USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 695 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.108 (180deg=-0.0309) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 53:sc= 0.143 USER MOD Single : A 13 CYS SG : rot 180:sc= -0.324 USER MOD Single : A 15 TYR OH : rot -86:sc= 0.53 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= 1.21 (180deg=0.625) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0451 USER MOD Single : A 21 GLN : amide:sc= -0.0701 X(o=-0.07,f=-0.0092) USER MOD Single : A 23 LYS NZ :NH3+ -155:sc= 2.42 (180deg=1.88) USER MOD Single : A 25 LYS NZ :NH3+ -156:sc= 0.374 (180deg=-0.288!) USER MOD Single : A 28 HIS : no HE2:sc= -0.228 K(o=-0.23,f=-1.8) USER MOD Single : A 33 CYS SG : rot 180:sc= 0.00631 USER MOD Single : A 37 CYS SG : rot 72:sc= 0.587 USER MOD Single : A 41 THR OG1 : rot -63:sc= 1.31 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -0.145 K(o=-0.14,f=-4.6!) USER MOD Single : A 59 SER OG : rot 69:sc= 1.42 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -172:sc= 1.26 (180deg=1.19) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc=-0.000965 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -151:sc= 1.45 (180deg=1.04) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 64:sc= 1.24 USER MOD Single : A 81 LYS NZ :NH3+ 163:sc= 1.2 (180deg=0.892) USER MOD Single : A 86 GLN : amide:sc= -0.0451 K(o=-0.045,f=-3!) USER MOD Single : A 87 CYS SG : rot -98:sc= -0.121 USER MOD Single : A 88 GLN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.718 0.509 0.429 1.00 0.00 N ATOM 2 CA MET A 1 1.460 0.362 -0.847 1.00 0.00 C ATOM 3 C MET A 1 2.524 1.447 -0.965 1.00 0.00 C ATOM 4 O MET A 1 2.370 2.488 -0.333 1.00 0.00 O ATOM 5 CB MET A 1 0.521 0.387 -2.070 1.00 0.00 C ATOM 6 CG MET A 1 -0.312 1.672 -2.205 1.00 0.00 C ATOM 7 SD MET A 1 -1.474 1.701 -3.599 1.00 0.00 S ATOM 8 CE MET A 1 -2.806 0.677 -2.915 1.00 0.00 C ATOM 0 H1 MET A 1 -0.273 0.225 0.289 1.00 0.00 H new ATOM 0 H2 MET A 1 1.152 -0.096 1.155 1.00 0.00 H new ATOM 0 H3 MET A 1 0.754 1.501 0.739 1.00 0.00 H new ATOM 0 HA MET A 1 1.945 -0.614 -0.835 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.117 0.259 -2.973 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.156 -0.466 -2.011 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.873 1.820 -1.282 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.369 2.518 -2.303 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.610 0.589 -3.646 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.419 -0.315 -2.681 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.191 1.140 -2.007 1.00 0.00 H new ATOM 20 N ALA A 2 3.574 1.233 -1.772 1.00 0.00 N ATOM 21 CA ALA A 2 4.389 2.332 -2.310 1.00 0.00 C ATOM 22 C ALA A 2 3.585 3.171 -3.323 1.00 0.00 C ATOM 23 O ALA A 2 2.469 2.798 -3.693 1.00 0.00 O ATOM 24 CB ALA A 2 5.646 1.762 -2.976 1.00 0.00 C ATOM 0 H ALA A 2 3.879 0.306 -2.067 1.00 0.00 H new ATOM 0 HA ALA A 2 4.679 2.985 -1.487 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.249 2.578 -3.374 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.228 1.207 -2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.357 1.095 -3.788 1.00 0.00 H new ATOM 30 N LEU A 3 4.146 4.287 -3.803 1.00 0.00 N ATOM 31 CA LEU A 3 3.472 5.234 -4.686 1.00 0.00 C ATOM 32 C LEU A 3 4.128 5.335 -6.072 1.00 0.00 C ATOM 33 O LEU A 3 5.222 5.866 -6.223 1.00 0.00 O ATOM 34 CB LEU A 3 3.381 6.610 -4.000 1.00 0.00 C ATOM 35 CG LEU A 3 1.988 7.280 -4.072 1.00 0.00 C ATOM 36 CD1 LEU A 3 1.145 6.958 -5.315 1.00 0.00 C ATOM 37 CD2 LEU A 3 1.142 6.849 -2.874 1.00 0.00 C ATOM 0 H LEU A 3 5.104 4.559 -3.581 1.00 0.00 H new ATOM 0 HA LEU A 3 2.465 4.857 -4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.661 6.497 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.113 7.277 -4.456 1.00 0.00 H new ATOM 0 HG LEU A 3 2.221 8.345 -4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.192 7.483 -5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.679 7.278 -6.210 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.965 5.884 -5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.163 7.324 -2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.021 5.766 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.638 7.149 -1.951 1.00 0.00 H new ATOM 49 N ALA A 4 3.422 4.860 -7.091 1.00 0.00 N ATOM 50 CA ALA A 4 3.830 4.875 -8.493 1.00 0.00 C ATOM 51 C ALA A 4 3.630 6.263 -9.138 1.00 0.00 C ATOM 52 O ALA A 4 2.489 6.670 -9.377 1.00 0.00 O ATOM 53 CB ALA A 4 3.026 3.781 -9.213 1.00 0.00 C ATOM 0 H ALA A 4 2.505 4.433 -6.957 1.00 0.00 H new ATOM 0 HA ALA A 4 4.898 4.672 -8.577 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.303 3.760 -10.267 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.243 2.813 -8.761 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.961 3.993 -9.122 1.00 0.00 H new ATOM 59 N VAL A 5 4.709 6.988 -9.456 1.00 0.00 N ATOM 60 CA VAL A 5 4.675 8.287 -10.154 1.00 0.00 C ATOM 61 C VAL A 5 5.290 8.160 -11.545 1.00 0.00 C ATOM 62 O VAL A 5 6.173 7.337 -11.776 1.00 0.00 O ATOM 63 CB VAL A 5 5.324 9.429 -9.339 1.00 0.00 C ATOM 64 CG1 VAL A 5 5.015 10.839 -9.867 1.00 0.00 C ATOM 65 CG2 VAL A 5 4.879 9.424 -7.875 1.00 0.00 C ATOM 0 H VAL A 5 5.656 6.683 -9.231 1.00 0.00 H new ATOM 0 HA VAL A 5 3.627 8.566 -10.264 1.00 0.00 H new ATOM 0 HB VAL A 5 6.390 9.224 -9.440 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.509 11.579 -9.238 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.379 10.932 -10.890 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.938 11.007 -9.848 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.362 10.245 -7.345 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.797 9.546 -7.823 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.160 8.478 -7.412 1.00 0.00 H new ATOM 75 N ARG A 6 4.818 8.944 -12.506 1.00 0.00 N ATOM 76 CA ARG A 6 5.385 9.105 -13.864 1.00 0.00 C ATOM 77 C ARG A 6 5.460 10.577 -14.251 1.00 0.00 C ATOM 78 O ARG A 6 4.762 11.413 -13.682 1.00 0.00 O ATOM 79 CB ARG A 6 4.597 8.323 -14.946 1.00 0.00 C ATOM 80 CG ARG A 6 5.080 6.878 -15.145 1.00 0.00 C ATOM 81 CD ARG A 6 4.388 5.947 -14.150 1.00 0.00 C ATOM 82 NE ARG A 6 5.067 4.644 -13.979 1.00 0.00 N ATOM 83 CZ ARG A 6 5.452 4.097 -12.835 1.00 0.00 C ATOM 84 NH1 ARG A 6 5.338 4.700 -11.698 1.00 0.00 N ATOM 85 NH2 ARG A 6 6.016 2.931 -12.783 1.00 0.00 N ATOM 0 H ARG A 6 3.988 9.519 -12.365 1.00 0.00 H new ATOM 0 HA ARG A 6 6.390 8.684 -13.823 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.542 8.309 -14.674 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.674 8.855 -15.894 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.869 6.554 -16.164 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.161 6.827 -15.011 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.328 6.445 -13.182 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.365 5.772 -14.482 1.00 0.00 H new ATOM 0 HE ARG A 6 5.258 4.112 -14.828 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.938 5.637 -11.656 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.648 4.239 -10.843 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.176 2.403 -13.641 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.299 2.541 -11.884 1.00 0.00 H new ATOM 99 N VAL A 7 6.269 10.847 -15.275 1.00 0.00 N ATOM 100 CA VAL A 7 6.409 12.124 -15.992 1.00 0.00 C ATOM 101 C VAL A 7 6.438 11.848 -17.493 1.00 0.00 C ATOM 102 O VAL A 7 7.459 11.404 -18.018 1.00 0.00 O ATOM 103 CB VAL A 7 7.677 12.905 -15.588 1.00 0.00 C ATOM 104 CG1 VAL A 7 7.684 14.278 -16.274 1.00 0.00 C ATOM 105 CG2 VAL A 7 7.773 13.120 -14.073 1.00 0.00 C ATOM 0 H VAL A 7 6.889 10.132 -15.656 1.00 0.00 H new ATOM 0 HA VAL A 7 5.555 12.746 -15.724 1.00 0.00 H new ATOM 0 HB VAL A 7 8.531 12.306 -15.904 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.582 14.825 -15.985 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.673 14.144 -17.356 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.802 14.841 -15.969 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.683 13.674 -13.841 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.906 13.685 -13.730 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.798 12.154 -13.569 1.00 0.00 H new ATOM 115 N VAL A 8 5.319 12.065 -18.181 1.00 0.00 N ATOM 116 CA VAL A 8 5.281 11.994 -19.650 1.00 0.00 C ATOM 117 C VAL A 8 5.970 13.235 -20.217 1.00 0.00 C ATOM 118 O VAL A 8 5.492 14.336 -19.943 1.00 0.00 O ATOM 119 CB VAL A 8 3.843 11.924 -20.201 1.00 0.00 C ATOM 120 CG1 VAL A 8 3.859 11.568 -21.688 1.00 0.00 C ATOM 121 CG2 VAL A 8 2.932 10.934 -19.459 1.00 0.00 C ATOM 0 H VAL A 8 4.423 12.292 -17.749 1.00 0.00 H new ATOM 0 HA VAL A 8 5.793 11.080 -19.953 1.00 0.00 H new ATOM 0 HB VAL A 8 3.424 12.918 -20.043 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.836 11.522 -22.062 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.413 12.328 -22.238 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.339 10.599 -21.825 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.939 10.946 -19.909 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.351 9.930 -19.531 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.859 11.223 -18.410 1.00 0.00 H new ATOM 131 N TYR A 9 7.057 13.115 -20.992 1.00 0.00 N ATOM 132 CA TYR A 9 7.619 14.276 -21.700 1.00 0.00 C ATOM 133 C TYR A 9 8.271 13.949 -23.048 1.00 0.00 C ATOM 134 O TYR A 9 9.001 12.975 -23.217 1.00 0.00 O ATOM 135 CB TYR A 9 8.635 15.033 -20.833 1.00 0.00 C ATOM 136 CG TYR A 9 9.176 16.313 -21.464 1.00 0.00 C ATOM 137 CD1 TYR A 9 8.306 17.374 -21.765 1.00 0.00 C ATOM 138 CD2 TYR A 9 10.535 16.432 -21.801 1.00 0.00 C ATOM 139 CE1 TYR A 9 8.772 18.538 -22.404 1.00 0.00 C ATOM 140 CE2 TYR A 9 11.024 17.612 -22.402 1.00 0.00 C ATOM 141 CZ TYR A 9 10.141 18.666 -22.711 1.00 0.00 C ATOM 142 OH TYR A 9 10.605 19.804 -23.294 1.00 0.00 O ATOM 0 H TYR A 9 7.559 12.240 -21.144 1.00 0.00 H new ATOM 0 HA TYR A 9 6.751 14.903 -21.905 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.167 15.282 -19.881 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.471 14.370 -20.613 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.262 17.295 -21.502 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.211 15.614 -21.599 1.00 0.00 H new ATOM 0 HE1 TYR A 9 8.083 19.330 -22.658 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.076 17.707 -22.625 1.00 0.00 H new ATOM 0 HH TYR A 9 11.572 19.728 -23.437 1.00 0.00 