USER MOD reduce.3.24.130724 H: found=0, std=0, add=294, rem=0, adj=8 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= 0.145 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+ -146:sc= 1.24 (180deg=-0.335) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -166:sc= -0.879 (180deg=-0.943) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc=-0.00298 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.164 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 1.25 K(o=1.2,f=0) USER MOD Single : A 27 MET CE :methyl -157:sc= -0.0441 (180deg=-0.575) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.304 -10.553 3.791 1.00 0.00 N ATOM 2 CA GLY A 1 16.472 -10.648 2.322 1.00 0.00 C ATOM 3 C GLY A 1 16.357 -9.297 1.657 1.00 0.00 C ATOM 4 O GLY A 1 17.290 -8.492 1.708 1.00 0.00 O ATOM 0 H1 GLY A 1 16.389 -11.500 4.212 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.039 -9.931 4.185 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.366 -10.161 4.008 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.445 -11.084 2.095 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.718 -11.320 1.912 1.00 0.00 H new ATOM 10 N SER A 2 15.207 -9.031 1.056 1.00 0.00 N ATOM 11 CA SER A 2 14.961 -7.754 0.405 1.00 0.00 C ATOM 12 C SER A 2 14.723 -6.664 1.448 1.00 0.00 C ATOM 13 O SER A 2 15.501 -5.714 1.557 1.00 0.00 O ATOM 14 CB SER A 2 13.758 -7.879 -0.531 1.00 0.00 C ATOM 15 OG SER A 2 13.142 -9.153 -0.390 1.00 0.00 O ATOM 0 H SER A 2 14.427 -9.686 1.006 1.00 0.00 H new ATOM 0 HA SER A 2 15.836 -7.475 -0.182 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.035 -7.094 -0.310 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.078 -7.736 -1.563 1.00 0.00 H new ATOM 0 HG SER A 2 12.374 -9.214 -0.995 1.00 0.00 H new ATOM 21 N ARG A 3 13.696 -6.862 2.264 1.00 0.00 N ATOM 22 CA ARG A 3 13.369 -5.955 3.355 1.00 0.00 C ATOM 23 C ARG A 3 12.293 -6.588 4.230 1.00 0.00 C ATOM 24 O ARG A 3 12.592 -7.268 5.210 1.00 0.00 O ATOM 25 CB ARG A 3 12.881 -4.608 2.811 1.00 0.00 C ATOM 26 CG ARG A 3 13.241 -3.421 3.689 1.00 0.00 C ATOM 27 CD ARG A 3 14.706 -3.043 3.539 1.00 0.00 C ATOM 28 NE ARG A 3 15.089 -2.843 2.142 1.00 0.00 N ATOM 29 CZ ARG A 3 15.759 -1.783 1.692 1.00 0.00 C ATOM 30 NH1 ARG A 3 16.178 -0.847 2.539 1.00 0.00 N ATOM 31 NH2 ARG A 3 16.042 -1.683 0.401 1.00 0.00 N ATOM 0 H ARG A 3 13.064 -7.659 2.187 1.00 0.00 H new ATOM 0 HA ARG A 3 14.265 -5.777 3.949 1.00 0.00 H new ATOM 0 HB2 ARG A 3 13.303 -4.454 1.818 1.00 0.00 H new ATOM 0 HB3 ARG A 3 11.798 -4.646 2.694 1.00 0.00 H new ATOM 0 HG2 ARG A 3 12.615 -2.569 3.425 1.00 0.00 H new ATOM 0 HG3 ARG A 3 13.031 -3.661 4.731 1.00 0.00 H new ATOM 0 HD2 ARG A 3 14.902 -2.130 4.101 1.00 0.00 H new ATOM 0 HD3 ARG A 3 15.327 -3.826 3.975 1.00 0.00 H new ATOM 0 HE ARG A 3 14.826 -3.562 1.468 1.00 0.00 H new ATOM 0 HH11 ARG A 3 15.987 -0.939 3.537 1.00 0.00 H new ATOM 0 HH12 ARG A 3 16.691 -0.037 2.191 1.00 0.00 H new ATOM 0 HH21 ARG A 3 15.747 -2.416 -0.244 1.00 0.00 H new ATOM 0 HH22 ARG A 3 16.555 -0.873 0.053 1.00 0.00 H new ATOM 45 N LEU A 4 11.056 -6.489 3.769 1.00 0.00 N ATOM 46 CA LEU A 4 9.932 -7.152 4.405 1.00 0.00 C ATOM 47 C LEU A 4 9.364 -8.180 3.435 1.00 0.00 C ATOM 48 O LEU A 4 9.588 -8.068 2.228 1.00 0.00 O ATOM 49 CB LEU A 4 8.862 -6.119 4.777 1.00 0.00 C ATOM 50 CG LEU A 4 8.322 -6.221 6.203 1.00 0.00 C ATOM 51 CD1 LEU A 4 8.761 -5.023 7.031 1.00 0.00 C ATOM 52 CD2 LEU A 4 6.804 -6.339 6.188 1.00 0.00 C ATOM 0 H LEU A 4 10.804 -5.946 2.943 1.00 0.00 H new ATOM 0 HA LEU A 4 10.257 -7.652 5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.278 -5.122 4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.028 -6.218 4.082 1.00 0.00 H new ATOM 0 HG LEU A 4 8.732 -7.119 6.664 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.366 -5.115 8.043 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.850 -4.986 7.069 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.382 -4.108 6.576 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.435 -6.411 7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.375 -5.459 5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.514 -7.232 5.634 1.00 0.00 H new ATOM 64 N PRO A 5 8.677 -9.224 3.932 1.00 0.00 N ATOM 65 CA PRO A 5 8.089 -10.253 3.069 1.00 0.00 C ATOM 66 C PRO A 5 7.149 -9.639 2.037 1.00 0.00 C ATOM 67 O PRO A 5 6.347 -8.759 2.359 1.00 0.00 O ATOM 68 CB