -4.066 -0.011 1.00 0.00 O ATOM 863 CB ASP A 58 -5.305 -5.288 -3.001 1.00 0.00 C ATOM 864 CG ASP A 58 -6.612 -6.015 -3.250 1.00 0.00 C ATOM 865 OD1 ASP A 58 -7.209 -6.514 -2.273 1.00 0.00 O ATOM 866 OD2 ASP A 58 -7.038 -6.084 -4.422 1.00 0.00 O ATOM 0 H ASP A 58 -5.443 -2.907 -3.796 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.307 -4.279 -1.391 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.895 -4.948 -3.952 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.583 -5.982 -2.572 1.00 0.00 H new ATOM 871 N VAL A 59 -3.113 -3.554 -1.897 1.00 0.00 N ATOM 872 CA VAL A 59 -1.841 -3.342 -1.217 1.00 0.00 C ATOM 873 C VAL A 59 -1.975 -2.299 -0.113 1.00 0.00 C ATOM 874 O VAL A 59 -1.207 -2.296 0.849 1.00 0.00 O ATOM 875 CB VAL A 59 -0.745 -2.893 -2.202 1.00 0.00 C ATOM 876 CG1 VAL A 59 -1.182 -1.644 -2.954 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.565 -2.652 -1.468 1.00 0.00 C ATOM 0 H VAL A 59 -3.080 -3.414 -2.907 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.554 -4.297 -0.778 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.586 -3.689 -2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.395 -1.341 -3.645 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.094 -1.856 -3.512 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.370 -0.839 -2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.328 -2.336 -2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.424 -1.874 -0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.884 -3.573 -0.980 1.00 0.00 H new ATOM 887 N ARG A 60 -2.956 -1.414 -0.259 1.00 0.00 N ATOM 888 CA ARG A 60 -3.190 -0.365 0.726 1.00 0.00 C ATOM 889 C ARG A 60 -3.916 -0.919 1.949 1.00 0.00 C ATOM 890 O ARG A 60 -3.587 -0.578 3.085 1.00 0.00 O ATOM 891 CB ARG A 60 -4.006 0.772 0.107 1.00 0.00 C ATOM 892 CG ARG A 60 -4.246 1.936 1.055 1.00 0.00 C ATOM 893 CD ARG A 60 -5.621 2.551 0.845 1.00 0.00 C ATOM 894 NE ARG A 60 -6.577 2.111 1.857 1.00 0.00 N ATOM 895 CZ ARG A 60 -7.843 2.512 1.895 1.00 0.00 C ATOM 896 NH1 ARG A 60 -8.302 3.358 0.983 1.00 0.00 N ATOM 897 NH2 ARG A 60 -8.653 2.067 2.848 1.00 0.00 N ATOM 0 H ARG A 60 -3.601 -1.403 -1.049 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.222 0.022 1.044 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.489 1.138 -0.780 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.968 0.379 -0.224 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.153 1.593 2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.479 2.695 0.902 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.540 3.638 0.871 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.991 2.282 -0.144 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.255 1.460 2.574 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.683 3.703 0.250 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.274 3.664 1.015 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.303 1.417 3.552 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.625 2.375 2.876 1.00 0.00 H new ATOM 911 N TYR A 61 -4.903 -1.774 1.707 1.00 0.00 N ATOM 912 CA TYR A 61 -5.677 -2.373 2.788 1.00 0.00 C ATOM 913 C TYR A 61 -4.807 -3.299 3.632 1.00 0.00 C ATOM 914 O TYR A 61 -4.749 -3.173 4.855 1.00 0.00 O ATOM 915 CB TYR A 61 -6.867 -3.148 2.222 1.00 0.00 C ATOM 916 CG TYR A 61 -8.149 -2.942 2.998 1.00 0.00 C ATOM 917 CD1 TYR A 61 -8.685 -1.671 3.165 1.00 0.00 C ATOM 918 CD2 TYR A 61 -8.822 -4.017 3.565 1.00 0.00 C ATOM 919 CE1 TYR A 61 -9.855 -1.477 3.873 1.00 0.00 C ATOM 920 CE2 TYR A 61 -9.993 -3.833 4.273 1.00 0.00 C ATOM 921 CZ TYR A 61 -10.506 -2.561 4.425 1.00 0.00 C ATOM 922 OH TYR A 61 -11.672 -2.373 5.132 1.00 0.00 O ATOM 0 H TYR A 61 -5.186 -2.068 0.772 1.00 0.00 H new ATOM 0 HA TYR A 61 -6.046 -1.570 3.426 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.027 -2.847 1.187 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.626 -4.211 2.211 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.178 -0.820 2.734 