H new ATOM 152 N SER A 10 8.090 14.872 -23.984 1.00 0.00 N ATOM 153 CA SER A 10 8.774 14.963 -25.274 1.00 0.00 C ATOM 154 C SER A 10 10.206 15.505 -25.112 1.00 0.00 C ATOM 155 O SER A 10 10.473 16.677 -25.386 1.00 0.00 O ATOM 156 CB SER A 10 7.925 15.834 -26.206 1.00 0.00 C ATOM 157 OG SER A 10 7.582 17.047 -25.560 1.00 0.00 O ATOM 0 H SER A 10 7.418 15.628 -23.857 1.00 0.00 H new ATOM 0 HA SER A 10 8.880 13.971 -25.712 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.476 16.044 -27.122 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.021 15.298 -26.494 1.00 0.00 H new ATOM 0 HG SER A 10 8.394 17.479 -25.222 1.00 0.00 H new ATOM 163 N GLY A 11 11.124 14.639 -24.668 1.00 0.00 N ATOM 164 CA GLY A 11 12.524 14.887 -24.278 1.00 0.00 C ATOM 165 C GLY A 11 13.506 15.470 -25.310 1.00 0.00 C ATOM 166 O GLY A 11 14.704 15.232 -25.174 1.00 0.00 O ATOM 0 H GLY A 11 10.887 13.653 -24.561 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.510 15.562 -23.423 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.939 13.941 -23.930 1.00 0.00 H new ATOM 170 N ALA A 12 13.050 16.232 -26.306 1.00 0.00 N ATOM 171 CA ALA A 12 13.847 16.696 -27.448 1.00 0.00 C ATOM 172 C ALA A 12 15.069 17.568 -27.083 1.00 0.00 C ATOM 173 O ALA A 12 16.062 17.571 -27.806 1.00 0.00 O ATOM 174 CB ALA A 12 12.906 17.449 -28.397 1.00 0.00 C ATOM 0 H ALA A 12 12.083 16.555 -26.343 1.00 0.00 H new ATOM 0 HA ALA A 12 14.283 15.815 -27.919 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.469 17.808 -29.259 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.116 16.778 -28.734 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.464 18.297 -27.874 1.00 0.00 H new ATOM 180 N CYS A 13 15.013 18.311 -25.973 1.00 0.00 N ATOM 181 CA CYS A 13 16.138 19.079 -25.431 1.00 0.00 C ATOM 182 C CYS A 13 15.978 19.283 -23.911 1.00 0.00 C ATOM 183 O CYS A 13 14.878 19.131 -23.377 1.00 0.00 O ATOM 184 CB CYS A 13 16.217 20.415 -26.190 1.00 0.00 C ATOM 185 SG CYS A 13 17.764 21.286 -25.804 1.00 0.00 S ATOM 0 H CYS A 13 14.164 18.397 -25.414 1.00 0.00 H new ATOM 0 HA CYS A 13 17.072 18.536 -25.571 1.00 0.00 H new ATOM 0 HB2 CYS A 13 16.155 20.233 -27.263 1.00 0.00 H new ATOM 0 HB3 CYS A 13 15.366 21.041 -25.923 1.00 0.00 H new ATOM 0 HG CYS A 13 17.805 22.408 -26.459 1.00 0.00 H new ATOM 191 N GLY A 14 17.068 19.624 -23.210 1.00 0.00 N ATOM 192 CA GLY A 14 17.145 20.105 -21.815 1.00 0.00 C ATOM 193 C GLY A 14 16.654 19.178 -20.687 1.00 0.00 C ATOM 194 O GLY A 14 16.957 19.422 -19.521 1.00 0.00 O ATOM 0 H GLY A 14 17.994 19.568 -23.633 1.00 0.00 H new ATOM 0 HA2 GLY A 14 18.186 20.355 -21.608 1.00 0.00 H new ATOM 0 HA3 GLY A 14 16.576 21.032 -21.753 1.00 0.00 H new ATOM 198 N TYR A 15 15.902 18.122 -21.005 1.00 0.00 N ATOM 199 CA TYR A 15 15.087 17.367 -20.050 1.00 0.00 C ATOM 200 C TYR A 15 15.878 16.751 -18.899 1.00 0.00 C ATOM 201 O TYR A 15 15.514 16.959 -17.747 1.00 0.00 O ATOM 202 CB TYR A 15 14.304 16.286 -20.810 1.00 0.00 C ATOM 203 CG TYR A 15 13.305 15.479 -19.993 1.00 0.00 C ATOM 204 CD1 TYR A 15 12.390 16.124 -19.133 1.00 0.00 C ATOM 205 CD2 TYR A 15 13.217 14.083 -20.174 1.00 0.00 C ATOM 206 CE1 TYR A 15 11.400 15.376 -18.466 1.00 0.00 C ATOM 207 CE2 TYR A 15 12.222 13.335 -19.510 1.00 0.00 C ATOM 208 CZ TYR A 15 11.309 13.982 -18.651 1.00 0.00 C ATOM 209 OH TYR A 15 10.304 13.290 -18.050 1.00 0.00 O ATOM 0 H TYR A 15 15.841 17.759 -21.956 1.00 0.00 H new ATOM 0 HA TYR A 15 14.409 18.078 -19.578 1.00 0.00 H new ATOM 0 HB2 TYR A 15 13.769 16.764 -21.630 1.00 0.00 H new ATOM 0 HB3 TYR A 15 15.019 15.595 -21.256 1.00 0.00 H new ATOM 0 HD1 TYR A 15 12.449 17.192 -18.986 1.00 0.00 H new ATOM 0 HD2 TYR A 15 13.917 13.582 -20.826 1.00 0.00 H new ATOM 0 HE1 TYR A 15 10.705 15.875 -17.807 1.00 0.00 H new ATOM 0 HE2 TYR A 15 12.159 12.267 -19.659 1.00 0.00 H new ATOM 0 HH TYR A 15 10.572 13.050 -17.139 1.00 0.00 H new ATOM 219 N LYS A 16 16.943 15.996 -19.198 1.00 0.00 N ATOM 220 CA LYS A 16 17.620 15.097 -18.244 1.00 0.00 C ATOM 221 C LYS A 16 17.861 15.707 -16.850 1.00 0.00 C ATOM 222 O LYS A 16 17.395 15.094 -15.895 1.00 0.00 O ATOM 223 CB LYS A 16 18.888 14.481 -18.863 1.00 0.00 C ATOM 224 CG LYS A 16 18.544 13.518 -20.015 1.00 0.00 C ATOM 225 CD LYS A 16 19.779 12.912 -20.702 1.00 0.00 C ATOM 226 CE LYS A 16 20.564 11.974 -19.773 1.00 0.00 C ATOM 227 NZ LYS A 16 21.670 11.287 -20.489 1.00 0.00 N ATOM 0 H LYS A 16 17.369 15.990 -20.125 1.00 0.00 H new ATOM 0 HA LYS A 16 16.920 14.284 -18.051 1.00 0.00 H new ATOM 0 HB2 LYS A 16 19.536 15.275 -19.233 1.00 0.00 H new ATOM 0 HB3 LYS A 16 19.446 13.946 -18.095 1.00 0.00 H new ATOM 0 HG2 LYS A 16 17.921 12.711 -19.629 1.00 0.00 H new ATOM 0 HG3 LYS A 16 17.951 14.051 -20.758 1.00 0.00 H new ATOM 0 HD2 LYS A 16 19.465 12.361 -21.589 1.00 0.00 H new ATOM 0 HD3 LYS A 16 20.434 13.715 -21.041 1.00 0.00 H new ATOM 0 HE2 LYS A 16 20.971 12.546 -18.939 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.888 11.231 -19.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 22.176 10.663 -19.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 21.280 10.721 -21.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 22.329 11.995 -20.870 1.00 0.00 H new ATOM 241 N PRO A 17 18.505 16.879 -16.683 1.00 0.00 N ATOM 242 CA PRO A 17 18.628 17.502 -15.364 1.00 0.00 C ATOM 243 C PRO A 17 17.300 18.033 -14.798 1.00 0.00 C ATOM 244 O PRO A 17 17.068 17.841 -13.614 1.00 0.00 O ATOM 245 CB PRO A 17 19.661 18.621 -15.540 1.00 0.00 C ATOM 246 CG PRO A 17 19.526 19.000 -17.015 1.00 0.00 C ATOM 247 CD PRO A 17 19.222 17.660 -17.681 1.00 0.00 C ATOM 0 HA PRO A 17 18.939 16.762 -14.626 1.00 0.00 H new ATOM 0 HB2 PRO A 17 19.451 19.468 -14.887 1.00 0.00 H new ATOM 0 HB3 PRO A 17 20.668 18.278 -15.304 1.00 0.00 H new ATOM 0 HG2 PRO A 17 18.726 19.722 -17.176 1.00 0.00 H new ATOM 0 HG3 PRO A 17 20.441 19.447 -17.403 1.00 0.00 H new ATOM 0 HD2 PRO A 17 18.619 17.797 -18.579 1.00 0.00 H new ATOM 0 HD3 PRO A 17 20.140 17.157 -17.987 1.00 0.00 H new ATOM 255 N LYS A 18 16.389 18.639 -15.578 1.00 0.00 N ATOM 256 CA LYS A 18 15.067 19.068 -15.056 1.00 0.00 C ATOM 257 C LYS A 18 14.242 17.874 -14.552 1.00 0.00 C ATOM 258 O LYS A 18 13.515 18.005 -13.572 1.00 0.00 O ATOM 259 CB LYS A 18 14.300 19.890 -16.115 1.00 0.00 C ATOM 260 CG LYS A 18 14.356 21.419 -15.901 1.00 0.00 C ATOM 261 CD LYS A 18 13.354 21.948 -14.851 1.00 0.00 C ATOM 262 CE LYS A 18 13.296 23.488 -14.887 1.00 0.00 C ATOM 263 NZ LYS A 18 12.168 24.049 -14.098 1.00 0.00 N ATOM 0 H LYS A 18 16.536 18.845 -16.566 1.00 0.00 H new ATOM 0 HA LYS A 18 15.241 19.715 -14.196 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.705 19.658 -17.100 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.257 19.574 -16.117 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.365 21.695 -15.595 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.164 21.915 -16.852 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.364 21.536 -15.045 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.649 21.613 -13.857 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.234 23.890 -14.504 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.207 23.818 -15.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.002 25.036 -14.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.309 23.489 -14.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.402 24.015 -13.085 1.00 0.00 H new ATOM 277 N TYR A 19 14.386 16.716 -15.198 1.00 0.00 N ATOM 278 CA TYR A 19 13.808 15.438 -14.791 1.00 0.00 C ATOM 279 C TYR A 19 14.454 14.915 -13.511 1.00 0.00 C ATOM 280 O TYR A 19 13.782 14.775 -12.491 1.00 0.00 O ATOM 281 CB TYR A 19 13.982 14.422 -15.929 1.00 0.00 C ATOM 282 CG TYR A 19 13.364 13.063 -15.657 1.00 0.00 C ATOM 283 CD1 TYR A 19 12.016 12.961 -15.263 1.00 0.00 C ATOM 284 CD2 TYR A 19 14.152 11.899 -15.773 1.00 0.00 C ATOM 285 CE1 TYR A 19 11.465 11.705 -14.947 1.00 0.00 C ATOM 286 CE2 TYR A 19 13.601 10.642 -15.467 1.00 0.00 C ATOM 287 CZ TYR A 19 12.261 10.547 -15.042 1.00 0.00 C ATOM 288 OH TYR A 19 11.740 9.336 -14.720 1.00 0.00 O ATOM 0 H TYR A 19 14.933 16.642 -16.056 1.00 0.00 H new ATOM 0 HA TYR A 19 12.748 15.585 -14.585 1.00 0.00 H new ATOM 0 HB2 TYR A 19 13.541 14.833 -16.837 1.00 0.00 H new ATOM 0 HB3 TYR A 19 15.047 14.291 -16.123 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.404 13.849 -15.203 1.00 0.00 H new ATOM 0 HD2 TYR A 19 15.180 11.973 -16.097 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.435 11.629 -14.633 1.00 0.00 H new ATOM 0 HE2 TYR A 19 14.204 9.751 -15.558 1.00 0.00 H new ATOM 0 HH TYR A 19 12.422 8.643 -14.842 1.00 0.00 H new ATOM 298 N LEU A 20 15.762 14.654 -13.561 1.00 0.00 N ATOM 299 CA LEU A 20 16.517 14.141 -12.418 1.00 0.00 C ATOM 300 C LEU A 20 16.420 15.046 -11.201 1.00 0.00 C ATOM 301 O LEU A 20 16.345 14.519 -10.115 1.00 0.00 O ATOM 302 CB LEU A 20 18.002 13.953 -12.731 1.00 0.00 C ATOM 303 CG LEU A 20 18.392 12.541 -13.201 1.00 0.00 C ATOM 304 CD1 LEU A 20 17.974 12.237 -14.637 1.00 0.00 C ATOM 305 CD2 LEU A 20 19.907 12.357 -13.115 1.00 0.00 C ATOM 0 H LEU A 20 16.328 14.793 -14.398 1.00 0.00 H new ATOM 0 HA LEU A 20 16.059 13.176 -12.201 1.00 0.00 H new ATOM 0 HB2 LEU A 20 18.289 14.669 -13.501 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.580 14.196 -11.839 1.00 0.00 H new ATOM 0 HG LEU A 20 17.862 11.857 -12.539 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.282 11.225 -14.899 1.00 0.00 H new ATOM 0 HD12 LEU A 20 16.891 12.322 -14.726 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.450 12.947 -15.313 1.00 0.00 H new ATOM 0 HD21 LEU A 20 20.171 11.354 -13.450 1.00 0.00 H new ATOM 0 HD22 LEU A 20 20.400 13.093 -13.750 1.00 0.00 H new ATOM 0 HD23 LEU A 20 20.232 12.492 -12.083 1.00 0.00 H new ATOM 317 N GLN A 21 16.440 16.367 -11.318 1.00 0.00 N ATOM 318 CA GLN A 21 16.448 17.255 -10.168 1.00 0.00 C ATOM 319 C GLN A 21 15.115 17.178 -9.420 1.00 0.00 C ATOM 320 O GLN A 21 15.119 17.116 -8.191 1.00 0.00 O ATOM 321 CB GLN A 21 16.805 18.672 -10.653 1.00 0.00 C ATOM 322 CG GLN A 21 17.298 19.587 -9.536 1.00 0.00 C ATOM 323 CD GLN A 21 16.189 20.334 -8.804 1.00 0.00 C ATOM 324 OE1 GLN A 21 15.783 21.419 -9.185 1.00 0.00 O ATOM 325 NE2 GLN A 21 15.656 19.796 -7.730 1.00 0.00 N ATOM 0 H GLN A 21 16.451 16.852 -12.215 1.00 0.00 H new ATOM 0 HA GLN A 21 17.204 16.951 -9.444 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.574 18.602 -11.422 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.928 