USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 532 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 TYR OH : rot -50:sc= -2.76! USER MOD Set 1.2: A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 163:sc= -5.62! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.908 K(o=-0.91,f=0) USER MOD Single : A 22 GLN : amide:sc= -6.57! C(o=-6.6!,f=-16!) USER MOD Single : A 24 SER OG : rot -66:sc= 1.2 USER MOD Single : A 25 LYS NZ :NH3+ 143:sc= -0.156 (180deg=-0.905) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0604 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.88! K(o=-2.9!,f=-0.93) USER MOD Single : A 62 SER OG : rot 180:sc= -0.177 USER MOD Single : A 67 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.41) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 40 N SER A 2 11.552 7.747 6.096 1.00 0.00 N ATOM 41 CA SER A 2 11.971 8.246 7.428 1.00 0.00 C ATOM 42 C SER A 2 12.842 7.130 8.034 1.00 0.00 C ATOM 43 O SER A 2 13.328 6.313 7.284 1.00 0.00 O ATOM 44 CB SER A 2 10.722 8.526 8.264 1.00 0.00 C ATOM 45 OG SER A 2 10.320 7.338 8.914 1.00 0.00 O ATOM 0 HA SER A 2 12.537 9.177 7.383 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.929 9.304 8.999 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.919 8.895 7.626 1.00 0.00 H new ATOM 0 HG SER A 2 9.707 7.557 9.647 1.00 0.00 H new ATOM 51 N PRO A 3 13.053 7.108 9.332 1.00 0.00 N ATOM 52 CA PRO A 3 13.893 6.056 9.957 1.00 0.00 C ATOM 53 C PRO A 3 13.238 4.648 9.933 1.00 0.00 C ATOM 54 O PRO A 3 13.025 4.059 10.975 1.00 0.00 O ATOM 55 CB PRO A 3 14.067 6.517 11.411 1.00 0.00 C ATOM 56 CG PRO A 3 13.244 7.816 11.602 1.00 0.00 C ATOM 57 CD PRO A 3 12.532 8.118 10.277 1.00 0.00 C ATOM 0 HA PRO A 3 14.829 5.946 9.410 1.00 0.00 H new ATOM 0 HB2 PRO A 3 13.725 5.744 12.099 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.119 6.697 11.631 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.519 7.694 12.406 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.896 8.643 11.883 1.00 0.00 H new ATOM 0 HD2 PRO A 3 11.450 8.041 10.382 1.00 0.00 H new ATOM 0 HD3 PRO A 3 12.747 9.130 9.934 1.00 0.00 H new ATOM 65 N GLU A 4 12.946 4.078 8.777 1.00 0.00 N ATOM 66 CA GLU A 4 12.356 2.717 8.731 1.00 0.00 C ATOM 67 C GLU A 4 10.887 2.781 9.110 1.00 0.00 C ATOM 68 O GLU A 4 10.429 2.048 9.964 1.00 0.00 O ATOM 69 CB GLU A 4 13.099 1.791 9.701 1.00 0.00 C ATOM 70 CG GLU A 4 14.611 2.012 9.579 1.00 0.00 C ATOM 71 CD GLU A 4 15.345 0.995 10.455 1.00 0.00 C ATOM 72 OE1 GLU A 4 14.778 -0.056 10.709 1.00 0.00 O ATOM 73 OE2 GLU A 4 16.459 1.283 10.860 1.00 0.00 O ATOM 0 H GLU A 4 13.097 4.511 7.866 1.00 0.00 H new ATOM 0 HA GLU A 4 12.450 2.323 7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.776 1.986 10.723 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.856 0.751 9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.923 1.906 8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.868 3.026 9.887 1.00 0.00 H new ATOM 80 N GLU A 5 10.134 3.652 8.500 1.00 0.00 N ATOM 81 CA GLU A 5 8.692 3.720 8.876 1.00 0.00 C ATOM 82 C GLU A 5 7.818 3.088 7.792 1.00 0.00 C ATOM 83 O GLU A 5 6.913 2.324 8.063 1.00 0.00 O ATOM 84 CB GLU A 5 8.307 5.171 9.048 1.00 0.00 C ATOM 85 CG GLU A 5 7.479 5.339 10.322 1.00 0.00 C ATOM 86 CD GLU A 5 8.393 5.767 11.472 1.00 0.00 C ATOM 87 OE1 GLU A 5 9.531 5.326 11.494 1.00 0.00 O ATOM 88 OE2 GLU A 5 7.941 6.528 12.312 1.00 0.00 O ATOM 0 H GLU A 5 10.441 4.303 7.777 1.00 0.00 H new ATOM 0 HA GLU A 5 8.538 3.170 9.805 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.202 5.791 9.101 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.735 5.510 8.184 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.699 6.085 10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.979 4.403 10.570 1.00 0.00 H new ATOM 95 N LEU A 6 8.099 3.412 6.573 1.00 0.00 N ATOM 96 CA LEU A 6 7.319 2.862 5.416 1.00 0.00 C ATOM 97 C LEU A 6 7.888 1.518 4.955 1.00 0.00 C ATOM 98 O LEU A 6 7.151 0.602 4.659 1.00 0.00 O ATOM 99 CB LEU A 6 7.197 3.949 4.314 1.00 0.00 C ATOM 100 CG LEU A 6 7.559 3.487 2.892 1.00 0.00 C ATOM 101 CD1 LEU A 6 7.010 2.097 2.571 1.00 0.00 C ATOM 102 CD2 LEU A 6 6.956 4.460 1.886 1.00 0.00 C ATOM 0 H LEU A 6 8.852 4.049 6.311 1.00 0.00 H new ATOM 0 HA LEU A 6 6.298 2.625 5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.173 4.323 4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.841 4.787 4.581 1.00 0.00 H new ATOM 0 HG LEU A 6 8.647 3.455 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.294 1.819 1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.421 1.372 3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.923 2.107 2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.208 4.140 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.872 4.478 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.356 5.459 2.061 1.00 0.00 H new ATOM 114 N LYS A 7 9.177 1.365 4.892 1.00 0.00 N ATOM 115 CA LYS A 7 9.727 0.052 4.451 1.00 0.00 C ATOM 116 C LYS A 7 9.167 -1.064 5.348 1.00 0.00 C ATOM 117 O LYS A 7 9.288 -2.234 5.043 1.00 0.00 O ATOM 118 CB LYS A 7 11.255 0.071 4.553 1.00 0.00 C ATOM 119 CG LYS A 7 11.846 -0.904 3.532 1.00 0.00 C ATOM 120 CD LYS A 7 13.372 -0.905 3.648 1.00 0.00 C ATOM 121 CE LYS A 7 13.988 -0.820 2.251 1.00 0.00 C ATOM 122 NZ LYS A 7 15.378 -0.292 2.349 1.00 0.00 N ATOM 0 H LYS A 7 9.868 2.079 5.122 1.00 0.00 H new ATOM 0 HA LYS A 7 9.438 -0.131 3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.630 1.078 4.370 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.567 -0.207 5.560 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.457 -1.908 3.705 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.548 -0.616 2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.702 -0.062 4.255 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.709 -1.811 4.151 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.994 -1.805 1.785 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.385 -0.171 1.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.795 -0.235 1.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.360 0.656 2.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.950 -0.928 2.941 1.00 0.00 H new ATOM 136 N GLY A 8 8.572 -0.711 6.459 1.00 0.00 N ATOM 137 CA GLY A 8 8.022 -1.743 7.384 1.00 0.00 C ATOM 138 C GLY A 8 6.743 -2.382 6.821 1.00 0.00 C ATOM 139 O GLY A 8 6.550 -3.576 6.933 1.00 0.00 O ATOM 0 H GLY A 8 8.444 0.253 6.765 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.771 -2.516 7.555 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.807 -1.288 8.351 1.00 0.00 H new ATOM 143 N ILE A 9 5.854 -1.616 6.235 1.00 0.00 N ATOM 144 CA ILE A 9 4.603 -2.233 5.707 1.00 0.00 C ATOM 145 C ILE A 9 4.955 -3.269 4.659 1.00 0.00 C ATOM 146 O ILE A 9 4.580 -4.409 4.754 1.00 0.00 O ATOM 147 CB ILE A 9 3.678 -1.169 5.107 1.00 0.00 C ATOM 148 CG1 ILE A 9 2.622 -1.839 4.223 1.00 0.00 C ATOM 149 CG2 ILE A 9 4.453 -0.108 4.324 1.00 0.00 C ATOM 150 CD1 ILE A 9 3.166 -2.049 2.819 1.00 0.00 C ATOM 0 H ILE A 9 5.940 -0.608 6.102 1.00 0.00 H new ATOM 0 HA ILE A 9 4.075 -2.712 6.531 1.00 0.00 H new ATOM 0 HB ILE A 9 3.182 -0.653 5.929 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.331 -2.797 4.655 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.725 -1.221 4.184 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.756 0.625 3.917 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.158 0.391 4.988 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.997 -0.583 3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.405 -2.526 2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.434 -1.086 2.385 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.049 -2.686 2.863 1.00 0.00 H new ATOM 162 N PHE A 10 5.679 -2.886 3.668 1.00 0.00 N ATOM 163 CA PHE A 10 6.063 -3.869 2.627 1.00 0.00 C ATOM 164 C PHE A 10 6.418 -5.242 3.217 1.00 0.00 C ATOM 165 O PHE A 10 5.605 -6.140 3.254 1.00 0.00 O ATOM 166 CB PHE A 10 7.222 -3.325 1.794 1.00 0.00 C ATOM 167 CG PHE A 10 6.800 -3.150 0.367 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.513 -2.729 0.016 1.00 0.00 C ATOM 169 CD2 PHE A 10 7.716 -3.505 -0.619 1.00 0.00 C ATOM 170 CE1 PHE A 10 5.155 -2.671 -1.341 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.368 -3.434 -1.958 1.00 0.00 C ATOM 172 CZ PHE A 10 6.093 -3.025 -2.327 1.00 0.00 C ATOM 0 H PHE A 10 6.026 -1.937 3.526 1.00 0.00 H new ATOM 0 HA PHE A 10 5.195 -4.018 1.985 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.555 -2.370 2.201 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.070 -4.008 1.848 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.802 -2.452 0.780 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.704 -3.838 -0.338 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.162 -2.355 -1.626 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.090 -3.697 -2.717 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.822 -2.979 -3.371 1.00 0.00 H new ATOM 182 N GLU A 11 7.616 -5.423 3.668 1.00 0.00 N ATOM 183 CA GLU A 11 8.019 -6.749 4.244 1.00 0.00 C ATOM 184 C GLU A 11 6.883 -7.324 5.105 1.00 0.00 C ATOM 185 O GLU A 11 6.787 -8.515 5.320 1.00 0.00 O ATOM 186 CB GLU A 11 9.262 -6.561 5.119 1.00 0.00 C ATOM 187 CG GLU A 11 10.494 -6.360 4.234 1.00 0.00 C ATOM 188 CD GLU A 11 11.708 -6.053 5.112 1.00 0.00 C ATOM 189 OE1 GLU A 11 11.521 -5.452 6.158 1.00 0.00 O ATOM 190 OE2 GLU A 11 12.805 -6.421 4.723 1.00 0.00 O ATOM 0 H GLU A 11 8.348 -4.713 3.668 1.00 0.00 H new ATOM 0 HA GLU A 11 8.233 -7.439 3.428 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.130 -5.700 5.775 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.402 -7.431 5.760 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.678 -7.255 3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.322 -5.543 3.534 1.00 0.00 H new ATOM 197 N LYS A 12 6.038 -6.471 5.600 1.00 0.00 N ATOM 198 CA LYS A 12 4.898 -6.920 6.459 1.00 0.00 C ATOM 199 C LYS A 12 3.716 -7.372 5.593 1.00 0.00 C ATOM 200 O LYS A 12 3.511 -8.547 5.363 1.00 0.00 O ATOM 201 CB LYS A 12 4.456 -5.762 7.355 1.00 0.00 C ATOM 202 CG LYS A 12 3.246 -6.194 8.184 1.00 0.00 C ATOM 203 CD LYS A 12 3.720 -6.710 9.542 1.00 0.00 C ATOM 204 CE LYS A 12 2.569 -6.636 10.545 1.00 0.00 C ATOM 205 NZ LYS A 12 3.119 -6.659 11.929 1.00 0.00 N ATOM 0 H LYS A 12 6.084 -5.464 5.447 1.00 0.00 H new ATOM 0 HA LYS A 12 5.227 -7.761 7.069 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.273 -5.464 8.012 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.203 -4.894 6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.565 -5.354 8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.691 -6.972 7.660 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.071 -7.738 9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.563 -6.116 9.895 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.991 -5.725 10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.889 -7.475 10.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.338 -6.609 12.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.652 -7.540 12.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.751 -5.845 12.065 1.00 0.00 H new ATOM 219 N TYR A 13 2.925 -6.437 5.126 1.00 0.00 N ATOM 220 CA TYR A 13 1.746 -6.790 4.294 1.00 0.00 C ATOM 221 C TYR A 13 2.212 -7.156 2.888 1.00 0.00 C ATOM 222 O TYR A 13 1.666 -8.046 2.266 1.00 0.00 O ATOM 223 CB TYR A 13 0.797 -5.592 4.235 1.00 0.00 C ATOM 224 CG TYR A 13 0.565 -5.081 5.639 1.00 0.00 C ATOM 225 CD1 TYR A 13 0.463 -5.988 6.699 1.00 0.00 C ATOM 226 CD2 TYR A 13 0.464 -3.705 5.881 1.00 0.00 C ATOM 227 CE1 TYR A 13 0.257 -5.522 8.002 1.00 0.00 C ATOM 228 CE2 TYR A 13 0.261 -3.239 7.187 1.00 0.00 C ATOM 229 CZ TYR A 13 0.158 -4.150 8.246 1.00 0.00 C ATOM 230 OH TYR A 13 -0.038 -3.696 9.533 1.00 0.00 O ATOM 0 H TYR A 13 3.052 -5.438 5.290 1.00 0.00 H new ATOM 0 HA TYR A 13 1.224 -7.642 4.730 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.222 -4.805 3.613 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.149 -5.883 3.779 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.543 -7.049 6.511 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.542 -3.005 5.063 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.174 -6.223 8.819 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.184 -2.179 7.377 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.785 -4.181 9.941 1.00 0.00 H new ATOM 240 N ALA A 14 3.236 -6.521 2.378 1.00 0.00 N ATOM 241 CA ALA A 14 3.709 -6.930 1.030 1.00 0.00 C ATOM 242 C ALA A 14 4.113 -8.400 1.141 1.00 0.00 C ATOM 243 O ALA A 14 4.129 -9.134 0.174 1.00 0.00 O ATOM 244 CB ALA A 14 4.928 -6.090 0.596 1.00 0.00 C ATOM 0 H ALA A 14 3.749 -5.760 2.823 1.00 0.00 H new ATOM 0 HA ALA A 14 2.926 -6.779 0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.255 -6.408 -0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.651 -5.036 0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.740 -6.231 1.310 1.00 0.00 H new ATOM 250 N ASP A 15 4.453 -8.824 2.341 1.00 0.00 N ATOM 251 CA ASP A 15 4.878 -10.236 2.560 1.00 0.00 C ATOM 252 C ASP A 15 3.642 -11.108 2.810 1.00 0.00 C ATOM 253 O ASP A 15 3.673 -12.311 2.644 1.00 0.00 O ATOM 254 CB ASP A 15 5.804 -10.320 3.782 1.00 0.00 C ATOM 255 CG ASP A 15 6.206 -11.777 4.017 1.00 0.00 C ATOM 256 OD1 ASP A 15 7.157 -12.218 3.389 1.00 0.00 O ATOM 257 OD2 ASP A 15 5.560 -12.427 4.821 1.00 0.00 O ATOM 0 H ASP A 15 4.452 -8.243 3.179 1.00 0.00 H new ATOM 0 HA ASP A 15 5.410 -10.588 1.676 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.692 -9.708 3.622 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.298 -9.924 4.663 1.00 0.00 H new ATOM 262 N LYS A 16 2.556 -10.505 3.223 1.00 0.00 N ATOM 263 CA LYS A 16 1.318 -11.286 3.499 1.00 0.00 C ATOM 264 C LYS A 16 0.876 -12.026 2.239 1.00 0.00 C ATOM 265 O LYS A 16 0.303 -13.094 2.306 1.00 0.00 O ATOM 266 CB LYS A 16 0.207 -10.330 3.937 1.00 0.00 C ATOM 267 CG LYS A 16 -0.558 -10.940 5.110 1.00 0.00 C ATOM 268 CD LYS A 16 0.268 -10.794 6.388 1.00 0.00 C ATOM 269 CE LYS A 16 -0.638 -10.981 7.605 1.00 0.00 C ATOM 270 NZ LYS A 16 -0.711 -12.428 7.952 1.00 0.00 N ATOM 0 H LYS A 16 2.476 -9.500 3.381 1.00 0.00 H new ATOM 0 HA LYS A 16 1.519 -12.010 4.288 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.633 -9.369 4.227 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.472 -10.140 3.106 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.521 -10.443 5.228 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.764 -11.993 4.916 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.070 -11.532 6.402 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.739 -9.811 6.419 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.251 -10.412 8.451 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.635 -10.596 7.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.327 -12.556 8.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.099 -12.959 7.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.242 -12.781 8.172 1.00 0.00 H new ATOM 284 N GLU A 17 1.134 -11.470 1.088 1.00 0.00 N ATOM 285 CA GLU A 17 0.718 -12.153 -0.169 1.00 0.00 C ATOM 286 C GLU A 17 1.726 -13.256 -0.493 1.00 0.00 C ATOM 287 O GLU A 17 1.441 -14.179 -1.229 1.00 0.00 O ATOM 288 CB GLU A 17 0.676 -11.137 -1.314 1.00 0.00 C ATOM 289 CG GLU A 17 2.102 -10.788 -1.751 1.00 0.00 C ATOM 290 CD GLU A 17 2.053 -9.763 -2.885 1.00 0.00 C ATOM 291 OE1 GLU A 17 1.136 -9.840 -3.686 1.00 0.00 O ATOM 292 OE2 GLU A 17 2.934 -8.921 -2.934 1.00 0.00 O ATOM 0 H GLU A 17 1.612 -10.578 0.963 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.273 -12.589 -0.043 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.118 -11.547 -2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.153 -10.236 -0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.664 -10.386 -0.908 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.622 -11.687 -2.082 1.00 0.00 H new ATOM 299 N GLY A 18 2.902 -13.162 0.058 1.00 0.00 N ATOM 300 CA GLY A 18 3.937 -14.196 -0.206 1.00 0.00 C ATOM 301 C GLY A 18 5.190 -13.519 -0.758 1.00 0.00 C ATOM 302 O GLY A 18 5.663 -13.850 -1.827 1.00 0.00 O ATOM 0 H GLY A 18 3.192 -12.410 