PRO A 5 7.319 -11.159 4.039 1.00 0.00 C ATOM 69 CG PRO A 5 7.205 -10.377 5.303 1.00 0.00 C ATOM 70 CD PRO A 5 8.420 -9.498 5.351 1.00 0.00 C ATOM 0 HA PRO A 5 8.843 -10.794 2.497 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.335 -11.412 3.643 1.00 0.00 H new ATOM 0 HB3 PRO A 5 7.848 -12.098 4.204 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.292 -9.782 5.314 1.00 0.00 H new ATOM 0 HG3 PRO A 5 7.166 -11.037 6.169 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.235 -8.583 5.913 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.264 -9.999 5.826 1.00 0.00 H new ATOM 78 N LYS A 6 7.324 -10.033 0.787 1.00 0.00 N ATOM 79 CA LYS A 6 6.568 -9.454 -0.309 1.00 0.00 C ATOM 80 C LYS A 6 5.162 -10.031 -0.367 1.00 0.00 C ATOM 81 O LYS A 6 4.895 -10.989 -1.093 1.00 0.00 O ATOM 82 CB LYS A 6 7.292 -9.683 -1.634 1.00 0.00 C ATOM 83 CG LYS A 6 8.148 -8.504 -2.060 1.00 0.00 C ATOM 84 CD LYS A 6 8.897 -8.800 -3.348 1.00 0.00 C ATOM 85 CE LYS A 6 9.180 -7.530 -4.128 1.00 0.00 C ATOM 86 NZ LYS A 6 10.029 -7.777 -5.323 1.00 0.00 N ATOM 0 H LYS A 6 7.987 -10.755 0.506 1.00 0.00 H new ATOM 0 HA LYS A 6 6.487 -8.381 -0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.922 -10.568 -1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.556 -9.889 -2.411 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.518 -7.626 -2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.860 -8.265 -1.270 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.836 -9.304 -3.117 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.311 -9.483 -3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.237 -7.082 -4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.675 -6.809 -3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.194 -6.880 -5.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.940 -8.180 -5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.547 -8.444 -5.959 1.00 0.00 H new ATOM 100 N LEU A 7 4.274 -9.439 0.419 1.00 0.00 N ATOM 101 CA LEU A 7 2.877 -9.847 0.466 1.00 0.00 C ATOM 102 C LEU A 7 2.112 -9.203 -0.690 1.00 0.00 C ATOM 103 O LEU A 7 2.683 -8.909 -1.740 1.00 0.00 O ATOM 104 CB LEU A 7 2.241 -9.415 1.794 1.00 0.00 C ATOM 105 CG LEU A 7 2.352 -10.391 2.970 1.00 0.00 C ATOM 106 CD1 LEU A 7 1.482 -11.616 2.736 1.00 0.00 C ATOM 107 CD2 LEU A 7 3.795 -10.803 3.211 1.00 0.00 C ATOM 0 H LEU A 7 4.501 -8.663 1.041 1.00 0.00 H new ATOM 0 HA LEU A 7 2.828 -10.933 0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.694 -8.470 2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.184 -9.219 1.615 1.00 0.00 H new ATOM 0 HG LEU A 7 1.995 -9.877 3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.576 -12.296 3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.442 -11.309 2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.804 -12.123 1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.840 -11.495 4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.188 -11.290 2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.393 -9.920 3.436 1.00 0.00 H new ATOM 119 N TYR A 8 0.855 -8.868 -0.443 1.00 0.00 N ATOM 120 CA TYR A 8 0.045 -8.157 -1.421 1.00 0.00 C ATOM 121 C TYR A 8 0.203 -6.653 -1.225 1.00 0.00 C ATOM 122 O TYR A 8 -0.522 -6.038 -0.447 1.00 0.00 O ATOM 123 CB TYR A 8 -1.427 -8.567 -1.294 1.00 0.00 C ATOM 124 CG TYR A 8 -1.645 -10.056 -1.444 1.00 0.00 C ATOM 125 CD1 TYR A 8 -1.339 -10.930 -0.409 1.00 0.00 C ATOM 126 CD2 TYR A 8 -2.144 -10.589 -2.624 1.00 0.00 C ATOM 127 CE1 TYR A 8 -1.519 -12.287 -0.544 1.00 0.00 C ATOM 128 CE2 TYR A 8 -2.328 -11.949 -2.768 1.00 0.00 C ATOM 129 CZ TYR A 8 -2.016 -12.795 -1.726 1.00 0.00 C ATOM 130 OH TYR A 8 -2.203 -14.151 -1.869 1.00 0.00 O ATOM 0 H TYR A 8 0.372 -9.078 0.430 1.00 0.00 H new ATOM 0 HA TYR A 8 0.385 -8.418 -2.423 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -1.804 -8.247 -0.323 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -2.010 -8.043 -2.051 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.952 -10.537 0.520 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -2.392 -9.929 -3.442 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.272 -12.951 0.271 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.715 -12.349 -3.694 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.561 -14.340 -2.762 1.00 0.00 H new ATOM 140 N LEU A 9 1.229 -6.102 -1.848 1.00 0.00 N ATOM 141 CA LEU A 9 