19.120 -11.120 1.00 0.00 H new ATOM 0 HG2 GLN A 21 17.857 18.992 -8.814 1.00 0.00 H new ATOM 0 HG3 GLN A 21 17.993 20.313 -9.957 1.00 0.00 H new ATOM 0 HE21 GLN A 21 15.984 18.889 -7.398 1.00 0.00 H new ATOM 0 HE22 GLN A 21 14.915 20.285 -7.229 1.00 0.00 H new ATOM 334 N LEU A 22 13.987 17.106 -10.145 1.00 0.00 N ATOM 335 CA LEU A 22 12.694 16.749 -9.560 1.00 0.00 C ATOM 336 C LEU A 22 12.768 15.354 -8.911 1.00 0.00 C ATOM 337 O LEU A 22 12.439 15.210 -7.733 1.00 0.00 O ATOM 338 CB LEU A 22 11.600 16.823 -10.648 1.00 0.00 C ATOM 339 CG LEU A 22 10.167 16.664 -10.097 1.00 0.00 C ATOM 340 CD1 LEU A 22 9.623 17.972 -9.523 1.00 0.00 C ATOM 341 CD2 LEU A 22 9.204 16.247 -11.208 1.00 0.00 C ATOM 0 H LEU A 22 13.950 17.293 -11.147 1.00 0.00 H new ATOM 0 HA LEU A 22 12.436 17.457 -8.772 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.677 17.780 -11.164 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.783 16.045 -11.389 1.00 0.00 H new ATOM 0 HG LEU A 22 10.231 15.907 -9.315 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.612 17.812 -9.147 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.265 18.306 -8.708 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.603 18.732 -10.304 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.200 16.141 -10.798 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.198 17.007 -11.989 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.526 15.295 -11.631 1.00 0.00 H new ATOM 353 N LYS A 23 13.217 14.340 -9.667 1.00 0.00 N ATOM 354 CA LYS A 23 13.243 12.940 -9.254 1.00 0.00 C ATOM 355 C LYS A 23 14.109 12.717 -8.022 1.00 0.00 C ATOM 356 O LYS A 23 13.593 12.288 -6.997 1.00 0.00 O ATOM 357 CB LYS A 23 13.756 12.080 -10.417 1.00 0.00 C ATOM 358 CG LYS A 23 12.671 11.259 -11.115 1.00 0.00 C ATOM 359 CD LYS A 23 13.151 9.877 -11.576 1.00 0.00 C ATOM 360 CE LYS A 23 13.585 9.125 -10.319 1.00 0.00 C ATOM 361 NZ LYS A 23 13.562 7.654 -10.421 1.00 0.00 N ATOM 0 H LYS A 23 13.581 14.482 -10.609 1.00 0.00 H new ATOM 0 HA LYS A 23 12.226 12.650 -8.988 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.234 12.729 -11.151 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.524 11.403 -10.043 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.828 11.134 -10.436 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.305 11.815 -11.979 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.354 9.342 -12.092 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.980 9.969 -12.278 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.596 9.438 -10.060 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.937 9.425 -9.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.450 7.242 -9.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.766 7.360 -11.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.454 7.321 -10.840 1.00 0.00 H new ATOM 375 N GLU A 24 15.399 13.025 -8.139 1.00 0.00 N ATOM 376 CA GLU A 24 16.397 12.948 -7.067 1.00 0.00 C ATOM 377 C GLU A 24 15.882 13.518 -5.745 1.00 0.00 C ATOM 378 O GLU A 24 16.011 12.859 -4.720 1.00 0.00 O ATOM 379 CB GLU A 24 17.679 13.670 -7.524 1.00 0.00 C ATOM 380 CG GLU A 24 18.856 13.600 -6.533 1.00 0.00 C ATOM 381 CD GLU A 24 18.995 14.890 -5.711 1.00 0.00 C ATOM 382 OE1 GLU A 24 19.151 15.984 -6.308 1.00 0.00 O ATOM 383 OE2 GLU A 24 18.933 14.862 -4.462 1.00 0.00 O ATOM 0 H GLU A 24 15.797 13.349 -9.020 1.00 0.00 H new ATOM 0 HA GLU A 24 16.615 11.897 -6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.999 13.243 -8.475 1.00 0.00 H new ATOM 0 HB3 GLU A 24 17.441 14.718 -7.709 1.00 0.00 H new ATOM 0 HG2 GLU A 24 18.713 12.755 -5.860 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.781 13.418 -7.081 1.00 0.00 H new ATOM 390 N LYS A 25 15.264 14.707 -5.753 1.00 0.00 N ATOM 391 CA LYS A 25 14.735 15.326 -4.534 1.00 0.00 C ATOM 392 C LYS A 25 13.563 14.563 -3.924 1.00 0.00 C ATOM 393 O LYS A 25 13.534 14.362 -2.718 1.00 0.00 O ATOM 394 CB LYS A 25 14.379 16.798 -4.810 1.00 0.00 C ATOM 395 CG LYS A 25 14.777 17.709 -3.633 1.00 0.00 C ATOM 396 CD LYS A 25 16.220 18.261 -3.673 1.00 0.00 C ATOM 397 CE LYS A 25 17.177 17.304 -4.384 1.00 0.00 C ATOM 398 NZ LYS A 25 18.613 17.561 -4.160 1.00 0.00 N ATOM 0 H LYS A 25 15.118 15.261 -6.597 1.00 0.00 H new ATOM 0 HA LYS A 25 15.522 15.284 -3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.885 17.131 -5.716 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.308 16.886 -4.993 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.086 18.551 -3.599 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.646 17.152 -2.705 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.226 19.225 -4.182 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.570 18.435 -2.656 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.953 16.287 -4.062 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.980 17.350 -5.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.163 17.168 -4.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.777 18.586 -4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.912 17.110 -3.272 1.00 0.00 H new ATOM 412 N LEU A 26 12.614 14.129 -4.744 1.00 0.00 N ATOM 413 CA LEU A 26 11.468 13.318 -4.352 1.00 0.00 C ATOM 414 C LEU A 26 11.892 11.992 -3.706 1.00 0.00 C ATOM 415 O LEU A 26 11.457 11.640 -2.614 1.00 0.00 O ATOM 416 CB LEU A 26 10.642 13.087 -5.625 1.00 0.00 C ATOM 417 CG LEU A 26 9.393 13.949 -5.799 1.00 0.00 C ATOM 418 CD1 LEU A 26 8.340 13.675 -4.726 1.00 0.00 C ATOM 419 CD2 LEU A 26 9.648 15.457 -5.838 1.00 0.00 C ATOM 0 H LEU A 26 12.622 14.341 -5.742 1.00 0.00 H new ATOM 0 HA LEU A 26 10.880 13.832 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.291 13.250 -6.486 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.339 12.040 -5.648 1.00 0.00 H new ATOM 0 HG LEU A 26 9.026 13.648 -6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.473 14.313 -4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.036 12.629 -4.774 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.759 13.886 -3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.702 15.983 -5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.116 15.771 -4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.308 15.693 -6.673 1.00 0.00 H new ATOM 431 N GLU A 27 12.761 11.261 -4.390 1.00 0.00 N ATOM 432 CA GLU A 27 13.428 10.064 -3.879 1.00 0.00 C ATOM 433 C GLU A 27 14.328 10.286 -2.659 1.00 0.00 C ATOM 434 O GLU A 27 14.396 9.409 -1.810 1.00 0.00 O ATOM 435 CB GLU A 27 14.235 9.457 -5.032 1.00 0.00 C ATOM 436 CG GLU A 27 13.433 8.347 -5.712 1.00 0.00 C ATOM 437 CD GLU A 27 13.831 8.091 -7.174 1.00 0.00 C ATOM 438 OE1 GLU A 27 14.755 8.733 -7.721 1.00 0.00 O ATOM 439 OE2 GLU A 27 13.159 7.257 -7.822 1.00 0.00 O ATOM 0 H GLU A 27 13.032 11.489 -5.346 1.00 0.00 H new ATOM 0 HA GLU A 27 12.649 9.392 -3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.485 10.231 -5.757 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.176 9.057 -4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.558 7.424 -5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.374 8.603 -5.674 1.00 0.00 H new ATOM 446 N HIS A 28 14.981 11.437 -2.508 1.00 0.00 N ATOM 447 CA HIS A 28 15.609 11.828 -1.243 1.00 0.00 C ATOM 448 C HIS A 28 14.573 11.990 -0.120 1.00 0.00 C ATOM 449 O HIS A 28 14.827 11.578 1.014 1.00 0.00 O ATOM 450 CB HIS A 28 16.408 13.125 -1.446 1.00 0.00 C ATOM 451 CG HIS A 28 17.039 13.729 -0.210 1.00 0.00 C ATOM 452 ND1 HIS A 28 17.146 13.165 1.041 1.00 0.00 N ATOM 453 CD2 HIS A 28 17.510 15.008 -0.116 1.00 0.00 C ATOM 454 CE1 HIS A 28 17.690 14.079 1.863 1.00 0.00 C ATOM 455 NE2 HIS A 28 17.940 15.217 1.198 1.00 0.00 N ATOM 0 H HIS A 28 15.091 12.124 -3.254 1.00 0.00 H new ATOM 0 HA HIS A 28 16.288 11.033 -0.935 1.00 0.00 H new ATOM 0 HB2 HIS A 28 17.198 12.929 -2.171 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.745 13.868 -1.889 1.00 0.00 H new ATOM 0 HD1 HIS A 28 16.862 12.220 1.299 1.00 0.00 H new ATOM 0 HD2 HIS A 28 17.544 15.732 -0.917 1.00 0.00 H new ATOM 0 HE1 HIS A 28 17.897 13.920 2.911 1.00 0.00 H new ATOM 463 N GLU A 29 13.431 12.609 -0.425 1.00 0.00 N ATOM 464 CA GLU A 29 12.375 12.950 0.539 1.00 0.00 C ATOM 465 C GLU A 29 11.811 11.697 1.219 1.00 0.00 C ATOM 466 O GLU A 29 11.526 11.680 2.418 1.00 0.00 O ATOM 467 CB GLU A 29 11.226 13.662 -0.200 1.00 0.00 C ATOM 468 CG GLU A 29 10.491 14.710 0.634 1.00 0.00 C ATOM 469 CD GLU A 29 11.313 15.944 1.033 1.00 0.00 C ATOM 470 OE1 GLU A 29 11.456 16.881 0.223 1.00 0.00 O ATOM 471 OE2 GLU A 29 11.592 16.033 2.252 1.00 0.00 O ATOM 0 H GLU A 29 13.206 12.897 -1.377 1.00 0.00 H new ATOM 0 HA GLU A 29 12.810 13.596 1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.627 14.142 -1.093 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.508 12.914 -0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.617 15.044 0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.124 14.232 1.542 1.00 0.00 H new ATOM 478 N PHE A 30 11.601 10.659 0.405 1.00 0.00 N ATOM 479 CA PHE A 30 11.099 9.344 0.809 1.00 0.00 C ATOM 480 C PHE A 30 11.427 8.252 -0.236 1.00 0.00 C ATOM 481 O PHE A 30 10.586 7.935 -1.084 1.00 0.00 O ATOM 482 CB PHE A 30 9.595 9.434 1.142 1.00 0.00 C ATOM 483 CG PHE A 30 8.820 10.573 0.498 1.00 0.00 C ATOM 484 CD1 PHE A 30 8.670 10.636 -0.898 1.00 0.00 C ATOM 485 CD2 PHE A 30 8.328 11.622 1.296 1.00 0.00 C ATOM 486 CE1 PHE A 30 8.034 11.738 -1.493 1.00 0.00 C ATOM 487 CE2 PHE A 30 7.697 12.723 0.696 1.00 0.00 C ATOM 488 CZ PHE A 30 7.544 12.784 -0.697 1.00 0.00 C ATOM 0 H PHE A 30 11.784 10.715 -0.597 1.00 0.00 H new ATOM 0 HA PHE A 30 11.617 9.035 1.717 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.125 8.495 0.850 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.490 9.520 2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.045 9.834 -1.516 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.436 11.580 2.370 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.922 11.780 -2.566 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.326 13.529 1.312 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.052 13.630 -1.154 1.00 0.00 H new ATOM 498 N PRO A 31 12.622 7.630 -0.190 1.00 0.00 N ATOM 499 CA PRO A 31 12.998 6.587 -1.146 1.00 0.00 C ATOM 500 C PRO A 31 12.247 5.286 -0.874 1.00 0.00 C ATOM 501 O PRO A 31 12.111 4.869 0.276 1.00 0.00 O ATOM 502 CB PRO A 31 14.500 6.368 -0.977 1.00 0.00 C ATOM 503 CG PRO A 31 14.789 6.852 0.446 1.00 0.00 C ATOM 504 CD PRO A 31 13.706 