USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 582 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: C 15 THR OG1 : rot -75:sc= 1.02 USER MOD Set 1.2: D 17 HIS : no HE2:sc= 0.956 K(o=2,f=-3.3!) USER MOD Set 2.1: A 15 THR OG1 : rot -70:sc= 1.7 USER MOD Set 2.2: B 17 HIS : no HE2:sc= -0.0554 K(o=1.6,f=-3.8!) USER MOD Set 3.1: B 12 TYR OH : rot -68:sc= 1.06 USER MOD Set 3.2: C 10 THR OG1 : rot -45:sc= 1.2 USER MOD Set 4.1: B 11 LYS NZ :NH3+ -160:sc= 1.21 (180deg=0.739) USER MOD Set 4.2: B 15 GLN : amide:sc= 1.17 K(o=2.4,f=-5.7!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0219 USER MOD Single : A 14 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0135) USER MOD Single : A 18 LYS NZ :NH3+ 179:sc= 0.968 (180deg=0.951) USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -130:sc= 0.039 (180deg=-0.108) USER MOD Single : B 19 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0563) USER MOD Single : B 21 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0409) USER MOD Single : B 22 ASN : amide:sc= 0.595 K(o=0.59,f=-0.0069) USER MOD Single : C 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 19 CYS SG : rot 180:sc= 0 USER MOD Single : D 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 12 TYR OH : rot 120:sc= 0 USER MOD Single : D 15 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : D 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 22 ASN : amide:sc= 1.15 K(o=1.2,f=-0.0014) USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 6 -4.228 6.788 7.420 1.00 10.00 N ATOM 88 CA PRO A 6 -5.545 6.950 6.819 1.00 10.00 C ATOM 89 C PRO A 6 -6.398 5.678 6.970 1.00 10.00 C ATOM 90 O PRO A 6 -5.841 4.579 7.027 1.00 10.00 O ATOM 91 CB PRO A 6 -5.258 7.258 5.346 1.00 10.00 C ATOM 92 CG PRO A 6 -3.972 6.473 5.084 1.00 10.00 C ATOM 93 CD PRO A 6 -3.206 6.638 6.395 1.00 10.00 C ATOM 0 HA PRO A 6 -6.121 7.739 7.302 1.00 10.00 H new ATOM 0 HB2 PRO A 6 -6.071 6.931 4.698 1.00 10.00 H new ATOM 0 HB3 PRO A 6 -5.123 8.326 5.174 1.00 10.00 H new ATOM 0 HG2 PRO A 6 -4.175 5.425 4.863 1.00 10.00 H new ATOM 0 HG3 PRO A 6 -3.417 6.876 4.237 1.00 10.00 H new ATOM 0 HD2 PRO A 6 -2.574 5.772 6.593 1.00 10.00 H new ATOM 0 HD3 PRO A 6 -2.552 7.509 6.361 1.00 10.00 H new ATOM 101 N PRO A 7 -7.741 5.792 6.965 1.00 10.00 N ATOM 102 CA PRO A 7 -8.669 4.662 6.964 1.00 10.00 C ATOM 103 C PRO A 7 -8.286 3.540 5.993 1.00 10.00 C ATOM 104 O PRO A 7 -8.439 2.367 6.318 1.00 10.00 O ATOM 105 CB PRO A 7 -10.036 5.255 6.616 1.00 10.00 C ATOM 106 CG PRO A 7 -9.946 6.661 7.201 1.00 10.00 C ATOM 107 CD PRO A 7 -8.487 7.041 6.953 1.00 10.00 C ATOM 0 HA PRO A 7 -8.659 4.176 7.940 1.00 10.00 H new ATOM 0 HB2 PRO A 7 -10.208 5.274 5.540 1.00 10.00 H new ATOM 0 HB3 PRO A 7 -10.851 4.683 7.059 1.00 10.00 H new ATOM 0 HG2 PRO A 7 -10.632 7.349 6.707 1.00 10.00 H new ATOM 0 HG3 PRO A 7 -10.192 6.673 8.263 1.00 10.00 H new ATOM 0 HD2 PRO A 7 -8.374 7.554 5.998 1.00 10.00 H new ATOM 0 HD3 PRO A 7 -8.124 7.720 7.724 1.00 10.00 H new ATOM 115 N GLY A 8 -7.761 3.895 4.814 1.00 10.00 N ATOM 116 CA GLY A 8 -7.208 2.951 3.845 1.00 10.00 C ATOM 117 C GLY A 8 -6.291 1.890 4.470 1.00 10.00 C ATOM 118 O GLY A 8 -6.366 0.719 4.107 1.00 10.00 O ATOM 0 H GLY A 8 -7.709 4.866 4.504 1.00 10.00 H new ATOM 0 HA2 GLY A 8 -8.028 2.451 3.329 1.00 10.00 H new ATOM 0 HA3 GLY A 8 -6.648 3.504 3.091 1.00 10.00 H new ATOM 122 N PHE A 9 -5.443 2.278 5.430 1.00 10.00 N ATOM 123 CA PHE A 9 -4.605 1.335 6.166 1.00 10.00 C ATOM 124 C PHE A 9 -5.453 0.336 6.967 1.00 10.00 C ATOM 125 O PHE A 9 -5.303 -0.875 6.818 1.00 10.00 O ATOM 126 CB PHE A 9 -3.632 2.100 7.072 1.00 10.00 C ATOM 127 CG PHE A 9 -2.845 1.212 8.015 1.00 10.00 C ATOM 128 CD1 PHE A 9 -2.044 0.177 7.500 1.00 10.00 C ATOM 129 CD2 PHE A 9 -2.997 1.349 9.407 1.00 10.00 C ATOM 130 CE1 PHE A 9 -1.383 -0.704 8.374 1.00 10.00 C ATOM 131 CE2 PHE A 9 -2.317 0.484 10.280 1.00 10.00 C ATOM 132 CZ PHE A 9 -1.521 -0.553 9.764 1.00 10.00 C ATOM 0 H PHE A 9 -5.322 3.250 5.714 1.00 10.00 H new ATOM 0 HA PHE A 9 -4.026 0.753 5.449 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -2.935 2.660 6.449 1.00 10.00 H new ATOM 0 HB3 PHE A 9 -4.193 2.829 7.658 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -1.937 0.059 6.432 1.00 10.00 H new ATOM 0 HD2 PHE A 9 -3.638 2.121 9.805 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -0.768 -1.498 7.976 1.00 10.00 H new ATOM 0 HE2 PHE A 9 -2.406 0.616 11.348 1.00 10.00 H new ATOM 0 HZ PHE A 9 -1.016 -1.233 10.435 1.00 10.00 H new ATOM 142 N THR A 10 -6.372 0.833 7.798 1.00 10.00 N ATOM 143 CA THR A 10 -7.300 0.005 8.569 1.00 10.00 C ATOM 144 C THR A 10 -8.097 -0.946 7.664 1.00 10.00 C ATOM 145 O THR A 10 -8.213 -2.139 7.942 1.00 10.00 O ATOM 146 CB THR A 10 -8.240 0.916 9.372 1.00 10.00 C ATOM 147 OG1 THR A 10 -7.486 1.925 10.012 1.00 10.00 O ATOM 148 CG2 THR A 10 -9.006 0.137 10.440 1.00 10.00 C ATOM 0 H THR A 10 -6.493 1.833 7.956 1.00 10.00 H new ATOM 0 HA THR A 10 -6.726 -0.619 9.254 1.00 10.00 H new ATOM 0 HB THR A 10 -8.956 1.348 8.673 1.00 10.00 H new ATOM 0 HG1 THR A 10 -8.086 2.507 10.523 1.00 10.00 H new ATOM 0 HG21 THR A 10 -9.660 0.816 10.987 1.00 10.00 H new ATOM 0 HG22 THR A 10 -9.605 -0.640 9.964 1.00 10.00 H new ATOM 0 HG23 THR A 10 -8.300 -0.322 11.132 1.00 10.00 H new ATOM 156 N ALA A 11 -8.631 -0.419 6.561 1.00 10.00 N ATOM 157 CA ALA A 11 -9.363 -1.183 5.559 1.00 10.00 C ATOM 158 C ALA A 11 -8.479 -2.259 4.907 1.00 10.00 C ATOM 159 O ALA A 11 -8.894 -3.412 4.778 1.00 10.00 O ATOM 160 CB ALA A 11 -9.953 -0.212 4.535 1.00 10.00 C ATOM 0 H ALA A 11 -8.563 0.574 6.338 1.00 10.00 H new ATOM 0 HA ALA A 11 -10.179 -1.725 6.038 1.00 10.00 H new ATOM 0 HB1 ALA A 11 -10.504 -0.771 3.779 1.00 10.00 H new ATOM 0 HB2 ALA A 11 -10.628 0.481 5.037 1.00 10.00 H new ATOM 0 HB3 ALA A 11 -9.148 0.347 4.058 1.00 10.00 H new ATOM 166 N LEU A 12 -7.242 -1.912 4.529 1.00 10.00 N ATOM 167 CA LEU A 12 -6.248 -2.888 4.088 1.00 10.00 C ATOM 168 C LEU A 12 -6.054 -3.984 5.138 1.00 10.00 C ATOM 169 O LEU A 12 -6.229 -5.153 4.824 1.00 10.00 O ATOM 170 CB LEU A 12 -4.930 -2.204 3.705 1.00 10.00 C ATOM 171 CG LEU A 12 -3.907 -3.200 3.122 1.00 10.00 C ATOM 172 CD1 LEU A 12 -3.024 -2.478 2.106 1.00 10.00 C ATOM 173 CD2 LEU A 12 -2.997 -3.816 4.195 1.00 10.00 C ATOM 0 H LEU A 12 -6.907 -0.949 4.522 1.00 10.00 H new ATOM 0 HA LEU A 12 -6.622 -3.374 3.187 1.00 10.00 H new ATOM 0 HB2 LEU A 12 -5.128 -1.420 2.975 1.00 10.00 H new ATOM 0 HB3 LEU A 12 -4.504 -1.721 4.584 1.00 10.00 H new ATOM 0 HG LEU A 12 -4.477 -4.006 2.660 1.00 10.00 H new ATOM 0 HD11 LEU A 12 -2.299 -3.178 1.691 1.00 10.00 H new ATOM 0 HD12 LEU A 12 -3.644 -2.080 1.303 1.00 10.00 H new ATOM 0 HD13 LEU A 12 -2.498 -1.660 2.598 1.00 10.00 H new ATOM 0 HD21 LEU A 12 -2.298 -4.508 3.726 1.00 10.00 H new ATOM 0 HD22 LEU A 12 -2.441 -3.025 4.698 1.00 10.00 H new ATOM 0 HD23 LEU A 12 -3.605 -4.352 4.924 1.00 10.00 H new ATOM 185 N ILE A 13 -5.726 -3.630 6.385 1.00 10.00 N ATOM 186 CA ILE A 13 -5.562 -4.591 7.480 1.00 10.00 C ATOM 187 C ILE A 13 -6.781 -5.519 7.605 1.00 10.00 C ATOM 188 O ILE A 13 -6.633 -6.741 7.621 1.00 10.00 O ATOM 189 CB ILE A 13 -5.253 -3.841 8.792 1.00 10.00 C ATOM 190 CG1 ILE A 13 -3.852 -3.198 8.780 1.00 10.00 C ATOM 191 CG2 ILE A 13 -5.425 -4.730 10.033 1.00 10.00 C ATOM 192 CD1 ILE A 13 -2.689 -4.188 8.929 1.00 10.00 C ATOM 0 H ILE A 13 -5.566 -2.662 6.664 1.00 10.00 H new ATOM 0 HA ILE A 13 -4.714 -5.239 7.257 1.00 10.00 H new ATOM 0 HB ILE A 13 -5.990 -3.040 8.854 1.00 10.00 H new ATOM 0 HG12 ILE A 13 -3.727 -2.650 7.846 1.00 10.00 H new ATOM 0 HG13 ILE A 13 -3.795 -2.468 9.588 1.00 10.00 H new ATOM 0 HG21 ILE A 13 -5.195 -4.153 10.929 1.00 10.00 H new ATOM 0 HG22 ILE A 13 -6.454 -5.087 10.085 1.00 10.00 H new ATOM 0 HG23 ILE A 13 -4.748 -5.582 9.967 1.00 10.00 H new ATOM 0 HD11 ILE A 13 -1.744 -3.645 8.909 1.00 10.00 H new ATOM 0 HD12 ILE A 13 -2.783 -4.719 9.876 1.00 10.00 H new ATOM 0 HD13 ILE A 13 -2.713 -4.904 8.107 1.00 10.00 H new ATOM 204 N LYS A 14 -7.992 -4.959 7.667 1.00 