USER MOD reduce.3.24.130724 H: found=0, std=0, add=294, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 293 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 NoAdj-H: A 26 HIS HE2 : A 26 HIS NE2 : A 34 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.191 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -156:sc= 0.285 (180deg=0.0951) USER MOD Single : A 16 TYR OH : rot 130:sc= -1.16 USER MOD Single : A 17 MET CE :methyl 152:sc= -10.2! (180deg=-12.9!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0163 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.16 USER MOD Single : A 24 GLN : amide:sc= -0.374 X(o=-0.37,f=-0.52) USER MOD Single : A 25 GLN : amide:sc= -0.062 X(o=-0.062,f=-0.37) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= 0.712 (180deg=0.583) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.151) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.570 -9.027 8.699 1.00 0.00 N ATOM 2 CA GLY A 1 15.403 -10.380 8.113 1.00 0.00 C ATOM 3 C GLY A 1 15.416 -10.350 6.600 1.00 0.00 C ATOM 4 O GLY A 1 14.527 -9.763 5.982 1.00 0.00 O ATOM 0 H1 GLY A 1 15.555 -9.094 9.737 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.478 -8.625 8.391 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.794 -8.413 8.381 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.202 -11.030 8.469 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.463 -10.811 8.459 1.00 0.00 H new ATOM 10 N SER A 2 16.444 -10.944 6.006 1.00 0.00 N ATOM 11 CA SER A 2 16.592 -10.959 4.556 1.00 0.00 C ATOM 12 C SER A 2 15.511 -11.815 3.900 1.00 0.00 C ATOM 13 O SER A 2 14.975 -11.460 2.851 1.00 0.00 O ATOM 14 CB SER A 2 17.976 -11.488 4.188 1.00 0.00 C ATOM 15 OG SER A 2 18.729 -11.783 5.355 1.00 0.00 O ATOM 0 H SER A 2 17.191 -11.424 6.509 1.00 0.00 H new ATOM 0 HA SER A 2 16.482 -9.939 4.187 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.877 -12.385 3.577 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.505 -10.749 3.586 1.00 0.00 H new ATOM 0 HG SER A 2 19.612 -12.122 5.098 1.00 0.00 H new ATOM 21 N ARG A 3 15.192 -12.941 4.524 1.00 0.00 N ATOM 22 CA ARG A 3 14.174 -13.840 4.006 1.00 0.00 C ATOM 23 C ARG A 3 12.818 -13.512 4.624 1.00 0.00 C ATOM 24 O ARG A 3 12.308 -14.254 5.466 1.00 0.00 O ATOM 25 CB ARG A 3 14.556 -15.295 4.299 1.00 0.00 C ATOM 26 CG ARG A 3 13.789 -16.312 3.472 1.00 0.00 C ATOM 27 CD ARG A 3 14.237 -16.302 2.021 1.00 0.00 C ATOM 28 NE ARG A 3 13.316 -17.039 1.157 1.00 0.00 N ATOM 29 CZ ARG A 3 13.446 -17.125 -0.164 1.00 0.00 C ATOM 30 NH1 ARG A 3 14.438 -16.490 -0.781 1.00 0.00 N ATOM 31 NH2 ARG A 3 12.571 -17.832 -0.873 1.00 0.00 N ATOM 0 H ARG A 3 15.626 -13.253 5.393 1.00 0.00 H new ATOM 0 HA ARG A 3 14.105 -13.709 2.926 1.00 0.00 H new ATOM 0 HB2 ARG A 3 15.623 -15.424 4.117 1.00 0.00 H new ATOM 0 HB3 ARG A 3 14.386 -15.499 5.356 1.00 0.00 H new ATOM 0 HG2 ARG A 3 13.934 -17.307 3.892 1.00 0.00 H new ATOM 0 HG3 ARG A 3 12.722 -16.096 3.526 1.00 0.00 H new ATOM 0 HD2 ARG A 3 14.315 -15.272 1.673 1.00 0.00 H new ATOM 0 HD3 ARG A 3 15.233 -16.740 1.946 1.00 0.00 H new ATOM 0 HE ARG A 3 12.527 -17.516 1.593 1.00 0.00 H new ATOM 0 HH11 ARG A 3 15.102 -15.935 -0.241 1.00 0.00 H new ATOM 0 HH12 ARG A 3 14.535 -16.558 -1.794 1.00 0.00 H new ATOM 0 HH21 ARG A 3 11.801 -18.308 -0.404 1.00 0.00 H new ATOM 0 HH22 ARG A 3 12.670 -17.898 -1.886 1.00 0.00 H new ATOM 45 N LEU A 4 12.256 -12.382 4.229 1.00 0.00 N ATOM 46 CA LEU A 4 10.970 -11.950 4.754 1.00 0.00 C ATOM 47 C LEU A 4 9.854 -12.335 3.791 1.00 0.00 C ATOM 48 O LEU A 4 10.063 -12.372 2.576 1.00 0.00 O ATOM 49 CB LEU A 4 10.974 -10.433 4.983 1.00 0.00 C ATOM 50 CG LEU A 4 10.538 -9.986 6.379 1.00 0.00 C ATOM 51 CD1 LEU A 4 11.438 -10.599 7.440 1.00 0.00 C ATOM 52 CD2 LEU A 4 10.551 -8.468 6.477 1.00 0.00 C ATOM 0 H LEU A 4 12.669 -11.747 3.547 1.00 0.00 H new ATOM 0 HA LEU A 4 10.796 -12.447 5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.979 -10.056 4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.317 -9.969 4.248 1.00 0.00 H new ATOM 0 HG LEU A 4 9.520 -10.334 6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.113 -10.270 8.427 1.00 0.00 H new ATOM 0 HD12 LEU A 4 11.380 -11.686 7.382 1.00 0.00 H new ATOM 0 HD13 LEU A 4 12.467 -10.281 7.272 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.238 -8.165 7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 4 11.559 -8.100 6.285 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.865 -8.050 5.740 1.00 0.00 H new ATOM 64 N PRO A 5 8.663 -12.666 4.318 1.00 0.00 N ATOM 65 CA PRO A 5 7.517 -13.052 3.490 1.00 0.00 C ATOM 66 C PRO A 5 7.120 -11.947 2.515 1.00 0.00 C ATOM 67 O PRO A 5 7.098 -10.763 2.869 1.00 0.00 O ATOM 68 CB PRO A 5 6.393 -13.305 4.503 1.00 0.00 C ATOM 69 CG PRO A 5 6.838 -12.637 5.761 1.00 0.00 C ATOM 70 CD PRO A 5 8.338 -12.692 5.752 1.00 0.00 C ATOM 0 HA PRO A 5 7.740 -13.921 2.871 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.447 -12.892 4.152 1.00 0.00 H new ATOM 0 HB3 PRO A 5 6.237 -14.372 4.659 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.486 -11.606 5.801 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.434 -13.146 6.636 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.776 -11.845 6.280 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.711 -13.596 6.234 1.00 0.00 H new ATOM 78 N LYS A 6 6.824 -12.334 1.286 1.00 0.00 N ATOM 79 CA LYS A 6 6.437 -11.383 0.263 1.00 0.00 C ATOM 80 C LYS A 6 4.931 -11.405 0.074 1.00 0.00 C ATOM 81 O LYS A 6 4.374 -12.340 -0.507 1.00 0.00 O ATOM 82 CB LYS A 6 7.148 -11.696 -1.053 1.00 0.00 C ATOM 83 CG LYS A 6 8.457 -10.942 -1.224 1.00 0.00 C ATOM 84 CD LYS A 6 8.742 -10.637 -2.684 1.00 0.00 C ATOM 85 CE LYS A 6 8.327 -9.222 -3.049 1.00 0.00 C ATOM 86 NZ LYS A 6 7.592 -9.175 -4.339 1.00 0.00 N ATOM 0 H LYS A 6 6.845 -13.305 0.973 1.00 0.00 H new ATOM 0 HA LYS A 6 6.734 -10.384 0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.344 -12.767 -1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.485 -11.452 -1.883 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.417 -10.011 -0.659 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.274 -11.532 -0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.806 -10.768 -2.883 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.209 -11.348 -3.316 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.698 -8.813 -2.258 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.212 -8.589 -3.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.327 -8.192 -4.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.200 -9.542 -5.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.734 -9.758 -4.271 1.00 0.00 H new ATOM 100 N LEU A 7 4.274 -10.404 0.632 1.00 0.00 N ATOM 101 CA LEU A 7 2.825 -10.304 0.576 1.00 0.00 C ATOM 102 C LEU A 7 2.394 -9.604 -0.708 1.00 0.00 C ATOM 103 O LEU A 7 3.130 -9.591 -1.696 1.00 0.00 O ATOM 104 CB LEU A 7 2.299 -9.524 1.788 1.00 0.00 C ATOM 105 CG LEU A 7 2.134 -10.324 3.084 1.00 0.00 C ATOM 106 CD1 LEU A 7 1.376 -11.620 2.829 1.00 0.00 C ATOM 107 CD2 LEU A 7 3.486 -10.610 3.718 1.00 0.00 C ATOM 0 H LEU A 7 4.726 -9.640 1.135 1.00 0.00 H new ATOM 0 HA LEU A 7 2.409 -11.311 0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.977 -8.693 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.333 -9.093 1.526 1.00 0.00 H new ATOM 0 HG LEU A 7 1.551 -9.721 3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.272 -12.170 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.388 -11.391 2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.926 -12.227 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.344 -11.179 4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.098 -11.187 3.025 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.987 -9.669 3.948 1.00 0.00 H new ATOM 119 N TYR A 8 1.238 -8.966 -0.660 1.00 0.00 N ATOM 120 CA TYR A 8 0.743 -8.194 -1.787 1.00 0.00 C ATOM 121 C TYR A 8 1.037 -6.722 -1.545 1.00 0.00 C ATOM 122 O TYR A 8 0.972 -6.259 -0.408 1.00 0.00 O ATOM 123 CB TYR A 8 -0.763 -8.414 -1.965 1.00 0.00 C ATOM 124 CG TYR A 8 -1.184 -9.867 -1.888 1.00 0.00 C ATOM 125 CD1 TYR A 8 -1.308 -10.510 -0.662 1.00 0.00 C ATOM 126 CD2 TYR A 8 -1.455 -10.595 -3.038 1.00 0.00 C ATOM 127 CE1 TYR A 8 -1.685 -11.836 -0.584 1.00 0.00 C ATOM 128 CE2 TYR A 8 -1.834 -11.922 -2.969 1.00 0.00 C ATOM 129 CZ TYR A 8 -1.948 -12.538 -1.740 1.00 0.00 C ATOM 130 OH TYR A 8 -2.322 -13.860 -1.665 1.00 0.00 O ATOM 0 H TYR A 8 0.621 -8.967 0.152 1.00 0.00 H new ATOM 0 HA TYR A 8 1.243 -8.521 -2.699 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -1.296 -7.850 -1.199 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.068 -8.008 -2.929 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -1.106 -9.962 0.247 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -1.368 -10.117 -4.002 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.773 -12.320 0.377 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.040 -12.475 -3.874 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.472 -14.209 -2.568 1.00 0.00 H new ATOM 140 N LEU A 9 1.449 -6.012 -2.583 1.00 0.00 N ATOM 141 CA LEU A 9 1.855 -4.621 -2.436 1.00 0.00 C ATOM 142 C LEU A 9 0.800 -3.668 -2.990 1.00 0.00 C ATOM 143 O LEU A 9 0.479 -3.706 -4.179 1.00 0.00 O ATOM 144 CB LEU A 9 3.195 -4.393 -3.145 1.00 0.00 C ATOM 145 CG LEU A 9 4.198 -3.516 -2.394 1.00 0.00 C ATOM 146 CD1 LEU A 9 5.560 -3.574 -3.059 1.00 0.00 C ATOM 147 CD2 LEU A 9 3.719 -2.086 -2.331 1.00 0.00 C ATOM 0 H LEU A 9 1.512 -6.374 -3.535 1.00 0.00 H new ATOM 0 HA LEU A 9 1.965 -4.412 -1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.656 -5.363 -3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.999 -3.940 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 9 4.284 -3.900 -1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.260 -2.944 -2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.921 -4.602 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.479 -3.218 -4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.449 -1.481 -1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.601 -1.697 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.761 -2.046 -1.813 1.00 0.00 H new ATOM 159 N CYS A 10 0.284 -2.796 -2.122 1.00 0.00 N ATOM 160 CA CYS A 10 -0.695 -1.795 -2.513 1.00 0.00 C ATOM 161 C CYS A 10 -0.074 -0.819 -3.520 1.00 0.00 C ATOM 162 O CYS A 10 -0.693 -0.460 -4.522 1.00 0.00 O ATOM 163 CB CYS A 10 -1.188 -1.067 -1.254 1.00 0.00 C ATOM 164 SG CYS A 10 -0.869 0.724 -1.229 1.00 0.00 S ATOM 0 H CYS A 10 0.535 -2.768 -1.134 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.547 -2.270 -2.999 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.261 -1.231 -1.154 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.714 -1.518 -0.382 1.00 0.00 H new ATOM 169 N GLU A 11 1.194 -0.484 -3.265 1.00 0.00 N ATOM 170 CA GLU A 11 2.018 0.350 -4.147 1.00 0.00 C ATOM 171 C GLU A 11 1.621 1.823 -4.099 1.00 0.00 C ATOM 172 O GLU A 11 2.345 2.674 -4.611 1.00 0.00 O ATOM 173 CB GLU A 11 1.996 -0.171 -5.583 1.00 0.00 C ATOM 174 CG GLU A 11 2.741 -1.485 -5.750 1.00 0.00 C ATOM 175 CD GLU A 11 2.839 -1.929 -7.189 1.00 0.00 C ATOM 176 OE1 GLU A 11 1.792 -2.032 -7.859 1.00 0.00 O ATOM 177 OE2 GLU A 11 3.966 -2.184 -7.662 1.00 0.00 O ATOM 0 H GLU A 11 1.686 -0.790 -2.425 1.00 0.00 H new ATOM 0 HA GLU A 11 3.039 0.282 -3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.961 -0.304 -5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.438 0.577 -6.242 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.745 -1.382 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.237 -2.258 -5.171 1.00 0.00 H new ATOM 184 N PHE A 12 0.559 2.135 -3.377 1.00 0.00 N ATOM 185 CA PHE A 12 0.176 3.523 -3.160 1.00 0.00 C ATOM 186 C PHE A 12 0.688 3.980 -1.796 1.00 0.00 C ATOM 187 O PHE A 12 1.480 4.919 -1.696 1.00 0.00 O ATOM 188 CB PHE A 12 -1.343 3.682 -3.252 1.00 0.00 C ATOM 189 CG PHE A 12 -1.916 3.341 -4.600 1.00 0.00 C ATOM 190 CD1 PHE A 12 -1.401 3.920 -5.748 1.00 0.00 C ATOM 191 CD2 PHE A 12 -2.971 2.443 -4.723 1.00 0.00 C ATOM 192 CE1 PHE A 12 -1.922 3.615 -6.988 1.00 0.00 C ATOM 193 CE2 PHE A 12 -3.494 2.136 -5.964 1.00 0.00 C ATOM 194 CZ PHE A 12 -2.969 2.722 -7.096 1.00 0.00 C ATOM 0 H PHE A 12 -0.053 1.451 -2.932 1.00 0.00 H new ATOM 0 HA PHE A 12 0.623 4.146 -3.935 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.810 3.047 -2.499 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.605 4.711 -3.008 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.581 4.619 -5.671 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.385 1.981 -3.839 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.511 4.075 -7.874 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.313 1.438 -6.047 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.377 2.482 -8.067 1.00 0.00 H new ATOM 204 N CYS A 13 0.423 3.153 -0.794 1.00 0.00 N ATOM 205 CA CYS A 13 1.054 3.290 0.507 1.00 0.00 C ATOM 206 C CYS A 13 2.327 2.463 0.513 1.00 0.00 C ATOM 207 O CYS A 13 3.166 2.580 1.411 1.00 0.00 O ATOM 208 CB CYS A 13 0.132 2.791 1.625 1.00 0.00 C ATOM 209 SG CYS A 13 -1.621 3.253 1.449 1.00 0.00 S ATOM 0 H CYS A 13 -0.232 2.374 -0.861 1.00 0.00 H new ATOM 0 HA CYS A 13 1.270 4.344 0.684 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.202 