7.890 0.747 1.00 0.00 C ATOM 0 HA PRO A 31 12.745 6.892 -2.161 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.767 5.319 -1.103 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.071 6.933 -1.714 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.752 6.027 1.157 1.00 0.00 H new ATOM 0 HG3 PRO A 31 15.785 7.290 0.518 1.00 0.00 H new ATOM 0 HD2 PRO A 31 13.359 7.803 1.777 1.00 0.00 H new ATOM 0 HD3 PRO A 31 14.092 8.902 0.625 1.00 0.00 H new ATOM 512 N GLY A 32 11.777 4.624 -1.931 1.00 0.00 N ATOM 513 CA GLY A 32 11.119 3.311 -1.883 1.00 0.00 C ATOM 514 C GLY A 32 9.777 3.237 -1.146 1.00 0.00 C ATOM 515 O GLY A 32 9.125 2.195 -1.152 1.00 0.00 O ATOM 0 H GLY A 32 11.844 4.997 -2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 32 10.963 2.971 -2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.804 2.605 -1.414 1.00 0.00 H new ATOM 519 N CYS A 33 9.315 4.331 -0.534 1.00 0.00 N ATOM 520 CA CYS A 33 7.895 4.587 -0.362 1.00 0.00 C ATOM 521 C CYS A 33 7.273 5.114 -1.668 1.00 0.00 C ATOM 522 O CYS A 33 6.054 5.082 -1.831 1.00 0.00 O ATOM 523 CB CYS A 33 7.662 5.559 0.798 1.00 0.00 C ATOM 524 SG CYS A 33 8.673 5.167 2.256 1.00 0.00 S ATOM 0 H CYS A 33 9.918 5.057 -0.148 1.00 0.00 H new ATOM 0 HA CYS A 33 7.401 3.647 -0.117 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.887 6.573 0.467 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.608 5.540 1.076 1.00 0.00 H new ATOM 0 HG CYS A 33 8.428 6.029 3.198 1.00 0.00 H new ATOM 530 N LEU A 34 8.112 5.602 -2.587 1.00 0.00 N ATOM 531 CA LEU A 34 7.811 6.092 -3.925 1.00 0.00 C ATOM 532 C LEU A 34 8.609 5.313 -4.972 1.00 0.00 C ATOM 533 O LEU A 34 9.777 4.977 -4.768 1.00 0.00 O ATOM 534 CB LEU A 34 8.294 7.549 -4.054 1.00 0.00 C ATOM 535 CG LEU A 34 7.358 8.717 -3.753 1.00 0.00 C ATOM 536 CD1 LEU A 34 6.487 9.042 -4.956 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.481 8.525 -2.527 1.00 0.00 C ATOM 0 H LEU A 34 9.110 5.668 -2.389 1.00 0.00 H new ATOM 0 HA LEU A 34 6.737 5.989 -4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.160 7.657 -3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.648 7.679 -5.077 1.00 0.00 H new ATOM 0 HG LEU A 34 8.021 9.553 -3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.830 9.877 -4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.120 9.311 -5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.886 8.171 -5.216 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.850 9.403 -2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.853 7.644 -2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.110 8.390 -1.647 1.00 0.00 H new ATOM 549 N ASP A 35 8.000 5.272 -6.147 1.00 0.00 N ATOM 550 CA ASP A 35 8.580 5.105 -7.469 1.00 0.00 C ATOM 551 C ASP A 35 8.289 6.388 -8.256 1.00 0.00 C ATOM 552 O ASP A 35 7.176 6.909 -8.239 1.00 0.00 O ATOM 553 CB ASP A 35 7.861 3.923 -8.113 1.00 0.00 C ATOM 554 CG ASP A 35 8.060 3.715 -9.621 1.00 0.00 C ATOM 555 OD1 ASP A 35 9.095 4.131 -10.185 1.00 0.00 O ATOM 556 OD2 ASP A 35 7.094 3.236 -10.269 1.00 0.00 O ATOM 0 H ASP A 35 6.986 5.364 -6.203 1.00 0.00 H new ATOM 0 HA ASP A 35 9.655 4.925 -7.443 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.181 3.015 -7.602 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.793 4.035 -7.926 1.00 0.00 H new ATOM 561 N ILE A 36 9.259 6.870 -9.013 1.00 0.00 N ATOM 562 CA ILE A 36 9.088 7.885 -10.042 1.00 0.00 C ATOM 563 C ILE A 36 9.791 7.407 -11.313 1.00 0.00 C ATOM 564 O ILE A 36 11.013 7.294 -11.423 1.00 0.00 O ATOM 565 CB ILE A 36 9.631 9.261 -9.650 1.00 0.00 C ATOM 566 CG1 ILE A 36 9.308 9.770 -8.229 1.00 0.00 C ATOM 567 CG2 ILE A 36 9.164 10.300 -10.690 1.00 0.00 C ATOM 568 CD1 ILE A 36 10.530 9.588 -7.326 1.00 0.00 C ATOM 0 H ILE A 36 10.225 6.554 -8.926 1.00 0.00 H new ATOM 0 HA ILE A 36 8.016 8.012 -10.194 1.00 0.00 H new ATOM 0 HB ILE A 36 10.713 9.131 -9.638 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.024 10.822 -8.265 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.458 9.224 -7.821 1.00 0.00 H new ATOM 0 HG21 ILE A 36 9.546 11.284 -10.418 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.540 10.023 -11.675 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.075 10.328 -10.713 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.299 9.948 -6.324 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.794 8.532 -7.280 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.369 10.154 -7.730 1.00 0.00 H new ATOM 580 N CYS A 37 8.958 7.195 -12.304 1.00 0.00 N ATOM 581 CA CYS A 37 9.234 6.784 -13.672 1.00 0.00 C ATOM 582 C CYS A 37 9.035 7.952 -14.645 1.00 0.00 C ATOM 583 O CYS A 37 8.810 9.098 -14.254 1.00 0.00 O ATOM 584 CB CYS A 37 8.334 5.576 -13.970 1.00 0.00 C ATOM 585 SG CYS A 37 9.164 4.047 -13.456 1.00 0.00 S ATOM 0 H CYS A 37 7.956 7.319 -12.161 1.00 0.00 H new ATOM 0 HA CYS A 37 10.275 6.488 -13.800 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.385 5.680 -13.444 1.00 0.00 H new ATOM 0 HB3 CYS A 37 8.105 5.536 -15.035 1.00 0.00 H new ATOM 0 HG CYS A 37 9.192 3.984 -12.158 1.00 0.00 H new ATOM 591 N GLY A 38 9.160 7.672 -15.934 1.00 0.00 N ATOM 592 CA GLY A 38 8.831 8.584 -17.027 1.00 0.00 C ATOM 593 C GLY A 38 7.955 7.893 -18.068 1.00 0.00 C ATOM 594 O GLY A 38 7.537 6.752 -17.879 1.00 0.00 O ATOM 0 H GLY A 38 9.506 6.771 -16.263 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.313 9.458 -16.633 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.748 8.941 -17.496 1.00 0.00 H new ATOM 598 N GLU A 39 7.662 8.606 -19.146 1.00 0.00 N ATOM 599 CA GLU A 39 7.015 8.161 -20.364 1.00 0.00 C ATOM 600 C GLU A 39 7.455 9.180 -21.440 1.00 0.00 C ATOM 601 O GLU A 39 7.765 10.337 -21.141 1.00 0.00 O ATOM 602 CB GLU A 39 5.487 8.136 -20.146 1.00 0.00 C ATOM 603 CG GLU A 39 4.752 6.986 -20.840 1.00 0.00 C ATOM 604 CD GLU A 39 4.955 7.051 -22.349 1.00 0.00 C ATOM 605 OE1 GLU A 39 4.191 7.772 -23.023 1.00 0.00 O ATOM 606 OE2 GLU A 39 5.962 6.473 -22.807 1.00 0.00 O ATOM 0 H GLU A 39 7.893 9.598 -19.190 1.00 0.00 H new ATOM 0 HA GLU A 39 7.290 7.151 -20.668 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.289 8.080 -19.076 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.070 9.079 -20.499 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.117 6.032 -20.460 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.688 7.035 -20.609 1.00 0.00 H new ATOM 613 N GLY A 40 7.527 8.756 -22.689 1.00 0.00 N ATOM 614 CA GLY A 40 7.969 9.536 -23.850 1.00 0.00 C ATOM 615 C GLY A 40 7.215 9.155 -25.124 1.00 0.00 C ATOM 616 O GLY A 40 7.795 8.641 -26.081 1.00 0.00 O ATOM 0 H GLY A 40 7.265 7.804 -22.944 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.825 10.597 -23.648 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.037 9.383 -24.003 1.00 0.00 H new ATOM 620 N THR A 41 5.909 9.417 -25.111 1.00 0.00 N ATOM 621 CA THR A 41 4.923 9.067 -26.139 1.00 0.00 C ATOM 622 C THR A 41 5.290 9.609 -27.539 1.00 0.00 C ATOM 623 O THR A 41 5.638 10.785 -27.670 1.00 0.00 O ATOM 624 CB THR A 41 3.536 9.612 -25.761 1.00 0.00 C ATOM 625 OG1 THR A 41 3.342 9.761 -24.372 1.00 0.00 O ATOM 626 CG2 THR A 41 2.398 8.735 -26.275 1.00 0.00 C ATOM 0 H THR A 41 5.480 9.913 -24.330 1.00 0.00 H new ATOM 0 HA THR A 41 4.914 7.978 -26.186 1.00 0.00 H new ATOM 0 HB THR A 41 3.514 10.591 -26.239 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.394 8.884 -23.938 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.443 9.168 -25.979 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.448 8.675 -27.362 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.490 7.735 -25.852 1.00 0.00 H new ATOM 634 N PRO A 42 5.208 8.796 -28.610 1.00 0.00 N ATOM 635 CA PRO A 42 5.594 9.192 -29.967 1.00 0.00 C ATOM 636 C PRO A 42 4.476 9.928 -30.736 1.00 0.00 C ATOM 637 O PRO A 42 3.329 9.991 -30.298 1.00 0.00 O ATOM 638 CB PRO A 42 5.965 7.866 -30.643 1.00 0.00 C ATOM 639 CG PRO A 42 4.992 6.873 -30.009 1.00 0.00 C ATOM 640 CD PRO A 42 4.862 7.384 -28.574 1.00 0.00 C ATOM 0 HA PRO A 42 6.411 9.913 -29.953 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.842 7.916 -31.725 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.003 7.592 -30.452 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.031 6.866 -30.523 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.378 5.854 -30.041 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.848 7.242 -28.201 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.527 6.838 -27.905 1.00 0.00 H new ATOM 648 N GLN A 43 4.817 10.440 -31.928 1.00 0.00 N ATOM 649 CA GLN A 43 3.955 11.080 -32.944 1.00 0.00 C ATOM 650 C GLN A 43 3.293 12.419 -32.544 1.00 0.00 C ATOM 651 O GLN A 43 3.057 13.254 -33.417 1.00 0.00 O ATOM 652 CB GLN A 43 2.944 10.043 -33.478 1.00 0.00 C ATOM 653 CG GLN A 43 2.228 10.477 -34.768 1.00 0.00 C ATOM 654 CD GLN A 43 1.368 9.352 -35.338 1.00 0.00 C ATOM 655 OE1 GLN A 43 0.532 8.770 -34.673 1.00 0.00 O ATOM 656 NE2 GLN A 43 1.534 8.978 -36.589 1.00 0.00 N ATOM 0 H GLN A 43 5.789 10.417 -32.237 1.00 0.00 H new ATOM 0 HA GLN A 43 4.622 11.399 -33.745 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.465 9.104 -33.662 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.198 9.848 -32.708 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.603 11.346 -34.563 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.966 10.783 -35.509 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.227 9.446 -37.173 1.00 0.00 H new ATOM 0 HE22 GLN A 43 0.970 8.220 -36.974 1.00 0.00 H new ATOM 665 N VAL A 44 3.036 12.657 -31.256 1.00 0.00 N ATOM 666 CA VAL A 44 2.613 13.955 -30.706 1.00 0.00 C ATOM 667 C VAL A 44 3.763 14.975 -30.721 1.00 0.00 C ATOM 668 O VAL A 44 4.928 14.615 -30.573 1.00 0.00 O ATOM 669 CB VAL A 44 2.045 13.749 -29.283 1.00 0.00 C ATOM 670 CG1 VAL A 44 3.107 13.364 -28.245 1.00 0.00 C ATOM 671 CG2 VAL A 44 1.275 14.977 -28.779 1.00 0.00 C ATOM 0 H VAL A 44 3.118 11.933 -30.542 1.00 0.00 H new ATOM 0 HA VAL A 44 1.827 14.369 -31.338 1.00 0.00 H new ATOM 0 HB VAL A 44 1.358 12.909 -29.387 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.634 13.236 -27.271 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.584 12.430 -28.542 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.858 14.152 -28.183 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.896 14.782 -27.776 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.941 15.839 -28.754 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.440 15.183 -29.449 1.00 0.00 