0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.174 -14.734 0.712 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.562 -14.931 -0.918 1.00 0.00 H new ATOM 306 N ASP A 19 5.732 -12.575 -0.038 1.00 0.00 N ATOM 307 CA ASP A 19 6.955 -11.881 -0.532 1.00 0.00 C ATOM 308 C ASP A 19 7.347 -10.736 0.408 1.00 0.00 C ATOM 309 O ASP A 19 8.219 -10.879 1.243 1.00 0.00 O ATOM 310 CB ASP A 19 6.695 -11.332 -1.939 1.00 0.00 C ATOM 311 CG ASP A 19 7.934 -11.550 -2.809 1.00 0.00 C ATOM 312 OD1 ASP A 19 8.999 -11.106 -2.413 1.00 0.00 O ATOM 313 OD2 ASP A 19 7.797 -12.160 -3.857 1.00 0.00 O ATOM 0 H ASP A 19 5.383 -12.256 0.866 1.00 0.00 H new ATOM 0 HA ASP A 19 7.777 -12.597 -0.562 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.834 -11.832 -2.382 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.456 -10.270 -1.888 1.00 0.00 H new ATOM 318 N GLY A 20 6.747 -9.594 0.251 1.00 0.00 N ATOM 319 CA GLY A 20 7.118 -8.428 1.099 1.00 0.00 C ATOM 320 C GLY A 20 7.694 -7.361 0.179 1.00 0.00 C ATOM 321 O GLY A 20 7.866 -6.220 0.557 1.00 0.00 O ATOM 0 H GLY A 20 6.011 -9.415 -0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.246 -8.047 1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.849 -8.719 1.854 1.00 0.00 H new ATOM 325 N ASN A 21 8.000 -7.735 -1.037 1.00 0.00 N ATOM 326 CA ASN A 21 8.567 -6.767 -1.989 1.00 0.00 C ATOM 327 C ASN A 21 7.476 -6.208 -2.925 1.00 0.00 C ATOM 328 O ASN A 21 7.750 -5.399 -3.787 1.00 0.00 O ATOM 329 CB ASN A 21 9.648 -7.476 -2.804 1.00 0.00 C ATOM 330 CG ASN A 21 10.994 -7.308 -2.108 1.00 0.00 C ATOM 331 OD1 ASN A 21 12.017 -7.189 -2.752 1.00 0.00 O ATOM 332 ND2 ASN A 21 11.035 -7.291 -0.805 1.00 0.00 N ATOM 0 H ASN A 21 7.876 -8.679 -1.402 1.00 0.00 H new ATOM 0 HA ASN A 21 8.994 -5.926 -1.443 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.408 -8.534 -2.906 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.692 -7.061 -3.811 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.927 -7.178 -0.324 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.175 -7.391 -0.266 1.00 0.00 H new ATOM 339 N GLN A 22 6.241 -6.614 -2.754 1.00 0.00 N ATOM 340 CA GLN A 22 5.137 -6.085 -3.620 1.00 0.00 C ATOM 341 C GLN A 22 3.837 -6.063 -2.813 1.00 0.00 C ATOM 342 O GLN A 22 3.705 -6.732 -1.809 1.00 0.00 O ATOM 343 CB GLN A 22 4.955 -6.952 -4.867 1.00 0.00 C ATOM 344 CG GLN A 22 6.316 -7.347 -5.430 1.00 0.00 C ATOM 345 CD GLN A 22 6.837 -8.551 -4.654 1.00 0.00 C ATOM 346 OE1 GLN A 22 6.314 -8.887 -3.610 1.00 0.00 O ATOM 347 NE2 GLN A 22 7.849 -9.222 -5.116 1.00 0.00 N ATOM 0 H GLN A 22 5.948 -7.291 -2.050 1.00 0.00 H new ATOM 0 HA GLN A 22 5.396 -5.077 -3.943 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.382 -7.845 -4.619 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.385 -6.407 -5.619 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.231 -7.589 -6.489 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.014 -6.514 -5.348 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.290 -8.942 -5.992 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.203 -10.029 -4.603 1.00 0.00 H new ATOM 356 N LEU A 23 2.895 -5.260 -3.220 1.00 0.00 N ATOM 357 CA LEU A 23 1.626 -5.142 -2.451 1.00 0.00 C ATOM 358 C LEU A 23 0.396 -5.549 -3.278 1.00 0.00 C ATOM 359 O LEU A 23 0.495 -6.074 -4.366 1.00 0.00 O ATOM 360 CB LEU A 23 1.494 -3.681 -2.037 1.00 0.00 C ATOM 361 CG LEU A 23 1.937 -3.547 -0.590 1.00 0.00 C ATOM 362 CD1 LEU A 23 1.917 -2.077 -0.180 1.00 0.00 C ATOM 363 CD2 LEU A 23 0.993 -4.342 0.317 1.00 0.00 C ATOM 0 H LEU A 23 2.950 -4.678 -4.056 1.00 0.00 H new ATOM 0 HA LEU A 23 1.664 -5.814 -1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.106 -3.048 -2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.462 -3.347 -2.150 1.00 0.00 H new ATOM 0 HG LEU A 23 2.949 -3.938 -0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.235 -1.985 0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.595 -1.512 -0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.906 -1.683 -0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.315 -4.243 1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.021 -3.957 0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.013 -5.393 0.030 1.00 0.00 H new ATOM 375 N SER A 24 -0.767 -5.295 -2.738 1.00 0.00 N ATOM 376 CA SER A 24 -2.033 -5.607 -3.408 1.00 0.00 C ATOM 377 C SER A 24 -3.092 -4.743 -2.711 1.00 0.00 C ATOM 378 O SER A 24 -2.823 -4.149 -1.686 1.00 0.00 O ATOM 379 CB SER A 24 -2.348 -7.097 -3.247 1.00 0.00 C ATOM 380 OG SER A 24 -1.997 -7.783 -4.441 1.00 0.00 O ATOM 0 H SER A 24 -0.879 -4.865 -1.820 1.00 0.00 H new ATOM 0 HA SER A 24 -1.999 -5.400 -4.478 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.796 -7.508 -2.402 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.408 -7.235 -3.033 1.00 0.00 H new ATOM 0 HG SER A 24 -2.584 -7.492 -5.170 1.00 0.00 H new ATOM 386 N LYS A 25 -4.271 -4.648 -3.235 1.00 0.00 N ATOM 387 CA LYS A 25 -5.306 -3.804 -2.574 1.00 0.00 C ATOM 388 C LYS A 25 -5.688 -4.420 -1.227 1.00 0.00 C ATOM 389 O LYS A 25 -6.148 -3.741 -0.330 1.00 0.00 O ATOM 390 CB LYS A 25 -6.544 -3.719 -3.466 1.00 0.00 C ATOM 391 CG LYS A 25 -7.159 -2.321 -3.355 1.00 0.00 C ATOM 392 CD LYS A 25 -7.567 -1.831 -4.745 1.00 0.00 C ATOM 393 CE LYS A 25 -8.670 -2.734 -5.303 1.00 0.00 C ATOM 394 NZ LYS A 25 -9.810 -2.778 -4.344 1.00 0.00 N ATOM 0 H LYS A 25 -4.570 -5.115 -4.091 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.906 -2.803 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.274 -3.928 -4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.272 -4.473 -3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.028 -2.346 -2.697 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.442 -1.631 -2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.919 -0.801 -4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.705 -1.838 -5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.008 -2.359 -6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.282 -3.739 -5.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.706 -2.805 -4.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.731 -3.628 -3.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.789 -1.931 -3.741 1.00 0.00 H new ATOM 408 N GLU A 26 -5.505 -5.703 -1.077 1.00 0.00 N ATOM 409 CA GLU A 26 -5.861 -6.362 0.210 1.00 0.00 C ATOM 410 C GLU A 26 -4.749 -6.137 1.240 1.00 0.00 C ATOM 411 O GLU A 26 -4.793 -6.666 2.334 1.00 0.00 O ATOM 412 CB GLU A 26 -6.037 -7.863 -0.023 1.00 0.00 C ATOM 413 CG GLU A 26 -7.523 -8.182 -0.198 1.00 0.00 C ATOM 414 CD GLU A 26 -7.856 -9.481 0.539 1.00 0.00 C ATOM 415 OE1 GLU A 26 -7.064 -9.887 1.372 1.00 0.00 O ATOM 416 OE2 GLU A 26 -8.899 -10.047 0.256 1.00 0.00 O ATOM 0 H GLU A 26 -5.124 -6.324 -1.791 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.790 -5.933 0.587 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.481 -8.172 -0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.631 -8.423 0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.130 -7.365 0.192 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.763 -8.280 -1.257 1.00 0.00 H new ATOM 423 N GLU A 27 -3.747 -5.370 0.902 1.00 0.00 N ATOM 424 CA GLU A 27 -2.638 -5.135 1.872 1.00 0.00 C ATOM 425 C GLU A 27 -2.338 -3.637 1.988 1.00 0.00 C ATOM 426 O GLU A 27 -1.400 -3.237 2.649 1.00 0.00 O ATOM 427 CB GLU A 27 -1.386 -5.873 1.394 1.00 0.00 C ATOM 428 CG GLU A 27 -1.613 -7.381 1.504 1.00 0.00 C ATOM 429 CD GLU A 27 -1.445 -8.024 0.127 1.00 0.00 C ATOM 430 OE1 GLU A 27 -0.328 -8.044 -0.365 1.00 0.00 O ATOM 431 OE2 GLU A 27 -2.436 -8.487 -0.413 1.00 0.00 O ATOM 0 H GLU A 27 -3.648 -4.899 0.003 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.937 -5.508 2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.162 -5.602 0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.525 -5.579 1.995 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.904 -7.816 2.209 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.612 -7.582 1.891 1.00 0.00 H new ATOM 438 N LEU A 28 -3.141 -2.806 1.388 1.00 0.00 N ATOM 439 CA LEU A 28 -2.922 -1.351 1.501 1.00 0.00 C ATOM 440 C LEU A 28 -3.811 -0.900 2.655 1.00 0.00 C ATOM 441 O LEU A 28 -3.402 -0.193 3.554 1.00 0.00 O ATOM 442 CB LEU A 28 -3.322 -0.710 0.169 1.00 0.00 C ATOM 443 CG LEU A 28 -4.000 0.630 0.407 1.00 0.00 C ATOM 444 CD1 LEU A 28 -3.079 1.533 1.230 1.00 0.00 C ATOM 445 CD2 LEU A 28 -4.305 1.298 -0.935 1.00 0.00 C ATOM 0 H LEU A 28 -3.944 -3.080 0.822 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.888 -1.068 1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.439 -0.572 -0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.995 -1.374 -0.374 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.931 0.470 0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.567 2.493 1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.867 1.060 2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.146 1.691 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.791 2.258 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.376 1.455 -1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.966 0.657 -1.519 1.00 0.00 H new ATOM 457 N LYS A 29 -5.015 -1.384 2.644 1.00 0.00 N ATOM 458 CA LYS A 29 -5.970 -1.128 3.705 1.00 0.00 C ATOM 459 C LYS A 29 -5.327 -1.507 5.042 1.00 0.00 C ATOM 460 O LYS A 29 -5.281 -0.722 5.967 1.00 0.00 O ATOM 461 CB LYS A 29 -7.129 -2.050 3.418 1.00 0.00 C ATOM 462 CG LYS A 29 -8.241 -1.702 4.362 1.00 0.00 C ATOM 463 CD LYS A 29 -9.564 -2.166 3.770 1.00 0.00 C ATOM 464 CE LYS A 29 -10.586 -2.422 4.903 1.00 0.00 C ATOM 465 NZ LYS A 29 -11.885 -2.849 4.309 1.00 0.00 N ATOM 0 H LYS A 29 -5.376 -1.975 1.895 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.282 -0.085 3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.457 -1.939 2.385 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.830 -3.090 3.548 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.075 -2.177 5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.264 -0.626 4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.950 -1.412 3.084 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.414 -3.077 3.191 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.212 -3.191 5.579 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.724 -1.517 5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.574 -3.022 5.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.242 -2.101 3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.746 -3.723 3.762 1.00 0.00 H new ATOM 479 N LEU A 30 -4.814 -2.712 5.140 1.00 0.00 N ATOM 480 CA LEU A 30 -4.154 -3.147 6.408 1.00 0.00 C ATOM 481 C LEU A 30 -3.131 -2.086 6.807 1.00 0.00 C ATOM 482 O LEU A 30 -2.857 -1.867 7.971 1.00 0.00 O ATOM 483 CB LEU A 30 -3.442 -4.486 6.186 1.00 0.00 C ATOM 484 CG LEU A 30 -4.396 -5.635 6.512 1.00 0.00 C ATOM 485 CD1 LEU A 30 -5.746 -5.389 5.834 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.803 -6.952 6.003 1.00 0.00 C ATOM 0 H LEU A 30 -4.825 -3.410 4.396 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.899 -3.268 7.195 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.104 -4.563 5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.555 -4.547 6.817 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.537 -5.692 7.591 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.425 -6.209 6.067 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.170 -4.452 6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.606 -5.330 4.755 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.483 -7.771 6.236 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.660 -6.894 4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.843 -7.130 6.487 1.00 0.00 H new ATOM 498 N LEU A 31 -2.587 -1.414 5.835 1.00 0.00 N ATOM 499 CA LEU A 31 -1.599 -0.339 6.106 1.00 0.00 C ATOM 500 C LEU A 31 -2.288 0.730 6.933 1.00 0.00 C ATOM 501 O LEU A 31 -1.914 1.015 8.049 1.00 0.00 O ATOM 502 CB LEU A 31 -1.163 0.281 4.783 1.00 0.00 C ATOM 503 CG LEU A 31 0.205 0.945 4.949 1.00 0.00 C ATOM 504 CD1 LEU A 31 0.891 1.046 3.587 1.00 0.00 C ATOM 505 CD2 LEU A 31 0.020 2.351 5.523 1.00 0.00 C ATOM 0 H LEU A 31 -2.789 -1.568 4.847 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.733 -0.742 6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.114 -0.486 4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.898 1.017 4.456 1.00 0.00 H new ATOM 0 HG LEU A 31 0.818 0.349 5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.866 1.519 3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.020 0.047 3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.277 1.644 2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.994 2.826 5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.592 2.944 4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.473 2.286 6.493 1.00 0.00 H new ATOM 517 N LEU A 32 -3.313 1.305 6.382 1.00 0.00 N ATOM 518 CA LEU A 32 -4.072 2.346 7.117 1.00 0.00 C ATOM 519 C LEU A 32 -4.329 1.855 8.523 1.00 0.00 C ATOM 520 O LEU A 32 -4.006 2.474 9.501 1.00 0.00 O ATOM 521 CB LEU A 32 -5.422 2.559 6.470 1.00 0.00 C ATOM 522 CG LEU A 32 -5.323 2.411 4.963 1.00 0.00 C ATOM 523 CD1 LEU A 32 -6.519 3.102 4.368 1.00 0.00 C ATOM 524 CD2 LEU A 32 -4.047 3.068 4.438 1.00 0.00 C ATOM 0 H LEU A 32 -3.661 1.097 5.446 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.496 3.271 7.110 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.138 1.838 6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.798 3.551 6.719 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.296 1.356 4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.485 3.018 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.431 2.635 4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.509 4.155 4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.996 2.950 3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.055 4.129 4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.179 2.594 4.896 1.00 0.00 H new ATOM 536 N GLN A 33 -4.953 0.740 8.611 1.00 0.00 N ATOM 537 CA GLN A 33 -5.299 0.185 9.955 1.00 0.00 C ATOM 538 C GLN A 33 -4.068 0.092 10.867 1.00 0.00 C ATOM 539 O GLN A 33 -4.175 0.245 12.068 1.00 0.00 O ATOM 540 CB GLN A 33 -5.908 -1.211 9.795 1.00 0.00 C ATOM 541 CG GLN A 33 -7.378 -1.092 9.394 1.00 0.00 C ATOM 542 CD GLN A 33 -8.112 -2.385 9.748 1.00 0.00 C ATOM 543 OE1 GLN A 33 -8.409 -2.632 10.900 1.00 0.00 O ATOM 544 NE2 GLN A 33 -8.423 -3.223 8.798 1.00 0.00 N ATOM 0 H GLN A 33 -5.248 0.172 7.816 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.017 0.863 10.417 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.360 -1.772 9.039 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -5.820 -1.765 10.729 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.838 -0.248 9.908 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.459 -0.897 8.325 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.173 -3.014 7.831 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.916 -4.087 9.022 1.00 0.00 H new ATOM 553 N THR A 34 -2.912 -0.177 10.333 1.00 0.00 N ATOM 554 CA THR A 34 -1.712 -0.294 11.214 1.00 0.00 C ATOM 555 C THR A 34 -1.103 1.087 11.477 1.00 0.00 C ATOM 556 O THR A 34 -0.370 1.277 12.427 1.00 0.00 O ATOM 557 CB THR A 34 -0.677 -1.196 10.545 1.00 0.00 C ATOM 558 OG1 THR A 34 0.463 -1.314 11.384 1.00 0.00 O ATOM 559 CG2 THR A 34 -0.268 -0.599 9.203 1.00 0.00 C ATOM 0 H THR A 34 -2.743 -0.320 9.337 1.00 0.00 H new ATOM 0 HA THR A 34 -2.014 -0.727 12.167 1.00 0.00 H new ATOM 0 HB THR A 34 -1.109 -2.183 10.382 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.126 -1.894 10.955 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.471 -1.244 8.728 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.144 -0.515 8.560 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.162 0.390 9.361 1.00 0.00 H new ATOM 567 N GLU A 35 -1.404 2.053 10.656 1.00 0.00 N ATOM 568 CA GLU A 35 -0.841 3.416 10.880 1.00 0.00 C ATOM 569 C GLU A 35 -1.982 4.441 10.914 1.00 0.00 C ATOM 570 O GLU A 35 -2.116 5.198 11.855 1.00 0.00 O ATOM 571 CB GLU A 35 0.148 3.766 9.761 1.00 0.00 C ATOM 572 CG GLU A 35 0.925 2.513 9.352 1.00 0.00 C ATOM 573 CD GLU