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.422 -5.014 3.450 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.258 -0.482 3.994 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.505 -4.680 4.706 1.00 0.00 H new ATOM 0 HH TYR A 61 -12.003 -3.238 5.453 1.00 0.00 H new ATOM 932 N LYS A 62 -4.131 -4.232 2.970 1.00 0.00 N ATOM 933 CA LYS A 62 -3.262 -5.180 3.656 1.00 0.00 C ATOM 934 C LYS A 62 -2.143 -4.455 4.396 1.00 0.00 C ATOM 935 O LYS A 62 -1.696 -4.900 5.454 1.00 0.00 O ATOM 936 CB LYS A 62 -2.666 -6.174 2.655 1.00 0.00 C ATOM 937 CG LYS A 62 -3.710 -6.913 1.836 1.00 0.00 C ATOM 938 CD LYS A 62 -3.113 -8.116 1.126 1.00 0.00 C ATOM 939 CE LYS A 62 -4.096 -9.275 1.070 1.00 0.00 C ATOM 940 NZ LYS A 62 -3.424 -10.555 0.715 1.00 0.00 N ATOM 0 H LYS A 62 -4.169 -4.352 1.958 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.863 -5.724 4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.998 -5.640 1.979 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.059 -6.901 3.195 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.521 -7.239 2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.145 -6.235 1.102 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.822 -7.835 0.114 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.206 -8.431 1.642 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.590 -9.380 2.036 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.873 -9.057 0.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.128 -11.320 0.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.974 -10.464 -0.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.700 -10.776 1.428 1.00 0.00 H new ATOM 954 N SER A 63 -1.695 -3.337 3.835 1.00 0.00 N ATOM 955 CA SER A 63 -0.627 -2.551 4.441 1.00 0.00 C ATOM 956 C SER A 63 -1.170 -1.670 5.562 1.00 0.00 C ATOM 957 O SER A 63 -0.438 -1.283 6.472 1.00 0.00 O ATOM 958 CB SER A 63 0.062 -1.686 3.384 1.00 0.00 C ATOM 959 OG SER A 63 1.222 -1.066 3.910 1.00 0.00 O ATOM 0 H SER A 63 -2.055 -2.955 2.961 1.00 0.00 H new ATOM 0 HA SER A 63 0.102 -3.241 4.866 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.332 -2.301 2.526 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.630 -0.924 3.025 1.00 0.00 H new ATOM 0 HG SER A 63 1.935 -1.081 3.237 1.00 0.00 H new ATOM 965 N ASN A 64 -2.459 -1.356 5.488 1.00 0.00 N ATOM 966 CA ASN A 64 -3.101 -0.519 6.495 1.00 0.00 C ATOM 967 C ASN A 64 -2.493 0.881 6.507 1.00 0.00 C ATOM 968 O ASN A 64 -2.308 1.479 7.568 1.00 0.00 O ATOM 969 CB ASN A 64 -2.968 -1.157 7.879 1.00 0.00 C ATOM 970 CG ASN A 64 -4.163 -0.868 8.767 1.00 0.00 C ATOM 971 OD1 ASN A 64 -4.139 0.060 9.576 1.00 0.00 O ATOM 972 ND2 ASN A 64 -5.216 -1.663 8.619 1.00 0.00 N ATOM 0 H ASN A 64 -3.080 -1.668 4.741 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.158 -0.435 6.241 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.853 -2.235 7.769 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.063 -0.787 8.361 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.049 -1.517 9.188 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.191 -2.420 7.936 1.00 0.00 H new ATOM 979 N LEU A 65 -2.186 1.396 5.323 1.00 0.00 N ATOM 980 CA LEU A 65 -1.599 2.726 5.196 1.00 0.00 C ATOM 981 C LEU A 65 -2.498 3.641 4.370 1.00 0.00 C ATOM 982 O LEU A 65 -3.137 3.219 3.406 1.00 0.00 O ATOM 983 CB LEU A 65 -0.215 2.636 4.552 1.00 0.00 C ATOM 984 CG LEU A 65 0.769 1.667 5.209 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.092 1.660 4.460 1.00 0.00 C ATOM 986 CD2 LEU A 65 0.983 2.033 6.671 1.00 0.00 C ATOM 0 H LEU A 65 -2.333 0.914 4.436 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.500 3.149 6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.340 2.344 3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.230 3.631 4.554 1.00 0.00 H new ATOM 0 HG LEU A 65 0.345 0.664 5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.779 0.965 4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.925 1.349 