10.00 N ATOM 205 CA LYS A 14 -9.216 -5.752 7.748 1.00 10.00 C ATOM 206 C LYS A 14 -9.367 -6.702 6.548 1.00 10.00 C ATOM 207 O LYS A 14 -9.606 -7.896 6.724 1.00 10.00 O ATOM 208 CB LYS A 14 -10.424 -4.818 7.901 1.00 10.00 C ATOM 209 CG LYS A 14 -11.767 -5.562 7.998 1.00 10.00 C ATOM 210 CD LYS A 14 -11.799 -6.565 9.160 1.00 10.00 C ATOM 211 CE LYS A 14 -13.203 -7.155 9.316 1.00 10.00 C ATOM 212 NZ LYS A 14 -13.250 -8.123 10.427 1.00 10.00 N ATOM 0 H LYS A 14 -8.149 -3.951 7.662 1.00 10.00 H new ATOM 0 HA LYS A 14 -9.159 -6.391 8.629 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -10.290 -4.208 8.794 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -10.456 -4.136 7.051 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -12.572 -4.838 8.125 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -11.956 -6.088 7.062 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -11.080 -7.364 8.979 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -11.501 -6.070 10.084 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -13.920 -6.354 9.497 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -13.500 -7.645 8.389 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -14.065 -8.757 10.301 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -12.374 -8.683 10.436 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -13.344 -7.613 11.328 1.00 10.00 H new ATOM 226 N THR A 15 -9.219 -6.191 5.322 1.00 10.00 N ATOM 227 CA THR A 15 -9.311 -7.022 4.118 1.00 10.00 C ATOM 228 C THR A 15 -8.189 -8.066 4.014 1.00 10.00 C ATOM 229 O THR A 15 -8.424 -9.178 3.545 1.00 10.00 O ATOM 230 CB THR A 15 -9.460 -6.184 2.838 1.00 10.00 C ATOM 231 OG1 THR A 15 -8.456 -5.199 2.707 1.00 10.00 O ATOM 232 CG2 THR A 15 -10.824 -5.494 2.816 1.00 10.00 C ATOM 0 H THR A 15 -9.035 -5.205 5.137 1.00 10.00 H new ATOM 0 HA THR A 15 -10.233 -7.594 4.223 1.00 10.00 H new ATOM 0 HB THR A 15 -9.363 -6.878 2.003 1.00 10.00 H new ATOM 0 HG1 THR A 15 -8.596 -4.498 3.377 1.00 10.00 H new ATOM 0 HG21 THR A 15 -10.918 -4.903 1.905 1.00 10.00 H new ATOM 0 HG22 THR A 15 -11.613 -6.246 2.844 1.00 10.00 H new ATOM 0 HG23 THR A 15 -10.915 -4.840 3.683 1.00 10.00 H new ATOM 240 N LEU A 16 -6.989 -7.757 4.507 1.00 10.00 N ATOM 241 CA LEU A 16 -5.903 -8.718 4.676 1.00 10.00 C ATOM 242 C LEU A 16 -6.340 -9.837 5.626 1.00 10.00 C ATOM 243 O LEU A 16 -6.297 -11.009 5.262 1.00 10.00 O ATOM 244 CB LEU A 16 -4.635 -7.988 5.157 1.00 10.00 C ATOM 245 CG LEU A 16 -3.331 -8.784 4.962 1.00 10.00 C ATOM 246 CD1 LEU A 16 -2.147 -7.808 4.988 1.00 10.00 C ATOM 247 CD2 LEU A 16 -3.111 -9.842 6.051 1.00 10.00 C ATOM 0 H LEU A 16 -6.742 -6.813 4.805 1.00 10.00 H new ATOM 0 HA LEU A 16 -5.663 -9.187 3.722 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -4.551 -7.041 4.624 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -4.747 -7.750 6.215 1.00 10.00 H new ATOM 0 HG LEU A 16 -3.407 -9.303 4.006 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.217 -8.360 4.851 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -2.258 -7.080 4.185 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.123 -7.290 5.947 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -2.177 -10.371 5.861 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -3.061 -9.356 7.025 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -3.938 -10.552 6.041 1.00 10.00 H new ATOM 259 N ARG A 17 -6.802 -9.479 6.828 1.00 10.00 N ATOM 260 CA ARG A 17 -7.319 -10.428 7.812 1.00 10.00 C ATOM 261 C ARG A 17 -8.431 -11.319 7.222 1.00 10.00 C ATOM 262 O ARG A 17 -8.383 -12.542 7.347 1.00 10.00 O ATOM 263 CB ARG A 17 -7.793 -9.655 9.050 1.00 10.00 C ATOM 264 CG ARG A 17 -8.008 -10.594 10.246 1.00 10.00 C ATOM 265 CD ARG A 17 -9.350 -10.329 10.937 1.00 10.00 C ATOM 266 NE ARG A 17 -10.483 -10.653 10.052 1.00 10.00 N ATOM 267 CZ ARG A 17 -10.895 -11.886 9.740 1.00 10.00 C ATOM 268 NH1 ARG A 17 -10.294 -12.964 10.229 1.00 10.00 N ATOM 269 NH2 ARG A 17 -11.921 -12.051 8.912 1.00 10.00 N ATOM 0 H ARG A 17 -6.827 -8.510 7.146 1.00 10.00 H new ATOM 0 HA ARG A 17 -6.520 -11.108 8.106 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -7.057 -8.894 9.310 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -8.723 -9.134 8.822 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -7.970 -11.629 9.908 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -7.197 -10.463 10.962 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -9.416 -10.924 11.848 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -9.407 -9.282 11.235 1.00 10.00 H new ATOM 0 HE ARG A 17 -10.996 -9.871 9.643 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -9.498 -12.863 10.859 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -10.628 -13.894 9.975 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -12.393 -11.238 8.516 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -12.237 -12.991 8.673 1.00 10.00 H new ATOM 283 N LYS A 18 -9.400 -10.713 6.527 1.00 10.00 N ATOM 284 CA LYS A 18 -10.422 -11.424 5.760 1.00 10.00 C ATOM 285 C LYS A 18 -9.804 -12.418 4.766 1.00 10.00 C ATOM 286 O LYS A 18 -10.117 -13.604 4.806 1.00 10.00 O ATOM 287 CB LYS A 18 -11.313 -10.404 5.037 1.00 10.00 C ATOM 288 CG LYS A 18 -12.442 -11.075 4.239 1.00 10.00 C ATOM 289 CD LYS A 18 -13.141 -10.097 3.280 1.00 10.00 C ATOM 290 CE LYS A 18 -12.207 -9.463 2.233 1.00 10.00 C ATOM 291 NZ LYS A 18 -11.340 -10.455 1.570 1.00 10.00 N ATOM 0 H LYS A 18 -9.495 -9.698 6.483 1.00 10.00 H new ATOM 0 HA LYS A 18 -11.028 -12.010 6.451 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -11.745 -9.720 5.768 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -10.701 -9.805 4.363 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -12.034 -11.910 3.669 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -13.176 -11.489 4.930 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -13.943 -10.624 2.763 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -13.606 -9.303 3.864 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -12.806 -8.950 1.481 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -11.586 -8.708 2.715 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -10.744 -9.978 0.864 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -10.735 -10.916 2.279 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -11.929 -11.171 1.099 1.00 10.00 H new ATOM 305 N CYS A 19 -8.939 -11.950 3.860 1.00 10.00 N ATOM 306 CA CYS A 19 -8.292 -12.797 2.856 1.00 10.00 C ATOM 307 C CYS A 19 -7.506 -13.958 3.493 1.00 10.00 C ATOM 308 O CYS A 19 -7.553 -15.091 3.022 1.00 10.00 O ATOM 309 CB CYS A 19 -7.397 -11.916 1.979 1.00 10.00 C ATOM 310 SG CYS A 19 -6.660 -12.752 0.557 1.00 10.00 S ATOM 0 H CYS A 19 -8.668 -10.968 3.803 1.00 10.00 H new ATOM 0 HA CYS A 19 -9.058 -13.266 2.238 1.00 10.00 H new ATOM 0 HB2 CYS A 19 -7.984 -11.071 1.620 1.00 10.00 H new ATOM 0 HB3 CYS A 19 -6.597 -11.509 2.597 1.00 10.00 H new ATOM 0 HG CYS A 19 -5.928 -11.910 -0.110 1.00 10.00 H new ATOM 315 N LYS A 20 -6.829 -13.676 4.609 1.00 10.00 N ATOM 316 CA LYS A 20 -6.131 -14.641 5.458 1.00 10.00 C ATOM 317 C LYS A 20 -7.088 -15.576 6.234 1.00 10.00 C ATOM 318 O LYS A 20 -6.632 -16.507 6.897 1.00 10.00 O ATOM 319 CB LYS A 20 -5.220 -13.826 6.391 1.00 10.00 C ATOM 320 CG LYS A 20 -4.262 -14.658 7.252 1.00 10.00 C ATOM 321 CD LYS A 20 -3.349 -13.709 8.041 1.00 10.00 C ATOM 322 CE LYS A 20 -2.386 -14.476 8.952 1.00 10.00 C ATOM 323 NZ LYS A 20 -3.108 -15.190 10.021 1.00 10.00 N ATOM 0 H LYS A 20 -6.750 -12.722 4.961 1.00 10.00 H new ATOM 0 HA LYS A 20 -5.544 -15.323 4.843 1.00 10.00 H new ATOM 0 HB2 LYS A 20 -4.633 -13.134 5.787 1.00 10.00 H new ATOM 0 HB3 LYS A 20 -5.846 -13.223 7.049 1.00 10.00 H new ATOM 0 HG2 LYS A 20 -4.825 -15.294 7.935 1.00 10.00 H new ATOM 0 HG3 LYS A 20 -3.665 -15.317 6.622 1.00 10.00 H new ATOM 0 HD2 LYS A 20 -2.779 -13.092 7.347 1.00 10.00 H new ATOM 0 HD3 LYS A 20 -3.958 -13.034 8.642 1.00 10.00 H new ATOM 0 HE2 LYS A 20 -1.813 -15.189 8.359 1.00 10.00 H new ATOM 0 HE3 LYS A 20 -1.671 -13.782 9.395 