USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 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 72:sc= 1.18 USER MOD Set 1.2: D 17 HIS : no HE2:sc= 0.0735 K(o=1.3,f=-4.5!) USER MOD Set 2.1: B 15 GLN : amide:sc= 0.592 K(o=0.59,f=-0.07) USER MOD Set 2.2: B 19 LYS NZ :NH3+ 178:sc= 0 (180deg=0) USER MOD Set 3.1: A 15 THR OG1 : rot -72:sc= 1.65 USER MOD Set 3.2: B 17 HIS : no HE2:sc= 0.251 K(o=1.9,f=-4.1!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ -155:sc= 0.607 (180deg=0.293) USER MOD Single : B 12 TYR OH : rot 180:sc= 1.15 USER MOD Single : B 21 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0656) USER MOD Single : B 22 ASN : amide:sc= 0.397 X(o=0.4,f=-0.0014) USER MOD Single : C 10 THR OG1 : rot 180:sc= 0.00458 USER MOD Single : C 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0499) USER MOD Single : C 19 CYS SG : rot -23:sc= 0.061 USER MOD Single : D 11 LYS NZ :NH3+ 177:sc=-0.00301 (180deg=-0.0601) USER MOD Single : D 12 TYR OH : rot 1:sc= 1.25 USER MOD Single : D 15 GLN : amide:sc= -0.526 X(o=-0.53,f=-0.42) USER MOD Single : D 19 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0546) USER MOD Single : D 21 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0232) USER MOD Single : D 22 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 6 -4.041 6.989 6.827 1.00 10.00 N ATOM 88 CA PRO A 6 -5.433 7.259 6.500 1.00 10.00 C ATOM 89 C PRO A 6 -6.320 6.037 6.785 1.00 10.00 C ATOM 90 O PRO A 6 -5.811 4.919 6.878 1.00 10.00 O ATOM 91 CB PRO A 6 -5.405 7.591 5.006 1.00 10.00 C ATOM 92 CG PRO A 6 -4.298 6.678 4.479 1.00 10.00 C ATOM 93 CD PRO A 6 -3.284 6.670 5.625 1.00 10.00 C ATOM 0 HA PRO A 6 -5.854 8.067 7.099 1.00 10.00 H new ATOM 0 HB2 PRO A 6 -6.362 7.384 4.527 1.00 10.00 H new ATOM 0 HB3 PRO A 6 -5.181 8.643 4.829 1.00 10.00 H new ATOM 0 HG2 PRO A 6 -4.670 5.677 4.262 1.00 10.00 H new ATOM 0 HG3 PRO A 6 -3.862 7.063 3.557 1.00 10.00 H new ATOM 0 HD2 PRO A 6 -2.802 5.697 5.714 1.00 10.00 H new ATOM 0 HD3 PRO A 6 -2.495 7.402 5.454 1.00 10.00 H new ATOM 101 N PRO A 7 -7.653 6.212 6.850 1.00 10.00 N ATOM 102 CA PRO A 7 -8.624 5.120 6.918 1.00 10.00 C ATOM 103 C PRO A 7 -8.317 3.957 5.962 1.00 10.00 C ATOM 104 O PRO A 7 -8.456 2.794 6.335 1.00 10.00 O ATOM 105 CB PRO A 7 -9.979 5.766 6.619 1.00 10.00 C ATOM 106 CG PRO A 7 -9.800 7.177 7.176 1.00 10.00 C ATOM 107 CD PRO A 7 -8.343 7.495 6.842 1.00 10.00 C ATOM 0 HA PRO A 7 -8.599 4.651 7.902 1.00 10.00 H new ATOM 0 HB2 PRO A 7 -10.198 5.776 5.551 1.00 10.00 H new ATOM 0 HB3 PRO A 7 -10.798 