3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.522 2.662 4.471 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.686 1.333 7.122 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.385 3.044 6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.032 1.985 7.201 1.00 0.00 H new ATOM 998 N PRO A 66 -2.548 4.926 4.753 1.00 0.00 N ATOM 999 CA PRO A 66 -3.362 5.928 4.060 1.00 0.00 C ATOM 1000 C PRO A 66 -2.817 6.260 2.675 1.00 0.00 C ATOM 1001 O PRO A 66 -1.627 6.090 2.408 1.00 0.00 O ATOM 1002 CB PRO A 66 -3.276 7.151 4.976 1.00 0.00 C ATOM 1003 CG PRO A 66 -1.994 6.981 5.716 1.00 0.00 C ATOM 1004 CD PRO A 66 -1.812 5.498 5.893 1.00 0.00 C ATOM 0 HA PRO A 66 -4.380 5.578 3.888 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.281 8.077 4.401 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.124 7.195 5.659 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.162 7.413 5.160 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.030 7.488 6.680 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.759 5.217 5.873 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.216 5.154 6.845 1.00 0.00 H new ATOM 1012 N LEU A 67 -3.694 6.736 1.798 1.00 0.00 N ATOM 1013 CA LEU A 67 -3.301 7.094 0.440 1.00 0.00 C ATOM 1014 C LEU A 67 -2.127 8.068 0.451 1.00 0.00 C ATOM 1015 O LEU A 67 -1.310 8.084 -0.470 1.00 0.00 O ATOM 1016 CB LEU A 67 -4.483 7.711 -0.309 1.00 0.00 C ATOM 1017 CG LEU A 67 -5.053 9.001 0.283 1.00 0.00 C ATOM 1018 CD1 LEU A 67 -4.673 10.196 -0.577 1.00 0.00 C ATOM 1019 CD2 LEU A 67 -6.565 8.901 0.422 1.00 0.00 C ATOM 0 H LEU A 67 -4.682 6.883 2.003 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.989 6.184 -0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.173 7.911 -1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.283 6.972 -0.357 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.625 9.143 1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.087 11.105 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.587 10.279 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.072 10.062 -1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.954 9.827 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.010 8.735 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.816 8.069 1.080 1.00 0.00 H new ATOM 1031 N THR A 68 -2.047 8.878 1.502 1.00 0.00 N ATOM 1032 CA THR A 68 -0.973 9.854 1.635 1.00 0.00 C ATOM 1033 C THR A 68 0.383 9.167 1.753 1.00 0.00 C ATOM 1034 O THR A 68 1.404 9.717 1.344 1.00 0.00 O ATOM 1035 CB THR A 68 -1.186 10.759 2.863 1.00 0.00 C ATOM 1036 OG1 THR A 68 -0.126 11.718 2.954 1.00 0.00 O ATOM 1037 CG2 THR A 68 -1.241 9.935 4.140 1.00 0.00 C ATOM 0 H THR A 68 -2.714 8.877 2.274 1.00 0.00 H new ATOM 0 HA THR A 68 -0.989 10.467 0.734 1.00 0.00 H new ATOM 0 HB THR A 68 -2.137 11.278 2.743 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.269 12.291 3.736 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.392 10.596 4.993 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.066 9.226 4.080 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.304 9.392 4.263 1.00 0.00 H new ATOM 1045 N GLU A 69 0.384 7.962 2.314 1.00 0.00 N ATOM 1046 CA GLU A 69 1.615 7.201 2.485 1.00 0.00 C ATOM 1047 C GLU A 69 1.895 6.336 1.259 1.00 0.00 C ATOM 1048 O GLU A 69 2.949 6.453 0.632 1.00 0.00 O ATOM 1049 CB GLU A 69 1.528 6.321 3.734 1.00 0.00 C ATOM 1050 CG GLU A 69 1.491 7.109 5.033 1.00 0.00 C ATOM 1051 CD GLU A 69 2.875 7.408 5.574 1.00 0.00 C ATOM 1052 OE1 GLU A 69 3.691 6.467 5.667 1.00 0.00 O ATOM 1053 OE2 GLU A 69 3.143 8.582 5.904 1.00 0.00 O ATOM 0 H GLU A 69 -0.454 7.492 2.658 1.00 0.00 H new ATOM 0 HA GLU A 69 2.435 7.909 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.634 5.701 3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.384 5.646 3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.959 8.046 4.870 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.927 6.548 5.778 1.00 0.00 H new ATOM 1060 N ILE A 70 0.946 5.469 0.925 1.00 