H new ATOM 681 N THR A 45 3.443 16.266 -30.856 1.00 0.00 N ATOM 682 CA THR A 45 4.418 17.375 -30.824 1.00 0.00 C ATOM 683 C THR A 45 5.057 17.567 -29.443 1.00 0.00 C ATOM 684 O THR A 45 6.249 17.849 -29.352 1.00 0.00 O ATOM 685 CB THR A 45 3.751 18.691 -31.261 1.00 0.00 C ATOM 686 OG1 THR A 45 2.975 18.480 -32.419 1.00 0.00 O ATOM 687 CG2 THR A 45 4.759 19.788 -31.602 1.00 0.00 C ATOM 0 H THR A 45 2.483 16.581 -30.993 1.00 0.00 H new ATOM 0 HA THR A 45 5.212 17.106 -31.521 1.00 0.00 H new ATOM 0 HB THR A 45 3.146 19.011 -30.413 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.553 19.323 -32.688 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.227 20.690 -31.903 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.372 20.003 -30.727 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.398 19.454 -32.420 1.00 0.00 H new ATOM 695 N GLY A 46 4.277 17.419 -28.366 1.00 0.00 N ATOM 696 CA GLY A 46 4.780 17.398 -26.996 1.00 0.00 C ATOM 697 C GLY A 46 3.761 17.795 -25.929 1.00 0.00 C ATOM 698 O GLY A 46 2.705 18.357 -26.214 1.00 0.00 O ATOM 0 H GLY A 46 3.265 17.309 -28.427 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.144 16.395 -26.774 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.635 18.070 -26.928 1.00 0.00 H new ATOM 702 N PHE A 47 4.116 17.495 -24.683 1.00 0.00 N ATOM 703 CA PHE A 47 3.409 17.764 -23.421 1.00 0.00 C ATOM 704 C PHE A 47 4.329 17.378 -22.239 1.00 0.00 C ATOM 705 O PHE A 47 5.309 16.682 -22.479 1.00 0.00 O ATOM 706 CB PHE A 47 2.040 17.045 -23.409 1.00 0.00 C ATOM 707 CG PHE A 47 1.916 15.609 -23.921 1.00 0.00 C ATOM 708 CD1 PHE A 47 2.958 14.663 -23.819 1.00 0.00 C ATOM 709 CD2 PHE A 47 0.697 15.209 -24.507 1.00 0.00 C ATOM 710 CE1 PHE A 47 2.781 13.356 -24.309 1.00 0.00 C ATOM 711 CE2 PHE A 47 0.506 13.890 -24.956 1.00 0.00 C ATOM 712 CZ PHE A 47 1.550 12.959 -24.850 1.00 0.00 C ATOM 0 H PHE A 47 4.995 17.008 -24.507 1.00 0.00 H new ATOM 0 HA PHE A 47 3.184 18.826 -23.319 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.681 17.052 -22.380 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.350 17.656 -23.992 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.896 14.944 -23.363 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.103 15.927 -24.613 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.600 12.653 -24.268 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.442 13.595 -25.381 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.406 11.942 -25.183 1.00 0.00 H new ATOM 722 N PHE A 48 4.068 17.824 -21.000 1.00 0.00 N ATOM 723 CA PHE A 48 4.874 17.526 -19.788 1.00 0.00 C ATOM 724 C PHE A 48 3.911 17.205 -18.639 1.00 0.00 C ATOM 725 O PHE A 48 3.361 18.120 -18.023 1.00 0.00 O ATOM 726 CB PHE A 48 5.826 18.688 -19.400 1.00 0.00 C ATOM 727 CG PHE A 48 6.950 18.367 -18.412 1.00 0.00 C ATOM 728 CD1 PHE A 48 6.661 17.974 -17.088 1.00 0.00 C ATOM 729 CD2 PHE A 48 8.299 18.565 -18.770 1.00 0.00 C ATOM 730 CE1 PHE A 48 7.690 17.770 -16.151 1.00 0.00 C ATOM 731 CE2 PHE A 48 9.331 18.363 -17.837 1.00 0.00 C ATOM 732 CZ PHE A 48 9.030 17.961 -16.527 1.00 0.00 C ATOM 0 H PHE A 48 3.266 18.422 -20.799 1.00 0.00 H new ATOM 0 HA PHE A 48 5.517 16.672 -20.000 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.278 19.074 -20.313 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.224 19.492 -18.978 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.634 17.828 -16.789 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.543 18.876 -19.775 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.450 17.467 -15.143 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.359 18.518 -18.130 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.823 17.799 -15.812 1.00 0.00 H new ATOM 742 N GLU A 49 3.613 15.931 -18.391 1.00 0.00 N ATOM 743 CA GLU A 49 2.410 15.537 -17.671 1.00 0.00 C ATOM 744 C GLU A 49 2.733 14.631 -16.468 1.00 0.00 C ATOM 745 O GLU A 49 3.194 13.501 -16.649 1.00 0.00 O ATOM 746 CB GLU A 49 1.488 14.869 -18.695 1.00 0.00 C ATOM 747 CG GLU A 49 1.270 15.635 -20.017 1.00 0.00 C ATOM 748 CD GLU A 49 0.610 17.009 -19.829 1.00 0.00 C ATOM 749 OE1 GLU A 49 -0.603 17.023 -19.515 1.00 0.00 O ATOM 750 OE2 GLU A 49 1.213 18.071 -20.111 1.00 0.00 O ATOM 0 H GLU A 49 4.198 15.148 -18.683 1.00 0.00 H new ATOM 0 HA GLU A 49 1.912 16.402 -17.233 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.894 13.886 -18.932 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.516 14.708 -18.228 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.231 15.768 -20.513 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.650 15.031 -20.679 1.00 0.00 H new ATOM 757 N VAL A 50 2.535 15.117 -15.230 1.00 0.00 N ATOM 758 CA VAL A 50 3.038 14.441 -14.007 1.00 0.00 C ATOM 759 C VAL A 50 1.899 13.768 -13.259 1.00 0.00 C ATOM 760 O VAL A 50 0.934 14.434 -12.878 1.00 0.00 O ATOM 761 CB VAL A 50 3.760 15.389 -13.033 1.00 0.00 C ATOM 762 CG1 VAL A 50 4.386 14.614 -11.866 1.00 0.00 C ATOM 763 CG2 VAL A 50 4.883 16.189 -13.704 1.00 0.00 C ATOM 0 H VAL A 50 2.027 15.982 -15.043 1.00 0.00 H new ATOM 0 HA VAL A 50 3.762 13.706 -14.360 1.00 0.00 H new ATOM 0 HB VAL A 50 2.991 16.075 -12.678 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.889 15.310 -11.195 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.605 14.084 -11.320 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.109 13.896 -12.252 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.356 16.840 -12.968 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.625 15.503 -14.111 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.467 16.794 -14.510 1.00 0.00 H new ATOM 773 N THR A 51 2.012 12.462 -13.034 1.00 0.00 N ATOM 774 CA THR A 51 0.936 11.578 -12.618 1.00 0.00 C ATOM 775 C THR A 51 1.353 10.722 -11.418 1.00 0.00 C ATOM 776 O THR A 51 2.349 10.014 -11.511 1.00 0.00 O ATOM 777 CB THR A 51 0.618 10.642 -13.797 1.00 0.00 C ATOM 778 OG1 THR A 51 1.738 10.342 -14.614 1.00 0.00 O ATOM 779 CG2 THR A 51 -0.435 11.219 -14.734 1.00 0.00 C ATOM 0 H THR A 51 2.900 11.972 -13.143 1.00 0.00 H new ATOM 0 HA THR A 51 0.072 12.177 -12.330 1.00 0.00 H new ATOM 0 HB THR A 51 0.263 9.738 -13.302 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.463 9.743 -15.339 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.621 10.518 -15.548 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.360 11.388 -14.182 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.079 12.164 -15.144 1.00 0.00 H new ATOM 787 N VAL A 52 0.604 10.720 -10.308 1.00 0.00 N ATOM 788 CA VAL A 52 0.851 9.916 -9.089 1.00 0.00 C ATOM 789 C VAL A 52 -0.327 8.970 -8.856 1.00 0.00 C ATOM 790 O VAL A 52 -1.473 9.405 -8.832 1.00 0.00 O ATOM 791 CB VAL A 52 1.154 10.821 -7.873 1.00 0.00 C ATOM 792 CG1 VAL A 52 0.098 11.901 -7.609 1.00 0.00 C ATOM 793 CG2 VAL A 52 1.310 10.020 -6.577 1.00 0.00 C ATOM 0 H VAL A 52 -0.229 11.302 -10.224 1.00 0.00 H new ATOM 0 HA VAL A 52 1.742 9.304 -9.228 1.00 0.00 H new ATOM 0 HB VAL A 52 2.091 11.305 -8.150 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.389 12.490 -6.739 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.019 12.553 -8.479 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.866 11.429 -7.421 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.522 10.700 -5.752 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.388 9.477 -6.372 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.132 9.312 -6.684 1.00 0.00 H new ATOM 803 N ALA A 53 -0.085 7.659 -8.813 1.00 0.00 N ATOM 804 CA ALA A 53 -1.106 6.613 -8.997 1.00 0.00 C ATOM 805 C ALA A 53 -2.023 6.868 -10.227 1.00 0.00 C ATOM 806 O ALA A 53 -3.226 6.614 -10.194 1.00 0.00 O ATOM 807 CB ALA A 53 -1.874 6.419 -7.678 1.00 0.00 C ATOM 0 H ALA A 53 0.847 7.280 -8.646 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.609 5.673 -9.237 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.631 5.646 -7.808 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.180 6.118 -6.893 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.356 7.355 -7.397 1.00 0.00 H new ATOM 813 N GLY A 54 -1.472 7.459 -11.300 1.00 0.00 N ATOM 814 CA GLY A 54 -2.202 7.907 -12.498 1.00 0.00 C ATOM 815 C GLY A 54 -2.964 9.234 -12.346 1.00 0.00 C ATOM 816 O GLY A 54 -3.448 9.779 -13.334 1.00 0.00 O ATOM 0 H GLY A 54 -0.471 7.645 -11.359 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.492 8.007 -13.319 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.912 7.130 -12.782 1.00 0.00 H new ATOM 820 N LYS A 55 -3.059 9.792 -11.134 1.00 0.00 N ATOM 821 CA LYS A 55 -3.650 11.109 -10.866 1.00 0.00 C ATOM 822 C LYS A 55 -2.720 12.201 -11.381 1.00 0.00 C ATOM 823 O LYS A 55 -1.696 12.486 -10.762 1.00 0.00 O ATOM 824 CB LYS A 55 -3.981 11.305 -9.382 1.00 0.00 C ATOM 825 CG LYS A 55 -4.803 10.180 -8.730 1.00 0.00 C ATOM 826 CD LYS A 55 -6.177 9.991 -9.387 1.00 0.00 C ATOM 827 CE LYS A 55 -6.970 8.936 -8.610 1.00 0.00 C ATOM 828 NZ LYS A 55 -8.332 8.757 -9.171 1.00 0.00 N ATOM 0 H LYS A 55 -2.719 9.329 -10.291 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.599 11.172 -11.399 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.047 11.414 -8.831 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.528 12.241 -9.271 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.245 9.246 -8.791 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.939 10.402 -7.671 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.721 10.936 -9.398 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.057 9.680 -10.425 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.437 7.986 -8.637 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.042 9.232 -7.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.842 8.036 -8.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.849 9.658 -9.