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 -2.670 -14.974 10.939 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 -4.102 -14.886 10.031 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 -3.061 -16.214 9.847 1.00 10.00 H new ATOM 337 N ILE A 21 -8.406 -15.348 6.171 1.00 10.00 N ATOM 338 CA ILE A 21 -9.460 -16.097 6.858 1.00 10.00 C ATOM 339 C ILE A 21 -9.466 -15.819 8.368 1.00 10.00 C ATOM 340 O ILE A 21 -10.463 -15.338 8.909 1.00 10.00 O ATOM 341 CB ILE A 21 -9.426 -17.606 6.526 1.00 10.00 C ATOM 342 CG1 ILE A 21 -9.289 -17.901 5.019 1.00 10.00 C ATOM 343 CG2 ILE A 21 -10.673 -18.302 7.094 1.00 10.00 C ATOM 344 CD1 ILE A 21 -10.383 -17.282 4.142 1.00 10.00 C ATOM 0 H ILE A 21 -8.785 -14.590 5.604 1.00 10.00 H new ATOM 0 HA ILE A 21 -10.411 -15.731 6.472 1.00 10.00 H new ATOM 0 HB ILE A 21 -8.529 -18.006 6.999 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -8.320 -17.537 4.678 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -9.293 -18.981 4.872 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -10.638 -19.365 6.854 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -10.699 -18.175 8.176 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -11.568 -17.860 6.655 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -10.204 -17.543 3.099 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -11.356 -17.665 4.450 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -10.368 -16.198 4.253 1.00 10.00 H new ATOM 356 N ILE A 22 -8.354 -16.114 9.049 1.00 10.00 N ATOM 357 CA ILE A 22 -8.149 -15.848 10.474 1.00 10.00 C ATOM 358 C ILE A 22 -7.393 -14.527 10.696 1.00 10.00 C ATOM 359 O ILE A 22 -7.908 -13.708 11.489 1.00 10.00 O ATOM 360 CB ILE A 22 -7.475 -17.060 11.147 1.00 10.00 C ATOM 361 CG1 ILE A 22 -7.499 -16.890 12.677 1.00 10.00 C ATOM 362 CG2 ILE A 22 -6.044 -17.311 10.646 1.00 10.00 C ATOM 363 CD1 ILE A 22 -7.038 -18.148 13.419 1.00 10.00 C ATOM 364 OXT ILE A 22 -6.327 -14.349 10.064 1.00 10.00 O ATOM 0 H ILE A 22 -7.548 -16.558 8.609 1.00 10.00 H new ATOM 0 HA ILE A 22 -9.117 -15.714 10.956 1.00 10.00 H new ATOM 0 HB ILE A 22 -8.051 -17.943 10.869 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -6.858 -16.054 12.956 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -8.510 -16.636 12.994 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -5.626 -18.177 11.159 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -6.062 -17.498 9.572 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -5.428 -16.436 10.851 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -7.075 -17.971 14.494 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -7.694 -18.981 13.166 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -6.016 -18.389 13.126 1.00 10.00 H new ATOM 465 N ILE B 7 2.672 9.109 -4.685 1.00 10.00 N ATOM 466 CA ILE B 7 1.695 8.603 -5.645 1.00 10.00 C ATOM 467 C ILE B 7 1.796 7.081 -5.815 1.00 10.00 C ATOM 468 O ILE B 7 0.781 6.389 -5.804 1.00 10.00 O ATOM 469 CB ILE B 7 1.788 9.365 -6.983 1.00 10.00 C ATOM 470 CG1 ILE B 7 3.144 9.177 -7.693 1.00 10.00 C ATOM 471 CG2 ILE B 7 1.484 10.853 -6.750 1.00 10.00 C ATOM 472 CD1 ILE B 7 3.238 9.951 -9.011 1.00 10.00 C ATOM 0 HA ILE B 7 0.699 8.792 -5.244 1.00 10.00 H new ATOM 0 HB ILE B 7 1.041 8.941 -7.655 1.00 10.00 H new ATOM 0 HG12 ILE B 7 3.945 9.502 -7.029 1.00 10.00 H new ATOM 0 HG13 ILE B 7 3.302 8.116 -7.888 1.00 10.00 H new ATOM 0 HG21 ILE B 7 1.550 11.390 -7.696 1.00 10.00 H new ATOM 0 HG22 ILE B 7 0.479 10.959 -6.342 1.00 10.00 H new ATOM 0 HG23 ILE B 7 2.207 11.266 -6.047 1.00 10.00 H new ATOM 0 HD11 ILE B 7 4.214 9.780 -9.465 1.00 10.00 H new ATOM 0 HD12 ILE B 7 2.457 9.609 -9.690 1.00 10.00 H new ATOM 0 HD13 ILE B 7 3.109 11.016 -8.818 1.00 10.00 H new ATOM 484 N GLU B 8 3.017 6.544 -5.920 1.00 10.00 N ATOM 485 CA GLU B 8 3.251 5.110 -6.040 1.00 10.00 C ATOM 486 C GLU B 8 2.845 4.391 -4.748 1.00 10.00 C ATOM 487 O GLU B 8 2.153 3.378 -4.788 1.00 10.00 O ATOM 488 CB GLU B 8 4.724 4.872 -6.406 1.00 10.00 C ATOM 489 CG GLU B 8 5.071 3.378 -6.541 1.00 10.00 C ATOM 490 CD GLU B 8 4.209 2.649 -7.569 1.00 10.00 C ATOM 491 OE1 GLU B 8 4.187 3.120 -8.727 1.00 10.00 O ATOM 492 OE2 GLU B 8 3.588 1.637 -7.178 1.00 10.00 O ATOM 0 H GLU B 8 3.872 7.100 -5.924 1.00 10.00 H new ATOM 0 HA GLU B 8 2.633 4.693 -6.835 1.00 10.00 H new ATOM 0 HB2 GLU B 8 4.947 5.378 -7.345 1.00 10.00 H new ATOM 0 HB3 GLU B 8 5.360 5.321 -5.643 1.00 10.00 H new ATOM 0 HG2 GLU B 8 6.120 3.279 -6.821 1.00 10.00 H new ATOM 0 HG3 GLU B 8 4.953 2.896 -5.571 1.00 10.00 H new ATOM 499 N ALA B 9 3.251 4.938 -3.599 1.00 10.00 N ATOM 500 CA ALA B 9 2.860 4.427 -2.288 1.00 10.00 C ATOM 501 C ALA B 9 1.331 4.326 -2.154 1.00 10.00 C ATOM 502 O ALA B 9 0.786 3.254 -1.884 1.00 10.00 O ATOM 503 CB ALA B 9 3.493 5.294 -1.197 1.00 10.00 C ATOM 0 H ALA B 9 3.864 5.752 -3.555 1.00 10.00 H new ATOM 0 HA ALA B 9 3.234 3.410 -2.171 1.00 10.00 H new ATOM 0 HB1 ALA B 9 3.203 4.915 -0.217 1.00 10.00 H new ATOM 0 HB2 ALA B 9 4.578 5.263 -1.291 1.00 10.00 H new ATOM 0 HB3 ALA B 9 3.149 6.323 -1.304 1.00 10.00 H new ATOM 509 N ARG B 10 0.636 5.444 -2.384 1.00 10.00 N ATOM 510 CA ARG B 10 -0.820 5.521 -2.349 1.00 10.00 C ATOM 511 C ARG B 10 -1.480 4.577 -3.367 1.00 10.00 C ATOM 512 O ARG B 10 -2.421 3.859 -3.026 1.00 10.00 O ATOM 513 CB ARG B 10 -1.248 6.981 -2.542 1.00 10.00 C ATOM 514 CG ARG B 10 -2.768 7.138 -2.397 1.00 10.00 C ATOM 515 CD ARG B 10 -3.166 8.615 -2.326 1.00 10.00 C ATOM 516 NE ARG B 10 -2.748 9.219 -1.051 1.00 10.00 N ATOM 517 CZ ARG B 10 -3.077 10.447 -0.635 1.00 10.00 C ATOM 518 NH1 ARG B 10 -3.783 11.265 -1.410 1.00 10.00 N ATOM 519 NH2 ARG B 10 -2.706 10.855 0.573 1.00 10.00 N ATOM 0 H ARG B 10 1.082 6.335 -2.603 1.00 10.00 H new ATOM 0 HA ARG B 10 -1.168 5.179 -1.374 1.00 10.00 H new ATOM 0 HB2 ARG B 10 -0.743 7.611 -1.809 1.00 10.00 H new ATOM 0 HB3 ARG B 10 -0.936 7.327 -3.528 1.00 10.00 H new ATOM 0 HG2 ARG B 10 -3.268 6.664 -3.242 1.00 10.00 H new ATOM 0 HG3 ARG B 10 -3.106 6.624 -1.497 1.00 10.00 H new ATOM 0 HD2 ARG B 10 -2.710 9.157 -3.155 1.00 10.00 H new ATOM 0 HD3 ARG B 10 -4.246 8.709 -2.439 1.00 10.00 H new ATOM 0 HE ARG B 10 -2.161 8.657 -0.435 1.00 10.00 H new ATOM 0 HH11 ARG B 10 -4.082 10.959 -2.336 1.00 10.00 H new ATOM 0 HH12 ARG B 10 -4.026 12.198 -1.078 1.00 10.00 H new ATOM 0 HH21 ARG B 10 -2.172 10.233 1.180 1.00 10.00 H new ATOM 0 HH22 ARG B 10 -2.955 11.791 0.894 1.00 10.00 H new ATOM 533 N LYS B 11 -0.997 4.548 -4.614 1.00 10.00 N ATOM 534 CA LYS B 11 -1.518 3.618 -5.609 1.00 10.00 C ATOM 535 C LYS B 11 -1.334 2.156 -5.192 1.00 10.00 C ATOM 536 O LYS B 11 -2.310 1.410 -5.186 1.00 10.00 O ATOM 537 CB LYS B 11 -0.924 3.885 -7.000 1.00 10.00 C ATOM 538 CG LYS B 11 -1.575 5.074 -7.727 1.00 10.00 C ATOM 539 CD LYS B 11 -3.105 4.985 -7.893 1.00 10.00 C ATOM 540 CE LYS B 11 -3.586 3.615 -8.392 1.00 10.00 C ATOM 541 NZ LYS B 11 -5.053 3.582 -8.520 1.00 10.00 N ATOM 0 H LYS B 11 -0.251 5.156 -4.952 1.00 10.00 H new ATOM 0 HA LYS B 11 -2.592 3.796 -5.670 1.00 10.00 H new ATOM 0 HB2 LYS B 11 0.145 4.072 -6.900 1.00 10.00 H new ATOM 0 HB3 LYS B 11 -1.035 2.990 -7.612 1.00 10.00 H new ATOM 0 HG2 LYS B 11 -1.338 5.987 -7.181 1.00 10.00 H new ATOM 0 HG3 LYS B 11 -1.123 5.167 -8.715 1.00 10.00 H new ATOM 0 HD2 LYS B 11 -3.580 5.202 -6.936 1.00 10.00 H new ATOM 0 HD3 LYS B 11 -3.432 5.754 -8.593 1.00 10.00 H new ATOM 0 HE2 LYS B 11 -3.129 3.395 -9.357 1.00 10.00 H new ATOM 0 HE3 LYS B 11 -3.261 2.838 -7.700 1.00 10.00 H new ATOM 0 HZ1 LYS B 11 -5.379 2.594 -8.523 1.00 10.00 H new ATOM 0 HZ2 LYS B 11 -5.483 4.086 -7.718 1.00 10.00 H new ATOM 0 HZ3 LYS B 11 -5.334 4.042 -9.409 1.00 10.00 H new ATOM 555 N TYR B 12 -0.124 1.714 -4.833 1.00 10.00 N ATOM 556 CA TYR B 12 0.056 0.320 -4.436 1.00 10.00 C ATOM 557 C TYR B 12 -0.769 -0.022 -3.185 1.00 10.00 C ATOM 558 O TYR B 12 -1.395 -1.077 -3.153 1.00 10.00 O ATOM 559 CB TYR B 12 1.538 -0.092 -4.374 1.00 10.00 C ATOM 560 CG TYR B 12 2.170 -0.147 -2.998 1.00 10.00 C ATOM 561 CD1 TYR B 12 1.852 -1.202 -2.120 