A 35 2.339 2.910 8.927 1.00 0.00 C ATOM 574 OE1 GLU A 35 2.910 3.773 9.572 1.00 0.00 O ATOM 575 OE2 GLU A 35 2.828 2.344 7.963 1.00 0.00 O ATOM 0 H GLU A 35 -2.013 1.960 9.843 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.312 3.435 11.833 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.387 4.171 8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.837 4.539 10.100 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.967 1.810 10.184 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.415 2.007 8.532 1.00 0.00 H new ATOM 582 N PHE A 36 -2.804 4.473 9.900 1.00 0.00 N ATOM 583 CA PHE A 36 -3.930 5.445 9.880 1.00 0.00 C ATOM 584 C PHE A 36 -5.126 4.830 9.140 1.00 0.00 C ATOM 585 O PHE A 36 -5.346 5.135 7.987 1.00 0.00 O ATOM 586 CB PHE A 36 -3.496 6.714 9.134 1.00 0.00 C ATOM 587 CG PHE A 36 -1.989 6.837 9.139 1.00 0.00 C ATOM 588 CD1 PHE A 36 -1.321 7.241 10.301 1.00 0.00 C ATOM 589 CD2 PHE A 36 -1.262 6.545 7.979 1.00 0.00 C ATOM 590 CE1 PHE A 36 0.075 7.352 10.303 1.00 0.00 C ATOM 591 CE2 PHE A 36 0.133 6.658 7.980 1.00 0.00 C ATOM 592 CZ PHE A 36 0.802 7.061 9.142 1.00 0.00 C ATOM 0 H PHE A 36 -2.742 3.865 9.083 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.210 5.689 10.905 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.862 6.683 8.108 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.941 7.591 9.605 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.882 7.467 11.196 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.778 6.232 7.083 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.591 7.662 11.200 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.693 6.434 7.084 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.879 7.147 9.143 1.00 0.00 H new ATOM 602 N PRO A 37 -5.869 3.988 9.818 1.00 0.00 N ATOM 603 CA PRO A 37 -7.050 3.340 9.220 1.00 0.00 C ATOM 604 C PRO A 37 -8.070 4.376 8.749 1.00 0.00 C ATOM 605 O PRO A 37 -8.856 4.120 7.859 1.00 0.00 O ATOM 606 CB PRO A 37 -7.661 2.511 10.356 1.00 0.00 C ATOM 607 CG PRO A 37 -6.778 2.702 11.613 1.00 0.00 C ATOM 608 CD PRO A 37 -5.604 3.607 11.220 1.00 0.00 C ATOM 0 HA PRO A 37 -6.776 2.742 8.351 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.683 2.832 10.556 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.706 1.458 10.078 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.354 3.152 12.421 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.416 1.740 11.976 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.549 4.485 11.864 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.653 3.083 11.314 1.00 0.00 H new ATOM 616 N SER A 38 -8.101 5.527 9.361 1.00 0.00 N ATOM 617 CA SER A 38 -9.116 6.538 8.959 1.00 0.00 C ATOM 618 C SER A 38 -8.692 7.302 7.709 1.00 0.00 C ATOM 619 O SER A 38 -9.429 8.128 7.209 1.00 0.00 O ATOM 620 CB SER A 38 -9.362 7.514 10.108 1.00 0.00 C ATOM 621 OG SER A 38 -8.155 7.701 10.835 1.00 0.00 O ATOM 0 H SER A 38 -7.474 5.809 10.115 1.00 0.00 H new ATOM 0 HA SER A 38 -10.038 6.007 8.725 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.717 8.468 9.719 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.140 7.129 10.767 1.00 0.00 H new ATOM 0 HG SER A 38 -8.311 8.328 11.572 1.00 0.00 H new ATOM 627 N LEU A 39 -7.545 7.028 7.168 1.00 0.00 N ATOM 628 CA LEU A 39 -7.160 7.744 5.927 1.00 0.00 C ATOM 629 C LEU A 39 -7.950 7.135 4.760 1.00 0.00 C ATOM 630 O LEU A 39 -7.855 7.574 3.631 1.00 0.00 O ATOM 631 CB LEU A 39 -5.652 7.625 5.692 1.00 0.00 C ATOM 632 CG LEU A 39 -5.306 6.238 5.162 1.00 0.00 C ATOM 633 CD1 LEU A 39 -5.267 6.275 3.634 1.00 0.00 C ATOM 634 CD2 LEU A 39 -3.931 5.831 5.699 1.00 0.00 C ATOM 0 H LEU A 39 -6.868 6.353 7.522 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.394 8.805 6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.327 8.385 4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.116 7.810 6.623 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.057 5.518 5.487 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.020 5.284 3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.242 6.578 3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.511 6.989 3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.673 4.840 5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.183 6.550 5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.957 5.813 6.789 1.00 0.00 H new ATOM 646 N LEU A 40 -8.754 6.137 5.045 1.00 0.00 N ATOM 647 CA LEU A 40 -9.586 5.495 3.988 1.00 0.00 C ATOM 648 C LEU A 40 -10.605 6.515 3.471 1.00 0.00 C ATOM 649 O LEU A 40 -10.645 6.825 2.301 1.00 0.00 O ATOM 650 CB LEU A 40 -10.352 4.311 4.603 1.00 0.00 C ATOM 651 CG LEU A 40 -9.585 2.996 4.399 1.00 0.00 C ATOM 652 CD1 LEU A 40 -10.490 1.812 4.757 1.00 0.00 C ATOM 653 CD2 LEU A 40 -9.165 2.874 2.933 1.00 0.00 C ATOM 0 H LEU A 40 -8.867 5.739 5.977 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.948 5.150 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.505 4.486 5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.339 4.235 4.147 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.703 2.992 5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.944 0.880 4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.799 1.893 5.799 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.371 1.820 4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.621 1.941 2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.052 2.880 2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.523 3.714 2.667 1.00 0.00 H new ATOM 767 N GLU A 48 -7.388 5.202 -3.741 1.00 0.00 N ATOM 768 CA GLU A 48 -7.323 5.466 -5.192 1.00 0.00 C ATOM 769 C GLU A 48 -5.866 5.406 -5.613 1.00 0.00 C ATOM 770 O GLU A 48 -5.468 5.886 -6.655 1.00 0.00 O ATOM 771 CB GLU A 48 -7.854 6.843 -5.427 1.00 0.00 C ATOM 772 CG GLU A 48 -8.738 6.856 -6.667 1.00 0.00 C ATOM 773 CD GLU A 48 -8.607 8.206 -7.376 1.00 0.00 C ATOM 774 OE1 GLU A 48 -8.242 9.165 -6.716 1.00 0.00 O ATOM 775 OE2 GLU A 48 -8.874 8.259 -8.565 1.00 0.00 O ATOM 0 HA GLU A 48 -7.903 4.738 -5.759 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.425 7.174 -4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.028 7.544 -5.552 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.448 6.050 -7.341 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.777 6.680 -6.387 1.00 0.00 H new ATOM 782 N LEU A 49 -5.082 4.807 -4.783 1.00 0.00 N ATOM 783 CA LEU A 49 -3.633 4.664 -5.048 1.00 0.00 C ATOM 784 C LEU A 49 -3.429 3.477 -5.978 1.00 0.00 C ATOM 785 O LEU A 49 -2.383 3.298 -6.571 1.00 0.00 O ATOM 786 CB LEU A 49 -2.938 4.405 -3.716 1.00 0.00 C ATOM 787 CG LEU A 49 -1.654 5.231 -3.637 1.00 0.00 C ATOM 788 CD1 LEU A 49 -1.928 6.530 -2.876 1.00 0.00 C ATOM 789 CD2 LEU A 49 -0.575 4.429 -2.905 1.00 0.00 C ATOM 0 H LEU A 49 -5.392 4.396 -3.902 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.224 5.561 -5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.601 4.666 -2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.707 3.345 -3.615 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.311 5.466 -4.645 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.012 7.119 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.696 7.102 -3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.271 6.296 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.341 5.018 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.918 4.193 -1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.379 3.504 -3.447 1.00 0.00 H new ATOM 801 N PHE A 50 -4.436 2.662 -6.097 1.00 0.00 N ATOM 802 CA PHE A 50 -4.343 1.471 -6.973 1.00 0.00 C ATOM 803 C PHE A 50 -4.567 1.884 -8.430 1.00 0.00 C ATOM 804 O PHE A 50 -3.833 1.490 -9.311 1.00 0.00 O ATOM 805 CB PHE A 50 -5.419 0.474 -6.552 1.00 0.00 C ATOM 806 CG PHE A 50 -5.284 -0.786 -7.369 1.00 0.00 C ATOM 807 CD1 PHE A 50 -4.012 -1.293 -7.663 1.00 0.00 C ATOM 808 CD2 PHE A 50 -6.426 -1.447 -7.835 1.00 0.00 C ATOM 809 CE1 PHE A 50 -3.883 -2.461 -8.422 1.00 0.00 C ATOM 810 CE2 PHE A 50 -6.298 -2.616 -8.594 1.00 0.00 C ATOM 811 CZ PHE A 50 -5.025 -3.123 -8.887 1.00 0.00 C ATOM 0 H PHE A 