0.00 N ATOM 1061 CA ILE A 70 1.090 4.586 -0.226 1.00 0.00 C ATOM 1062 C ILE A 70 1.462 5.371 -1.479 1.00 0.00 C ATOM 1063 O ILE A 70 2.165 4.867 -2.353 1.00 0.00 O ATOM 1064 CB ILE A 70 -0.205 3.796 -0.494 1.00 0.00 C ATOM 1065 CG1 ILE A 70 -0.581 2.959 0.730 1.00 0.00 C ATOM 1066 CG2 ILE A 70 -0.040 2.909 -1.719 1.00 0.00 C ATOM 1067 CD1 ILE A 70 0.430 1.884 1.061 1.00 0.00 C ATOM 0 H ILE A 70 0.069 5.359 1.435 1.00 0.00 H new ATOM 0 HA ILE A 70 1.891 3.886 0.012 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.011 4.504 -0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.693 3.619 1.591 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.551 2.493 0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.963 2.357 -1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.185 3.527 -2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.776 2.206 -1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.098 1.331 1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.525 1.201 0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.397 2.344 1.266 1.00 0.00 H new ATOM 1079 N ASN A 71 0.987 6.610 -1.557 1.00 0.00 N ATOM 1080 CA ASN A 71 1.271 7.466 -2.703 1.00 0.00 C ATOM 1081 C ASN A 71 2.774 7.658 -2.879 1.00 0.00 C ATOM 1082 O ASN A 71 3.292 7.602 -3.995 1.00 0.00 O ATOM 1083 CB ASN A 71 0.588 8.825 -2.532 1.00 0.00 C ATOM 1084 CG ASN A 71 -0.809 8.848 -3.121 1.00 0.00 C ATOM 1085 OD1 ASN A 71 -1.252 7.878 -3.736 1.00 0.00 O ATOM 1086 ND2 ASN A 71 -1.511 9.960 -2.934 1.00 0.00 N ATOM 0 H ASN A 71 0.404 7.043 -0.841 1.00 0.00 H new ATOM 0 HA ASN A 71 0.878 6.979 -3.596 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.536 9.072 -1.472 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.193 9.595 -3.009 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.458 10.034 -3.307 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.104 10.740 -2.418 1.00 0.00 H new ATOM 1093 N LYS A 72 3.470 7.885 -1.770 1.00 0.00 N ATOM 1094 CA LYS A 72 4.914 8.083 -1.800 1.00 0.00 C ATOM 1095 C LYS A 72 5.644 6.750 -1.922 1.00 0.00 C ATOM 1096 O LYS A 72 6.674 6.654 -2.590 1.00 0.00 O ATOM 1097 CB LYS A 72 5.375 8.815 -0.537 1.00 0.00 C ATOM 1098 CG LYS A 72 6.885 8.891 -0.395 1.00 0.00 C ATOM 1099 CD LYS A 72 7.289 9.559 0.909 1.00 0.00 C ATOM 1100 CE LYS A 72 7.758 8.539 1.936 1.00 0.00 C ATOM 1101 NZ LYS A 72 7.432 8.962 3.326 1.00 0.00 N ATOM 0 H LYS A 72 3.057 7.936 -0.839 1.00 0.00 H new ATOM 0 HA LYS A 72 5.154 8.690 -2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.968 9.826 -0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.961 8.311 0.336 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.306 7.887 -0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.303 9.447 -1.234 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.086 10.278 0.719 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.444 10.118 1.310 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.291 7.576 1.731 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.835 8.398 1.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.768 8.241 3.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.898 9.869 3.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.402 9.072 3.423 1.00 0.00 H new ATOM 1115 N ILE A 73 5.104 5.723 -1.273 1.00 0.00 N ATOM 1116 CA ILE A 73 5.704 4.395 -1.312 1.00 0.00 C ATOM 1117 C ILE A 73 5.674 3.819 -2.724 1.00 0.00 C ATOM 1118 O ILE A 73 6.715 3.497 -3.297 1.00 0.00 O ATOM 1119 CB ILE A 73 4.983 3.424 -0.358 1.00 0.00 C ATOM 1120 CG1 ILE A 73 5.025 3.958 1.075 1.00 0.00 C ATOM 1121 CG2 ILE A 73 5.614 2.042 -0.433 1.00 0.00 C ATOM 1122 CD1 ILE A 73 4.199 3.145 2.047 1.00 0.00 C ATOM 0 H ILE A 73 4.253 5.785 -0.714 1.00 0.00 H new ATOM 0 HA ILE A 73 6.739 4.507 -0.990 1.00 0.00 H new ATOM 0 HB ILE A 73 3.940 3.343 -0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.060 3.977 1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.669 4.988 1.081 