1.00 10.00 C ATOM 562 CD2 TYR B 12 3.173 0.773 -2.643 1.00 10.00 C ATOM 563 CE1 TYR B 12 2.448 -1.265 -0.851 1.00 10.00 C ATOM 564 CE2 TYR B 12 3.769 0.710 -1.372 1.00 10.00 C ATOM 565 CZ TYR B 12 3.395 -0.303 -0.476 1.00 10.00 C ATOM 566 OH TYR B 12 3.947 -0.359 0.760 1.00 10.00 O ATOM 0 H TYR B 12 0.721 2.285 -4.810 1.00 10.00 H new ATOM 0 HA TYR B 12 -0.354 -0.310 -5.226 1.00 10.00 H new ATOM 0 HB2 TYR B 12 1.638 -1.075 -4.834 1.00 10.00 H new ATOM 0 HB3 TYR B 12 2.111 0.606 -4.985 1.00 10.00 H new ATOM 0 HD1 TYR B 12 1.149 -1.963 -2.424 1.00 10.00 H new ATOM 0 HD2 TYR B 12 3.486 1.529 -3.348 1.00 10.00 H new ATOM 0 HE1 TYR B 12 2.177 -2.054 -0.165 1.00 10.00 H new ATOM 0 HE2 TYR B 12 4.513 1.439 -1.086 1.00 10.00 H new ATOM 0 HH TYR B 12 3.265 -0.150 1.432 1.00 10.00 H new ATOM 576 N LEU B 13 -0.838 0.875 -2.188 1.00 10.00 N ATOM 577 CA LEU B 13 -1.799 0.772 -1.083 1.00 10.00 C ATOM 578 C LEU B 13 -3.220 0.490 -1.605 1.00 10.00 C ATOM 579 O LEU B 13 -3.826 -0.525 -1.258 1.00 10.00 O ATOM 580 CB LEU B 13 -1.724 2.054 -0.231 1.00 10.00 C ATOM 581 CG LEU B 13 -2.881 2.281 0.760 1.00 10.00 C ATOM 582 CD1 LEU B 13 -3.003 1.153 1.786 1.00 10.00 C ATOM 583 CD2 LEU B 13 -2.655 3.604 1.501 1.00 10.00 C ATOM 0 H LEU B 13 -0.229 1.691 -2.127 1.00 10.00 H new ATOM 0 HA LEU B 13 -1.540 -0.075 -0.448 1.00 10.00 H new ATOM 0 HB2 LEU B 13 -0.790 2.038 0.331 1.00 10.00 H new ATOM 0 HB3 LEU B 13 -1.676 2.910 -0.904 1.00 10.00 H new ATOM 0 HG LEU B 13 -3.806 2.306 0.183 1.00 10.00 H new ATOM 0 HD11 LEU B 13 -3.834 1.363 2.460 1.00 10.00 H new ATOM 0 HD12 LEU B 13 -3.183 0.210 1.270 1.00 10.00 H new ATOM 0 HD13 LEU B 13 -2.079 1.082 2.360 1.00 10.00 H new ATOM 0 HD21 LEU B 13 -3.471 3.771 2.204 1.00 10.00 H new ATOM 0 HD22 LEU B 13 -1.711 3.560 2.044 1.00 10.00 H new ATOM 0 HD23 LEU B 13 -2.622 4.423 0.782 1.00 10.00 H new ATOM 595 N GLU B 14 -3.741 1.376 -2.463 1.00 10.00 N ATOM 596 CA GLU B 14 -5.066 1.241 -3.061 1.00 10.00 C ATOM 597 C GLU B 14 -5.252 -0.110 -3.775 1.00 10.00 C ATOM 598 O GLU B 14 -6.174 -0.859 -3.457 1.00 10.00 O ATOM 599 CB GLU B 14 -5.310 2.430 -4.005 1.00 10.00 C ATOM 600 CG GLU B 14 -6.765 2.463 -4.505 1.00 10.00 C ATOM 601 CD GLU B 14 -7.022 3.530 -5.569 1.00 10.00 C ATOM 602 OE1 GLU B 14 -6.088 4.310 -5.856 1.00 10.00 O ATOM 603 OE2 GLU B 14 -8.155 3.529 -6.099 1.00 10.00 O ATOM 0 H GLU B 14 -3.245 2.215 -2.762 1.00 10.00 H new ATOM 0 HA GLU B 14 -5.812 1.255 -2.267 1.00 10.00 H new ATOM 0 HB2 GLU B 14 -5.081 3.361 -3.486 1.00 10.00 H new ATOM 0 HB3 GLU B 14 -4.633 2.365 -4.857 1.00 10.00 H new ATOM 0 HG2 GLU B 14 -7.023 1.486 -4.913 1.00 10.00 H new ATOM 0 HG3 GLU B 14 -7.428 2.640 -3.658 1.00 10.00 H new ATOM 610 N GLN B 15 -4.387 -0.433 -4.741 1.00 10.00 N ATOM 611 CA GLN B 15 -4.484 -1.672 -5.512 1.00 10.00 C ATOM 612 C GLN B 15 -4.358 -2.918 -4.622 1.00 10.00 C ATOM 613 O GLN B 15 -5.130 -3.863 -4.769 1.00 10.00 O ATOM 614 CB GLN B 15 -3.440 -1.691 -6.640 1.00 10.00 C ATOM 615 CG GLN B 15 -3.566 -0.529 -7.641 1.00 10.00 C ATOM 616 CD GLN B 15 -4.964 -0.349 -8.217 1.00 10.00 C ATOM 617 OE1 GLN B 15 -5.592 0.691 -8.044 1.00 10.00 O ATOM 618 NE2 GLN B 15 -5.482 -1.348 -8.916 1.00 10.00 N ATOM 0 H GLN B 15 -3.600 0.158 -5.009 1.00 10.00 H new ATOM 0 HA GLN B 15 -5.478 -1.701 -5.959 1.00 10.00 H new ATOM 0 HB2 GLN B 15 -2.444 -1.667 -6.198 1.00 10.00 H new ATOM 0 HB3 GLN B 15 -3.526 -2.633 -7.182 1.00 10.00 H new ATOM 0 HG2 GLN B 15 -3.267 0.395 -7.147 1.00 10.00 H new ATOM 0 HG3 GLN B 15 -2.866 -0.693 -8.460 1.00 10.00 H new ATOM 0 HE21 GLN B 15 -4.948 -2.206 -9.051 1.00 10.00 H new ATOM 0 HE22 GLN B 15 -6.415 -1.259 -9.319 1.00 10.00 H new ATOM 627 N LEU B 16 -3.406 -2.931 -3.686 1.00 10.00 N ATOM 628 CA LEU B 16 -3.234 -4.028 -2.739 1.00 10.00 C ATOM 629 C LEU B 16 -4.503 -4.230 -1.899 1.00 10.00 C ATOM 630 O LEU B 16 -5.045 -5.334 -1.849 1.00 10.00 O ATOM 631 CB LEU B 16 -1.988 -3.770 -1.882 1.00 10.00 C ATOM 632 CG LEU B 16 -1.677 -4.870 -0.855 1.00 10.00 C ATOM 633 CD1 LEU B 16 -1.558 -6.258 -1.497 1.00 10.00 C ATOM 634 CD2 LEU B 16 -0.354 -4.534 -0.158 1.00 10.00 C ATOM 0 H LEU B 16 -2.731 -2.176 -3.566 1.00 10.00 H new ATOM 0 HA LEU B 16 -3.077 -4.961 -3.280 1.00 10.00 H new ATOM 0 HB2 LEU B 16 -1.128 -3.653 -2.541 1.00 10.00 H new ATOM 0 HB3 LEU B 16 -2.116 -2.825 -1.355 1.00 10.00 H new ATOM 0 HG LEU B 16 -2.505 -4.904 -0.147 1.00 10.00 H new ATOM 0 HD11 LEU B 16 -1.338 -6.997 -0.727 1.00 10.00 H new ATOM 0 HD12 LEU B 16 -2.497 -6.514 -1.988 1.00 10.00 H new ATOM 0 HD13 LEU B 16 -0.754 -6.251 -2.233 1.00 10.00 H new ATOM 0 HD21 LEU B 16 -0.122 -5.308 0.574 1.00 10.00 H new ATOM 0 HD22 LEU B 16 0.445 -4.483 -0.898 1.00 10.00 H new ATOM 0 HD23 LEU B 16 -0.443 -3.572 0.347 1.00 10.00 H new ATOM 646 N HIS B 17 -5.022 -3.162 -1.285 1.00 10.00 N ATOM 647 CA HIS B 17 -6.310 -3.208 -0.597 1.00 10.00 C ATOM 648 C HIS B 17 -7.432 -3.732 -1.512 1.00 10.00 C ATOM 649 O HIS B 17 -8.187 -4.618 -1.118 1.00 10.00 O ATOM 650 CB HIS B 17 -6.634 -1.818 -0.041 1.00 10.00 C ATOM 651 CG HIS B 17 -7.982 -1.720 0.626 1.00 10.00 C ATOM 652 ND1 HIS B 17 -8.651 -2.721 1.304 1.00 10.00 N ATOM 653 CD2 HIS B 17 -8.795 -0.618 0.605 1.00 10.00 C ATOM 654 CE1 HIS B 17 -9.840 -2.217 1.678 1.00 10.00 C ATOM 655 NE2 HIS B 17 -9.974 -0.944 1.277 1.00 10.00 N ATOM 0 H HIS B 17 -4.564 -2.251 -1.252 1.00 10.00 H new ATOM 0 HA HIS B 17 -6.241 -3.914 0.231 1.00 10.00 H new ATOM 0 HB2 HIS B 17 -5.864 -1.538 0.678 1.00 10.00 H new ATOM 0 HB3 HIS B 17 -6.590 -1.094 -0.854 1.00 10.00 H new ATOM 0 HD1 HIS B 17 -8.308 -3.664 1.486 1.00 10.00 H new ATOM 0 HD2 HIS B 17 -8.565 0.334 0.150 1.00 10.00 H new ATOM 0 HE1 HIS B 17 -10.589 -2.765 2.229 1.00 10.00 H new ATOM 663 N ARG B 18 -7.535 -3.208 -2.739 1.00 10.00 N ATOM 664 CA ARG B 18 -8.504 -3.658 -3.736 1.00 10.00 C ATOM 665 C ARG B 18 -8.415 -5.174 -3.976 1.00 10.00 C ATOM 666 O ARG B 18 -9.423 -5.873 -3.917 1.00 10.00 O ATOM 667 CB ARG B 18 -8.307 -2.873 -5.041 1.00 10.00 C ATOM 668 CG ARG B 18 -9.509 -3.003 -5.983 1.00 10.00 C ATOM 669 CD ARG B 18 -9.146 -2.546 -7.403 1.00 10.00 C ATOM 670 NE ARG B 18 -8.446 -1.250 -7.416 1.00 10.00 N ATOM 671 CZ ARG B 18 -8.996 -0.044 -7.245 1.00 10.00 C ATOM 672 NH1 ARG B 18 -10.293 0.093 -6.988 1.00 10.00 N ATOM 673 NH2 ARG B 18 -8.228 1.035 -7.331 1.00 10.00 N ATOM 0 H ARG B 18 -6.938 -2.449 -3.068 1.00 10.00 H new ATOM 0 HA ARG B 18 -9.506 -3.461 -3.354 1.00 10.00 H new ATOM 0 HB2 ARG B 18 -8.142 -1.821 -4.809 1.00 10.00 H new ATOM 0 HB3 ARG B 18 -7.411 -3.232 -5.547 1.00 10.00 H new ATOM 0 HG2 ARG B 18 -9.848 -4.039 -6.006 1.00 10.00 H new ATOM 0 HG3 ARG B 18 -10.338 -2.405 -5.605 1.00 10.00 H new ATOM 0 HD2 ARG B 18 -8.516 -3.300 -7.874 1.00 10.00 H new ATOM 0 HD3 ARG B 18 -10.054 -2.471 -8.001 1.00 10.00 H new ATOM 0 HE ARG B 18 -7.438 -1.276 -7.571 1.00 10.00 H new ATOM 0 HH11 ARG B 18 -10.889 -0.732 -6.918 1.00 10.00 H new ATOM 0 HH12 ARG B 18 -10.692 1.023 -6.861 1.00 10.00 H new ATOM 0 HH21 ARG B 18 -7.231 0.938 -7.525 1.00 10.00 H new ATOM 0 HH22 ARG B 18 -8.634 1.962 -7.203 1.00 10.00 H new ATOM 687 N LYS B 19 -7.210 -5.697 -4.223 1.00 10.00 N ATOM 688 CA LYS B 19 -6.974 -7.133 -4.377 1.00 10.00 C ATOM 689 C LYS B 19 -7.390 -7.912 -3.119 1.00 10.00 C ATOM 690 O LYS B 19 -8.151 -8.875 -3.204 1.00 10.00 O ATOM 691 CB LYS B 19 -5.500 -7.380 -4.723 1.00 10.00 C ATOM 692 CG LYS B 19 -5.171 -6.903 -6.143 1.00 10.00 C ATOM 693 CD LYS B 19 -3.663 -7.038 -6.397 1.00 10.00 C ATOM 694 CE LYS B 19 -3.274 -6.505 -7.780 1.00 10.00 C ATOM 695 NZ LYS B 19 -3.870 -7.310 -8.863 1.00 10.00 N ATOM 0 H LYS B 19 -6.367 -5.131 -4.322 1.00 10.00 H new ATOM 0 HA LYS B 19 -7.594 -7.500 -5.195 1.00 10.00 H new ATOM 0 HB2 LYS B 19 -4.864 -6.860 -4.006 1.00 10.00 H new ATOM 0 HB3 LYS B 19 -5.277 -8.443 -4.634 1.00 10.00 H new ATOM 0 HG2 LYS B 19 -5.727 -7.492 -6.873 1.00 10.00 H new ATOM 0 HG3 LYS B 19 -5.479 -5.865 -6.269 1.00 10.00 H new ATOM 0 HD2 LYS B 19 -3.114 -6.493 -5.629 1.00 10.00 H new ATOM 0 HD3 LYS B 19 -3.372 -8.085 -6.315 1.00 10.00 H new