50 -5.329 2.774 -5.618 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.356 1.017 -6.882 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.322 0.244 -5.491 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.408 0.909 -6.695 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.131 -0.782 -7.304 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.407 -1.055 -7.609 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.902 -2.852 -8.649 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.179 -3.127 -8.953 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.925 -4.025 -9.472 1.00 0.00 H new ATOM 821 N GLU A 51 -5.577 2.671 -8.688 1.00 0.00 N ATOM 822 CA GLU A 51 -5.849 3.104 -10.091 1.00 0.00 C ATOM 823 C GLU A 51 -4.906 4.246 -10.476 1.00 0.00 C ATOM 824 O GLU A 51 -4.620 4.463 -11.637 1.00 0.00 O ATOM 825 CB GLU A 51 -7.297 3.587 -10.199 1.00 0.00 C ATOM 826 CG GLU A 51 -7.756 3.511 -11.657 1.00 0.00 C ATOM 827 CD GLU A 51 -8.721 4.662 -11.950 1.00 0.00 C ATOM 828 OE1 GLU A 51 -9.880 4.546 -11.581 1.00 0.00 O ATOM 829 OE2 GLU A 51 -8.286 5.639 -12.535 1.00 0.00 O ATOM 0 H GLU A 51 -6.226 3.033 -7.989 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.688 2.262 -10.764 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.943 2.974 -9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.378 4.611 -9.835 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.895 3.566 -12.323 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.245 2.555 -11.846 1.00 0.00 H new ATOM 836 N GLU A 52 -4.428 4.985 -9.514 1.00 0.00 N ATOM 837 CA GLU A 52 -3.513 6.118 -9.829 1.00 0.00 C ATOM 838 C GLU A 52 -2.093 5.596 -10.069 1.00 0.00 C ATOM 839 O GLU A 52 -1.308 6.212 -10.761 1.00 0.00 O ATOM 840 CB GLU A 52 -3.499 7.101 -8.655 1.00 0.00 C ATOM 841 CG GLU A 52 -2.656 8.325 -9.021 1.00 0.00 C ATOM 842 CD GLU A 52 -3.177 9.551 -8.270 1.00 0.00 C ATOM 843 OE1 GLU A 52 -4.218 9.439 -7.643 1.00 0.00 O ATOM 844 OE2 GLU A 52 -2.528 10.582 -8.335 1.00 0.00 O ATOM 0 H GLU A 52 -4.631 4.854 -8.523 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.866 6.621 -10.729 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.516 7.407 -8.412 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.091 6.618 -7.768 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.611 8.148 -8.768 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.698 8.500 -10.096 1.00 0.00 H new ATOM 851 N LEU A 53 -1.751 4.474 -9.497 1.00 0.00 N ATOM 852 CA LEU A 53 -0.377 3.931 -9.693 1.00 0.00 C ATOM 853 C LEU A 53 -0.397 2.816 -10.744 1.00 0.00 C ATOM 854 O LEU A 53 0.174 2.945 -11.808 1.00 0.00 O ATOM 855 CB LEU A 53 0.144 3.371 -8.365 1.00 0.00 C ATOM 856 CG LEU A 53 0.539 4.525 -7.438 1.00 0.00 C ATOM 857 CD1 LEU A 53 0.447 4.070 -5.980 1.00 0.00 C ATOM 858 CD2 LEU A 53 1.977 4.958 -7.742 1.00 0.00 C ATOM 0 H LEU A 53 -2.361 3.911 -8.904 1.00 0.00 H new ATOM 0 HA LEU A 53 0.277 4.732 -10.036 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.623 2.758 -7.892 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.003 2.725 -8.544 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.138 5.363 -7.601 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.729 4.893 -5.323 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.575 3.763 -5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.122 3.229 -5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.257 5.779 -7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.652 4.117 -7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.047 5.286 -8.779 1.00 0.00 H new ATOM 870 N ASP A 54 -1.041 1.718 -10.452 1.00 0.00 N ATOM 871 CA ASP A 54 -1.082 0.594 -11.435 1.00 0.00 C ATOM 872 C ASP A 54 -2.489 0.466 -12.024 1.00 0.00 C ATOM 873 O ASP A 54 -3.434 1.045 -11.530 1.00 0.00 O ATOM 874 CB ASP A 54 -0.709 -0.708 -10.723 1.00 0.00 C ATOM 875 CG ASP A 54 0.143 -1.577 -11.650 1.00 0.00 C ATOM 876 OD1 ASP A 54 1.126 -1.072 -12.167 1.00 0.00 O ATOM 877 OD2 ASP A 54 -0.200 -2.734 -11.824 1.00 0.00 O ATOM 0 H ASP A 54 -1.540 1.550 -9.578 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.375 0.793 -12.241 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.159 -0.489 -9.808 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.611 -1.246 -10.432 1.00 0.00 H new ATOM 882 N LYS A 55 -2.640 -0.289 -13.081 1.00 0.00 N ATOM 883 CA LYS A 55 -3.996 -0.445 -13.688 1.00 0.00 C ATOM 884 C LYS A 55 -4.154 -1.842 -14.305 1.00 0.00 C ATOM 885 O LYS A 55 -5.156 -2.136 -14.925 1.00 0.00 O ATOM 886 CB LYS A 55 -4.212 0.610 -14.783 1.00 0.00 C ATOM 887 CG LYS A 55 -3.247 1.783 -14.595 1.00 0.00 C ATOM 888 CD LYS A 55 -3.514 2.836 -15.676 1.00 0.00 C ATOM 889 CE LYS A 55 -3.374 2.182 -17.074 1.00 0.00 C ATOM 890 NZ LYS A 55 -4.696 2.204 -17.762 1.00 0.00 N ATOM 0 H LYS A 55 -1.891 -0.800 -13.547 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.736 -0.313 -12.899 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.060 0.160 -15.764 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.241 0.969 -14.752 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.376 2.220 -13.605 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.216 1.434 -14.657 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.514 3.252 -15.555 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.810 3.663 -15.576 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.633 2.719 -17.667 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.020 1.156 -16.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.606 1.766 -18.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.390 1.674 -17.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.016 3.188 -17.868 1.00 0.00 H new ATOM 904 N ASN A 56 -3.188 -2.709 -14.148 1.00 0.00 N ATOM 905 CA ASN A 56 -3.318 -4.071 -14.736 1.00 0.00 C ATOM 906 C ASN A 56 -2.334 -5.032 -14.061 1.00 0.00 C ATOM 907 O ASN A 56 -2.055 -6.101 -14.567 1.00 0.00 O ATOM 908 CB ASN A 56 -3.024 -4.015 -16.237 1.00 0.00 C ATOM 909 CG ASN A 56 -3.511 -5.304 -16.912 1.00 0.00 C ATOM 910 OD1 ASN A 56 -3.453 -5.423 -18.119 1.00 0.00 O ATOM 911 ND2 ASN A 56 -3.994 -6.279 -16.187 1.00 0.00 N ATOM 0 H ASN A 56 -2.321 -2.533 -13.641 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.335 -4.429 -14.576 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.519 -3.152 -16.682 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.954 -3.889 -16.403 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.320 -7.135 -16.636 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.045 -6.184 -15.173 1.00 0.00 H new ATOM 918 N GLY A 57 -1.811 -4.672 -12.920 1.00 0.00 N ATOM 919 CA GLY A 57 -0.859 -5.581 -12.225 1.00 0.00 C ATOM 920 C GLY A 57 -1.602 -6.848 -11.808 1.00 0.00 C ATOM 921 O GLY A 57 -1.002 -7.817 -11.389 1.00 0.00 O ATOM 0 H GLY A 57 -2.002 -3.791 -12.442 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.027 -5.831 -12.884 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.436 -5.087 -11.350 1.00 0.00 H new ATOM 925 N ASP A 58 -2.908 -6.818 -11.897 1.00 0.00 N ATOM 926 CA ASP A 58 -3.742 -7.976 -11.498 1.00 0.00 C ATOM 927 C ASP A 58 -4.095 -7.792 -10.029 1.00 0.00 C ATOM 928 O ASP A 58 -4.478 -8.718 -9.342 1.00 0.00 O ATOM 929 CB ASP A 58 -2.995 -9.297 -11.752 1.00 0.00 C ATOM 930 CG ASP A 58 -2.412 -9.868 -10.452 1.00 0.00 C ATOM 931 OD1 ASP A 58 -1.911 -9.090 -9.657 1.00 0.00 O ATOM 932 OD2 ASP A 58 -2.482 -11.073 -10.272 1.00 0.00 O ATOM 0 H ASP A 58 -3.437 -6.016 -12.239 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.655 -8.025 -12.092 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.676 -10.022 -12.197 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.192 -9.131 -12.471 1.00 0.00 H new ATOM 937 N GLY A 59 -3.966 -6.584 -9.550 1.00 0.00 N ATOM 938 CA GLY A 59 -4.293 -6.316 -8.134 1.00 0.00 C ATOM 939 C GLY A 59 -3.005 -6.233 -7.310 1.00 0.00 C ATOM 940 O GLY A 59 -3.037 -6.038 -6.111 1.00 0.00 O ATOM 0 H GLY A 59 -3.648 -5.775 -10.084 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.850 -5.383 -8.050 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.935 -7.106 -7.744 1.00 0.00 H new ATOM 944 N GLU A 60 -1.871 -6.374 -7.943 1.00 0.00 N ATOM 945 CA GLU A 60 -0.580 -6.297 -7.196 1.00 0.00 C ATOM 946 C GLU A 60 0.173 -5.039 -7.622 1.00 0.00 C ATOM 947 O GLU A 60 0.014 -4.546 -8.722 1.00 0.00 O ATOM 948 CB GLU A 60 0.265 -7.533 -7.512 1.00 0.00 C ATOM 949 CG GLU A 60 1.714 -7.307 -7.075 1.00 0.00 C ATOM 950 CD GLU A 60 2.511 -6.710 -8.237 1.00 0.00 C ATOM 951 OE1 GLU A 60 1.891 -6.177 -9.144 1.00 0.00 O ATOM 952 OE2 GLU A 60 3.727 -6.799 -8.203 1.00 0.00 O ATOM 0 H GLU A 60 -1.782 -6.539 -8.946 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.777 -6.259 -6.125 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.145 -8.404 -7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.228 -7.744 -8.581 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.746 -6.637 -6.216 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.161 -8.250 -6.760 1.00 0.00 H new ATOM 959 N VAL A 61 0.997 -4.522 -6.761 1.00 0.00 N ATOM 960 CA VAL A 61 1.772 -3.304 -7.104 1.00 0.00 C ATOM 961 C VAL A 61 3.252 -3.592 -6.838 1.00 0.00 C ATOM 962 O VAL A 61 3.690 -4.723 -6.911 1.00 0.00 O ATOM 963 CB VAL A 61 1.265 -2.134 -6.243 1.00 0.00 C ATOM 964 CG1 VAL A 61 1.955 -2.138 -4.875 1.00 0.00 C ATOM 965 CG2 VAL A 61 1.549 -0.812 -6.955 1.00 0.00 C ATOM 0 H VAL A 61 1.168 -4.894 -5.827 1.00 0.00 H new ATOM 0 HA VAL A 61 1.647 -3.034 -8.153 1.00 0.00 H new ATOM 0 HB VAL A 61 0.191 -2.247 -6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.585 -1.304 -4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.740 -3.075 -4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.032 -2.038 -5.010 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.189 0.015 -6.343 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.622 -0.707 -7.112 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.038 -0.800 -7.918 1.00 0.00 H new ATOM 975 N SER A 62 4.027 -2.596 -6.528 1.00 0.00 N ATOM 976 CA SER A 62 5.466 -2.848 -6.259 1.00 0.00 C ATOM 977 C SER A 62 6.027 -1.694 -5.423 1.00 0.00 C ATOM 978 O SER A 62 5.410 -0.656 -5.291 1.00 0.00 O ATOM 979 CB SER A 62 6.219 -2.943 -7.590 1.00 0.00 C ATOM 980 OG SER A 62 5.712 -1.957 -8.487 1.00 0.00 O ATOM 0 H SER A 62 3.730 -1.624 -6.449 1.00 0.00 H new ATOM 0 HA SER A 62 5.586 -3.783 -5.712 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.286 -2.791 -7.429 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.100 -3.938 -8.019 1.00 0.00 H new ATOM 0 HG SER A 62 6.192 -2.013 -9.340 1.00 0.00 H new ATOM 986 N PHE A 63 7.195 -1.860 -4.864 1.00 0.00 N ATOM 987 CA PHE A 63 7.791 -0.766 -4.046 1.00 0.00 C ATOM 988 C PHE A 63 8.076 0.425 -4.966 1.00 0.00 C ATOM 989 O PHE A 63 8.289 1.529 -4.518 1.00 0.00 O ATOM 990 CB PHE A 63 9.096 -1.269 -3.421 1.00 0.00 C ATOM 991 CG PHE A 63 9.433 -0.501 -2.154 1.00 0.00 C ATOM 992 CD1 PHE A 63 8.539 -0.484 -1.075 1.00 0.00 C ATOM 993 CD2 PHE A 63 10.655 0.177 -2.051 1.00 0.00 C ATOM 994 CE1 PHE A 63 8.863 0.208 0.098 1.00 0.00 C ATOM 995 CE2 PHE A 63 10.978 0.872 -0.877 1.00 0.00 C ATOM 996 CZ PHE A 63 10.081 0.886 0.198 1.00 0.00 C ATOM 0 H PHE A 63 7.761 -2.705 -4.938 1.00 0.00 H new ATOM 0 HA PHE A 63 7.108 -0.461 -3.253 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.007 -2.331 -3.192 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.909 -1.165 -4.139 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.597 -1.007 -1.149 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.350 0.164 -2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.171 0.218 0.927 1.00 0.00 H new ATOM 0 HE2 PHE A 63 11.919 1.397 -0.802 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.330 1.420 1.103 1.00 0.00 H new ATOM 1006 N GLU A 64 8.069 0.201 -6.256 1.00 0.00 N ATOM 1007 CA GLU A 64 8.328 1.314 -7.219 1.00 0.00 C ATOM 1008 C GLU A 64 7.144 2.283 -7.201 1.00 0.00 C ATOM 1009 O GLU A 64 7.290 3.467 -7.424 1.00 0.00 O ATOM 1010 CB GLU A 64 8.490 0.740 -8.628 1.00 0.00 C ATOM 1011 CG GLU A 64 8.917 1.851 -9.589 1.00 0.00 C ATOM 1012 CD GLU A 64 10.247 2.445 -9.125 1.00 0.00 C ATOM 1013 OE1 GLU A 64 10.224 3.264 -8.223 1.00 0.00 O ATOM 1014 OE2 GLU A 64 11.266 2.069 -9.681 1.00 0.00 O ATOM 0 H GLU A 64 7.894 -0.708 -6.685 1.00 0.00 H new ATOM 0 HA GLU A 64 9.238 1.841 -6.933 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.234 -0.057 -8.624 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.551 0.298 -8.962 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.017 1.454 -10.599 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.153 2.628 -9.626 1.00 0.00 H new ATOM 1021 N GLU A 65 5.973 1.782 -6.921 1.00 0.00 N ATOM 1022 CA GLU A 65 4.768 2.658 -6.864 1.00 0.00 C ATOM 1023 C GLU A 65 4.438 2.915 -5.396 1.00 0.00 C ATOM 1024 O GLU A 65 3.673 3.795 -5.055 1.00 0.00 O ATOM 1025 CB GLU A 65 3.585 1.957 -7.542 1.00 0.00 C ATOM 1026 CG GLU A 65 4.102 0.983 -8.602 1.00 0.00 C ATOM 1027 CD GLU A 65 4.815 1.763 -9.708 1.00 0.00 C ATOM 1028 OE1 GLU A 65 5.544 2.684 -9.379 1.00 0.00 O ATOM 1029 OE2 GLU A 65 4.622 1.425 -10.864 1.00 0.00 O ATOM 0 H GLU A 65 5.797 0.796 -6.728 1.00 0.00 H new ATOM 0 HA GLU A 65 4.961 3.598 -7.380 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.993 1.421 -6.800 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.928 2.695 -8.002 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.787 0.266 -8.149 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.274 0.412 -9.021 1.00 0.00 H new ATOM 1036 N PHE A 66 5.038 2.147 -4.529 1.00 0.00 N ATOM 1037 CA PHE A 66 4.815 2.310 -3.068 1.00 0.00 C ATOM 1038 C PHE A 66 5.689 3.464 -2.553 1.00 0.00 C ATOM 1039 O PHE A 66 5.808 3.691 -1.366 1.00 0.00 O ATOM 1040 CB PHE A 66 5.228 1.001 -2.393 1.00 0.00 C ATOM 1041 CG PHE A 66 4.546 0.850 -1.056 1.00 0.00 C ATOM 1042 CD1 PHE A 66 3.153 0.743 -0.995 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.300 0.822 0.125 1.00 0.00 C ATOM 1044 CE1 PHE A 66 2.511 0.615 0.238 1.00 0.00 C ATOM 1045 CE2 PHE A 66 4.656 0.689 1.357 1.00 0.00 C ATOM 1046 CZ PHE A 66 3.263 0.589 1.414 1.00 0.00 C ATOM 0 H PHE A 66 5.686 1.399 -4.778 1.00 0.00 H new ATOM 0 HA PHE A 66 3.771 2.536 -2.850 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.971 0.158 -3.035 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.310 0.981 -2.259 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.572 0.759 -1.905 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.376 0.903 0.082 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.435 0.536 0.282 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.236 0.663 2.268 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.768 0.492 2.369 1.00 0.00 H new ATOM 1056 N GLN A 67 6.294 4.195 -3.454 1.00 0.00 N ATOM 1057 CA GLN A 67 7.163 5.346 -3.052 1.00 0.00 C ATOM 1058 C GLN A 67 6.298 6.559 -2.798 1.00 0.00 C ATOM 1059 O GLN A 67 6.597 7.395 -1.972 1.00 0.00 O ATOM 1060 CB GLN A 67 8.174 5.671 -4.147 1.00 0.00 C ATOM 1061 CG GLN A 67 8.916 4.405 -4.565 1.00 0.00 C ATOM 1062 CD GLN A 67 10.027 4.077 -3.546 1.00 0.00 C ATOM 1063 OE1 GLN A 67 10.980 4.821 -3.432 1.00 0.00 O ATOM 1064 NE2 GLN A 67 9.956 3.000 -2.787 1.00 0.00 N ATOM 0 H GLN A 67 6.223 4.044 -4.460 1.00 0.00 H new ATOM 0 HA GLN A 67 7.705 5.073 -2.147 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.664 6.104 -5.007 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.884 6.417 -3.788 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.217 3.571 -4.633 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.350 4.539 -5.556 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.161 2.367 -2.873 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.696 2.800 -2.114 1.00 0.00 H new ATOM 1073 N VAL A 68 5.219 6.665 -3.497 1.00 0.00 N ATOM 1074 CA VAL A 68 4.321 7.820 -3.264 1.00 0.00 C ATOM 1075 C VAL A 68 4.093 7.913 -1.755 1.00 0.00 C ATOM 1076 O VAL A 68 3.977 8.978 -1.187 1.00 0.00 O ATOM 1077 CB VAL A 68 2.994 7.583 -3.975 1.00 0.00 C ATOM 1078 CG1 VAL A 68 2.255 8.911 -4.115 1.00 0.00 C ATOM 1079 CG2 VAL A 68 3.264 6.992 -5.359 1.00 0.00 C ATOM 0 H VAL A 68 4.916 6.009 -4.217 1.00 0.00 H