1.556 -4.693 -1.699 1.00 0.00 C ATOM 142 C LEU A 9 0.721 -3.841 -2.644 1.00 0.00 C ATOM 143 O LEU A 9 0.539 -4.201 -3.810 1.00 0.00 O ATOM 144 CB LEU A 9 3.043 -4.483 -1.989 1.00 0.00 C ATOM 145 CG LEU A 9 3.530 -3.037 -1.927 1.00 0.00 C ATOM 146 CD1 LEU A 9 4.177 -2.759 -0.582 1.00 0.00 C ATOM 147 CD2 LEU A 9 4.514 -2.769 -3.051 1.00 0.00 C ATOM 0 H LEU A 9 1.857 -6.614 -2.468 1.00 0.00 H new ATOM 0 HA LEU A 9 1.333 -4.388 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.620 -5.073 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.261 -4.879 -2.981 1.00 0.00 H new ATOM 0 HG LEU A 9 2.674 -2.372 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.520 -1.725 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.450 -2.925 0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.026 -3.428 -0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.855 -1.735 -2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.369 -3.438 -2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.026 -2.941 -4.010 1.00 0.00 H new ATOM 159 N CYS A 10 0.199 -2.728 -2.139 1.00 0.00 N ATOM 160 CA CYS A 10 -0.602 -1.836 -2.932 1.00 0.00 C ATOM 161 C CYS A 10 0.247 -1.039 -3.916 1.00 0.00 C ATOM 162 O CYS A 10 1.345 -1.439 -4.297 1.00 0.00 O ATOM 163 CB CYS A 10 -1.340 -0.882 -2.009 1.00 0.00 C ATOM 164 SG CYS A 10 -0.858 -0.988 -0.265 1.00 0.00 S ATOM 0 H CYS A 10 0.325 -2.430 -1.172 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.308 -2.432 -3.510 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.175 0.138 -2.356 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.410 -1.076 -2.088 1.00 0.00 H new ATOM 169 N GLU A 11 -0.285 0.097 -4.313 1.00 0.00 N ATOM 170 CA GLU A 11 0.375 0.968 -5.274 1.00 0.00 C ATOM 171 C GLU A 11 0.260 2.427 -4.849 1.00 0.00 C ATOM 172 O GLU A 11 0.713 3.327 -5.558 1.00 0.00 O ATOM 173 CB GLU A 11 -0.244 0.787 -6.662 1.00 0.00 C ATOM 174 CG GLU A 11 -0.016 -0.591 -7.266 1.00 0.00 C ATOM 175 CD GLU A 11 1.291 -0.685 -8.028 1.00 0.00 C ATOM 176 OE1 GLU A 11 2.185 0.153 -7.795 1.00 0.00 O ATOM 177 OE2 GLU A 11 1.431 -1.596 -8.873 1.00 0.00 O ATOM 0 H GLU A 11 -1.185 0.446 -3.982 1.00 0.00 H new ATOM 0 HA GLU A 11 1.430 0.696 -5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.316 0.971 -6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.169 1.540 -7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.024 -1.337 -6.472 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.841 -0.831 -7.937 1.00 0.00 H new ATOM 184 N PHE A 12 -0.397 2.665 -3.722 1.00 0.00 N ATOM 185 CA PHE A 12 -0.620 4.026 -3.252 1.00 0.00 C ATOM 186 C PHE A 12 0.119 4.280 -1.940 1.00 0.00 C ATOM 187 O PHE A 12 1.074 5.054 -1.905 1.00 0.00 O ATOM 188 CB PHE A 12 -2.120 4.302 -3.093 1.00 0.00 C ATOM 189 CG PHE A 12 -2.967 3.684 -4.176 1.00 0.00 C ATOM 190 CD1 PHE A 12 -3.132 4.322 -5.394 1.00 0.00 C ATOM 191 CD2 PHE A 12 -3.595 2.463 -3.974 1.00 0.00 C ATOM 192 CE1 PHE A 12 -3.905 3.755 -6.389 1.00 0.00 C ATOM 193 CE2 PHE A 12 -4.369 1.892 -4.966 1.00 0.00 C ATOM 194 CZ PHE A 12 -4.525 2.539 -6.174 1.00 0.00 C ATOM 0 H PHE A 12 -0.783 1.938 -3.119 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.222 4.712 -3.999 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.450 3.923 -2.125 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.284 5.380 -3.086 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.651 5.273 -5.568 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.477 1.953 -3.029 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.025 4.262 -7.335 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.851 0.941 -4.796 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.131 2.096 -6.951 1.00 0.00 H new ATOM 204 N CYS A 13 -0.270 3.572 -0.883 1.00 0.00 N ATOM 205 CA CYS A 13 0.419 3.688 0.395 1.00 0.00 C ATOM 206 C CYS A 13 1.536 2.666 0.455 1.00 0.00 C ATOM 207 O CYS A 13 2.483 2.795 1.234 1.00 0.00 O ATOM 208 CB CYS A 13 -0.560 3.513 1.571 1.00 0.00 C ATOM 209 SG CYS A 13 -0.694 1.816 2.235 1.00 0.00 S ATOM 0 H CYS A 13 -1.052 2.918 -0.887 1.00 0.00 H new ATOM 0 HA CYS A 13 0.847 4.687 0.480 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.253 4.178 2.379 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -1.549 3.838 1.249 1.00 0.00 H new ATOM 214 N LEU A 14 1.431 1.684 -0.430 1.00 0.00 N ATOM 215 CA LEU A 14 2.415 0.629 -0.570 1.00 0.00 C ATOM 216 