ATOM 0 HE2 LYS B 19 -3.599 -5.469 -7.875 1.00 10.00 H new ATOM 0 HE3 LYS B 19 -2.189 -6.509 -7.879 1.00 10.00 H new ATOM 0 HZ1 LYS B 19 -3.504 -6.983 -9.780 1.00 10.00 H new ATOM 0 HZ2 LYS B 19 -3.622 -8.311 -8.728 1.00 10.00 H new ATOM 0 HZ3 LYS B 19 -4.904 -7.204 -8.845 1.00 10.00 H new ATOM 709 N LEU B 20 -6.922 -7.490 -1.943 1.00 10.00 N ATOM 710 CA LEU B 20 -7.273 -8.126 -0.672 1.00 10.00 C ATOM 711 C LEU B 20 -8.783 -8.073 -0.381 1.00 10.00 C ATOM 712 O LEU B 20 -9.322 -8.981 0.244 1.00 10.00 O ATOM 713 CB LEU B 20 -6.450 -7.506 0.463 1.00 10.00 C ATOM 714 CG LEU B 20 -4.941 -7.775 0.323 1.00 10.00 C ATOM 715 CD1 LEU B 20 -4.189 -6.881 1.310 1.00 10.00 C ATOM 716 CD2 LEU B 20 -4.583 -9.243 0.586 1.00 10.00 C ATOM 0 H LEU B 20 -6.288 -6.697 -1.845 1.00 10.00 H new ATOM 0 HA LEU B 20 -7.025 -9.185 -0.746 1.00 10.00 H new ATOM 0 HB2 LEU B 20 -6.622 -6.430 0.484 1.00 10.00 H new ATOM 0 HB3 LEU B 20 -6.798 -7.903 1.417 1.00 10.00 H new ATOM 0 HG LEU B 20 -4.652 -7.551 -0.704 1.00 10.00 H new ATOM 0 HD11 LEU B 20 -3.118 -7.062 1.221 1.00 10.00 H new ATOM 0 HD12 LEU B 20 -4.400 -5.835 1.087 1.00 10.00 H new ATOM 0 HD13 LEU B 20 -4.512 -7.108 2.326 1.00 10.00 H new ATOM 0 HD21 LEU B 20 -3.507 -9.381 0.475 1.00 10.00 H new ATOM 0 HD22 LEU B 20 -4.881 -9.514 1.599 1.00 10.00 H new ATOM 0 HD23 LEU B 20 -5.106 -9.879 -0.128 1.00 10.00 H new ATOM 728 N LYS B 21 -9.492 -7.044 -0.851 1.00 10.00 N ATOM 729 CA LYS B 21 -10.952 -7.030 -0.857 1.00 10.00 C ATOM 730 C LYS B 21 -11.503 -8.078 -1.842 1.00 10.00 C ATOM 731 O LYS B 21 -12.273 -8.957 -1.455 1.00 10.00 O ATOM 732 CB LYS B 21 -11.435 -5.608 -1.170 1.00 10.00 C ATOM 733 CG LYS B 21 -12.960 -5.484 -1.068 1.00 10.00 C ATOM 734 CD LYS B 21 -13.415 -4.017 -1.132 1.00 10.00 C ATOM 735 CE LYS B 21 -12.924 -3.268 -2.379 1.00 10.00 C ATOM 736 NZ LYS B 21 -13.299 -3.963 -3.622 1.00 10.00 N ATOM 0 H LYS B 21 -9.069 -6.200 -1.237 1.00 10.00 H new ATOM 0 HA LYS B 21 -11.335 -7.307 0.125 1.00 10.00 H new ATOM 0 HB2 LYS B 21 -10.967 -4.906 -0.480 1.00 10.00 H new ATOM 0 HB3 LYS B 21 -11.115 -5.329 -2.174 1.00 10.00 H new ATOM 0 HG2 LYS B 21 -13.426 -6.046 -1.878 1.00 10.00 H new ATOM 0 HG3 LYS B 21 -13.300 -5.930 -0.134 1.00 10.00 H new ATOM 0 HD2 LYS B 21 -14.504 -3.983 -1.105 1.00 10.00 H new ATOM 0 HD3 LYS B 21 -13.058 -3.497 -0.243 1.00 10.00 H new ATOM 0 HE2 LYS B 21 -13.342 -2.262 -2.386 1.00 10.00 H new ATOM 0 HE3 LYS B 21 -11.840 -3.162 -2.335 1.00 10.00 H new ATOM 0 HZ1 LYS B 21 -13.024 -3.383 -4.440 1.00 10.00 H new ATOM 0 HZ2 LYS B 21 -12.811 -4.880 -3.668 1.00 10.00 H new ATOM 0 HZ3 LYS B 21 -14.327 -4.117 -3.637 1.00 10.00 H new ATOM 750 N ASN B 22 -11.089 -8.006 -3.113 1.00 10.00 N ATOM 751 CA ASN B 22 -11.498 -8.918 -4.187 1.00 10.00 C ATOM 752 C ASN B 22 -11.258 -10.397 -3.835 1.00 10.00 C ATOM 753 O ASN B 22 -11.993 -11.266 -4.299 1.00 10.00 O ATOM 754 CB ASN B 22 -10.774 -8.524 -5.487 1.00 10.00 C ATOM 755 CG ASN B 22 -11.491 -8.947 -6.769 1.00 10.00 C ATOM 756 OD1 ASN B 22 -11.527 -8.193 -7.732 1.00 10.00 O ATOM 757 ND2 ASN B 22 -12.077 -10.135 -6.834 1.00 10.00 N ATOM 0 H ASN B 22 -10.439 -7.288 -3.432 1.00 10.00 H new ATOM 0 HA ASN B 22 -12.575 -8.819 -4.325 1.00 10.00 H new ATOM 0 HB2 ASN B 22 -10.642 -7.442 -5.500 1.00 10.00 H new ATOM 0 HB3 ASN B 22 -9.778 -8.966 -5.481 1.00 10.00 H new ATOM 0 HD21 ASN B 22 -12.558 -10.420 -7.687 1.00 10.00 H new ATOM 0 HD22 ASN B 22 -12.047 -10.763 -6.031 1.00 10.00 H new ATOM 914 N PRO C 7 5.865 5.901 5.086 1.00 10.00 N ATOM 915 CA PRO C 7 6.827 4.817 4.888 1.00 10.00 C ATOM 916 C PRO C 7 6.636 3.625 5.839 1.00 10.00 C ATOM 917 O PRO C 7 6.727 2.474 5.415 1.00 10.00 O ATOM 918 CB PRO C 7 8.204 5.466 5.049 1.00 10.00 C ATOM 919 CG PRO C 7 7.960 6.878 4.522 1.00 10.00 C ATOM 920 CD PRO C 7 6.547 7.184 5.018 1.00 10.00 C ATOM 0 HA PRO C 7 6.692 4.371 3.903 1.00 10.00 H new ATOM 0 HB2 PRO C 7 8.533 5.471 6.088 1.00 10.00 H new ATOM 0 HB3 PRO C 7 8.970 4.944 4.475 1.00 10.00 H new ATOM 0 HG2 PRO C 7 8.689 7.588 4.914 1.00 10.00 H new ATOM 0 HG3 PRO C 7 8.025 6.921 3.435 1.00 10.00 H new ATOM 0 HD2 PRO C 7 6.571 7.666 5.995 1.00 10.00 H new ATOM 0 HD3 PRO C 7 6.033 7.865 4.339 1.00 10.00 H new ATOM 928 N GLY C 8 6.319 3.893 7.111 1.00 10.00 N ATOM 929 CA GLY C 8 5.920 2.896 8.104 1.00 10.00 C ATOM 930 C GLY C 8 4.940 1.837 7.579 1.00 10.00 C ATOM 931 O GLY C 8 5.084 0.658 7.893 1.00 10.00 O ATOM 0 H GLY C 8 6.334 4.841 7.487 1.00 10.00 H new ATOM 0 HA2 GLY C 8 6.813 2.394 8.477 1.00 10.00 H new ATOM 0 HA3 GLY C 8 5.464 3.407 8.952 1.00 10.00 H new ATOM 935 N PHE C 9 3.963 2.230 6.753 1.00 10.00 N ATOM 936 CA PHE C 9 3.080 1.279 6.077 1.00 10.00 C ATOM 937 C PHE C 9 3.873 0.313 5.180 1.00 10.00 C ATOM 938 O PHE C 9 3.679 -0.899 5.229 1.00 10.00 O ATOM 939 CB PHE C 9 2.015 2.042 5.274 1.00 10.00 C ATOM 940 CG PHE C 9 1.257 1.183 4.285 1.00 10.00 C ATOM 941 CD1 PHE C 9 0.506 0.088 4.748 1.00 10.00 C ATOM 942 CD2 PHE C 9 1.439 1.370 2.902 1.00 10.00 C ATOM 943 CE1 PHE C 9 -0.073 -0.805 3.832 1.00 10.00 C ATOM 944 CE2 PHE C 9 0.876 0.465 1.987 1.00 10.00 C ATOM 945 CZ PHE C 9 0.125 -0.626 2.452 1.00 10.00 C ATOM 0 H PHE C 9 3.765 3.207 6.537 1.00 10.00 H new ATOM 0 HA PHE C 9 2.581 0.671 6.832 1.00 10.00 H new ATOM 0 HB2 PHE C 9 1.305 2.492 5.968 1.00 10.00 H new ATOM 0 HB3 PHE C 9 2.496 2.859 4.736 1.00 10.00 H new ATOM 0 HD1 PHE C 9 0.374 -0.066 5.809 1.00 10.00 H new ATOM 0 HD2 PHE C 9 2.013 2.212 2.543 1.00 10.00 H new ATOM 0 HE1 PHE C 9 -0.671 -1.631 4.188 1.00 10.00 H new ATOM 0 HE2 PHE C 9 1.021 0.608 0.926 1.00 10.00 H new ATOM 0 HZ PHE C 9 -0.300 -1.328 1.750 1.00 10.00 H new ATOM 955 N THR C 10 4.806 0.839 4.385 1.00 10.00 N ATOM 956 CA THR C 10 5.657 0.014 3.527 1.00 10.00 C ATOM 957 C THR C 10 6.571 -0.890 4.359 1.00 10.00 C ATOM 958 O THR C 10 6.715 -2.072 4.057 1.00 10.00 O ATOM 959 CB THR C 10 6.439 0.891 2.539 1.00 10.00 C ATOM 960 OG1 THR C 10 5.531 1.641 1.755 1.00 10.00 O ATOM 961 CG2 THR C 10 7.284 0.049 1.583 1.00 10.00 C ATOM 0 H THR C 10 4.992 1.840 4.318 1.00 10.00 H new ATOM 0 HA THR C 10 5.021 -0.646 2.938 1.00 10.00 H new ATOM 0 HB THR C 10 7.093 1.538 3.124 1.00 10.00 H new ATOM 0 HG1 THR C 10 4.807 1.058 1.445 1.00 10.00 H new ATOM 0 HG21 THR C 10 7.823 0.705 0.899 1.00 10.00 H new ATOM 0 HG22 THR C 10 7.998 -0.544 2.155 1.00 10.00 H new ATOM 0 HG23 THR C 10 6.635 -0.615 1.013 1.00 10.00 H new ATOM 969 N ALA C 11 7.160 -0.358 5.435 1.00 10.00 N ATOM 970 CA ALA C 11 7.914 -1.163 6.393 1.00 10.00 C ATOM 971 C ALA C 11 7.061 -2.309 6.968 1.00 10.00 C ATOM 972 O ALA C 11 7.489 -3.466 6.983 1.00 10.00 O ATOM 973 CB ALA C 11 8.479 -0.259 7.490 1.00 10.00 C ATOM 0 H ALA C 11 7.126 0.636 5.663 1.00 10.00 H new ATOM 0 HA ALA C 11 8.748 -1.637 5.875 1.00 10.00 H new ATOM 0 HB1 ALA C 11 9.041 -0.861 8.204 1.00 10.00 H new ATOM 0 HB2 ALA C 11 9.139 0.485 7.044 1.00 10.00 H new ATOM 0 HB3 ALA C 11 7.660 0.244 8.005 1.00 10.00 H new ATOM 979 N LEU C 12 5.831 -2.008 7.398 1.00 10.00 N ATOM 980 CA LEU C 12 4.858 -3.014 7.814 1.00 10.00 C ATOM 981 C LEU C 12 4.638 -4.068 6.721 1.00 10.00 C ATOM 982 O LEU C 12 4.821 -5.252 6.977 1.00 10.00 O ATOM 983 CB LEU C 12 3.558 -2.339 8.272 1.00 10.00 C ATOM 984 CG LEU C 12 2.531 -3.332 8.847 1.00 10.00 C ATOM 985 CD1 LEU C 12 1.687 -2.617 9.901 1.00 10.00 C ATOM 986 CD2 LEU C 12 1.584 -3.896 7.776 1.00 10.00 C ATOM 0 H LEU C 12 5.484 -1.051 7.466 1.00 10.00 H new ATOM 0 HA LEU C 12 5.256 -3.556 8.672 1.00 10.00 H new ATOM 0 HB2 LEU C 12 3.792 -1.589 9.028 1.00 10.00 H new ATOM 0 HB3 LEU C 12 3.112 -1.813 7.428 1.00 10.00 H new ATOM 0 HG LEU C 12 3.091 -4.165 9.272 1.00 10.00 H new ATOM 0 HD11 LEU C 12 0.956 -3.312 10.315 1.00 10.00 H new ATOM 0 HD12 LEU C 12 2.334 -2.253 10.699 1.00 10.00 H new ATOM 0 HD13 LEU C 12 1.168 -1.775 9.442 1.00 10.00 H new ATOM 0 HD21 LEU C 12 0.883 -4.590 8.239 1.00 10.00 H new ATOM 0 HD22 LEU C 12 1.032 -3.079 7.311 1.00 10.00 H new ATOM 0 HD23 LEU C 12 2.164 -4.420 7.017 1.00 10.00 H new ATOM 998 N ILE C 13 4.278 -3.667 5.496 1.00 10.00 