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.262 8.451 -10.163 1.00 0.00 H new ATOM 842 N LEU A 56 -3.042 12.765 -12.542 1.00 0.00 N ATOM 843 CA LEU A 56 -2.384 13.958 -13.066 1.00 0.00 C ATOM 844 C LEU A 56 -2.518 15.123 -12.087 1.00 0.00 C ATOM 845 O LEU A 56 -3.618 15.555 -11.750 1.00 0.00 O ATOM 846 CB LEU A 56 -2.890 14.244 -14.484 1.00 0.00 C ATOM 847 CG LEU A 56 -2.435 15.576 -15.109 1.00 0.00 C ATOM 848 CD1 LEU A 56 -2.144 15.370 -16.600 1.00 0.00 C ATOM 849 CD2 LEU A 56 -3.496 16.676 -14.990 1.00 0.00 C ATOM 0 H LEU A 56 -3.775 12.403 -13.152 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.310 13.795 -13.158 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.566 13.431 -15.134 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.980 14.226 -14.470 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.545 15.890 -14.563 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.822 16.313 -17.042 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.356 14.626 -16.718 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.047 15.024 -17.103 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.123 17.593 -15.447 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.406 16.361 -15.501 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.715 16.858 -13.938 1.00 0.00 H new ATOM 861 N VAL A 57 -1.363 15.612 -11.646 1.00 0.00 N ATOM 862 CA VAL A 57 -1.247 16.823 -10.819 1.00 0.00 C ATOM 863 C VAL A 57 -0.828 17.982 -11.709 1.00 0.00 C ATOM 864 O VAL A 57 -1.409 19.068 -11.653 1.00 0.00 O ATOM 865 CB VAL A 57 -0.244 16.659 -9.656 1.00 0.00 C ATOM 866 CG1 VAL A 57 -0.369 17.831 -8.674 1.00 0.00 C ATOM 867 CG2 VAL A 57 -0.471 15.364 -8.871 1.00 0.00 C ATOM 0 H VAL A 57 -0.464 15.176 -11.853 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.219 17.015 -10.365 1.00 0.00 H new ATOM 0 HB VAL A 57 0.748 16.631 -10.107 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.344 17.701 -7.860 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.160 18.766 -9.194 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.381 17.860 -8.269 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.259 15.295 -8.064 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.477 15.365 -8.451 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.357 14.509 -9.538 1.00 0.00 H new ATOM 877 N HIS A 58 0.126 17.731 -12.608 1.00 0.00 N ATOM 878 CA HIS A 58 0.738 18.741 -13.468 1.00 0.00 C ATOM 879 C HIS A 58 0.480 18.442 -14.934 1.00 0.00 C ATOM 880 O HIS A 58 0.445 17.287 -15.357 1.00 0.00 O ATOM 881 CB HIS A 58 2.245 18.751 -13.255 1.00 0.00 C ATOM 882 CG HIS A 58 2.975 19.791 -14.063 1.00 0.00 C ATOM 883 ND1 HIS A 58 2.859 21.156 -13.957 1.00 0.00 N ATOM 884 CD2 HIS A 58 3.700 19.528 -15.196 1.00 0.00 C ATOM 885 CE1 HIS A 58 3.482 21.689 -15.017 1.00 0.00 C ATOM 886 NE2 HIS A 58 4.019 20.745 -15.796 1.00 0.00 N ATOM 0 H HIS A 58 0.502 16.795 -12.760 1.00 0.00 H new ATOM 0 HA HIS A 58 0.299 19.705 -13.209 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.450 18.918 -12.198 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.643 17.767 -13.505 1.00 0.00 H new ATOM 0 HD1 HIS A 58 2.387 21.668 -13.211 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.976 18.549 -15.560 1.00 0.00 H new ATOM 0 HE1 HIS A 58 3.543 22.749 -15.217 1.00 0.00 H new ATOM 894 N SER A 59 0.384 19.504 -15.716 1.00 0.00 N ATOM 895 CA SER A 59 0.224 19.448 -17.152 1.00 0.00 C ATOM 896 C SER A 59 0.767 20.706 -17.821 1.00 0.00 C ATOM 897 O SER A 59 0.262 21.814 -17.587 1.00 0.00 O ATOM 898 CB SER A 59 -1.266 19.369 -17.422 1.00 0.00 C ATOM 899 OG SER A 59 -1.516 19.312 -18.807 1.00 0.00 O ATOM 0 H SER A 59 0.417 20.457 -15.354 1.00 0.00 H new ATOM 0 HA SER A 59 0.768 18.591 -17.549 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.683 18.488 -16.935 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.766 20.237 -16.992 1.00 0.00 H new ATOM 0 HG SER A 59 -1.207 18.452 -19.160 1.00 0.00 H new ATOM 905 N LYS A 60 1.748 20.568 -18.712 1.00 0.00 N ATOM 906 CA LYS A 60 2.143 21.667 -19.588 1.00 0.00 C ATOM 907 C LYS A 60 1.119 21.982 -20.666 1.00 0.00 C ATOM 908 O LYS A 60 1.038 23.157 -21.016 1.00 0.00 O ATOM 909 CB LYS A 60 3.505 21.370 -20.212 1.00 0.00 C ATOM 910 CG LYS A 60 4.646 22.013 -19.411 1.00 0.00 C ATOM 911 CD LYS A 60 4.669 23.545 -19.419 1.00 0.00 C ATOM 912 CE LYS A 60 4.627 24.074 -20.854 1.00 0.00 C ATOM 913 NZ LYS A 60 4.978 25.512 -20.918 1.00 0.00 N ATOM 0 H LYS A 60 2.281 19.709 -18.845 1.00 0.00 H new ATOM 0 HA LYS A 60 2.206 22.559 -18.964 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.656 20.292 -20.260 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.525 21.741 -21.237 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.579 21.672 -18.378 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.595 21.650 -19.806 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.818 23.930 -18.858 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.569 23.904 -18.919 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.319 23.503 -21.473 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.630 23.924 -21.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.939 25.835 -21.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.303 26.060 -20.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.939 25.652 -20.546 1.00 0.00 H new ATOM 927 N LYS A 61 0.332 21.010 -21.153 1.00 0.00 N ATOM 928 CA LYS A 61 -0.767 21.316 -22.095 1.00 0.00 C ATOM 929 C LYS A 61 -1.953 22.051 -21.449 1.00 0.00 C ATOM 930 O LYS A 61 -2.658 22.762 -22.153 1.00 0.00 O ATOM 931 CB LYS A 61 -1.192 20.094 -22.926 1.00 0.00 C ATOM 932 CG LYS A 61 -1.869 18.965 -22.139 1.00 0.00 C ATOM 933 CD LYS A 61 -2.298 17.838 -23.092 1.00 0.00 C ATOM 934 CE LYS A 61 -2.993 16.669 -22.378 1.00 0.00 C ATOM 935 NZ LYS A 61 -2.069 15.909 -21.500 1.00 0.00 N ATOM 0 H LYS A 61 0.429 20.022 -20.919 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.350 22.033 -22.802 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.874 20.428 -23.708 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.310 19.689 -23.423 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.184 18.574 -21.387 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.738 19.353 -21.608 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.971 18.246 -23.846 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.420 17.463 -23.618 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.822 17.052 -21.783 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.419 15.995 -23.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.548 15.055 -21.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.224 15.635 -22.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.787 16.504 -20.695 1.00 0.00 H new ATOM 949 N ARG A 62 -2.128 21.966 -20.119 1.00 0.00 N ATOM 950 CA ARG A 62 -3.005 22.846 -19.331 1.00 0.00 C ATOM 951 C ARG A 62 -2.430 24.251 -19.145 1.00 0.00 C ATOM 952 O ARG A 62 -3.171 25.218 -19.036 1.00 0.00 O ATOM 953 CB ARG A 62 -3.168 22.153 -17.985 1.00 0.00 C ATOM 954 CG ARG A 62 -4.034 22.854 -16.953 1.00 0.00 C ATOM 955 CD ARG A 62 -4.091 21.977 -15.705 1.00 0.00 C ATOM 956 NE ARG A 62 -2.845 22.049 -14.913 1.00 0.00 N ATOM 957 CZ ARG A 62 -2.559 21.261 -13.883 1.00 0.00 C ATOM 958 NH1 ARG A 62 -3.141 20.111 -13.698 1.00 0.00 N ATOM 959 NH2 ARG A 62 -1.672 21.559 -12.991 1.00 0.00 N ATOM 0 H ARG A 62 -1.652 21.266 -19.550 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.954 22.994 -19.847 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.586 21.162 -18.162 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.177 22.009 -17.555 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.620 23.833 -16.711 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.037 23.020 -17.347 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.932 22.286 -15.084 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.274 20.943 -15.998 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.156 22.754 -15.176 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.847 19.784 -14.358 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.891 19.537 -12.893 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.154 22.435 -13.060 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.490 20.918 -12.219 1.00 0.00 H new ATOM 973 N GLY A 63 -1.104 24.333 -19.089 1.00 0.00 N ATOM 974 CA GLY A 63 -0.340 25.571 -19.020 1.00 0.00 C ATOM 975 C GLY A 63 0.241 25.886 -17.654 1.00 0.00 C ATOM 976 O GLY A 63 0.714 26.992 -17.425 1.00 0.00 O ATOM 0 H GLY A 63 -0.510 23.504 -19.091 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.475 25.519 -19.742 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.984 26.396 -19.324 1.00 0.00 H new ATOM 980 N ASP A 64 0.265 24.889 -16.774 1.00 0.00 N ATOM 981 CA ASP A 64 0.627 25.044 -15.365 1.00 0.00 C ATOM 982 C ASP A 64 2.061 25.561 -15.140 1.00 0.00 C ATOM 983 O ASP A 64 2.352 26.220 -14.143 1.00 0.00 O ATOM 984 CB ASP A 64 0.439 23.664 -14.761 1.00 0.00 C ATOM 985 CG ASP A 64 0.439 23.669 -13.242 1.00 0.00 C ATOM 986 OD1 ASP A 64 -0.615 24.079 -12.706 1.00 0.00 O ATOM 987 OD2 ASP A 64 1.353 23.047 -12.657 1.00 0.00 O ATOM 0 H ASP A 64 0.028 23.929 -17.024 1.00 0.00 H new ATOM 0 HA ASP A 64 0.002 25.804 -14.896 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.502 23.244 -15.116 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.234 23.008 -15.115 1.00 0.00 H new ATOM 992 N GLY A 65 2.961 25.265 -16.088 1.00 0.00 N ATOM 993 CA GLY A 65 4.397 25.561 -16.016 1.00 0.00 C ATOM 994 C GLY A 65 5.126 24.686 -14.995 1.00 0.00 C ATOM 995 O GLY A 65 4.585 24.320 -13.954 1.00 0.00 O ATOM 0 H GLY A 65 2.699 24.797 -16.956 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.844 25.415 -16.999 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.536 26.610 -15.755 1.00 0.00 H new ATOM 999 N TYR A 66 6.372 24.351 -15.289 1.00 0.00 N ATOM 1000 CA TYR A 66 7.174 23.400 -14.522 1.00 0.00 C ATOM 1001 C TYR A 66 7.421 23.854 -13.072 1.00 0.00 C ATOM 1002 O TYR A 66 6.999 24.940 -12.650 1.00 0.00 O ATOM 1003 CB TYR A 66 8.511 23.178 -15.249 1.00 0.00 C ATOM 1004 CG TYR A 66 8.441 23.171 -16.768 1.00 0.00 C ATOM 1005 CD1 TYR A 66 8.084 21.993 -17.453 1.00 0.00 C ATOM 1006 CD2 TYR A 66 8.705 24.352 -17.492 1.00 0.00 C ATOM 1007 CE1 TYR A 66 8.000 21.998 -18.857 1.00 0.00 C ATOM 1008 CE2 TYR A 66 8.582 24.366 -18.896 1.00 0.00 C ATOM 1009 CZ TYR A 66 8.225 23.186 -19.581 1.00 0.00 C ATOM 1010 OH TYR A 66 8.048 23.205 -20.930 1.00 0.00 O ATOM 0 H TYR A 66 6.871 24.741 -16.089 1.00 0.00 H new ATOM 0 HA TYR A 66 6.614 22.467 -14.457 1.00 0.00 H new ATOM 0 HB2 TYR A 66 9.206 23.958 -14.939 1.00 0.00 H new ATOM 0 HB3 TYR A 66 8.930 22.228 -14.918 1.00 0.00 H new ATOM 0 HD1 TYR A 66 7.875 21.088 -16.901 1.00 0.00 H new ATOM 0 HD2 TYR A 66 9.002 25.249 -16.969 1.00 0.00 H new ATOM 0 HE1 TYR A 66 7.762 21.086 -19.384 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.761 25.278 -19.446 1.00 0.00 H new ATOM 0 HH TYR A 66 8.244 24.102 -21.273 1.00 0.00 H new ATOM 1020 N VAL A 67 8.158 23.042 -12.301 1.00 0.00 N ATOM 1021 CA VAL A 67 8.734 23.546 -11.047 