1.704 1.674 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.499 3.177 2.576 1.00 0.00 H new ATOM 214 N LEU A 14 2.384 1.535 -0.439 1.00 0.00 N ATOM 215 CA LEU A 14 3.469 0.575 -0.528 1.00 0.00 C ATOM 216 C LEU A 14 3.455 -0.336 0.692 1.00 0.00 C ATOM 217 O LEU A 14 4.495 -0.640 1.278 1.00 0.00 O ATOM 218 CB LEU A 14 4.822 1.277 -0.677 1.00 0.00 C ATOM 219 CG LEU A 14 5.053 1.950 -2.030 1.00 0.00 C ATOM 220 CD1 LEU A 14 5.792 3.266 -1.851 1.00 0.00 C ATOM 221 CD2 LEU A 14 5.818 1.025 -2.962 1.00 0.00 C ATOM 0 H LEU A 14 1.678 1.432 -1.167 1.00 0.00 H new ATOM 0 HA LEU A 14 3.321 -0.033 -1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.913 2.029 0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.614 0.547 -0.511 1.00 0.00 H new ATOM 0 HG LEU A 14 4.083 2.162 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.948 3.731 -2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.202 3.932 -1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.757 3.080 -1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.973 1.521 -3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.784 0.780 -2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.247 0.110 -3.116 1.00 0.00 H new ATOM 233 N LYS A 15 2.254 -0.752 1.072 1.00 0.00 N ATOM 234 CA LYS A 15 2.064 -1.619 2.223 1.00 0.00 C ATOM 235 C LYS A 15 1.725 -3.035 1.776 1.00 0.00 C ATOM 236 O LYS A 15 1.197 -3.238 0.680 1.00 0.00 O ATOM 237 CB LYS A 15 0.951 -1.069 3.119 1.00 0.00 C ATOM 238 CG LYS A 15 1.423 -0.658 4.504 1.00 0.00 C ATOM 239 CD LYS A 15 2.584 0.317 4.432 1.00 0.00 C ATOM 240 CE LYS A 15 2.111 1.759 4.518 1.00 0.00 C ATOM 241 NZ LYS A 15 3.246 2.721 4.462 1.00 0.00 N ATOM 0 H LYS A 15 1.390 -0.499 0.593 1.00 0.00 H new ATOM 0 HA LYS A 15 2.994 -1.649 2.791 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.497 -0.207 2.630 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.172 -1.825 3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.597 -0.202 5.050 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.725 -1.543 5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.282 0.113 5.244 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.128 0.167 3.500 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.421 1.964 3.699 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.557 1.905 5.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.966 3.615 4.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.065 2.321 4.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.500 2.900 3.470 1.00 0.00 H new ATOM 255 N TYR A 16 2.095 -4.003 2.596 1.00 0.00 N ATOM 256 CA TYR A 16 1.869 -5.401 2.289 1.00 0.00 C ATOM 257 C TYR A 16 0.594 -5.917 2.937 1.00 0.00 C ATOM 258 O TYR A 16 0.551 -6.172 4.142 1.00 0.00 O ATOM 259 CB TYR A 16 3.058 -6.245 2.744 1.00 0.00 C ATOM 260 CG TYR A 16 4.102 -6.431 1.672 1.00 0.00 C ATOM 261 CD1 TYR A 16 4.093 -5.645 0.533 1.00 0.00 C ATOM 262 CD2 TYR A 16 5.082 -7.408 1.788 1.00 0.00 C ATOM 263 CE1 TYR A 16 5.031 -5.822 -0.463 1.00 0.00 C ATOM 264 CE2 TYR A 16 6.027 -7.590 0.796 1.00 0.00 C ATOM 265 CZ TYR A 16 5.997 -6.795 -0.327 1.00 0.00 C ATOM 266 OH TYR A 16 6.934 -6.972 -1.318 1.00 0.00 O ATOM 0 H TYR A 16 2.559 -3.841 3.490 1.00 0.00 H new ATOM 0 HA TYR A 16 1.758 -5.485 1.208 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.519 -5.773 3.612 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.699 -7.223 3.065 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.339 -4.880 0.422 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.106 -8.035 2.667 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.008 -5.200 -1.346 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.785 -8.352 0.902 1.00 0.00 H new ATOM 0 HH TYR A 16 7.830 -6.986 -0.922 1.00 0.00 H new ATOM 276 N MET A 17 -0.412 -6.145 2.112 1.00 0.00 N ATOM 277 CA MET A 17 -1.659 -6.740 2.562 1.00 0.00 C ATOM 278 C MET A 17 -1.469 -8.236 2.748 1.00 0.00 C ATOM 279 O MET A 17 -0.678 -8.855 2.037 1.00 0.00 O ATOM 280 CB MET A 17 -2.769 -6.488 1.543 1.00 0.00 C ATOM 281 CG MET A 17 -3.184 -5.033 1.436 1.00 0.00 C ATOM 282 SD MET A 17 -2.058 -4.052 0.430 1.00 0.00 S ATOM 283 CE MET A 17 -1.869 -5.112 -1.000 1.00 0.00 C ATOM 0 H MET A 17 -0.389 -5.925 1.116 1.00 0.00 H new ATOM 0 HA MET A 17 -1.944 -6.285 3.510 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.436 -6.834 0.564 1.00 0.00 H new ATOM 0 HB3 MET A 17 -3.640 -7.085 1.813 1.00 