C LEU A 14 2.611 -0.122 0.742 1.00 0.00 C ATOM 217 O LEU A 14 3.631 0.030 1.423 1.00 0.00 O ATOM 218 CB LEU A 14 3.747 1.185 -1.079 1.00 0.00 C ATOM 219 CG LEU A 14 3.651 2.009 -2.363 1.00 0.00 C ATOM 220 CD1 LEU A 14 4.702 3.103 -2.369 1.00 0.00 C ATOM 221 CD2 LEU A 14 3.802 1.111 -3.579 1.00 0.00 C ATOM 0 H LEU A 14 0.648 1.600 -1.078 1.00 0.00 H new ATOM 0 HA LEU A 14 2.037 -0.078 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.187 1.805 -0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.431 0.353 -1.249 1.00 0.00 H new ATOM 0 HG LEU A 14 2.668 2.479 -2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.621 3.681 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.548 3.760 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.694 2.655 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.731 1.712 -4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.772 0.615 -3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.011 0.361 -3.578 1.00 0.00 H new ATOM 233 N LYS A 15 1.635 -0.947 1.075 1.00 0.00 N ATOM 234 CA LYS A 15 1.693 -1.758 2.284 1.00 0.00 C ATOM 235 C LYS A 15 1.405 -3.220 1.955 1.00 0.00 C ATOM 236 O LYS A 15 0.615 -3.519 1.063 1.00 0.00 O ATOM 237 CB LYS A 15 0.695 -1.238 3.322 1.00 0.00 C ATOM 238 CG LYS A 15 1.295 -0.987 4.701 1.00 0.00 C ATOM 239 CD LYS A 15 2.524 -0.088 4.636 1.00 0.00 C ATOM 240 CE LYS A 15 2.150 1.364 4.381 1.00 0.00 C ATOM 241 NZ LYS A 15 3.241 2.098 3.689 1.00 0.00 N ATOM 0 H LYS A 15 0.787 -1.075 0.523 1.00 0.00 H new ATOM 0 HA LYS A 15 2.697 -1.688 2.703 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.258 -0.309 2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.118 -1.957 3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.544 -0.528 5.345 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.567 -1.939 5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.078 -0.162 5.572 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.188 -0.437 3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.243 1.406 3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.925 1.854 5.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.257 3.085 4.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.153 1.647 3.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.077 2.076 2.662 1.00 0.00 H new ATOM 255 N TYR A 16 2.086 -4.126 2.642 1.00 0.00 N ATOM 256 CA TYR A 16 1.934 -5.547 2.388 1.00 0.00 C ATOM 257 C TYR A 16 0.685 -6.091 3.067 1.00 0.00 C ATOM 258 O TYR A 16 0.633 -6.200 4.293 1.00 0.00 O ATOM 259 CB TYR A 16 3.169 -6.296 2.885 1.00 0.00 C ATOM 260 CG TYR A 16 4.406 -6.023 2.062 1.00 0.00 C ATOM 261 CD1 TYR A 16 4.413 -6.247 0.694 1.00 0.00 C ATOM 262 CD2 TYR A 16 5.563 -5.540 2.656 1.00 0.00 C ATOM 263 CE1 TYR A 16 5.545 -6.002 -0.064 1.00 0.00 C ATOM 264 CE2 TYR A 16 6.698 -5.292 1.907 1.00 0.00 C ATOM 265 CZ TYR A 16 6.685 -5.525 0.548 1.00 0.00 C ATOM 266 OH TYR A 16 7.819 -5.281 -0.201 1.00 0.00 O ATOM 0 H TYR A 16 2.751 -3.899 3.382 1.00 0.00 H new ATOM 0 HA TYR A 16 1.829 -5.696 1.313 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.362 -6.017 3.921 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.964 -7.367 2.876 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.521 -6.619 0.212 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.577 -5.355 3.720 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.535 -6.183 -1.129 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.591 -4.917 2.384 1.00 0.00 H new ATOM 0 HH TYR A 16 8.532 -4.947 0.383 1.00 0.00 H new ATOM 276 N MET A 17 -0.315 -6.429 2.267 1.00 0.00 N ATOM 277 CA MET A 17 -1.554 -6.992 2.789 1.00 0.00 C ATOM 278 C MET A 17 -1.461 -8.508 2.837 1.00 0.00 C ATOM 279 O MET A 17 -0.723 -9.112 2.064 1.00 0.00 O ATOM 280 CB MET A 17 -2.752 -6.569 1.935 1.00 0.00 C ATOM 281 CG MET A 17 -3.032 -5.077 1.984 1.00 0.00 C ATOM 282 SD MET A 17 -3.514 -4.517 3.627 1.00 0.00 S ATOM 283 CE MET A 17 -2.209 -3.343 3.973 1.00 0.00 C ATOM 0 H MET A 17 -0.294 -6.324 1.253 1.00 0.00 H new ATOM 0 HA MET A 17 -1.701 -6.609 3.799 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.573 -6.864 0.901 1.00 0.00 H new ATOM 0 HB3 MET A 17 -3.637 -7.108 2.272 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.143 -4.533 1.665 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.824 -4.836 1.275 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.216 -3.094 5.034 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.246 -3.781 3.709 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.369 -2.438 3.387 1.00 0.00 H new ATOM 293 N LYS A 18 -2.153 -9.109 3.792 1.00 0.00 N ATOM 294 CA LYS A 18 -2.058 -10.549 4.012 1.00 0.00 C ATOM 295 C LYS A 18 -2.892 -11.332 3.007 1.00 0.00 C ATOM 296 O LYS A 18 -2.611 -12.499 2.733 1.00 0.00 O ATOM 297 CB LYS A 18 -2.511 -10.894 5.431 1.00 0.00 C ATOM 298 CG LYS A 18 -1.402 -11.474 6.292 1.00 0.00 C ATOM 299 CD LYS A 18 -0.287 -10.466 6.513 1.00 0.00 C ATOM 300 CE LYS A 18 1.012 -11.147 6.902 1.00 0.00 C ATOM 301 NZ LYS A 18 1.897 -10.246 7.686 1.00 0.00 N ATOM 0 H LYS A 18 -2.787 -8.625 4.428 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.014 -10.832 3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.900 -9.995 5.909 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.332 -11.609 5.379 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.810 -11.784 7.254 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.998 -12.367 5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.136 -9.885 5.603 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.579 -9.765 7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.793 -12.040 7.487 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.533 -11.475 6.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.774 -10.749 7.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.127 -9.406 7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.410 -9.953 8.557 1.00 0.00 H new ATOM 315 N SER A 19 -3.929 -10.702 2.477 1.00 0.00 N ATOM 316 CA SER A 19 -4.813 -11.363 1.530 1.00 0.00 C ATOM 317 C SER A 19 -5.143 -10.451 0.356 1.00 0.00 C ATOM 318 O SER A 19 -5.177 -9.224 0.502 1.00 0.00 O ATOM 319 CB SER A 19 -6.103 -11.797 2.226 1.00 0.00 C ATOM 320 OG SER A 19 -5.843 -12.285 3.533 1.00 0.00 O ATOM 0 H SER A 19 -4.179 -9.735 2.686 1.00 0.00 H new ATOM 0 HA SER A 19 -4.296 -12.242 1.147 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.791 -10.954 2.280 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.594 -12.572 1.637 1.00 0.00 H new ATOM 0 HG SER A 19 -6.685 -12.554 3.955 1.00 0.00 H new ATOM 326 N ARG A 20 -5.438 -11.059 -0.786 1.00 0.00 N ATOM 327 CA ARG A 20 -5.841 -10.319 -1.974 1.00 0.00 C ATOM 328 C ARG A 20 -7.153 -9.589 -1.716 1.00 0.00 C ATOM 329 O ARG A 20 -7.297 -8.413 -2.045 1.00 0.00 O ATOM 330 CB ARG A 20 -6.001 -11.268 -3.164 1.00 0.00 C ATOM 331 CG ARG A 20 -5.405 -10.733 -4.455 1.00 0.00 C ATOM 332 CD ARG A 20 -5.112 -11.856 -5.435 1.00 0.00 C ATOM 333 NE ARG A 20 -4.026 -11.508 -6.348 1.00 0.00 N ATOM 334 CZ ARG A 20 -4.191 -11.262 -7.646 1.00 0.00 C ATOM 335 NH1 ARG A 20 -5.392 -11.367 -8.207 1.00 0.00 N ATOM 336 NH2 ARG A 20 -3.144 -10.916 -8.388 1.00 0.00 N ATOM 0 H ARG A 20 -5.405 -12.070 -0.914 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.066 -9.589 -2.207 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.529 -12.221 -2.924 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.061 -11.467 -3.319 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.095 -10.022 -4.909 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.486 -10.190 -4.236 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.849 -12.760 -4.885 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.011 -12.082 -6.008 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.082 -11.450 -5.967 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.197 -11.638 -7.642 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.508 -11.176 -9.202 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.220 -10.840 -7.962 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.264 -10.726 -9.383 1.00 0.00 H new ATOM 350 N THR A 21 -8.073 -10.278 -1.049 1.00 0.00 N ATOM 351 CA THR A 21 -9.360 -9.711 -0.679 1.00 0.00 C ATOM 352 C THR A 21 -9.188 -8.497 0.234 1.00 0.00 C ATOM 353 O THR A 21 -9.873 -7.484 0.072 1.00 0.00 O ATOM 354 CB THR A 21 -10.209 -10.772 0.034 1.00 0.00 C ATOM 355 OG1 THR A 21 -9.351 -11.817 0.518 1.00 0.00 O ATOM 356 CG2 THR A 21 -11.245 -11.358 -0.909 1.00 0.00 C ATOM 0 H THR A 21 -7.945 -11.245 -0.751 1.00 0.00 H new ATOM 0 HA THR A 21 -9.862 -9.387 -1.591 1.00 0.00 H new ATOM 0 HB THR A 21 -10.731 -10.302 0.868 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.889 -12.496 0.976 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.835 -12.108 -0.381 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.902 -10.565 -1.266 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.743 -11.823 -1.758 1.00 0.00 H new ATOM 364 N ILE A 22 -8.206 -8.575 1.133 1.00 0.00 N ATOM 365 CA ILE A 22 -7.886 -7.467 2.014 1.00 0.00 C ATOM 366 C ILE A 22 -7.379 -6.284 1.200 1.00 0.00 C ATOM 367 O ILE A 22 -7.886 -5.174 1.330 1.00 0.00 O ATOM 368 CB ILE A 22 -6.822 -7.867 3.062 1.00 0.00 C ATOM 369 CG1 ILE A 22 -7.413 -8.846 4.078 1.00 0.00 C ATOM 370 CG2 ILE A 22 -6.278 -6.637 3.768 1.00 0.00 C ATOM 371 CD1 ILE A 22 -6.393 -9.401 5.047 1.00 0.00 C ATOM 0 H ILE A 22 -7.621 -9.400 1.265 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.798 -7.188 2.542 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.999 -8.359 2.544 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.200 -8.343 4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.882 -9.672 3.544 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.531 -6.939 4.502 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.820 -5.971 3.037 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.092 -6.117 4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.883 -10.087 5.738 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.618 -9.933 4.495 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.941 -8.583 5.608 1.00 0.00 H new ATOM 382 N LEU A 23 -6.418 -6.547 0.318 1.00 0.00 N ATOM 383 CA LEU A 23 -5.860 -5.508 -0.541 1.00 0.00 C ATOM 384 C LEU A 23 -6.940 -4.890 -1.427 1.00 0.00 C ATOM 385 O LEU A 23 -6.915 -3.696 -1.702 1.00 0.00 O ATOM 386 CB LEU A 23 -4.734 -6.075 -1.409 1.00 0.00 C ATOM 387 CG LEU A 23 -4.012 -5.051 -2.296 1.00 0.00 C ATOM 388 CD1 LEU A 23 -3.268 -4.037 -1.441 1.00 0.00 C ATOM 389 CD2 LEU A 23 -3.055 -5.744 -3.253 1.00 0.00 C ATOM 0 H LEU A 23 -6.010 -7.472 0.180 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.453 -4.728 0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.000 -6.550 -0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.147 -6.856 -2.047 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.761 -4.524 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.762 -3.319 -2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.976 -3.513 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.532 -4.552 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.555 -4.998 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.311 -6.301 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.612 -6.430 -3.891 1.00 0.00 H new ATOM 401 N GLN A 24 -7.881 -5.715 -1.870 1.00 0.00 N ATOM 402 CA GLN A 24 -8.972 -5.255 -2.722 1.00 0.00 C ATOM 403 C GLN A 24 -9.798 -4.184 -2.018 1.00 0.00 C ATOM 404 O GLN A 24 -10.120 -3.151 -2.607 1.00 0.00 O ATOM 405 CB GLN A 24 -9.866 -6.431 -3.117 1.00 0.00 C ATOM 406 CG GLN A 24 -9.951 -6.650 -4.617 1.00 0.00 C ATOM 407 CD GLN A 24 -11.214 -6.072 -5.221 1.00 0.00 C ATOM 408 OE1 GLN A 24 -11.266 -4.895 -5.582 1.00 0.00 O ATOM 409 NE2 GLN A 24 -12.242 -6.895 -5.333 1.00 0.00 N ATOM 0 H GLN A 24 -7.911 -6.711 -1.652 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.539 -4.818 -3.622 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -9.488 -7.339 -2.646 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -10.869 -6.262 -2.725 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.083 -6.196 -5.096 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.909 -7.719 -4.827 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.157 -7.863 -5.022 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -13.120 -6.563 -5.731 1.00 0.00 H new ATOM 418 N GLN A 25 -10.095 -4.416 -0.746 1.00 0.00 N ATOM 419 CA GLN A 25 -10.861 -3.464 0.046 1.00 0.00 C ATOM 420 C GLN A 25 -9.979 -2.306 0.499 1.00 0.00 C ATOM 421 O GLN A 25 -10.390 -1.144 0.469 1.00 0.00 O ATOM 422 CB GLN A 25 -11.468 -4.158 1.267 1.00 0.00 C ATOM 423 CG GLN A 25 -12.600 -5.113 0.934 1.00 0.00 C ATOM 424 CD GLN A 25 -12.775 -6.188 1.986 1.00 0.00 C ATOM 425 OE1 GLN A 25 -13.656 -6.100 2.842 1.00 0.00 O ATOM 426 NE2 GLN A 25 -11.935 -7.206 1.931 1.00 0.00 N ATOM 0 H GLN A 25 -9.816 -5.257 -0.240 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.663 -3.070 -0.578 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.684 -4.708 1.787 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.837 -3.400 1.957 