1.00 0.00 C ATOM 1022 C VAL A 67 9.821 24.578 -11.330 1.00 0.00 C ATOM 1023 O VAL A 67 10.989 24.286 -11.585 1.00 0.00 O ATOM 1024 CB VAL A 67 9.154 22.505 -10.013 1.00 0.00 C ATOM 1025 CG1 VAL A 67 7.921 21.684 -9.601 1.00 0.00 C ATOM 1026 CG2 VAL A 67 10.262 21.528 -10.432 1.00 0.00 C ATOM 0 H VAL A 67 8.365 22.066 -12.513 1.00 0.00 H new ATOM 0 HA VAL A 67 7.901 24.034 -10.541 1.00 0.00 H new ATOM 0 HB VAL A 67 9.579 23.089 -9.197 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.211 20.937 -8.862 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.170 22.347 -9.171 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.507 21.185 -10.477 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.470 20.840 -9.612 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.938 20.964 -11.306 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.166 22.086 -10.675 1.00 0.00 H new ATOM 1036 N ASP A 68 9.348 25.809 -11.343 1.00 0.00 N ATOM 1037 CA ASP A 68 10.046 27.028 -11.702 1.00 0.00 C ATOM 1038 C ASP A 68 10.077 28.031 -10.536 1.00 0.00 C ATOM 1039 O ASP A 68 10.580 29.147 -10.643 1.00 0.00 O ATOM 1040 CB ASP A 68 9.322 27.578 -12.914 1.00 0.00 C ATOM 1041 CG ASP A 68 9.553 26.765 -14.205 1.00 0.00 C ATOM 1042 OD1 ASP A 68 10.656 26.190 -14.380 1.00 0.00 O ATOM 1043 OD2 ASP A 68 8.598 26.657 -15.006 1.00 0.00 O ATOM 0 H ASP A 68 8.381 25.998 -11.080 1.00 0.00 H new ATOM 0 HA ASP A 68 11.094 26.834 -11.931 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.253 27.609 -12.703 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.644 28.606 -13.081 1.00 0.00 H new ATOM 1048 N THR A 69 9.533 27.638 -9.385 1.00 0.00 N ATOM 1049 CA THR A 69 9.677 28.374 -8.124 1.00 0.00 C ATOM 1050 C THR A 69 9.610 27.413 -6.945 1.00 0.00 C ATOM 1051 O THR A 69 9.023 26.333 -7.051 1.00 0.00 O ATOM 1052 CB THR A 69 8.592 29.451 -7.952 1.00 0.00 C ATOM 1053 OG1 THR A 69 7.982 29.829 -9.167 1.00 0.00 O ATOM 1054 CG2 THR A 69 9.142 30.734 -7.331 1.00 0.00 C ATOM 0 H THR A 69 8.973 26.790 -9.298 1.00 0.00 H new ATOM 0 HA THR A 69 10.647 28.870 -8.155 1.00 0.00 H new ATOM 0 HB THR A 69 7.860 28.979 -7.297 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.302 30.513 -8.993 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.338 31.463 -7.230 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.557 30.513 -6.348 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.924 31.142 -7.972 1.00 0.00 H new ATOM 1062 N GLU A 70 10.108 27.866 -5.794 1.00 0.00 N ATOM 1063 CA GLU A 70 10.053 27.144 -4.510 1.00 0.00 C ATOM 1064 C GLU A 70 8.629 26.713 -4.229 1.00 0.00 C ATOM 1065 O GLU A 70 8.320 25.537 -4.127 1.00 0.00 O ATOM 1066 CB GLU A 70 10.569 28.050 -3.368 1.00 0.00 C ATOM 1067 CG GLU A 70 11.453 27.343 -2.326 1.00 0.00 C ATOM 1068 CD GLU A 70 10.648 26.472 -1.346 1.00 0.00 C ATOM 1069 OE1 GLU A 70 10.396 25.296 -1.677 1.00 0.00 O ATOM 1070 OE2 GLU A 70 10.256 26.978 -0.266 1.00 0.00 O ATOM 0 H GLU A 70 10.575 28.770 -5.721 1.00 0.00 H new ATOM 0 HA GLU A 70 10.689 26.261 -4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.135 28.872 -3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.712 28.489 -2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.184 26.720 -2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.012 28.091 -1.764 1.00 0.00 H new ATOM 1077 N SER A 71 7.725 27.683 -4.279 1.00 0.00 N ATOM 1078 CA SER A 71 6.307 27.425 -4.009 1.00 0.00 C ATOM 1079 C SER A 71 5.714 26.376 -4.945 1.00 0.00 C ATOM 1080 O SER A 71 4.926 25.537 -4.512 1.00 0.00 O ATOM 1081 CB SER A 71 5.503 28.719 -4.122 1.00 0.00 C ATOM 1082 OG SER A 71 4.291 28.629 -3.393 1.00 0.00 O ATOM 0 H SER A 71 7.942 28.654 -4.503 1.00 0.00 H new ATOM 0 HA SER A 71 6.246 27.034 -2.993 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.096 29.554 -3.747 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.287 28.927 -5.170 1.00 0.00 H new ATOM 0 HG SER A 71 3.794 29.469 -3.479 1.00 0.00 H new ATOM 1088 N LYS A 72 6.139 26.383 -6.215 1.00 0.00 N ATOM 1089 CA LYS A 72 5.702 25.379 -7.188 1.00 0.00 C ATOM 1090 C LYS A 72 6.170 23.988 -6.776 1.00 0.00 C ATOM 1091 O LYS A 72 5.356 23.079 -6.634 1.00 0.00 O ATOM 1092 CB LYS A 72 6.143 25.725 -8.619 1.00 0.00 C ATOM 1093 CG LYS A 72 5.239 24.999 -9.637 1.00 0.00 C ATOM 1094 CD LYS A 72 4.001 25.820 -10.024 1.00 0.00 C ATOM 1095 CE LYS A 72 4.384 26.982 -10.951 1.00 0.00 C ATOM 1096 NZ LYS A 72 4.459 26.542 -12.363 1.00 0.00 N ATOM 0 H LYS A 72 6.787 27.075 -6.591 1.00 0.00 H new ATOM 0 HA LYS A 72 4.612 25.381 -7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.089 26.802 -8.775 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.182 25.433 -8.769 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.816 24.776 -10.534 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.920 24.045 -9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.274 25.177 -10.521 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.522 26.209 -9.126 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.651 27.783 -10.856 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.346 27.393 -10.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.149 27.129 -12.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.756 25.546 -12.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.524 26.641 -12.808 1.00 0.00 H new ATOM 1110 N PHE A 73 7.471 23.850 -6.535 1.00 0.00 N ATOM 1111 CA PHE A 73 8.075 22.605 -6.065 1.00 0.00 C ATOM 1112 C PHE A 73 7.382 22.129 -4.781 1.00 0.00 C ATOM 1113 O PHE A 73 6.805 21.047 -4.733 1.00 0.00 O ATOM 1114 CB PHE A 73 9.592 22.811 -5.909 1.00 0.00 C ATOM 1115 CG PHE A 73 10.348 21.568 -5.486 1.00 0.00 C ATOM 1116 CD1 PHE A 73 10.342 20.424 -6.308 1.00 0.00 C ATOM 1117 CD2 PHE A 73 11.038 21.542 -4.258 1.00 0.00 C ATOM 1118 CE1 PHE A 73 10.956 19.237 -5.874 1.00 0.00 C ATOM 1119 CE2 PHE A 73 11.662 20.362 -3.829 1.00 0.00 C ATOM 1120 CZ PHE A 73 11.588 19.205 -4.621 1.00 0.00 C ATOM 0 H PHE A 73 8.143 24.607 -6.662 1.00 0.00 H new ATOM 0 HA PHE A 73 7.932 21.807 -6.793 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.998 23.165 -6.856 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.767 23.597 -5.174 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.864 20.459 -7.276 1.00 0.00 H new ATOM 0 HD2 PHE A 73 11.086 22.431 -3.647 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.942 18.357 -6.499 1.00 0.00 H new ATOM 0 HE2 PHE A 73 12.198 20.343 -2.892 1.00 0.00 H new ATOM 0 HZ PHE A 73 12.021 18.283 -4.263 1.00 0.00 H new ATOM 1130 N ARG A 74 7.326 22.986 -3.766 1.00 0.00 N ATOM 1131 CA ARG A 74 6.782 22.737 -2.431 1.00 0.00 C ATOM 1132 C ARG A 74 5.298 22.404 -2.385 1.00 0.00 C ATOM 1133 O ARG A 74 4.907 21.636 -1.511 1.00 0.00 O ATOM 1134 CB ARG A 74 7.113 23.968 -1.570 1.00 0.00 C ATOM 1135 CG ARG A 74 7.237 23.672 -0.070 1.00 0.00 C ATOM 1136 CD ARG A 74 8.179 24.710 0.551 1.00 0.00 C ATOM 1137 NE ARG A 74 8.151 24.696 2.019 1.00 0.00 N ATOM 1138 CZ ARG A 74 8.865 25.495 2.792 1.00 0.00 C ATOM 1139 NH1 ARG A 74 9.693 26.386 2.332 1.00 0.00 N ATOM 1140 NH2 ARG A 74 8.744 25.419 4.086 1.00 0.00 N ATOM 0 H ARG A 74 7.683 23.937 -3.859 1.00 0.00 H new ATOM 0 HA ARG A 74 7.249 21.832 -2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.049 24.402 -1.922 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.338 24.720 -1.718 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.258 23.715 0.407 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.625 22.666 0.087 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.197 24.521 0.210 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.903 25.703 0.196 1.00 0.00 H new ATOM 0 HE ARG A 74 7.536 24.021 2.475 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.817 26.495 1.326 1.00 0.00 H new ATOM 0 HH12 ARG A 74 10.218 26.976 2.978 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.100 24.745 4.499 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.293 26.034 4.687 1.00 0.00 H new ATOM 1154 N LYS A 75 4.472 22.894 -3.316 1.00 0.00 N ATOM 1155 CA LYS A 75 3.084 22.435 -3.489 1.00 0.00 C ATOM 1156 C LYS A 75 3.054 20.946 -3.837 1.00 0.00 C ATOM 1157 O LYS A 75 2.282 20.192 -3.250 1.00 0.00 O ATOM 1158 CB LYS A 75 2.336 23.257 -4.565 1.00 0.00 C ATOM 1159 CG LYS A 75 1.352 24.287 -3.981 1.00 0.00 C ATOM 1160 CD LYS A 75 2.040 25.567 -3.484 1.00 0.00 C ATOM 1161 CE LYS A 75 1.061 26.595 -2.904 1.00 0.00 C ATOM 1162 NZ LYS A 75 0.451 26.146 -1.627 1.00 0.00 N ATOM 0 H LYS A 75 4.746 23.623 -3.975 1.00 0.00 H new ATOM 0 HA LYS A 75 2.567 22.588 -2.542 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.066 23.776 -5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.790 22.575 -5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.617 24.549 -4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.807 23.831 -3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.774 25.304 -2.722 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.587 26.022 -4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.584 27.537 -2.741 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.272 26.790 -3.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.202 26.877 -1.