0.00 H new ATOM 0 HG2 MET A 17 -4.186 -4.977 1.010 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.238 -4.602 2.436 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.648 -4.504 -1.877 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.052 -5.812 -0.828 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.793 -5.666 -1.167 1.00 0.00 H new ATOM 293 N LYS A 18 -2.170 -8.811 3.711 1.00 0.00 N ATOM 294 CA LYS A 18 -2.023 -10.231 4.002 1.00 0.00 C ATOM 295 C LYS A 18 -2.780 -11.076 2.987 1.00 0.00 C ATOM 296 O LYS A 18 -2.457 -12.240 2.771 1.00 0.00 O ATOM 297 CB LYS A 18 -2.522 -10.544 5.413 1.00 0.00 C ATOM 298 CG LYS A 18 -1.471 -11.190 6.299 1.00 0.00 C ATOM 299 CD LYS A 18 -0.794 -10.165 7.192 1.00 0.00 C ATOM 300 CE LYS A 18 0.672 -9.996 6.833 1.00 0.00 C ATOM 301 NZ LYS A 18 1.542 -10.013 8.038 1.00 0.00 N ATOM 0 H LYS A 18 -2.843 -8.322 4.302 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.963 -10.477 3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.863 -9.621 5.882 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.385 -11.206 5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.935 -11.961 6.914 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.724 -11.685 5.678 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.305 -9.207 7.100 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.881 -10.474 8.234 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.974 -10.794 6.155 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.809 -9.056 6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.535 -9.895 7.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.270 -9.236 8.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.431 -10.920 8.534 1.00 0.00 H new ATOM 315 N SER A 19 -3.766 -10.475 2.344 1.00 0.00 N ATOM 316 CA SER A 19 -4.548 -11.167 1.333 1.00 0.00 C ATOM 317 C SER A 19 -4.911 -10.214 0.198 1.00 0.00 C ATOM 318 O SER A 19 -4.990 -8.999 0.399 1.00 0.00 O ATOM 319 CB SER A 19 -5.818 -11.750 1.957 1.00 0.00 C ATOM 320 OG SER A 19 -5.553 -12.318 3.231 1.00 0.00 O ATOM 0 H SER A 19 -4.045 -9.507 2.504 1.00 0.00 H new ATOM 0 HA SER A 19 -3.949 -11.981 0.926 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.570 -10.967 2.055 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.234 -12.511 1.297 1.00 0.00 H new ATOM 0 HG SER A 19 -6.382 -12.681 3.606 1.00 0.00 H new ATOM 326 N ARG A 20 -5.204 -10.771 -0.970 1.00 0.00 N ATOM 327 CA ARG A 20 -5.643 -9.972 -2.107 1.00 0.00 C ATOM 328 C ARG A 20 -7.061 -9.475 -1.863 1.00 0.00 C ATOM 329 O ARG A 20 -7.416 -8.355 -2.232 1.00 0.00 O ATOM 330 CB ARG A 20 -5.583 -10.791 -3.397 1.00 0.00 C ATOM 331 CG ARG A 20 -5.027 -10.018 -4.580 1.00 0.00 C ATOM 332 CD ARG A 20 -5.302 -10.737 -5.891 1.00 0.00 C ATOM 333 NE ARG A 20 -6.363 -10.088 -6.651 1.00 0.00 N ATOM 334 CZ ARG A 20 -6.265 -9.747 -7.935 1.00 0.00 C ATOM 335 NH1 ARG A 20 -5.172 -10.050 -8.626 1.00 0.00 N ATOM 336 NH2 ARG A 20 -7.273 -9.129 -8.535 1.00 0.00 N ATOM 0 H ARG A 20 -5.146 -11.772 -1.155 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.976 -9.117 -2.216 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.967 -11.675 -3.229 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.585 -11.143 -3.642 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.472 -9.023 -4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.953 -9.883 -4.456 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.391 -10.764 -6.489 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.581 -11.771 -5.687 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.237 -9.881 -6.168 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.404 -10.546 -8.174 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.101 -9.787 -9.609 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.123 -8.915 -8.013 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.198 -8.868 -9.518 1.00 0.00 H new ATOM 350 N THR A 21 -7.823 -10.278 -1.130 1.00 0.00 N ATOM 351 CA THR A 21 -9.160 -9.912 -0.704 1.00 0.00 C ATOM 352 C THR A 21 -9.115 -8.708 0.238 1.00 0.00 C ATOM 353 O THR A 21 -9.974 -7.828 0.190 1.00 0.00 O ATOM 354 CB THR A 21 -9.805 -11.102 0.016 1.00 0.00 C ATOM 355 OG1 THR A 21 -8.768 -11.992 0.458 1.00 0.00 O ATOM 356 CG2 THR A 21 -10.753 -11.846 -0.907 1.00 0.00 C ATOM 0 H THR A 21 -7.527 -11.202 -0.816 1.00 0.00 H new ATOM 0 HA THR A 21 -9.748 -9.644 -1.582 1.00 0.00 H new ATOM 0 HB THR A 21 -10.378 -10.733 0.867 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.169 -12.757 0.922 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.197 -12.685 -0.372 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.541 -11.171 -1.241 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.203 -12.217 -1.772 1.00 0.00 H new ATOM 364 N ILE A 22 -8.052 -8.639 1.034 1.00 0.00 N ATOM 365 CA ILE A 22 -7.832 -7.514 1.928 1.00 0.00 C ATOM 366 C ILE A 22 -7.511 -6.255 1.123 1.00 0.00 C ATOM 367 O ILE A 22 -8.024 -5.175 1.413 1.00 0.00 O ATOM 368 CB ILE A 22 -6.687 -7.819 2.924 1.00 0.00 C ATOM 369 CG1 ILE A 22 -7.209 -8.667 4.084 1.00 0.00 C ATOM 370 CG2 ILE A 22 -6.052 -6.542 3.449 1.00 0.00 C ATOM 371 CD1 ILE A 22 -6.117 -9.306 4.916 1.00 0.00 C ATOM 0 H ILE A 22 -7.327 -9.355 1.076 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.746 -7.346 2.498 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.919 -8.378 2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.826 -8.042 4.730 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.855 -9.450 3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.252 -6.793 4.146 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.642 -5.971 2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.806 -5.945 3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.566 -9.891 5.719 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.514 -9.959 4.285 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.484 -8.529 5.344 1.00 0.00 H new ATOM 382 N LEU A 23 -6.709 -6.418 0.075 1.00 0.00 N ATOM 383 CA LEU A 23 -6.351 -5.307 -0.800 1.00 0.00 C ATOM 384 C LEU A 23 -7.591 -4.712 -1.460 1.00 0.00 C ATOM 385 O LEU A 23 -7.677 -3.498 -1.650 1.00 0.00 O ATOM 386 CB LEU A 23 -5.354 -5.769 -1.867 1.00 0.00 C ATOM 387 CG LEU A 23 -5.033 -4.736 -2.952 1.00 0.00 C ATOM 388 CD1 LEU A 23 -4.495 -3.448 -2.336 1.00 0.00 C ATOM 389 CD2 LEU A 23 -4.037 -5.313 -3.948 1.00 0.00 C ATOM 0 H LEU A 23 -6.294 -7.311 -0.189 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.883 -4.533 -0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.425 -6.054 -1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.749 -6.665 -2.346 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.955 -4.494 -3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.275 -2.731 -3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.242 -3.027 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.584 -3.664 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.817 -4.570 -4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.117 -5.582 -3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.463 -6.201 -4.416 1.00 0.00 H new ATOM 401 N GLN A 24 -8.566 -5.562 -1.755 1.00 0.00 N ATOM 402 CA GLN A 24 -9.816 -5.112 -2.352 1.00 0.00 C ATOM 403 C GLN A 24 -10.490 -4.073 -1.461 1.00 0.00 C ATOM 404 O GLN A 24 -10.970 -3.050 -1.943 1.00 0.00 O ATOM 405 CB GLN A 24 -10.758 -6.295 -2.583 1.00 0.00 C ATOM 406 CG GLN A 24 -10.302 -7.235 -3.688 1.00 0.00 C ATOM 407 CD GLN A 24 -9.732 -6.504 -4.887 1.00 0.00 C ATOM 408 OE1 GLN A 24 -10.371 -5.617 -5.456 1.00 0.00 O ATOM 409 NE2 GLN A 24 -8.523 -6.870 -5.280 1.00 0.00 N ATOM 0 H GLN A 24 -8.515 -6.567 -1.590 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.588 -4.654 -3.314 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.853 -6.859 -1.655 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -11.750 -5.915 -2.828 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.548 -7.915 -3.291 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.145 -7.846 -4.009 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.027 -7.609 -4.782 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.087 -6.413 -6.081 1.00 0.00 H new ATOM 418 N GLN A 25 -10.441 -4.303 -0.154 1.00 0.00 N ATOM 419 CA GLN A 25 -11.002 -3.364 0.811 1.00 0.00 C ATOM 420 C GLN A 25 -10.045 -2.198 1.033 1.00 0.00 C ATOM 421 O GLN A 25 -10.468 -1.054 1.181 1.00 0.00 O ATOM 422 CB GLN A 25 -11.293 -4.060 2.149 1.00 0.00 C ATOM 423 CG GLN A 25 -11.751 -5.506 2.014 1.00 0.00 C ATOM 424 CD GLN A 25 -12.938 -5.665 1.085 1.00 0.00 C ATOM 425 OE1 GLN A 25 -13.810 -4.798 1.006 1.00 0.00 O ATOM 426 NE2 GLN A 25 -12.976 -6.774 0.368 1.00 0.00 N ATOM 0 H GLN A 25 -10.018 -5.133 0.262 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.940 -2.985 0.406 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.393 -4.032 2.764 