N ATOM 999 CA ILE C 13 4.094 -4.607 4.384 1.00 10.00 C ATOM 1000 C ILE C 13 5.331 -5.495 4.164 1.00 10.00 C ATOM 1001 O ILE C 13 5.207 -6.716 4.085 1.00 10.00 O ATOM 1002 CB ILE C 13 3.683 -3.856 3.102 1.00 10.00 C ATOM 1003 CG1 ILE C 13 2.272 -3.247 3.210 1.00 10.00 C ATOM 1004 CG2 ILE C 13 3.776 -4.749 1.855 1.00 10.00 C ATOM 1005 CD1 ILE C 13 1.136 -4.264 3.382 1.00 10.00 C ATOM 0 H ILE C 13 4.108 -2.692 5.249 1.00 10.00 H new ATOM 0 HA ILE C 13 3.281 -5.282 4.650 1.00 10.00 H new ATOM 0 HB ILE C 13 4.397 -3.040 2.993 1.00 10.00 H new ATOM 0 HG12 ILE C 13 2.254 -2.559 4.055 1.00 10.00 H new ATOM 0 HG13 ILE C 13 2.078 -2.657 2.314 1.00 10.00 H new ATOM 0 HG21 ILE C 13 3.477 -4.178 0.976 1.00 10.00 H new ATOM 0 HG22 ILE C 13 4.802 -5.095 1.731 1.00 10.00 H new ATOM 0 HG23 ILE C 13 3.115 -5.608 1.972 1.00 10.00 H new ATOM 0 HD11 ILE C 13 0.184 -3.738 3.448 1.00 10.00 H new ATOM 0 HD12 ILE C 13 1.119 -4.939 2.526 1.00 10.00 H new ATOM 0 HD13 ILE C 13 1.297 -4.839 4.294 1.00 10.00 H new ATOM 1017 N LYS C 14 6.525 -4.904 4.079 1.00 10.00 N ATOM 1018 CA LYS C 14 7.768 -5.656 3.914 1.00 10.00 C ATOM 1019 C LYS C 14 7.986 -6.664 5.053 1.00 10.00 C ATOM 1020 O LYS C 14 8.170 -7.855 4.805 1.00 10.00 O ATOM 1021 CB LYS C 14 8.949 -4.684 3.784 1.00 10.00 C ATOM 1022 CG LYS C 14 8.934 -3.990 2.416 1.00 10.00 C ATOM 1023 CD LYS C 14 10.067 -2.963 2.334 1.00 10.00 C ATOM 1024 CE LYS C 14 10.152 -2.393 0.915 1.00 10.00 C ATOM 1025 NZ LYS C 14 11.166 -1.326 0.832 1.00 10.00 N ATOM 0 H LYS C 14 6.656 -3.893 4.123 1.00 10.00 H new ATOM 0 HA LYS C 14 7.695 -6.241 2.997 1.00 10.00 H new ATOM 0 HB2 LYS C 14 8.900 -3.937 4.576 1.00 10.00 H new ATOM 0 HB3 LYS C 14 9.887 -5.224 3.913 1.00 10.00 H new ATOM 0 HG2 LYS C 14 9.045 -4.730 1.623 1.00 10.00 H new ATOM 0 HG3 LYS C 14 7.974 -3.497 2.260 1.00 10.00 H new ATOM 0 HD2 LYS C 14 9.893 -2.159 3.049 1.00 10.00 H new ATOM 0 HD3 LYS C 14 11.014 -3.431 2.605 1.00 10.00 H new ATOM 0 HE2 LYS C 14 10.400 -3.190 0.214 1.00 10.00 H new ATOM 0 HE3 LYS C 14 9.180 -1.999 0.619 1.00 10.00 H new ATOM 0 HZ1 LYS C 14 11.203 -0.957 -0.140 1.00 10.00 H new ATOM 0 HZ2 LYS C 14 10.915 -0.557 1.485 1.00 10.00 H new ATOM 0 HZ3 LYS C 14 12.097 -1.711 1.092 1.00 10.00 H new ATOM 1039 N THR C 15 7.953 -6.206 6.307 1.00 10.00 N ATOM 1040 CA THR C 15 8.113 -7.084 7.471 1.00 10.00 C ATOM 1041 C THR C 15 7.032 -8.175 7.538 1.00 10.00 C ATOM 1042 O THR C 15 7.340 -9.323 7.848 1.00 10.00 O ATOM 1043 CB THR C 15 8.191 -6.280 8.777 1.00 10.00 C ATOM 1044 OG1 THR C 15 7.067 -5.445 8.922 1.00 10.00 O ATOM 1045 CG2 THR C 15 9.450 -5.413 8.834 1.00 10.00 C ATOM 0 H THR C 15 7.816 -5.224 6.544 1.00 10.00 H new ATOM 0 HA THR C 15 9.065 -7.600 7.345 1.00 10.00 H new ATOM 0 HB THR C 15 8.221 -7.007 9.588 1.00 10.00 H new ATOM 0 HG1 THR C 15 7.153 -4.674 8.323 1.00 10.00 H new ATOM 0 HG21 THR C 15 9.469 -4.860 9.773 1.00 10.00 H new ATOM 0 HG22 THR C 15 10.333 -6.049 8.770 1.00 10.00 H new ATOM 0 HG23 THR C 15 9.447 -4.712 8.000 1.00 10.00 H new ATOM 1053 N LEU C 16 5.779 -7.849 7.206 1.00 10.00 N ATOM 1054 CA LEU C 16 4.687 -8.813 7.067 1.00 10.00 C ATOM 1055 C LEU C 16 5.025 -9.882 6.021 1.00 10.00 C ATOM 1056 O LEU C 16 5.033 -11.071 6.330 1.00 10.00 O ATOM 1057 CB LEU C 16 3.381 -8.064 6.743 1.00 10.00 C ATOM 1058 CG LEU C 16 2.099 -8.899 6.913 1.00 10.00 C ATOM 1059 CD1 LEU C 16 0.912 -7.945 7.106 1.00 10.00 C ATOM 1060 CD2 LEU C 16 1.806 -9.792 5.701 1.00 10.00 C ATOM 0 H LEU C 16 5.491 -6.888 7.023 1.00 10.00 H new ATOM 0 HA LEU C 16 4.547 -9.342 8.009 1.00 10.00 H new ATOM 0 HB2 LEU C 16 3.314 -7.186 7.385 1.00 10.00 H new ATOM 0 HB3 LEU C 16 3.430 -7.705 5.715 1.00 10.00 H new ATOM 0 HG LEU C 16 2.246 -9.547 7.777 1.00 10.00 H new ATOM 0 HD11 LEU C 16 -0.004 -8.524 7.228 1.00 10.00 H new ATOM 0 HD12 LEU C 16 1.076 -7.335 7.994 1.00 10.00 H new ATOM 0 HD13 LEU C 16 0.819 -7.298 6.233 1.00 10.00 H new ATOM 0 HD21 LEU C 16 0.891 -10.357 5.878 1.00 10.00 H new ATOM 0 HD22 LEU C 16 1.684 -9.172 4.813 1.00 10.00 H new ATOM 0 HD23 LEU C 16 2.635 -10.483 5.549 1.00 10.00 H new ATOM 1072 N ARG C 17 5.324 -9.457 4.791 1.00 10.00 N ATOM 1073 CA ARG C 17 5.717 -10.323 3.679 1.00 10.00 C ATOM 1074 C ARG C 17 6.880 -11.250 4.065 1.00 10.00 C ATOM 1075 O ARG C 17 6.814 -12.459 3.845 1.00 10.00 O ATOM 1076 CB ARG C 17 6.028 -9.420 2.475 1.00 10.00 C ATOM 1077 CG ARG C 17 6.324 -10.151 1.155 1.00 10.00 C ATOM 1078 CD ARG C 17 7.821 -10.356 0.884 1.00 10.00 C ATOM 1079 NE ARG C 17 8.330 -11.600 1.478 1.00 10.00 N ATOM 1080 CZ ARG C 17 9.615 -11.955 1.560 1.00 10.00 C ATOM 1081 NH1 ARG C 17 10.589 -11.111 1.227 1.00 10.00 N ATOM 1082 NH2 ARG C 17 9.928 -13.177 1.973 1.00 10.00 N ATOM 0 H ARG C 17 5.298 -8.470 4.535 1.00 10.00 H new ATOM 0 HA ARG C 17 4.906 -11.000 3.411 1.00 10.00 H new ATOM 0 HB2 ARG C 17 5.182 -8.751 2.317 1.00 10.00 H new ATOM 0 HB3 ARG C 17 6.886 -8.796 2.724 1.00 10.00 H new ATOM 0 HG2 ARG C 17 5.830 -11.123 1.170 1.00 10.00 H new ATOM 0 HG3 ARG C 17 5.889 -9.585 0.331 1.00 10.00 H new ATOM 0 HD2 ARG C 17 7.994 -10.372 -0.192 1.00 10.00 H new ATOM 0 HD3 ARG C 17 8.380 -9.510 1.284 1.00 10.00 H new ATOM 0 HE ARG C 17 7.642 -12.249 1.861 1.00 10.00 H new ATOM 0 HH11 ARG C 17 10.361 -10.172 0.901 1.00 10.00 H new ATOM 0 HH12 ARG C 17 11.564 -11.404 1.297 1.00 10.00 H new ATOM 0 HH21 ARG C 17 9.190 -13.835 2.224 1.00 10.00 H new ATOM 0 HH22 ARG C 17 10.906 -13.458 2.039 1.00 10.00 H new ATOM 1096 N LYS C 18 7.923 -10.692 4.689 1.00 10.00 N ATOM 1097 CA LYS C 18 9.030 -11.465 5.244 1.00 10.00 C ATOM 1098 C LYS C 18 8.549 -12.495 6.279 1.00 10.00 C ATOM 1099 O LYS C 18 8.776 -13.690 6.108 1.00 10.00 O ATOM 1100 CB LYS C 18 10.078 -10.519 5.839 1.00 10.00 C ATOM 1101 CG LYS C 18 10.860 -9.766 4.758 1.00 10.00 C ATOM 1102 CD LYS C 18 11.774 -8.696 5.372 1.00 10.00 C ATOM 1103 CE LYS C 18 12.772 -9.296 6.372 1.00 10.00 C ATOM 1104 NZ LYS C 18 13.752 -8.292 6.819 1.00 10.00 N ATOM 0 H LYS C 18 8.020 -9.685 4.822 1.00 10.00 H new ATOM 0 HA LYS C 18 9.490 -12.032 4.434 1.00 10.00 H new ATOM 0 HB2 LYS C 18 9.586 -9.801 6.495 1.00 10.00 H new ATOM 0 HB3 LYS C 18 10.772 -11.090 6.455 1.00 10.00 H new ATOM 0 HG2 LYS C 18 11.459 -10.471 4.182 1.00 10.00 H new ATOM 0 HG3 LYS C 18 10.164 -9.297 4.063 1.00 10.00 H new ATOM 0 HD2 LYS C 18 12.319 -8.186 4.578 1.00 10.00 H new ATOM 0 HD3 LYS C 18 11.165 -7.944 5.874 1.00 10.00 H new ATOM 0 HE2 LYS C 18 12.234 -9.690 7.234 1.00 10.00 H new ATOM 0 HE3 LYS C 18 13.293 -10.135 5.910 1.00 10.00 H new ATOM 0 HZ1 LYS C 18 14.412 -8.728 7.494 1.00 10.00 H new ATOM 0 HZ2 LYS C 18 14.281 -7.934 5.998 1.00 10.00 H new ATOM 0 HZ3 LYS C 18 13.255 -7.504 7.281 1.00 10.00 H new ATOM 1118 N CYS C 19 7.865 -12.057 7.342 1.00 10.00 N ATOM 1119 CA CYS C 19 7.394 -12.937 8.416 1.00 10.00 C ATOM 1120 C CYS C 19 6.504 -14.078 7.893 1.00 10.00 C ATOM 1121 O CYS C 19 6.648 -15.231 8.291 1.00 10.00 O ATOM 1122 CB CYS C 19 6.655 -12.097 9.460 1.00 10.00 C ATOM 1123 SG CYS C 19 6.203 -12.991 10.965 1.00 10.00 S ATOM 0 H CYS C 19 7.622 -11.076 7.482 1.00 10.00 H new ATOM 0 HA CYS C 19 8.261 -13.414 8.873 1.00 10.00 H new ATOM 0 HB2 CYS C 19 7.281 -11.247 9.732 1.00 10.00 H new ATOM 0 HB3 CYS C 19 5.749 -11.694 9.007 1.00 10.00 H new ATOM 0 HG CYS C 19 5.586 -12.187 11.779 1.00 10.00 H new ATOM 1278 N ILE D 7 -3.345 9.104 16.604 1.00 10.00 N ATOM 1279 CA ILE D 7 -2.355 8.592 17.557 1.00 10.00 C ATOM 1280 C ILE D 7 -2.576 7.109 17.904 1.00 10.00 C ATOM 1281 O ILE D 7 -1.616 6.342 17.940 1.00 10.00 O ATOM 1282 CB ILE D 7 -2.199 9.498 18.794 1.00 10.00 C ATOM 1283 CG1 ILE D 7 -3.455 9.505 19.677 1.00 10.00 C ATOM 1284 CG2 ILE D 7 -1.804 10.915 18.352 1.00 10.00 C ATOM 1285 CD1 ILE D 7 -3.328 10.413 20.903 1.00 10.00 C ATOM 0 HA ILE D 7 -1.391 8.628 17.049 1.00 10.00 H new ATOM 0 HB ILE D 7 -1.402 9.089 19.415 1.00 10.00 H new ATOM 0 HG12 ILE D 7 -4.308 9.829 19.081 1.00 10.00 H new ATOM 0 HG13 ILE D 7 -3.664 8.488 20.007 1.00 10.00 H new ATOM 0 HG21 ILE D 7 -1.695 11.553 19.229 1.00 10.00 H new ATOM 0 HG22 