5.237 7.107 1.00 10.00 H new ATOM 0 HG2 PRO A 7 -10.485 7.885 6.710 1.00 10.00 H new ATOM 0 HG3 PRO A 7 -9.986 7.214 8.249 1.00 10.00 H new ATOM 0 HD2 PRO A 7 -8.260 7.979 5.869 1.00 10.00 H new ATOM 0 HD3 PRO A 7 -7.912 8.177 7.575 1.00 10.00 H new ATOM 115 N GLY A 8 -7.846 4.267 4.748 1.00 10.00 N ATOM 116 CA GLY A 8 -7.342 3.289 3.784 1.00 10.00 C ATOM 117 C GLY A 8 -6.426 2.222 4.403 1.00 10.00 C ATOM 118 O GLY A 8 -6.560 1.042 4.094 1.00 10.00 O ATOM 0 H GLY A 8 -7.805 5.226 4.404 1.00 10.00 H new ATOM 0 HA2 GLY A 8 -8.188 2.795 3.306 1.00 10.00 H new ATOM 0 HA3 GLY A 8 -6.795 3.814 3.001 1.00 10.00 H new ATOM 122 N PHE A 9 -5.514 2.615 5.301 1.00 10.00 N ATOM 123 CA PHE A 9 -4.679 1.668 6.040 1.00 10.00 C ATOM 124 C PHE A 9 -5.527 0.715 6.895 1.00 10.00 C ATOM 125 O PHE A 9 -5.310 -0.494 6.886 1.00 10.00 O ATOM 126 CB PHE A 9 -3.669 2.431 6.908 1.00 10.00 C ATOM 127 CG PHE A 9 -2.857 1.553 7.843 1.00 10.00 C ATOM 128 CD1 PHE A 9 -2.010 0.561 7.320 1.00 10.00 C ATOM 129 CD2 PHE A 9 -2.979 1.700 9.238 1.00 10.00 C ATOM 130 CE1 PHE A 9 -1.262 -0.258 8.184 1.00 10.00 C ATOM 131 CE2 PHE A 9 -2.199 0.911 10.102 1.00 10.00 C ATOM 132 CZ PHE A 9 -1.349 -0.077 9.575 1.00 10.00 C ATOM 0 H PHE A 9 -5.337 3.592 5.533 1.00 10.00 H new ATOM 0 HA PHE A 9 -4.136 1.056 5.319 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -2.986 2.975 6.256 1.00 10.00 H new ATOM 0 HB3 PHE A 9 -4.205 3.173 7.500 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -1.933 0.427 6.251 1.00 10.00 H new ATOM 0 HD2 PHE A 9 -3.673 2.420 9.645 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -0.620 -1.026 7.779 1.00 10.00 H new ATOM 0 HE2 PHE A 9 -2.253 1.064 11.170 1.00 10.00 H new ATOM 0 HZ PHE A 9 -0.763 -0.696 10.238 1.00 10.00 H new ATOM 142 N THR A 10 -6.523 1.247 7.608 1.00 10.00 N ATOM 143 CA THR A 10 -7.428 0.431 8.420 1.00 10.00 C ATOM 144 C THR A 10 -8.226 -0.535 7.538 1.00 10.00 C ATOM 145 O THR A 10 -8.333 -1.719 7.847 1.00 10.00 O ATOM 146 CB THR A 10 -8.352 1.321 9.267 1.00 10.00 C ATOM 147 OG1 THR A 10 -7.575 2.182 10.073 1.00 10.00 O ATOM 148 CG2 THR A 10 -9.229 0.492 10.208 1.00 10.00 C ATOM 0 H THR A 10 -6.724 2.247 7.639 1.00 10.00 H new ATOM 0 HA THR A 10 -6.831 -0.169 9.107 1.00 10.00 H new ATOM 0 HB THR A 10 -8.983 1.879 8.575 1.00 10.00 H new ATOM 0 HG1 THR A 10 -8.166 2.749 10.610 1.00 10.00 H new ATOM 0 HG21 THR A 10 -9.868 1.157 10.790 1.00 10.00 H new ATOM 0 HG22 THR A 10 -9.849 -0.187 9.623 1.00 10.00 H new ATOM 0 HG23 THR A 10 -8.596 -0.084 10.882 1.00 10.00 H new ATOM 156 N