new ATOM 0 HA VAL A 68 4.757 8.742 -3.647 1.00 0.00 H new ATOM 0 HB VAL A 68 2.382 6.889 -3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.305 8.747 -4.623 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.070 9.330 -3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.862 9.606 -4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.318 6.820 -5.872 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.871 7.687 -5.939 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.796 6.047 -5.253 1.00 0.00 H new ATOM 1089 N LEU A 69 4.052 6.776 -1.112 1.00 0.00 N ATOM 1090 CA LEU A 69 3.856 6.725 0.368 1.00 0.00 C ATOM 1091 C LEU A 69 5.133 7.149 1.069 1.00 0.00 C ATOM 1092 O LEU A 69 5.110 7.674 2.157 1.00 0.00 O ATOM 1093 CB LEU A 69 3.615 5.278 0.779 1.00 0.00 C ATOM 1094 CG LEU A 69 2.525 5.150 1.858 1.00 0.00 C ATOM 1095 CD1 LEU A 69 2.934 4.043 2.827 1.00 0.00 C ATOM 1096 CD2 LEU A 69 2.360 6.454 2.653 1.00 0.00 C ATOM 0 H LEU A 69 4.148 5.864 -1.558 1.00 0.00 H new ATOM 0 HA LEU A 69 3.023 7.376 0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.326 4.697 -0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.545 4.849 1.153 1.00 0.00 H new ATOM 0 HG LEU A 69 1.579 4.924 1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.173 3.937 3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.034 3.103 2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.888 4.298 3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.582 6.325 3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.301 6.703 3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.080 7.260 1.975 1.00 0.00 H new ATOM 1108 N VAL A 70 6.251 6.853 0.483 1.00 0.00 N ATOM 1109 CA VAL A 70 7.542 7.191 1.131 1.00 0.00 C ATOM 1110 C VAL A 70 7.584 8.693 1.454 1.00 0.00 C ATOM 1111 O VAL A 70 8.146 9.104 2.449 1.00 0.00 O ATOM 1112 CB VAL A 70 8.701 6.802 0.192 1.00 0.00 C ATOM 1113 CG1 VAL A 70 8.966 7.918 -0.822 1.00 0.00 C ATOM 1114 CG2 VAL A 70 9.967 6.561 1.012 1.00 0.00 C ATOM 0 H VAL A 70 6.328 6.389 -0.422 1.00 0.00 H new ATOM 0 HA VAL A 70 7.644 6.636 2.064 1.00 0.00 H new ATOM 0 HB VAL A 70 8.425 5.893 -0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.787 7.627 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.069 8.089 -1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.230 8.834 -0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.785 6.286 0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.229 7.471 1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.792 5.754 1.723 1.00 0.00 H new ATOM 1124 N LYS A 71 6.981 9.511 0.629 1.00 0.00 N ATOM 1125 CA LYS A 71 6.975 10.979 0.905 1.00 0.00 C ATOM 1126 C LYS A 71 5.725 11.324 1.713 1.00 0.00 C ATOM 1127 O LYS A 71 5.272 12.450 1.743 1.00 0.00 O ATOM 1128 CB LYS A 71 6.969 11.754 -0.399 1.00 0.00 C ATOM 1129 CG LYS A 71 8.064 12.822 -0.363 1.00 0.00 C ATOM 1130 CD LYS A 71 8.758 12.886 -1.725 1.00 0.00 C ATOM 1131 CE LYS A 71 7.734 13.236 -2.805 1.00 0.00 C ATOM 1132 NZ LYS A 71 8.380 14.078 -3.848 1.00 0.00 N ATOM 0 H LYS A 71 6.494 9.227 -0.221 1.00 0.00 H new ATOM 0 HA LYS A 71 7.869 11.248 1.468 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.134 11.077 -1.237 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.996 12.221 -0.553 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.633 13.792 -0.117 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.789 12.588 0.416 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.551 13.633 -1.706 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.227 11.929 -1.951 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.336 12.325 -3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.891 13.768 -2.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.683 14.316 -4.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.739 14.953 -3.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.170 13.555 -4.277 1.00 0.00 H new ATOM 1146 N LYS A 72 5.175 10.345 2.368 1.00 0.00 N ATOM 1147 CA LYS A 72 3.957 10.558 3.189 1.00 0.00 C ATOM 1148 C LYS A 72 4.300 10.317 4.659 1.00 0.00 C ATOM 1149 O LYS A 72 3.522 10.609 5.545 1.00 0.00 O ATOM 1150 CB LYS A 72 2.874 9.566 2.768 1.00 0.00 C ATOM 1151 CG LYS A 72 1.920 10.235 1.782 1.00 0.00 C ATOM 1152 CD LYS A 72 2.678 10.591 0.503 1.00 0.00 C ATOM 1153 CE LYS A 72 2.362 12.030 0.095 1.00 0.00 C ATOM 1154 NZ LYS A 72 1.455 12.017 -1.087 1.00 0.00 N ATOM 0 H LYS A 72 5.526 9.387 2.369 1.00 0.00 H new ATOM 0 HA LYS A 72 3.597 11.577 3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.329 8.688 2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.324 9.220 3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.090 9.567 1.552 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.492 11.134 2.226 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.750 10.476 0.661 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.399 9.907 -0.298 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.892 12.560 0.923 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.282 12.563 -0.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.237 12.994 -1.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.920 11.525 -1.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.573 11.522 -0.843 1.00 0.00 H new ATOM 1168 N ILE A 73 5.454 9.762 4.923 1.00 0.00 N ATOM 1169 CA ILE A 73 5.839 9.474 6.325 1.00 0.00 C ATOM 1170 C ILE A 73 6.796 10.492 6.839 1.00 0.00 C ATOM 1171 O ILE A 73 6.759 10.890 7.986 1.00 0.00 O ATOM 1172 CB ILE A 73 6.658 8.201 6.391 1.00 0.00 C ATOM 1173 CG1 ILE A 73 6.349 7.298 5.219 1.00 0.00 C ATOM 1174 CG2 ILE A 73 6.414 7.510 7.708 1.00 0.00 C ATOM 1175 CD1 ILE A 73 4.846 7.057 5.101 1.00 0.00 C ATOM 0 H ILE A 73 6.145 9.497 4.221 1.00 0.00 H new ATOM 0 HA ILE A 73 4.906 9.436 6.888 1.00 0.00 H new ATOM 0 HB ILE A 73 7.717 8.453 6.327 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.723 7.748 4.299 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.866 6.346 5.341 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.004 6.595 7.753 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.705 8.170 8.525 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.356 7.265 7.800 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.648 6.405 4.251 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.480 6.585 6.013 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.335 8.009 4.955 1.00 0.00 H new ATOM 1187 N SER A 74 7.758 10.786 6.035 1.00 0.00 N ATOM 1188 CA SER A 74 8.824 11.635 6.520 1.00 0.00 C ATOM 1189 C SER A 74 8.266 12.939 7.111 1.00 0.00 C ATOM 1190 O SER A 74 7.093 13.051 7.404 1.00 0.00 O ATOM 1191 CB SER A 74 9.811 11.950 5.396 1.00 0.00 C ATOM 1192 OG SER A 74 11.136 11.909 5.909 1.00 0.00 O ATOM 0 H SER A 74 7.842 10.471 5.069 1.00 0.00 H new ATOM 0 HA SER A 74 9.347 11.096 7.310 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.700 11.229 4.586 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.601 12.934 4.977 1.00 0.00 H new ATOM 0 HG SER A 74 11.771 12.109 5.190 1.00 0.00 H new ATOM 1198 N GLN A 75 9.097 13.935 7.280 1.00 0.00 N ATOM 1199 CA GLN A 75 8.607 15.222 7.846 1.00 0.00 C ATOM 1200 C GLN A 75 9.519 16.361 7.385 1.00 0.00 C ATOM 1201 O GLN A 75 9.729 16.479 6.189 1.00 0.00 O ATOM 1202 CB GLN A 75 8.623 15.139 9.374 1.00 0.00 C ATOM 1203 CG GLN A 75 7.430 15.909 9.944 1.00 0.00 C ATOM 1204 CD GLN A 75 7.778 16.421 11.343 1.00 0.00 C ATOM 1205 OE1 GLN A 75 8.076 17.584 11.520 1.00 0.00 O ATOM 1206 NE2 GLN A 75 7.755 15.593 12.351 1.00 0.00 N ATOM 1207 OXT GLN A 75 9.992 17.095 8.237 1.00 0.00 O ATOM 0 H GLN A 75 10.091 13.911 7.051 1.00 0.00 H new ATOM 0 HA GLN A 75 7.590 15.411 7.501 1.00 0.00 H new ATOM 0 HB2 GLN A 75 8.581 14.097 9.692 1.00 0.00 H new ATOM 0 HB3 GLN A 75 9.554 15.553 9.761 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.177 16.745 9.291 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.554 15.263 9.989 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.505 14.615 12.202 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.987 15.923 13.288 1.00 0.00 H new