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.060 -3.496 2.680 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.923 -6.111 1.644 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.013 -5.892 2.999 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.234 -7.468 0.462 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.747 -6.936 -0.280 1.00 0.00 H new ATOM 435 N HIS A 26 -8.750 -2.503 1.037 1.00 0.00 N ATOM 436 CA HIS A 26 -7.717 -1.493 1.237 1.00 0.00 C ATOM 437 C HIS A 26 -7.817 -0.396 0.182 1.00 0.00 C ATOM 438 O HIS A 26 -7.684 0.786 0.492 1.00 0.00 O ATOM 439 CB HIS A 26 -6.317 -2.133 1.193 1.00 0.00 C ATOM 440 CG HIS A 26 -5.197 -1.136 1.286 1.00 0.00 C ATOM 441 ND1 HIS A 26 -4.575 -0.788 2.471 1.00 0.00 N ATOM 442 CD2 HIS A 26 -4.630 -0.358 0.320 1.00 0.00 C ATOM 443 CE1 HIS A 26 -3.680 0.176 2.198 1.00 0.00 C ATOM 444 NE2 HIS A 26 -3.685 0.460 0.916 1.00 0.00 N ATOM 0 H HIS A 26 -8.390 -3.448 0.903 1.00 0.00 H new ATOM 0 HA HIS A 26 -7.872 -1.047 2.220 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -6.227 -2.846 2.013 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.214 -2.698 0.266 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.762 -1.191 3.389 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -4.876 -0.377 -0.731 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -3.045 0.651 2.931 1.00 0.00 H new ATOM 452 N MET A 27 -8.014 -0.797 -1.067 1.00 0.00 N ATOM 453 CA MET A 27 -8.029 0.139 -2.185 1.00 0.00 C ATOM 454 C MET A 27 -9.276 1.011 -2.173 1.00 0.00 C ATOM 455 O MET A 27 -9.352 2.005 -2.888 1.00 0.00 O ATOM 456 CB MET A 27 -7.921 -0.611 -3.503 1.00 0.00 C ATOM 457 CG MET A 27 -6.486 -0.820 -3.960 1.00 0.00 C ATOM 458 SD MET A 27 -6.255 -0.488 -5.717 1.00 0.00 S ATOM 459 CE MET A 27 -4.752 -1.412 -6.032 1.00 0.00 C ATOM 0 H MET A 27 -8.167 -1.770 -1.333 1.00 0.00 H new ATOM 0 HA MET A 27 -7.166 0.796 -2.077 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.408 -1.581 -3.402 1.00 0.00 H new ATOM 0 HB3 MET A 27 -8.463 -0.061 -4.272 1.00 0.00 H new ATOM 0 HG2 MET A 27 -5.828 -0.171 -3.383 1.00 0.00 H new ATOM 0 HG3 MET A 27 -6.188 -1.847 -3.747 1.00 0.00 H new ATOM 0 HE1 MET A 27 -4.474 -1.308 -7.081 1.00 0.00 H new ATOM 0 HE2 MET A 27 -3.949 -1.026 -5.404 1.00 0.00 H new ATOM 0 HE3 MET A 27 -4.917 -2.465 -5.803 1.00 0.00 H new ATOM 469 N LYS A 28 -10.191 0.711 -1.271 1.00 0.00 N ATOM 470 CA LYS A 28 -11.329 1.589 -1.046 1.00 0.00 C ATOM 471 C LYS A 28 -10.859 2.832 -0.300 1.00 0.00 C ATOM 472 O LYS A 28 -11.125 3.960 -0.714 1.00 0.00 O ATOM 473 CB LYS A 28 -12.416 0.876 -0.246 1.00 0.00 C ATOM 474 CG LYS A 28 -13.567 0.378 -1.101 1.00 0.00 C ATOM 475 CD LYS A 28 -13.253 -0.976 -1.706 1.00 0.00 C ATOM 476 CE LYS A 28 -13.188 -0.911 -3.222 1.00 0.00 C ATOM 477 NZ LYS A 28 -13.040 -2.261 -3.826 1.00 0.00 N ATOM 0 H LYS A 28 -10.172 -0.125 -0.686 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.753 1.875 -2.009 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.973 0.031 0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.804 1.557 0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.470 0.308 -0.495 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.771 1.096 -1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.302 -1.337 -1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.015 -1.695 -1.405 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.093 -0.439 -3.605 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.349 -0.284 -3.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.763 -2.166 -4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.308 -2.793 -3.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.945 -2.770 -3.764 1.00 0.00 H new ATOM 491 N LYS A 29 -10.045 2.606 0.726 1.00 0.00 N ATOM 492 CA LYS A 29 -9.409 3.692 1.459 1.00 0.00 C ATOM 493 C LYS A 29 -8.266 4.267 0.634 1.00 0.00 C ATOM 494 O LYS A 29 -8.048 5.479 0.600 1.00 0.00 O ATOM 495 CB LYS A 29 -8.895 3.187 2.809 1.00 0.00 C ATOM 496 CG LYS A 29 -8.383 4.289 3.716 1.00 0.00 C ATOM 497 CD LYS A 29 -7.063 3.906 4.363 1.00 0.00 C ATOM 498 CE LYS A 29 -6.139 5.105 4.498 1.00 0.00 C ATOM 499 NZ LYS A 29 -6.806 6.258 5.160 1.00 0.00 N ATOM 0 H LYS A 29 -9.810 1.675 1.069 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.141 4.478 1.643 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.698 2.654 3.317 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.094 2.468 2.637 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.255 5.206 3.141 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.122 4.498 4.490 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.250 3.477 5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.575 3.135 3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.258 4.819 5.072 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.792 5.407 3.