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.094 1.367 0.247 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.537 1.662 -1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.664 2.106 -0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.275 3.581 3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.156 3.147 1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.569 2.120 2.070 1.00 0.00 H new ATOM 1134 N LEU A 74 4.474 3.694 -3.280 1.00 0.00 N ATOM 1135 CA LEU A 74 4.307 3.159 -4.627 1.00 0.00 C ATOM 1136 C LEU A 74 5.172 3.920 -5.626 1.00 0.00 C ATOM 1137 O LEU A 74 5.634 3.358 -6.619 1.00 0.00 O ATOM 1138 CB LEU A 74 2.838 3.232 -5.047 1.00 0.00 C ATOM 1139 CG LEU A 74 1.925 2.141 -4.488 1.00 0.00 C ATOM 1140 CD1 LEU A 74 0.489 2.363 -4.938 1.00 0.00 C ATOM 1141 CD2 LEU A 74 2.413 0.765 -4.917 1.00 0.00 C ATOM 0 H LEU A 74 3.602 3.956 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 74 4.625 2.116 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.442 4.201 -4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.790 3.196 -6.135 1.00 0.00 H new ATOM 0 HG LEU A 74 1.955 2.192 -3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.146 1.576 -4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.141 3.332 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.441 2.340 -6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.751 0.001 -4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.414 0.702 -6.005 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.425 0.605 -4.544 1.00 0.00 H new ATOM 1153 N LYS A 75 5.390 5.203 -5.356 1.00 0.00 N ATOM 1154 CA LYS A 75 6.203 6.042 -6.229 1.00 0.00 C ATOM 1155 C LYS A 75 7.688 5.853 -5.936 1.00 0.00 C ATOM 1156 O LYS A 75 8.531 6.036 -6.813 1.00 0.00 O ATOM 1157 CB LYS A 75 5.821 7.514 -6.056 1.00 0.00 C ATOM 1158 CG LYS A 75 5.979 8.336 -7.323 1.00 0.00 C ATOM 1159 CD LYS A 75 4.634 8.635 -7.965 1.00 0.00 C ATOM 1160 CE LYS A 75 4.150 10.034 -7.619 1.00 0.00 C ATOM 1161 NZ LYS A 75 3.291 10.038 -6.402 1.00 0.00 N ATOM 0 H LYS A 75 5.015 5.685 -4.539 1.00 0.00 H new ATOM 0 HA LYS A 75 6.013 5.743 -7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.786 7.575 -5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.437 7.951 -5.270 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.488 9.271 -7.090 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.609 7.798 -8.031 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.716 8.535 -9.047 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.899 7.902 -7.632 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.009 10.686 -7.460 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.590 10.443 -8.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.981 11.010 -6.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.459 9.436 -6.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.833 9.671 -5.593 1.00 0.00 H new ATOM 1175 N ASN A 76 8.000 5.485 -4.697 1.00 0.00 N ATOM 1176 CA ASN A 76 9.384 5.271 -4.289 1.00 0.00 C ATOM 1177 C ASN A 76 9.988 4.076 -5.021 1.00 0.00 C ATOM 1178 O ASN A 76 10.970 4.213 -5.752 1.00 0.00 O ATOM 1179 CB ASN A 76 9.463 5.051 -2.777 1.00 0.00 C ATOM 1180 CG ASN A 76 10.522 5.917 -2.122 1.00 0.00 C ATOM 1181 OD1 ASN A 76 11.719 5.655 -2.247 1.00 0.00 O ATOM 1182 ND2 ASN A 76 10.086 6.955 -1.419 1.00 0.00 N ATOM 0 H ASN A 76 7.314 5.329 -3.959 1.00 0.00 H new ATOM 0 HA ASN A 76 9.956 6.161 -4.550 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.493 5.267 -2.330 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.680 4.002 -2.576 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.752 7.573 -0.956 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.085 7.135 -1.342 1.00 0.00 H new ATOM 1189 N LEU A 77 9.394 2.905 -4.819 1.00 0.00 N ATOM 1190 CA LEU A 77 9.872 1.684 -5.460 1.00 0.00 C ATOM 1191 C LEU A 77 10.012 1.879 -6.966 1.00 0.00 C ATOM 1192 O LEU A 77 10.950 1.374 -7.582 1.00 0.00 O ATOM 1193 CB LEU A 77 8.917 0.525 -5.171 1.00 