ILE D 7 -0.859 10.877 17.811 1.00 10.00 H new ATOM 0 HG23 ILE D 7 -2.578 11.322 17.702 1.00 10.00 H new ATOM 0 HD11 ILE D 7 -4.250 10.372 21.483 1.00 10.00 H new ATOM 0 HD12 ILE D 7 -2.495 10.077 21.520 1.00 10.00 H new ATOM 0 HD13 ILE D 7 -3.149 11.438 20.579 1.00 10.00 H new ATOM 1297 N GLU D 8 -3.825 6.676 18.113 1.00 10.00 N ATOM 1298 CA GLU D 8 -4.134 5.267 18.365 1.00 10.00 C ATOM 1299 C GLU D 8 -3.741 4.379 17.172 1.00 10.00 C ATOM 1300 O GLU D 8 -3.042 3.377 17.328 1.00 10.00 O ATOM 1301 CB GLU D 8 -5.623 5.127 18.704 1.00 10.00 C ATOM 1302 CG GLU D 8 -5.940 5.726 20.083 1.00 10.00 C ATOM 1303 CD GLU D 8 -7.435 5.686 20.385 1.00 10.00 C ATOM 1304 OE1 GLU D 8 -7.910 4.589 20.747 1.00 10.00 O ATOM 1305 OE2 GLU D 8 -8.075 6.752 20.246 1.00 10.00 O ATOM 0 H GLU D 8 -4.642 7.287 18.112 1.00 10.00 H new ATOM 0 HA GLU D 8 -3.544 4.924 19.215 1.00 10.00 H new ATOM 0 HB2 GLU D 8 -6.220 5.627 17.942 1.00 10.00 H new ATOM 0 HB3 GLU D 8 -5.904 4.074 18.689 1.00 10.00 H new ATOM 0 HG2 GLU D 8 -5.398 5.175 20.852 1.00 10.00 H new ATOM 0 HG3 GLU D 8 -5.588 6.757 20.122 1.00 10.00 H new ATOM 1312 N ALA D 9 -4.176 4.753 15.965 1.00 10.00 N ATOM 1313 CA ALA D 9 -3.841 4.042 14.738 1.00 10.00 C ATOM 1314 C ALA D 9 -2.323 4.011 14.494 1.00 10.00 C ATOM 1315 O ALA D 9 -1.786 2.987 14.078 1.00 10.00 O ATOM 1316 CB ALA D 9 -4.603 4.668 13.569 1.00 10.00 C ATOM 0 H ALA D 9 -4.775 5.565 15.816 1.00 10.00 H new ATOM 0 HA ALA D 9 -4.148 3.001 14.834 1.00 10.00 H new ATOM 0 HB1 ALA D 9 -4.356 4.139 12.649 1.00 10.00 H new ATOM 0 HB2 ALA D 9 -5.675 4.595 13.753 1.00 10.00 H new ATOM 0 HB3 ALA D 9 -4.322 5.717 13.472 1.00 10.00 H new ATOM 1322 N ARG D 10 -1.621 5.110 14.785 1.00 10.00 N ATOM 1323 CA ARG D 10 -0.163 5.194 14.723 1.00 10.00 C ATOM 1324 C ARG D 10 0.518 4.278 15.747 1.00 10.00 C ATOM 1325 O ARG D 10 1.449 3.553 15.399 1.00 10.00 O ATOM 1326 CB ARG D 10 0.268 6.657 14.856 1.00 10.00 C ATOM 1327 CG ARG D 10 1.788 6.821 14.721 1.00 10.00 C ATOM 1328 CD ARG D 10 2.125 8.088 13.925 1.00 10.00 C ATOM 1329 NE ARG D 10 1.817 7.912 12.493 1.00 10.00 N ATOM 1330 CZ ARG D 10 2.567 7.235 11.615 1.00 10.00 C ATOM 1331 NH1 ARG D 10 3.686 6.634 12.006 1.00 10.00 N ATOM 1332 NH2 ARG D 10 2.203 7.142 10.339 1.00 10.00 N ATOM 0 H ARG D 10 -2.061 5.983 15.076 1.00 10.00 H new ATOM 0 HA ARG D 10 0.168 4.827 13.751 1.00 10.00 H new ATOM 0 HB2 ARG D 10 -0.231 7.253 14.092 1.00 10.00 H new ATOM 0 HB3 ARG D 10 -0.054 7.044 15.823 1.00 10.00 H new ATOM 0 HG2 ARG D 10 2.243 6.875 15.710 1.00 10.00 H new ATOM 0 HG3 ARG D 10 2.211 5.949 14.223 1.00 10.00 H new ATOM 0 HD2 ARG D 10 1.559 8.931 14.321 1.00 10.00 H new ATOM 0 HD3 ARG D 10 3.181 8.327 14.046 1.00 10.00 H new ATOM 0 HE ARG D 10 0.961 8.342 12.143 1.00 10.00 H new ATOM 0 HH11 ARG D 10 3.979 6.687 12.982 1.00 10.00 H new ATOM 0 HH12 ARG D 10 4.252 6.120 11.331 1.00 10.00 H new ATOM 0 HH21 ARG D 10 1.344 7.589 10.020 1.00 10.00 H new ATOM 0 HH22 ARG D 10 2.783 6.623 9.680 1.00 10.00 H new ATOM 1346 N LYS D 11 0.048 4.273 16.999 1.00 10.00 N ATOM 1347 CA LYS D 11 0.501 3.316 18.003 1.00 10.00 C ATOM 1348 C LYS D 11 0.336 1.877 17.493 1.00 10.00 C ATOM 1349 O LYS D 11 1.301 1.118 17.470 1.00 10.00 O ATOM 1350 CB LYS D 11 -0.247 3.551 19.322 1.00 10.00 C ATOM 1351 CG LYS D 11 0.280 2.636 20.438 1.00 10.00 C ATOM 1352 CD LYS D 11 -0.415 2.907 21.779 1.00 10.00 C ATOM 1353 CE LYS D 11 -1.883 2.463 21.762 1.00 10.00 C ATOM 1354 NZ LYS D 11 -2.492 2.597 23.096 1.00 10.00 N ATOM 0 H LYS D 11 -0.654 4.930 17.340 1.00 10.00 H new ATOM 0 HA LYS D 11 1.564 3.466 18.192 1.00 10.00 H new ATOM 0 HB2 LYS D 11 -0.138 4.593 19.623 1.00 10.00 H new ATOM 0 HB3 LYS D 11 -1.312 3.371 19.175 1.00 10.00 H new ATOM 0 HG2 LYS D 11 0.128 1.594 20.155 1.00 10.00 H new ATOM 0 HG3 LYS D 11 1.354 2.783 20.550 1.00 10.00 H new ATOM 0 HD2 LYS D 11 0.114 2.382 22.575 1.00 10.00 H new ATOM 0 HD3 LYS D 11 -0.360 3.971 22.008 1.00 10.00 H new ATOM 0 HE2 LYS D 11 -2.440 3.064 21.043 1.00 10.00 H new ATOM 0 HE3 LYS D 11 -1.949 1.427 21.431 1.00 10.00 H new ATOM 0 HZ1 LYS D 11 -3.485 2.290 23.057 1.00 10.00 H new ATOM 0 HZ2 LYS D 11 -1.973 2.005 23.776 1.00 10.00 H new ATOM 0 HZ3 LYS D 11 -2.449 3.591 23.399 1.00 10.00 H new ATOM 1368 N TYR D 12 -0.871 1.510 17.048 1.00 10.00 N ATOM 1369 CA TYR D 12 -1.149 0.196 16.472 1.00 10.00 C ATOM 1370 C TYR D 12 -0.213 -0.140 15.295 1.00 10.00 C ATOM 1371 O TYR D 12 0.441 -1.179 15.301 1.00 10.00 O ATOM 1372 CB TYR D 12 -2.624 0.123 16.062 1.00 10.00 C ATOM 1373 CG TYR D 12 -3.003 -1.177 15.378 1.00 10.00 C ATOM 1374 CD1 TYR D 12 -3.203 -2.342 16.140 1.00 10.00 C ATOM 1375 CD2 TYR D 12 -3.062 -1.241 13.973 1.00 10.00 C ATOM 1376 CE1 TYR D 12 -3.494 -3.559 15.498 1.00 10.00 C ATOM 1377 CE2 TYR D 12 -3.338 -2.462 13.332 1.00 10.00 C ATOM 1378 CZ TYR D 12 -3.562 -3.617 14.099 1.00 10.00 C ATOM 1379 OH TYR D 12 -3.843 -4.797 13.485 1.00 10.00 O ATOM 0 H TYR D 12 -1.686 2.123 17.079 1.00 10.00 H new ATOM 0 HA TYR D 12 -0.952 -0.560 17.232 1.00 10.00 H new ATOM 0 HB2 TYR D 12 -3.245 0.251 16.948 1.00 10.00 H new ATOM 0 HB3 TYR D 12 -2.848 0.954 15.393 1.00 10.00 H new ATOM 0 HD1 TYR D 12 -3.133 -2.302 17.217 1.00 10.00 H new ATOM 0 HD2 TYR D 12 -2.895 -0.350 13.386 1.00 10.00 H new ATOM 0 HE1 TYR D 12 -3.665 -4.450 16.084 1.00 10.00 H new ATOM 0 HE2 TYR D 12 -3.378 -2.511 12.254 1.00 10.00 H new ATOM 0 HH TYR D 12 -4.663 -4.704 12.957 1.00 10.00 H new ATOM 1389 N LEU D 13 -0.138 0.746 14.295 1.00 10.00 N ATOM 1390 CA LEU D 13 0.775 0.651 13.156 1.00 10.00 C ATOM 1391 C LEU D 13 2.208 0.355 13.618 1.00 10.00 C ATOM 1392 O LEU D 13 2.793 -0.651 13.223 1.00 10.00 O ATOM 1393 CB LEU D 13 0.693 1.958 12.344 1.00 10.00 C ATOM 1394 CG LEU D 13 1.786 2.162 11.279 1.00 10.00 C ATOM 1395 CD1 LEU D 13 1.779 1.059 10.221 1.00 10.00 C ATOM 1396 CD2 LEU D 13 1.576 3.517 10.595 1.00 10.00 C ATOM 0 H LEU D 13 -0.731 1.575 14.258 1.00 10.00 H new ATOM 0 HA LEU D 13 0.479 -0.181 12.517 1.00 10.00 H new ATOM 0 HB2 LEU D 13 -0.278 1.995 11.851 1.00 10.00 H new ATOM 0 HB3 LEU D 13 0.730 2.797 13.039 1.00 10.00 H new ATOM 0 HG LEU D 13 2.751 2.128 11.785 1.00 10.00 H new ATOM 0 HD11 LEU D 13 2.568 1.248 9.493 1.00 10.00 H new ATOM 0 HD12 LEU D 13 1.950 0.095 10.699 1.00 10.00 H new ATOM 0 HD13 LEU D 13 0.814 1.046 9.715 1.00 10.00 H new ATOM 0 HD21 LEU D 13 2.347 3.667 9.840 1.00 10.00 H new ATOM 0 HD22 LEU D 13 0.595 3.537 10.121 1.00 10.00 H new ATOM 0 HD23 LEU D 13 1.636 4.313 11.338 1.00 10.00 H new ATOM 1408 N GLU D 14 2.773 1.227 14.458 1.00 10.00 N ATOM 1409 CA GLU D 14 4.147 1.097 14.923 1.00 10.00 C ATOM 1410 C GLU D 14 4.361 -0.184 15.745 1.00 10.00 C ATOM 1411 O GLU D 14 5.347 -0.888 15.550 1.00 10.00 O ATOM 1412 CB GLU D 14 4.541 2.364 15.695 1.00 10.00 C ATOM 1413 CG GLU D 14 6.047 2.399 16.013 1.00 10.00 C ATOM 1414 CD GLU D 14 6.915 2.421 14.754 1.00 10.00 C ATOM 1415 OE1 GLU D 14 7.041 3.519 14.174 1.00 10.00 O ATOM 1416 OE2 GLU D 14 7.423 1.338 14.387 1.00 10.00 O ATOM 0 H GLU D 14 2.286 2.042 14.832 1.00 10.00 H new ATOM 0 HA GLU D 14 4.805 0.999 14.060 1.00 10.00 H new ATOM 0 HB2 GLU D 14 4.273 3.244 15.109 1.00 10.00 H new ATOM 0 HB3 GLU D 14 3.973 2.414 16.624 1.00 10.00 H new ATOM 0 HG2 GLU D 14 6.267 3.280 16.616 1.00 10.00 H new ATOM 0 HG3 GLU D 14 6.308 1.528 16.614 1.00 10.00 H new ATOM 1423 N GLN D 15 3.436 -0.506 16.652 1.00 10.00 N ATOM 1424 CA GLN D 15 3.461 -1.736 17.439 1.00 10.00 C ATOM 1425 C GLN D 15 3.470 -2.981 16.538 1.00 10.00 C ATOM 1426 O GLN D 15 4.329 -3.850 16.677 1.00 10.00 O ATOM 1427 CB GLN D 15 2.262 -1.723 18.398 1.00 10.00 C ATOM 1428 CG GLN D 15 2.226 -2.950 19.320 1.00 10.00 C ATOM 1429 CD GLN D 15 1.067 -2.900 20.312 1.00 10.00 C ATOM 1430 OE1 GLN D 15 0.310 -1.940 20.376 1.00 10.00 O ATOM 1431 NE2 GLN D 15 0.907 -3.948 21.108 1.00 10.00 N ATOM 0 H GLN D 15 2.637 0.092 16.862 1.00 10.00 H new ATOM 0 HA GLN D 15 4.382 -1.783 18.021 1.00 10.00 H new ATOM 0 HB2 GLN D 15 2.298 -0.819 19.005 1.00 10.00 H new ATOM 0 HB3 GLN D 15 1.339 -1.682 17.819 1.00 10.00 