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.092 6.965 5.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.488 6.688 4.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.305 5.929 6.011 1.00 0.00 H new ATOM 513 N CYS A 30 -7.627 3.388 -0.127 1.00 0.00 N ATOM 514 CA CYS A 30 -6.589 3.768 -1.073 1.00 0.00 C ATOM 515 C CYS A 30 -7.228 4.204 -2.398 1.00 0.00 C ATOM 516 O CYS A 30 -6.729 3.904 -3.487 1.00 0.00 O ATOM 517 CB CYS A 30 -5.635 2.584 -1.287 1.00 0.00 C ATOM 518 SG CYS A 30 -3.890 3.054 -1.498 1.00 0.00 S ATOM 0 H CYS A 30 -7.816 2.386 -0.104 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.018 4.608 -0.677 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.716 1.909 -0.435 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -5.958 2.027 -2.167 1.00 0.00 H new ATOM 523 N GLY A 31 -8.372 4.860 -2.281 1.00 0.00 N ATOM 524 CA GLY A 31 -9.121 5.300 -3.438 1.00 0.00 C ATOM 525 C GLY A 31 -10.272 6.187 -3.028 1.00 0.00 C ATOM 526 O GLY A 31 -11.440 5.848 -3.231 1.00 0.00 O ATOM 0 H GLY A 31 -8.801 5.099 -1.387 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.463 5.842 -4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.499 4.435 -3.982 1.00 0.00 H new ATOM 530 N TRP A 32 -9.941 7.282 -2.362 1.00 0.00 N ATOM 531 CA TRP A 32 -10.938 8.197 -1.831 1.00 0.00 C ATOM 532 C TRP A 32 -11.516 9.073 -2.932 1.00 0.00 C ATOM 533 O TRP A 32 -12.701 9.411 -2.915 1.00 0.00 O ATOM 534 CB TRP A 32 -10.312 9.072 -0.751 1.00 0.00 C ATOM 535 CG TRP A 32 -10.892 8.829 0.600 1.00 0.00 C ATOM 536 CD1 TRP A 32 -10.510 7.872 1.494 1.00 0.00 C ATOM 537 CD2 TRP A 32 -11.970 9.542 1.206 1.00 0.00 C ATOM 538 NE1 TRP A 32 -11.284 7.948 2.621 1.00 0.00 N ATOM 539 CE2 TRP A 32 -12.190 8.965 2.469 1.00 0.00 C ATOM 540 CE3 TRP A 32 -12.772 10.615 0.806 1.00 0.00 C ATOM 541 CZ2 TRP A 32 -13.178 9.422 3.331 1.00 0.00 C ATOM 542 CZ3 TRP A 32 -13.754 11.068 1.666 1.00 0.00 C ATOM 543 CH2 TRP A 32 -13.949 10.472 2.917 1.00 0.00 C ATOM 0 H TRP A 32 -8.978 7.560 -2.175 1.00 0.00 H new ATOM 0 HA TRP A 32 -11.748 7.608 -1.401 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.238 8.888 -0.718 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.448 10.121 -1.016 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -9.714 7.159 1.336 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -11.200 7.346 3.440 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -12.627 11.081 -0.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -13.332 8.963 4.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -14.381 11.895 1.368 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -14.724 10.849 3.568 1.00 0.00 H new ATOM 554 N PHE A 33 -10.676 9.444 -3.881 1.00 0.00 N ATOM 555 CA PHE A 33 -11.096 10.284 -4.990 1.00 0.00 C ATOM 556 C PHE A 33 -10.653 9.668 -6.306 1.00 0.00 C ATOM 557 O PHE A 33 -10.924 10.260 -7.368 1.00 0.00 O ATOM 558 CB PHE A 33 -10.521 11.696 -4.836 1.00 0.00 C ATOM 559 CG PHE A 33 -11.124 12.470 -3.696 1.00 0.00 C ATOM 560 CD1 PHE A 33 -12.361 13.078 -3.832 1.00 0.00 C ATOM 561 CD2 PHE A 33 -10.453 12.584 -2.487 1.00 0.00 C ATOM 562 CE1 PHE A 33 -12.919 13.788 -2.785 1.00 0.00 C ATOM 563 CE2 PHE A 33 -11.006 13.292 -1.436 1.00 0.00 C ATOM 564 CZ PHE A 33 -12.242 13.894 -1.585 1.00 0.00 C ATOM 565 OXT PHE A 33 -10.038 8.583 -6.270 1.00 0.00 O ATOM 0 H PHE A 33 -9.692 9.175 -3.906 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.184 10.355 -4.987 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.443 11.626 -4.687 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.680 12.247 -5.763 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.896 12.997 -4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -9.488 12.114 -2.365 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -13.883 14.259 -2.905 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -10.473 13.375 -0.500 1.00 0.00 H new ATOM 0 HZ PHE A 33 -12.677 14.446 -0.765 1.00 0.00 H new TER 575 PHE A 33 HETATM 576 ZN ZN A 34 -2.578 1.800 -0.053 1.00 0.00 ZN