0.00 C ATOM 1194 CG LEU A 77 9.131 -0.206 -3.845 1.00 0.00 C ATOM 1195 CD1 LEU A 77 7.929 -1.078 -3.516 1.00 0.00 C ATOM 1196 CD2 LEU A 77 10.401 -1.043 -3.897 1.00 0.00 C ATOM 0 H LEU A 77 8.581 2.775 -4.217 1.00 0.00 H new ATOM 0 HA LEU A 77 10.854 1.448 -5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.897 0.908 -5.191 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.002 -0.200 -5.980 1.00 0.00 H new ATOM 0 HG LEU A 77 9.241 0.538 -3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.099 -1.590 -2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.038 -0.455 -3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.787 -1.815 -4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.538 -1.556 -2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.320 -1.778 -4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.257 -0.395 -4.086 1.00 0.00 H new ATOM 1208 N GLU A 78 9.074 2.616 -7.552 1.00 0.00 N ATOM 1209 CA GLU A 78 9.095 2.879 -8.987 1.00 0.00 C ATOM 1210 C GLU A 78 10.414 3.523 -9.403 1.00 0.00 C ATOM 1211 O GLU A 78 11.123 3.008 -10.267 1.00 0.00 O ATOM 1212 CB GLU A 78 7.926 3.785 -9.379 1.00 0.00 C ATOM 1213 CG GLU A 78 7.367 3.493 -10.761 1.00 0.00 C ATOM 1214 CD GLU A 78 7.855 4.476 -11.807 1.00 0.00 C ATOM 1215 OE1 GLU A 78 7.425 5.648 -11.769 1.00 0.00 O ATOM 1216 OE2 GLU A 78 8.669 4.073 -12.665 1.00 0.00 O ATOM 0 H GLU A 78 8.291 3.041 -7.056 1.00 0.00 H new ATOM 0 HA GLU A 78 8.997 1.926 -9.507 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.129 3.675 -8.643 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.254 4.824 -9.341 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.650 2.483 -11.057 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.278 3.521 -10.722 1.00 0.00 H new ATOM 1223 N SER A 79 10.736 4.653 -8.782 1.00 0.00 N ATOM 1224 CA SER A 79 11.967 5.371 -9.090 1.00 0.00 C ATOM 1225 C SER A 79 13.183 4.471 -8.898 1.00 0.00 C ATOM 1226 O SER A 79 14.155 4.550 -9.650 1.00 0.00 O ATOM 1227 CB SER A 79 12.093 6.613 -8.207 1.00 0.00 C ATOM 1228 OG SER A 79 13.394 7.169 -8.291 1.00 0.00 O ATOM 0 H SER A 79 10.161 5.091 -8.062 1.00 0.00 H new ATOM 0 HA SER A 79 11.926 5.680 -10.135 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.356 7.356 -8.512 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.872 6.351 -7.172 1.00 0.00 H new ATOM 0 HG SER A 79 13.448 7.963 -7.719 1.00 0.00 H new ATOM 1234 N LYS A 80 13.123 3.614 -7.884 1.00 0.00 N ATOM 1235 CA LYS A 80 14.217 2.696 -7.590 1.00 0.00 C ATOM 1236 C LYS A 80 14.357 1.647 -8.689 1.00 0.00 C ATOM 1237 O LYS A 80 15.356 0.930 -8.754 1.00 0.00 O ATOM 1238 CB LYS A 80 13.988 2.011 -6.241 1.00 0.00 C ATOM 1239 CG LYS A 80 13.587 2.969 -5.133 1.00 0.00 C ATOM 1240 CD LYS A 80 14.445 2.777 -3.893 1.00 0.00 C ATOM 1241 CE LYS A 80 13.935 3.611 -2.728 1.00 0.00 C ATOM 1242 NZ LYS A 80 14.476 4.998 -2.760 1.00 0.00 N ATOM 0 H LYS A 80 12.327 3.536 -7.251 1.00 0.00 H new ATOM 0 HA LYS A 80 15.140 3.274 -7.544 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.212 1.254 -6.354 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.900 1.491 -5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.681 3.996 -5.487 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.538 2.814 -4.879 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.451 1.724 -3.613 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.476 3.053 -4.116 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.846 3.645 -2.755 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.215 3.133 -1.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 15.202 5.105 -2.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.899 5.184 -3.