H new ATOM 0 HG2 GLN D 15 2.144 -3.853 18.715 1.00 10.00 H new ATOM 0 HG3 GLN D 15 3.166 -3.017 19.867 1.00 10.00 H new ATOM 0 HE21 GLN D 15 1.546 -4.740 21.043 1.00 10.00 H new ATOM 0 HE22 GLN D 15 0.145 -3.962 21.786 1.00 10.00 H new ATOM 1440 N LEU D 16 2.519 -3.066 15.604 1.00 10.00 N ATOM 1441 CA LEU D 16 2.420 -4.171 14.655 1.00 10.00 C ATOM 1442 C LEU D 16 3.679 -4.268 13.780 1.00 10.00 C ATOM 1443 O LEU D 16 4.300 -5.327 13.702 1.00 10.00 O ATOM 1444 CB LEU D 16 1.127 -4.010 13.842 1.00 10.00 C ATOM 1445 CG LEU D 16 0.886 -5.118 12.804 1.00 10.00 C ATOM 1446 CD1 LEU D 16 0.956 -6.525 13.409 1.00 10.00 C ATOM 1447 CD2 LEU D 16 -0.507 -4.927 12.194 1.00 10.00 C ATOM 0 H LEU D 16 1.791 -2.362 15.487 1.00 10.00 H new ATOM 0 HA LEU D 16 2.366 -5.120 15.188 1.00 10.00 H new ATOM 0 HB2 LEU D 16 0.281 -3.983 14.529 1.00 10.00 H new ATOM 0 HB3 LEU D 16 1.152 -3.048 13.329 1.00 10.00 H new ATOM 0 HG LEU D 16 1.674 -5.037 12.055 1.00 10.00 H new ATOM 0 HD11 LEU D 16 0.778 -7.266 12.629 1.00 10.00 H new ATOM 0 HD12 LEU D 16 1.943 -6.686 13.844 1.00 10.00 H new ATOM 0 HD13 LEU D 16 0.197 -6.626 14.185 1.00 10.00 H new ATOM 0 HD21 LEU D 16 -0.691 -5.707 11.455 1.00 10.00 H new ATOM 0 HD22 LEU D 16 -1.260 -4.987 12.980 1.00 10.00 H new ATOM 0 HD23 LEU D 16 -0.562 -3.951 11.712 1.00 10.00 H new ATOM 1459 N HIS D 17 4.097 -3.154 13.168 1.00 10.00 N ATOM 1460 CA HIS D 17 5.371 -3.050 12.461 1.00 10.00 C ATOM 1461 C HIS D 17 6.541 -3.580 13.306 1.00 10.00 C ATOM 1462 O HIS D 17 7.304 -4.420 12.841 1.00 10.00 O ATOM 1463 CB HIS D 17 5.606 -1.591 12.046 1.00 10.00 C ATOM 1464 CG HIS D 17 7.022 -1.304 11.615 1.00 10.00 C ATOM 1465 ND1 HIS D 17 7.883 -0.435 12.247 1.00 10.00 N ATOM 1466 CD2 HIS D 17 7.737 -1.976 10.659 1.00 10.00 C ATOM 1467 CE1 HIS D 17 9.087 -0.567 11.668 1.00 10.00 C ATOM 1468 NE2 HIS D 17 9.051 -1.498 10.700 1.00 10.00 N ATOM 0 H HIS D 17 3.552 -2.292 13.152 1.00 10.00 H new ATOM 0 HA HIS D 17 5.322 -3.675 11.569 1.00 10.00 H new ATOM 0 HB2 HIS D 17 4.929 -1.341 11.229 1.00 10.00 H new ATOM 0 HB3 HIS D 17 5.351 -0.939 12.882 1.00 10.00 H new ATOM 0 HD1 HIS D 17 7.649 0.194 13.015 1.00 10.00 H new ATOM 0 HD2 HIS D 17 7.355 -2.737 9.994 1.00 10.00 H new ATOM 0 HE1 HIS D 17 9.965 -0.002 11.943 1.00 10.00 H new ATOM 1476 N ARG D 18 6.691 -3.104 14.544 1.00 10.00 N ATOM 1477 CA ARG D 18 7.737 -3.554 15.456 1.00 10.00 C ATOM 1478 C ARG D 18 7.667 -5.067 15.703 1.00 10.00 C ATOM 1479 O ARG D 18 8.676 -5.761 15.575 1.00 10.00 O ATOM 1480 CB ARG D 18 7.661 -2.748 16.761 1.00 10.00 C ATOM 1481 CG ARG D 18 8.780 -3.144 17.732 1.00 10.00 C ATOM 1482 CD ARG D 18 8.747 -2.250 18.973 1.00 10.00 C ATOM 1483 NE ARG D 18 9.785 -2.661 19.929 1.00 10.00 N ATOM 1484 CZ ARG D 18 10.043 -2.066 21.098 1.00 10.00 C ATOM 1485 NH1 ARG D 18 9.347 -1.001 21.490 1.00 10.00 N ATOM 1486 NH2 ARG D 18 11.006 -2.542 21.880 1.00 10.00 N ATOM 0 H ARG D 18 6.083 -2.389 14.942 1.00 10.00 H new ATOM 0 HA ARG D 18 8.708 -3.372 14.995 1.00 10.00 H new ATOM 0 HB2 ARG D 18 7.732 -1.684 16.537 1.00 10.00 H new ATOM 0 HB3 ARG D 18 6.693 -2.910 17.234 1.00 10.00 H new ATOM 0 HG2 ARG D 18 8.665 -4.188 18.024 1.00 10.00 H new ATOM 0 HG3 ARG D 18 9.748 -3.056 17.238 1.00 10.00 H new ATOM 0 HD2 ARG D 18 8.901 -1.210 18.684 1.00 10.00 H new ATOM 0 HD3 ARG D 18 7.766 -2.308 19.445 1.00 10.00 H new ATOM 0 HE ARG D 18 10.357 -3.468 19.680 1.00 10.00 H new ATOM 0 HH11 ARG D 18 8.606 -0.629 20.896 1.00 10.00 H new ATOM 0 HH12 ARG D 18 9.555 -0.557 22.385 1.00 10.00 H new ATOM 0 HH21 ARG D 18 11.544 -3.358 21.587 1.00 10.00 H new ATOM 0 HH22 ARG D 18 11.207 -2.092 22.773 1.00 10.00 H new ATOM 1500 N LYS D 19 6.489 -5.592 16.050 1.00 10.00 N ATOM 1501 CA LYS D 19 6.287 -7.029 16.234 1.00 10.00 C ATOM 1502 C LYS D 19 6.726 -7.819 14.990 1.00 10.00 C ATOM 1503 O LYS D 19 7.525 -8.749 15.089 1.00 10.00 O ATOM 1504 CB LYS D 19 4.821 -7.293 16.606 1.00 10.00 C ATOM 1505 CG LYS D 19 4.466 -8.783 16.723 1.00 10.00 C ATOM 1506 CD LYS D 19 5.346 -9.520 17.741 1.00 10.00 C ATOM 1507 CE LYS D 19 4.858 -10.961 17.908 1.00 10.00 C ATOM 1508 NZ LYS D 19 5.714 -11.702 18.852 1.00 10.00 N ATOM 0 H LYS D 19 5.651 -5.033 16.211 1.00 10.00 H new ATOM 0 HA LYS D 19 6.915 -7.380 17.053 1.00 10.00 H new ATOM 0 HB2 LYS D 19 4.603 -6.802 17.555 1.00 10.00 H new ATOM 0 HB3 LYS D 19 4.178 -6.834 15.855 1.00 10.00 H new ATOM 0 HG2 LYS D 19 3.420 -8.882 17.013 1.00 10.00 H new ATOM 0 HG3 LYS D 19 4.572 -9.256 15.747 1.00 10.00 H new ATOM 0 HD2 LYS D 19 6.384 -9.515 17.408 1.00 10.00 H new ATOM 0 HD3 LYS D 19 5.317 -9.004 18.701 1.00 10.00 H new ATOM 0 HE2 LYS D 19 3.829 -10.961 18.268 1.00 10.00 H new ATOM 0 HE3 LYS D 19 4.858 -11.463 16.941 1.00 10.00 H new ATOM 0 HZ1 LYS D 19 5.363 -12.676 18.948 1.00 10.00 H new ATOM 0 HZ2 LYS D 19 6.690 -11.720 18.495 1.00 10.00 H new ATOM 0 HZ3 LYS D 19 5.694 -11.233 19.780 1.00 10.00 H new ATOM 1522 N LEU D 20 6.233 -7.432 13.812 1.00 10.00 N ATOM 1523 CA LEU D 20 6.617 -8.058 12.550 1.00 10.00 C ATOM 1524 C LEU D 20 8.127 -7.942 12.288 1.00 10.00 C ATOM 1525 O LEU D 20 8.774 -8.926 11.953 1.00 10.00 O ATOM 1526 CB LEU D 20 5.790 -7.467 11.406 1.00 10.00 C ATOM 1527 CG LEU D 20 4.290 -7.782 11.533 1.00 10.00 C ATOM 1528 CD1 LEU D 20 3.532 -6.886 10.554 1.00 10.00 C ATOM 1529 CD2 LEU D 20 3.985 -9.258 11.243 1.00 10.00 C ATOM 0 H LEU D 20 5.557 -6.676 13.708 1.00 10.00 H new ATOM 0 HA LEU D 20 6.402 -9.125 12.614 1.00 10.00 H new ATOM 0 HB2 LEU D 20 5.929 -6.386 11.383 1.00 10.00 H new ATOM 0 HB3 LEU D 20 6.160 -7.856 10.457 1.00 10.00 H new ATOM 0 HG LEU D 20 3.974 -7.590 12.559 1.00 10.00 H new ATOM 0 HD11 LEU D 20 2.464 -7.091 10.625 1.00 10.00 H new ATOM 0 HD12 LEU D 20 3.718 -5.840 10.799 1.00 10.00 H new ATOM 0 HD13 LEU D 20 3.873 -7.087 9.538 1.00 10.00 H new ATOM 0 HD21 LEU D 20 2.914 -9.435 11.344 1.00 10.00 H new ATOM 0 HD22 LEU D 20 4.299 -9.502 10.228 1.00 10.00 H new ATOM 0 HD23 LEU D 20 4.525 -9.887 11.950 1.00 10.00 H new ATOM 1541 N LYS D 21 8.731 -6.771 12.489 1.00 10.00 N ATOM 1542 CA LYS D 21 10.182 -6.613 12.415 1.00 10.00 C ATOM 1543 C LYS D 21 10.900 -7.616 13.336 1.00 10.00 C ATOM 1544 O LYS D 21 11.825 -8.307 12.911 1.00 10.00 O ATOM 1545 CB LYS D 21 10.543 -5.155 12.725 1.00 10.00 C ATOM 1546 CG LYS D 21 12.031 -4.869 12.484 1.00 10.00 C ATOM 1547 CD LYS D 21 12.311 -3.361 12.441 1.00 10.00 C ATOM 1548 CE LYS D 21 11.947 -2.668 13.759 1.00 10.00 C ATOM 1549 NZ LYS D 21 12.368 -1.257 13.745 1.00 10.00 N ATOM 0 H LYS D 21 8.230 -5.909 12.707 1.00 10.00 H new ATOM 0 HA LYS D 21 10.527 -6.839 11.406 1.00 10.00 H new ATOM 0 HB2 LYS D 21 9.941 -4.492 12.104 1.00 10.00 H new ATOM 0 HB3 LYS D 21 10.294 -4.932 13.763 1.00 10.00 H new ATOM 0 HG2 LYS D 21 12.624 -5.328 13.275 1.00 10.00 H new ATOM 0 HG3 LYS D 21 12.343 -5.326 11.545 1.00 10.00 H new ATOM 0 HD2 LYS D 21 13.366 -3.195 12.224 1.00 10.00 H new ATOM 0 HD3 LYS D 21 11.744 -2.911 11.627 1.00 10.00 H new ATOM 0 HE2 LYS D 21 10.871 -2.729 13.921 1.00 10.00 H new ATOM 0 HE3 LYS D 21 12.425 -3.186 14.591 1.00 10.00 H new ATOM 0 HZ1 LYS D 21 12.111 -0.809 14.648 1.00 10.00 H new ATOM 0 HZ2 LYS D 21 13.398 -1.203 13.613 1.00 10.00 H new ATOM 0 HZ3 LYS D 21 11.893 -0.761 12.964 1.00 10.00 H new ATOM 1563 N ASN D 22 10.429 -7.756 14.581 1.00 10.00 N ATOM 1564 CA ASN D 22 10.940 -8.744 15.533 1.00 10.00 C ATOM 1565 C ASN D 22 10.678 -10.209 15.129 1.00 10.00 C ATOM 1566 O ASN D 22 11.301 -11.105 15.694 1.00 10.00 O ATOM 1567 CB ASN D 22 10.422 -8.439 16.948 1.00 10.00 C ATOM 1568 CG ASN D 22 11.199 -7.297 17.597 1.00 10.00 C ATOM 1569 OD1 ASN D 22 12.096 -7.521 18.398 1.00 10.00 O ATOM 1570 ND2 ASN D 22 10.880 -6.055 17.269 1.00 10.00 N ATOM 0 H ASN D 22 9.676 -7.180 14.957 1.00 10.00 H new ATOM 0 HA ASN D 22 12.026 -8.647 15.523 1.00 10.00 H new ATOM 0 HB2 ASN D 22 9.364 -8.179 16.901 1.00 10.00 H new ATOM 0 HB3 ASN D 22 10.504 -9.333 17.566 1.00 10.00 H new ATOM 0 HD21 ASN D 22 11.384 -5.272 17.685 1.00 10.00 H new ATOM 0 HD22 ASN D 22 10.130 -5.881 16.600 1.00 10.00 H new