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.529 -4.551 0.834 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.405 -5.581 -0.031 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.220 -7.238 1.204 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.002 -7.960 2.615 1.00 0.00 H new ATOM 435 N HIS A 26 -8.775 -2.639 0.947 1.00 0.00 N ATOM 436 CA HIS A 26 -7.829 -1.651 1.448 1.00 0.00 C ATOM 437 C HIS A 26 -7.506 -0.616 0.372 1.00 0.00 C ATOM 438 O HIS A 26 -7.344 0.562 0.676 1.00 0.00 O ATOM 439 CB HIS A 26 -6.543 -2.346 1.938 1.00 0.00 C ATOM 440 CG HIS A 26 -5.358 -1.434 2.080 1.00 0.00 C ATOM 441 ND1 HIS A 26 -5.004 -0.791 3.257 1.00 0.00 N ATOM 442 CD2 HIS A 26 -4.445 -1.046 1.152 1.00 0.00 C ATOM 443 CE1 HIS A 26 -3.912 -0.045 3.003 1.00 0.00 C ATOM 444 NE2 HIS A 26 -3.552 -0.176 1.747 1.00 0.00 N ATOM 0 H HIS A 26 -8.428 -3.598 0.973 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.286 -1.131 2.290 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -6.743 -2.814 2.902 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.289 -3.145 1.242 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -5.484 -0.869 4.153 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -4.421 -1.365 0.120 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -3.405 0.573 3.729 1.00 0.00 H new ATOM 452 N MET A 27 -7.395 -1.067 -0.876 1.00 0.00 N ATOM 453 CA MET A 27 -7.026 -0.189 -1.988 1.00 0.00 C ATOM 454 C MET A 27 -8.019 0.956 -2.168 1.00 0.00 C ATOM 455 O MET A 27 -7.675 2.000 -2.722 1.00 0.00 O ATOM 456 CB MET A 27 -6.910 -0.986 -3.288 1.00 0.00 C ATOM 457 CG MET A 27 -5.514 -1.526 -3.540 1.00 0.00 C ATOM 458 SD MET A 27 -5.332 -2.239 -5.184 1.00 0.00 S ATOM 459 CE MET A 27 -3.570 -2.041 -5.438 1.00 0.00 C ATOM 0 H MET A 27 -7.556 -2.038 -1.144 1.00 0.00 H new ATOM 0 HA MET A 27 -6.057 0.246 -1.744 1.00 0.00 H new ATOM 0 HB2 MET A 27 -7.614 -1.818 -3.260 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.202 -0.349 -4.123 1.00 0.00 H new ATOM 0 HG2 MET A 27 -4.789 -0.721 -3.415 1.00 0.00 H new ATOM 0 HG3 MET A 27 -5.281 -2.284 -2.792 1.00 0.00 H new ATOM 0 HE1 MET A 27 -3.354 -2.040 -6.506 1.00 0.00 H new ATOM 0 HE2 MET A 27 -3.243 -1.097 -5.001 1.00 0.00 H new ATOM 0 HE3 MET A 27 -3.039 -2.865 -4.961 1.00 0.00 H new ATOM 469 N LYS A 28 -9.219 0.794 -1.627 1.00 0.00 N ATOM 470 CA LYS A 28 -10.219 1.852 -1.674 1.00 0.00 C ATOM 471 C LYS A 28 -9.836 2.984 -0.727 1.00 0.00 C ATOM 472 O LYS A 28 -10.013 4.157 -1.042 1.00 0.00 O ATOM 473 CB LYS A 28 -11.597 1.305 -1.304 1.00 0.00 C ATOM 474 CG LYS A 28 -12.462 0.970 -2.507 1.00 0.00 C ATOM 475 CD LYS A 28 -12.015 -0.321 -3.171 1.00 0.00 C ATOM 476 CE LYS A 28 -12.203 -0.270 -4.678 1.00 0.00 C ATOM 477 NZ LYS A 28 -12.208 -1.627 -5.282 1.00 0.00 N ATOM 0 H LYS A 28 -9.523 -0.056 -1.152 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.260 2.241 -2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.472 0.409 -0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.116 2.038 -0.687 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.502 0.879 -2.194 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.416 1.786 -3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.966 -0.505 -2.941 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.582 -1.157 -2.761 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.141 0.234 -4.910 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.404 0.323 -5.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.339 -1.549 -6.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.303 -2.099 -5.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.986 -2.185 -4.876 1.00 0.00 H new ATOM 491 N LYS A 29 -9.241 2.619 0.401 1.00 0.00 N ATOM 492 CA LYS A 29 -8.764 3.596 1.372 1.00 0.00 C ATOM 493 C LYS A 29 -7.351 4.040 1.018 1.00 0.00 C ATOM 494 O LYS A 29 -6.963 5.186 1.257 1.00 0.00 O ATOM 495 CB LYS A 29 -8.793 3.004 2.784 1.00 0.00 C ATOM 496 CG LYS A 29 -10.109 2.329 3.137 1.00 0.00 C ATOM 497 CD LYS A 29 -9.914 0.860 3.469 1.00 0.00 C ATOM 498 CE LYS A 29 -9.904 0.624 4.972 1.00 0.00 C ATOM 499 NZ LYS A 29 -11.276 0.470 5.524 1.00 0.00 N ATOM 0 H LYS A 29 -9.076 1.648 0.667 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.423 4.463 1.345 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.985 2.278 2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.597 3.797 3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.562 2.838 3.988 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.803 2.425 2.302 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.712 0.274 3.013 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.976 0.510 3.039 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.322 -0.271 5.194 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.407 1.459 5.