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.706 5.675 -2.588 1.00 0.00 H new ATOM 1256 N LYS A 81 13.350 1.562 -9.551 1.00 0.00 N ATOM 1257 CA LYS A 81 13.360 0.603 -10.649 1.00 0.00 C ATOM 1258 C LYS A 81 13.363 -0.828 -10.120 1.00 0.00 C ATOM 1259 O LYS A 81 13.964 -1.721 -10.720 1.00 0.00 O ATOM 1260 CB LYS A 81 14.583 0.830 -11.541 1.00 0.00 C ATOM 1261 CG LYS A 81 14.407 0.311 -12.957 1.00 0.00 C ATOM 1262 CD LYS A 81 15.172 1.158 -13.960 1.00 0.00 C ATOM 1263 CE LYS A 81 16.506 0.523 -14.324 1.00 0.00 C ATOM 1264 NZ LYS A 81 17.578 1.542 -14.495 1.00 0.00 N ATOM 0 H LYS A 81 12.515 2.147 -9.510 1.00 0.00 H new ATOM 0 HA LYS A 81 12.455 0.753 -11.238 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.802 1.897 -11.579 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.447 0.343 -11.089 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.752 -0.721 -13.013 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.348 0.307 -13.215 1.00 0.00 H new ATOM 0 HD2 LYS A 81 14.572 1.288 -14.861 1.00 0.00 H new ATOM 0 HD3 LYS A 81 15.342 2.151 -13.544 1.00 0.00 H new ATOM 0 HE2 LYS A 81 16.797 -0.182 -13.546 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.397 -0.047 -15.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 18.470 1.069 -14.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 17.313 2.200 -15.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 17.700 2.069 -13.607 1.00 0.00 H new ATOM 1278 N LEU A 82 12.687 -1.040 -8.997 1.00 0.00 N ATOM 1279 CA LEU A 82 12.610 -2.364 -8.388 1.00 0.00 C ATOM 1280 C LEU A 82 11.293 -3.049 -8.741 1.00 0.00 C ATOM 1281 O LEU A 82 11.206 -4.278 -8.756 1.00 0.00 O ATOM 1282 CB LEU A 82 12.752 -2.258 -6.869 1.00 0.00 C ATOM 1283 CG LEU A 82 14.167 -2.012 -6.343 1.00 0.00 C ATOM 1284 CD1 LEU A 82 14.162 -1.909 -4.826 1.00 0.00 C ATOM 1285 CD2 LEU A 82 15.106 -3.119 -6.801 1.00 0.00 C ATOM 0 H LEU A 82 12.184 -0.312 -8.489 1.00 0.00 H new ATOM 0 HA LEU A 82 13.429 -2.966 -8.781 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.110 -1.449 -6.520 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.375 -3.179 -6.424 1.00 0.00 H new ATOM 0 HG LEU A 82 14.526 -1.067 -6.750 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.177 -1.734 -4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.522 -1.081 -4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.783 -2.838 -4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 82 16.108 -2.928 -6.418 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.750 -4.078 -6.424 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.133 -3.146 -7.890 1.00 0.00 H new ATOM 1297 N ILE A 83 10.273 -2.248 -9.025 1.00 0.00 N ATOM 1298 CA ILE A 83 8.962 -2.777 -9.380 1.00 0.00 C ATOM 1299 C ILE A 83 8.515 -2.268 -10.746 1.00 0.00 C ATOM 1300 O ILE A 83 9.173 -1.420 -11.351 1.00 0.00 O ATOM 1301 CB ILE A 83 7.899 -2.400 -8.331 1.00 0.00 C ATOM 1302 CG1 ILE A 83 7.758 -0.879 -8.241 1.00 0.00 C ATOM 1303 CG2 ILE A 83 8.262 -2.985 -6.975 1.00 0.00 C ATOM 1304 CD1 ILE A 83 6.693 -0.428 -7.265 1.00 0.00 C ATOM 0 H ILE A 83 10.329 -1.230 -9.016 1.00 0.00 H new ATOM 0 HA ILE A 83 9.059 -3.862 -9.413 1.00 0.00 H new ATOM 0 HB ILE A 83 6.941 -2.818 -8.640 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.716 -0.450 -7.945 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.524 -0.485 -9.230 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.501 -2.710 -6.245 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.317 -4.071 -7.050 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.229 -2.594 -6.657 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.648 0.661 -7.253 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.726 -0.827 -7.571 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.936 -0.792 -6.267 1.00 0.00 H new ATOM 1316 N LYS A 84 7.391 -2.788 -11.227 1.00 0.00 N ATOM 1317 CA LYS A 84 6.853 -2.385 -12.521 1.00 0.00 C ATOM 1318 C LYS A 84 5.341 -2.201 -12.447 1.00 0.00 C ATOM 1319 O LYS A 84 4.605 -3.144 -12.158 1.00 0.00 O ATOM 1320 CB LYS A 84 7.200 -3.426 -13.588 1.00 0.00 C ATOM 1321 CG LYS A 84 6.696 -4.822 -13.262 1.00 0.00 C ATOM 1322 CD LYS A 84 7.646 -5.891 -13.775 1.00 0.00 C ATOM 1323 CE LYS A 84 6.891 -7.102 -14.300 1.00 0.00 C ATOM 1324 NZ LYS A 