ALA A 11 -8.764 -0.045 6.417 1.00 10.00 N ATOM 157 CA ALA A 11 -9.469 -0.873 5.440 1.00 10.00 C ATOM 158 C ALA A 11 -8.569 -1.979 4.856 1.00 10.00 C ATOM 159 O ALA A 11 -8.965 -3.146 4.777 1.00 10.00 O ATOM 160 CB ALA A 11 -10.048 0.034 4.351 1.00 10.00 C ATOM 0 H ALA A 11 -8.721 0.942 6.163 1.00 10.00 H new ATOM 0 HA ALA A 11 -10.284 -1.396 5.940 1.00 10.00 H new ATOM 0 HB1 ALA A 11 -10.577 -0.572 3.616 1.00 10.00 H new ATOM 0 HB2 ALA A 11 -10.741 0.745 4.800 1.00 10.00 H new ATOM 0 HB3 ALA A 11 -9.239 0.576 3.861 1.00 10.00 H new ATOM 166 N LEU A 12 -7.334 -1.629 4.480 1.00 10.00 N ATOM 167 CA LEU A 12 -6.312 -2.591 4.079 1.00 10.00 C ATOM 168 C LEU A 12 -6.107 -3.648 5.165 1.00 10.00 C ATOM 169 O LEU A 12 -6.326 -4.826 4.912 1.00 10.00 O ATOM 170 CB LEU A 12 -5.013 -1.860 3.712 1.00 10.00 C ATOM 171 CG LEU A 12 -3.970 -2.767 3.035 1.00 10.00 C ATOM 172 CD1 LEU A 12 -3.005 -1.878 2.251 1.00 10.00 C ATOM 173 CD2 LEU A 12 -3.139 -3.593 4.028 1.00 10.00 C ATOM 0 H LEU A 12 -7.017 -0.660 4.447 1.00 10.00 H new ATOM 0 HA LEU A 12 -6.647 -3.122 3.188 1.00 10.00 H new ATOM 0 HB2 LEU A 12 -5.248 -1.030 3.046 1.00 10.00 H new ATOM 0 HB3 LEU A 12 -4.579 -1.431 4.615 1.00 10.00 H new ATOM 0 HG LEU A 12 -4.516 -3.466 2.402 1.00 10.00 H new ATOM 0 HD11 LEU A 12 -2.255 -2.499 1.761 1.00 10.00 H new ATOM 0 HD12 LEU A 12 -3.558 -1.316 1.499 1.00 10.00 H new ATOM 0 HD13 LEU A 12 -2.513 -1.185 2.933 1.00 10.00 H new ATOM 0 HD21 LEU A 12 -2.425 -4.209 3.481 1.00 10.00 H new ATOM 0 HD22 LEU A 12 -2.601 -2.923 4.699 1.00 10.00 H new ATOM 0 HD23 LEU A 12 -3.800 -4.235 4.610 1.00 10.00 H new ATOM 185 N ILE A 13 -5.727 -3.244 6.380 1.00 10.00 N ATOM 186 CA ILE A 13 -5.546 -4.148 7.519 1.00 10.00 C ATOM 187 C ILE A 13 -6.761 -5.064 7.730 1.00 10.00 C ATOM 188 O ILE A 13 -6.605 -6.278 7.859 1.00 10.00 O ATOM 189 CB ILE A 13 -5.213 -3.320 8.775 1.00 10.00 C ATOM 190 CG1 ILE A 13 -3.790 -2.730 8.720 1.00 10.00 C ATOM 191 CG2 ILE A 13 -5.432 -4.106 10.074 1.00 10.00 C ATOM 192 CD1 ILE A 13 -2.652 -3.757 8.800 1.00 10.00 C ATOM 0 H ILE A 13 -5.534 -2.268 6.603 1.00 10.00 H new ATOM 0 HA ILE A 13 -4.710 -4.816 7.309 1.00 10.00 H new ATOM 0 HB ILE A 13 -5.917 -2.488 8.780 1.00 10.00 H new ATOM 0 HG12 ILE A 13 -3.684 -2.166 7.794 1.00 10.00 H new ATOM 0 HG13 ILE A 13 -3.676 -2.021 9.540 1.00 10.00 H new ATOM 0 HG21 ILE A 13 -5.182 -3.475 10.927 1.00 10.00 H new ATOM 0 HG22 ILE A 13 -6.476 -4.412 10.142 1.00 10.00 H new ATOM 0 HG23 ILE A 13 -4.794 -4.989 10.077 1.00 10.00 H new ATOM 0 HD11 ILE A 13 -1.693 -3.242 