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.221 0.311 6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.825 1.333 5.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.743 -0.342 5.072 1.00 0.00 H new ATOM 513 N CYS A 30 -6.605 3.129 0.408 1.00 0.00 N ATOM 514 CA CYS A 30 -5.252 3.399 -0.050 1.00 0.00 C ATOM 515 C CYS A 30 -5.262 4.536 -1.072 1.00 0.00 C ATOM 516 O CYS A 30 -4.510 5.504 -0.949 1.00 0.00 O ATOM 517 CB CYS A 30 -4.656 2.126 -0.663 1.00 0.00 C ATOM 518 SG CYS A 30 -2.837 2.107 -0.777 1.00 0.00 S ATOM 0 H CYS A 30 -6.924 2.179 0.217 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.636 3.705 0.796 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.977 1.270 -0.070 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -5.069 1.994 -1.663 1.00 0.00 H new ATOM 523 N GLY A 31 -6.167 4.443 -2.040 1.00 0.00 N ATOM 524 CA GLY A 31 -6.299 5.484 -3.045 1.00 0.00 C ATOM 525 C GLY A 31 -7.078 6.684 -2.539 1.00 0.00 C ATOM 526 O GLY A 31 -7.170 7.708 -3.219 1.00 0.00 O ATOM 0 H GLY A 31 -6.815 3.662 -2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.307 5.806 -3.362 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.798 5.075 -3.924 1.00 0.00 H new ATOM 530 N TRP A 32 -7.624 6.572 -1.336 1.00 0.00 N ATOM 531 CA TRP A 32 -8.377 7.661 -0.734 1.00 0.00 C ATOM 532 C TRP A 32 -7.449 8.655 -0.054 1.00 0.00 C ATOM 533 O TRP A 32 -7.667 9.865 -0.115 1.00 0.00 O ATOM 534 CB TRP A 32 -9.381 7.120 0.274 1.00 0.00 C ATOM 535 CG TRP A 32 -10.774 7.503 -0.074 1.00 0.00 C ATOM 536 CD1 TRP A 32 -11.462 7.136 -1.191 1.00 0.00 C ATOM 537 CD2 TRP A 32 -11.643 8.355 0.677 1.00 0.00 C ATOM 538 NE1 TRP A 32 -12.709 7.699 -1.178 1.00 0.00 N ATOM 539 CE2 TRP A 32 -12.842 8.452 -0.044 1.00 0.00 C ATOM 540 CE3 TRP A 32 -11.524 9.040 1.889 1.00 0.00 C ATOM 541 CZ2 TRP A 32 -13.913 9.207 0.401 1.00 0.00 C ATOM 542 CZ3 TRP A 32 -12.595 9.792 2.332 1.00 0.00 C ATOM 543 CH2 TRP A 32 -13.776 9.870 1.588 1.00 0.00 C ATOM 0 H TRP A 32 -7.559 5.735 -0.757 1.00 0.00 H new ATOM 0 HA TRP A 32 -8.913 8.177 -1.530 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.303 6.034 0.317 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.138 7.497 1.267 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -11.080 6.495 -1.972 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -13.423 7.577 -1.896 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -10.614 8.983 2.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -14.827 9.270 -0.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -12.519 10.327 3.267 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -14.597 10.466 1.959 1.00 0.00 H new ATOM 554 N PHE A 33 -6.418 8.138 0.597 1.00 0.00 N ATOM 555 CA PHE A 33 -5.456 8.977 1.293 1.00 0.00 C ATOM 556 C PHE A 33 -4.045 8.662 0.815 1.00 0.00 C ATOM 557 O PHE A 33 -3.448 7.687 1.319 1.00 0.00 O ATOM 558 CB PHE A 33 -5.562 8.767 2.804 1.00 0.00 C ATOM 559 CG PHE A 33 -6.848 9.271 3.393 1.00 0.00 C ATOM 560 CD1 PHE A 33 -7.094 10.630 3.492 1.00 0.00 C ATOM 561 CD2 PHE A 33 -7.813 8.385 3.845 1.00 0.00 C ATOM 562 CE1 PHE A 33 -8.278 11.098 4.031 1.00 0.00 C ATOM 563 CE2 PHE A 33 -8.997 8.846 4.384 1.00 0.00 C ATOM 564 CZ PHE A 33 -9.229 10.204 4.478 1.00 0.00 C ATOM 565 OXT PHE A 33 -3.550 9.372 -0.084 1.00 0.00 O ATOM 0 H PHE A 33 -6.226 7.138 0.657 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.678 10.021 1.072 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -5.465 7.704 3.022 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.727 9.270 3.292 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.352 11.333 3.144 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.637 7.322 3.775 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -8.458 12.161 4.102 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -9.741 8.145 4.732 1.00 0.00 H new ATOM 0 HZ PHE A 33 -10.154 10.566 4.901 1.00 0.00 H new TER 575 PHE A 33 HETATM 576 ZN ZN A 34 -2.046 0.652 0.790 1.00 0.00 ZN