84 7.666 -7.829 -15.344 1.00 0.00 N ATOM 0 H LYS A 84 6.834 -3.490 -10.740 1.00 0.00 H new ATOM 0 HA LYS A 84 7.305 -1.431 -12.794 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.779 -3.110 -14.542 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.282 -3.459 -13.713 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.579 -4.925 -12.183 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.711 -4.967 -13.705 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.268 -5.476 -14.569 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.317 -6.199 -12.973 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.671 -7.779 -13.474 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.935 -6.782 -14.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.118 -8.648 -15.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.855 -7.191 -16.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.568 -8.156 -14.942 1.00 0.00 H new ATOM 1338 N ALA A 85 4.884 -0.982 -12.713 1.00 0.00 N ATOM 1339 CA ALA A 85 3.459 -0.676 -12.680 1.00 0.00 C ATOM 1340 C ALA A 85 2.752 -1.221 -13.916 1.00 0.00 C ATOM 1341 O ALA A 85 3.298 -1.193 -15.019 1.00 0.00 O ATOM 1342 CB ALA A 85 3.244 0.826 -12.565 1.00 0.00 C ATOM 0 H ALA A 85 5.480 -0.190 -12.954 1.00 0.00 H new ATOM 0 HA ALA A 85 3.028 -1.161 -11.804 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.175 1.040 -12.541 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.707 1.191 -11.648 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.695 1.325 -13.423 1.00 0.00 H new ATOM 1348 N VAL A 86 1.533 -1.716 -13.726 1.00 0.00 N ATOM 1349 CA VAL A 86 0.751 -2.267 -14.826 1.00 0.00 C ATOM 1350 C VAL A 86 -0.658 -1.685 -14.843 1.00 0.00 C ATOM 1351 O VAL A 86 -1.438 -1.888 -13.912 1.00 0.00 O ATOM 1352 CB VAL A 86 0.660 -3.802 -14.736 1.00 0.00 C ATOM 1353 CG1 VAL A 86 1.973 -4.440 -15.164 1.00 0.00 C ATOM 1354 CG2 VAL A 86 0.283 -4.231 -13.327 1.00 0.00 C ATOM 0 H VAL A 86 1.066 -1.747 -12.820 1.00 0.00 H new ATOM 0 HA VAL A 86 1.265 -1.995 -15.748 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.121 -4.144 -15.416 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.890 -5.525 -15.094 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.196 -4.159 -16.193 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.775 -4.094 -14.512 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.223 -5.318 -13.282 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.039 -3.880 -12.625 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.684 -3.803 -13.063 1.00 0.00 H new ATOM 1364 N LYS A 87 -0.981 -0.961 -15.910 1.00 0.00 N ATOM 1365 CA LYS A 87 -2.297 -0.351 -16.051 1.00 0.00 C ATOM 1366 C LYS A 87 -3.300 -1.346 -16.626 1.00 0.00 C ATOM 1367 O LYS A 87 -2.954 -2.171 -17.472 1.00 0.00 O ATOM 1368 CB LYS A 87 -2.215 0.884 -16.952 1.00 0.00 C ATOM 1369 CG LYS A 87 -3.570 1.486 -17.284 1.00 0.00 C ATOM 1370 CD LYS A 87 -3.432 2.885 -17.859 1.00 0.00 C ATOM 1371 CE LYS A 87 -4.738 3.366 -18.474 1.00 0.00 C ATOM 1372 NZ LYS A 87 -4.621 3.556 -19.946 1.00 0.00 N ATOM 0 H LYS A 87 -0.348 -0.783 -16.690 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.638 -0.050 -15.060 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.601 1.640 -16.463 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.710 0.614 -17.879 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.088 0.847 -17.999 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.184 1.520 -16.384 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.123 3.574 -17.073 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.648 2.893 -18.616 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.527 2.644 -18.263 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.034 4.306 -18.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.531 3.884 -20.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.886 4.264 -20.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.364 2.653 -20.393 1.00 0.00 H new