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.072 25.261 -1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.199 25.985 -0.923 1.00 0.00 H new ATOM 1176 N LEU A 76 3.944 20.532 -4.738 1.00 0.00 N ATOM 1177 CA LEU A 76 4.036 19.156 -5.222 1.00 0.00 C ATOM 1178 C LEU A 76 4.674 18.251 -4.177 1.00 0.00 C ATOM 1179 O LEU A 76 4.109 17.218 -3.828 1.00 0.00 O ATOM 1180 CB LEU A 76 4.793 19.169 -6.574 1.00 0.00 C ATOM 1181 CG LEU A 76 4.572 18.008 -7.569 1.00 0.00 C ATOM 1182 CD1 LEU A 76 5.259 16.707 -7.162 1.00 0.00 C ATOM 1183 CD2 LEU A 76 3.097 17.722 -7.843 1.00 0.00 C ATOM 0 H LEU A 76 4.633 21.155 -5.159 1.00 0.00 H new ATOM 0 HA LEU A 76 3.044 18.738 -5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.534 20.095 -7.087 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.859 19.214 -6.353 1.00 0.00 H new ATOM 0 HG LEU A 76 5.039 18.369 -8.485 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.058 15.940 -7.910 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.334 16.870 -7.090 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.876 16.381 -6.195 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.012 16.896 -8.549 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.599 17.455 -6.911 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.626 18.610 -8.265 1.00 0.00 H new ATOM 1195 N VAL A 77 5.787 18.683 -3.592 1.00 0.00 N ATOM 1196 CA VAL A 77 6.434 17.936 -2.504 1.00 0.00 C ATOM 1197 C VAL A 77 5.493 17.773 -1.327 1.00 0.00 C ATOM 1198 O VAL A 77 5.380 16.675 -0.791 1.00 0.00 O ATOM 1199 CB VAL A 77 7.765 18.560 -2.052 1.00 0.00 C ATOM 1200 CG1 VAL A 77 8.369 17.834 -0.843 1.00 0.00 C ATOM 1201 CG2 VAL A 77 8.783 18.469 -3.181 1.00 0.00 C ATOM 0 H VAL A 77 6.265 19.547 -3.849 1.00 0.00 H new ATOM 0 HA VAL A 77 6.673 16.952 -2.907 1.00 0.00 H new ATOM 0 HB VAL A 77 7.549 19.593 -1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.307 18.313 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.673 17.881 -0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.556 16.792 -1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.725 18.912 -2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.944 17.423 -3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.409 19.007 -4.052 1.00 0.00 H new ATOM 1211 N THR A 78 4.754 18.818 -0.949 1.00 0.00 N ATOM 1212 CA THR A 78 3.806 18.714 0.159 1.00 0.00 C ATOM 1213 C THR A 78 2.658 17.783 -0.174 1.00 0.00 C ATOM 1214 O THR A 78 2.240 17.017 0.690 1.00 0.00 O ATOM 1215 CB THR A 78 3.292 20.082 0.631 1.00 0.00 C ATOM 1216 OG1 THR A 78 4.384 20.899 0.974 1.00 0.00 O ATOM 1217 CG2 THR A 78 2.410 20.012 1.877 1.00 0.00 C ATOM 0 H THR A 78 4.793 19.737 -1.390 1.00 0.00 H new ATOM 0 HA THR A 78 4.358 18.282 0.993 1.00 0.00 H new ATOM 0 HB THR A 78 2.703 20.474 -0.198 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.930 21.066 0.178 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.085 21.016 2.150 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.538 19.392 1.671 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.977 19.578 2.700 1.00 0.00 H new ATOM 1225 N ALA A 79 2.206 17.768 -1.428 1.00 0.00 N ATOM 1226 CA ALA A 79 1.101 16.897 -1.806 1.00 0.00 C ATOM 1227 C ALA A 79 1.505 15.429 -1.889 1.00 0.00 C ATOM 1228 O ALA A 79 0.752 14.548 -1.476 1.00 0.00 O ATOM 1229 CB ALA A 79 0.474 17.403 -3.110 1.00 0.00 C ATOM 0 H ALA A 79 2.582 18.339 -2.185 1.00 0.00 H new ATOM 0 HA ALA A 79 0.350 16.939 -1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.353 16.751 -3.393 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.103 18.418 -2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.225 17.400 -3.900 1.00 0.00 H new ATOM 1235 N ILE A 80 2.732 15.171 -2.327 1.00 0.00 N ATOM 1236 CA ILE A 80 3.266 13.816 -2.387 1.00 0.00 C ATOM 1237 C ILE A 80 3.655 13.373 -0.979 1.00 0.00 C ATOM 1238 O ILE A 80 3.445 12.218 -0.649 1.00 0.00 O ATOM 1239 CB ILE A 80 4.433 13.726 -3.389 1.00 0.00 C ATOM 1240 CG1 ILE A 80 4.015 14.081 -4.835 1.00 0.00 C ATOM 1241 CG2 ILE A 80 5.064 12.323 -3.379 1.00 0.00 C ATOM 1242 CD1 ILE A 80 3.071 13.100 -5.540 1.00 0.00 C ATOM 0 H ILE A 80 3.380 15.890 -2.648 1.00 0.00 H new ATOM 0 HA ILE A 80 2.504 13.130 -2.757 1.00 0.00 H new ATOM 0 HB ILE A 80 5.164 14.465 -3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.538 15.061 -4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.919 14.175 -5.437 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.885 12.288 -4.095 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.443 12.102 -2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.311 11.584 -3.653 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.854 13.462 -6.545 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.544 12.120 -5.601 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.142 13.019 -4.975 1.00 0.00 H new ATOM 1254 N LYS A 81 4.126 14.271 -0.106 1.00 0.00 N ATOM 1255 CA LYS A 81 4.503 13.936 1.281 1.00 0.00 C ATOM 1256 C LYS A 81 3.286 13.577 2.110 1.00 0.00 C ATOM 1257 O LYS A 81 3.295 12.603 2.859 1.00 0.00 O ATOM 1258 CB LYS A 81 5.234 15.126 1.923 1.00 0.00 C ATOM 1259 CG LYS A 81 5.801 14.793 3.316 1.00 0.00 C ATOM 1260 CD LYS A 81 6.882 15.780 3.791 1.00 0.00 C ATOM 1261 CE LYS A 81 8.208 15.561 3.046 1.00 0.00 C ATOM 1262 NZ LYS A 81 9.345 16.273 3.681 1.00 0.00 N ATOM 0 H LYS A 81 4.259 15.255 -0.338 1.00 0.00 H new ATOM 0 HA LYS A 81 5.164 13.070 1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.047 15.443 1.270 1.00 0.00 H new ATOM 0 HB3 LYS A 81 4.546 15.968 2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.985 14.784 4.039 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.221 13.787 3.298 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.538 16.802 3.632 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.041 15.660 4.863 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.428 14.494 3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.102 15.900 2.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.241 15.877 3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.298 17.284 3.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.294 16.157 4.713 1.00 0.00 H new ATOM 1276 N ALA A 82 2.246 14.383 1.940 1.00 0.00 N ATOM 1277 CA ALA A 82 0.937 14.163 2.537 1.00 0.00 C ATOM 1278 C ALA A 82 0.349 12.836 2.051 1.00 0.00 C ATOM 1279 O ALA A 82 0.099 11.949 2.868 1.00 0.00 O ATOM 1280 CB ALA A 82 0.026 15.358 2.235 1.00 0.00 C ATOM 0 H ALA A 82 2.291 15.227 1.370 1.00 0.00 H new ATOM 0 HA ALA A 82 1.030 14.088 3.620 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.954 15.191 2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.465 16.265 2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.083 15.469 1.156 1.00 0.00 H new ATOM 1286 N ALA A 83 0.223 12.662 0.731 1.00 0.00 N ATOM 1287 CA ALA A 83 -0.325 11.437 0.155 1.00 0.00 C ATOM 1288 C ALA A 83 0.480 10.193 0.540 1.00 0.00 C ATOM 1289 O ALA A 83 -0.091 9.132 0.786 1.00 0.00 O ATOM 1290 CB ALA A 83 -0.457 11.592 -1.361 1.00 0.00 C ATOM 0 H ALA A 83 0.496 13.361 0.040 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.318 11.281 0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.866 10.676 -1.786 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.123 12.425 -1.585 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.524 11.786 -1.794 1.00 0.00 H new ATOM 1296 N LEU A 84 1.798 10.344 0.676 1.00 0.00 N ATOM 1297 CA LEU A 84 2.690 9.276 1.125 1.00 0.00 C ATOM 1298 C LEU A 84 2.400 8.876 2.561 1.00 0.00 C ATOM 1299 O LEU A 84 2.127 7.713 2.830 1.00 0.00 O ATOM 1300 CB LEU A 84 4.161 9.701 0.957 1.00 0.00 C ATOM 1301 CG LEU A 84 5.221 8.606 1.007 1.00 0.00 C ATOM 1302 CD1 LEU A 84 5.565 8.128 2.418 1.00 0.00 C ATOM 1303 CD2 LEU A 84 4.794 7.437 0.122 1.00 0.00 C ATOM 0 H LEU A 84 2.280 11.220 0.475 1.00 0.00 H new ATOM 0 HA LEU A 84 2.509 8.401 0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.255 10.216 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.392 10.428 1.735 1.00 0.00 H new ATOM 0 HG LEU A 84 6.142 9.048 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.326 7.350 2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.944 8.966 3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.670 7.727 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.553 6.656 0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.845 7.038 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.679 7.782 -0.906 1.00 0.00 H new ATOM 1315 N ALA A 85 2.436 9.837 3.477 1.00 0.00 N ATOM 1316 CA ALA A 85 2.168 9.597 4.899 1.00 0.00 C ATOM 1317 C ALA A 85 0.743 9.093 5.198 1.00 0.00 C ATOM 1318 O ALA A 85 0.507 8.469 6.230 1.00 0.00 O ATOM 1319 CB ALA A 85 2.493 10.875 5.682 1.00 0.00 C ATOM 0 H ALA A 85 2.652 10.810 3.258 1.00 0.00 H new ATOM 0 HA ALA A 85 2.814 8.781 5.222 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.298 10.712 6.742 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.543 11.131 5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.869 11.692 5.320 1.00 0.00 H new ATOM 1325 N GLN A 86 -0.192 9.318 4.277 1.00 0.00 N ATOM 1326 CA GLN A 86 -1.554 8.775 4.298 1.00 0.00 C ATOM 1327 C GLN A 86 -1.560 7.316 3.824 1.00 0.00 C ATOM 1328 O GLN A 86 -2.025 6.415 4.522 1.00 0.00 O ATOM 1329 CB GLN A 86 -2.482 9.669 3.452 1.00 0.00 C ATOM 1330 CG GLN A 86 -2.737 11.030 4.127 1.00 0.00 C ATOM 1331 CD GLN A 86 -3.418 12.050 3.212 1.00 0.00 C ATOM 1332 OE1 GLN A 86 -3.123 12.206 2.040 1.00 0.00 O ATOM 1333 NE2 GLN A 86 -4.357 12.822 3.711 1.00 0.00 N ATOM 0 H GLN A 86 -0.017 9.906 3.462 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.932 8.776 5.320 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -2.037 9.828 2.470 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -3.432 9.159 3.293 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.356 10.877 5.011 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -1.787 11.440 4.470 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.633 12.723 4.688 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.810 13.520 3.121 1.00 0.00 H new ATOM 1342 N CYS A 87 -0.980 7.089 2.650 1.00 0.00 N ATOM 1343 CA CYS A 87 -0.795 5.780 2.016 1.00 0.00 C ATOM 1344 C CYS A 87 0.074 4.818 2.836 1.00 0.00 C ATOM 1345 O CYS A 87 -0.070 3.605 2.719 1.00 0.00 O ATOM 1346 CB CYS A 87 -0.158 5.992 0.641 1.00 0.00 C ATOM 1347 SG CYS A 87 -0.508 4.570 -0.429 1.00 0.00 S ATOM 0 H CYS A 87 -0.606 7.849 2.083 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.778 5.316 1.938 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -0.547 6.904 0.187 1.00 0.00 H new ATOM 0 HB3 CYS A 87 0.919 6.123 0.746 1.00 0.00 H new ATOM 0 HG CYS A 87 0.508 3.759 -0.418 1.00 0.00 H new ATOM 1353 N GLN A 88 0.966 5.332 3.685 1.00 0.00 N ATOM 1354 CA GLN A 88 1.844 4.487 4.510 1.00 0.00 C ATOM 1355 C GLN A 88 1.068 3.601 5.503 1.00 0.00 C ATOM 1356 O GLN A 88 1.565 2.544 5.892 1.00 0.00 O ATOM 1357 CB GLN A 88 2.909 5.353 5.215 1.00 0.00 C ATOM 1358 CG GLN A 88 4.172 4.578 5.647 1.00 0.00 C ATOM 1359 CD GLN A 88 4.285 4.308 7.150 1.00 0.00 C ATOM 1360 OE1 GLN A 88 5.126 4.855 7.842 1.00 0.00 O ATOM 1361 NE2 GLN A 88 3.491 3.425 7.711 1.00 0.00 N ATOM 0 H GLN A 88 1.103 6.333 3.822 1.00 0.00 H new ATOM 0 HA GLN A 88 2.352 3.793 3.840 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.204 6.162 4.546 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.461 5.814 6.095 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.193 3.624 5.120 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.051 5.138 5.327 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.779 2.953 7.154 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.587 3.211 8.704 1.00 0.00 H new TER 1370 GLN A 88