8.753 1.00 10.00 H new ATOM 0 HD12 ILE A 13 -2.723 -4.307 9.739 1.00 10.00 H new ATOM 0 HD13 ILE A 13 -2.731 -4.453 7.965 1.00 10.00 H new ATOM 204 N LYS A 14 -7.971 -4.500 7.758 1.00 10.00 N ATOM 205 CA LYS A 14 -9.210 -5.260 7.890 1.00 10.00 C ATOM 206 C LYS A 14 -9.328 -6.329 6.794 1.00 10.00 C ATOM 207 O LYS A 14 -9.501 -7.510 7.092 1.00 10.00 O ATOM 208 CB LYS A 14 -10.395 -4.284 7.880 1.00 10.00 C ATOM 209 CG LYS A 14 -11.728 -4.987 8.174 1.00 10.00 C ATOM 210 CD LYS A 14 -12.922 -4.034 8.032 1.00 10.00 C ATOM 211 CE LYS A 14 -12.884 -2.894 9.055 1.00 10.00 C ATOM 212 NZ LYS A 14 -14.117 -2.089 8.996 1.00 10.00 N ATOM 0 H LYS A 14 -8.116 -3.493 7.689 1.00 10.00 H new ATOM 0 HA LYS A 14 -9.210 -5.798 8.838 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -10.227 -3.503 8.622 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -10.451 -3.794 6.908 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -11.852 -5.829 7.493 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -11.708 -5.395 9.184 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -12.932 -3.615 7.026 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -13.848 -4.596 8.152 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -12.761 -3.304 10.057 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -12.020 -2.257 8.863 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -14.066 -1.324 9.698 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -14.219 -1.680 8.045 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -14.937 -2.694 9.203 1.00 10.00 H new ATOM 226 N THR A 15 -9.217 -5.928 5.524 1.00 10.00 N ATOM 227 CA THR A 15 -9.272 -6.868 4.399 1.00 10.00 C ATOM 228 C THR A 15 -8.136 -7.904 4.423 1.00 10.00 C ATOM 229 O THR A 15 -8.370 -9.073 4.126 1.00 10.00 O ATOM 230 CB THR A 15 -9.385 -6.141 3.048 1.00 10.00 C ATOM 231 OG1 THR A 15 -8.417 -5.124 2.881 1.00 10.00 O ATOM 232 CG2 THR A 15 -10.772 -5.513 2.909 1.00 10.00 C ATOM 0 H THR A 15 -9.088 -4.955 5.248 1.00 10.00 H new ATOM 0 HA THR A 15 -10.190 -7.442 4.524 1.00 10.00 H new ATOM 0 HB THR A 15 -9.214 -6.895 2.280 1.00 10.00 H new ATOM 0 HG1 THR A 15 -8.634 -4.367 3.464 1.00 10.00 H new ATOM 0 HG21 THR A 15 -10.845 -5.000 1.950 1.00 10.00 H new ATOM 0 HG22 THR A 15 -11.532 -6.293 2.962 1.00 10.00 H new ATOM 0 HG23 THR A 15 -10.930 -4.798 3.716 1.00 10.00 H new ATOM 240 N LEU A 16 -6.926 -7.516 4.831 1.00 10.00 N ATOM 241 CA LEU A 16 -5.802 -8.426 5.052 1.00 10.00 C ATOM 242 C LEU A 16 -6.166 -9.487 6.098 1.00 10.00 C ATOM 243 O LEU A 16 -6.110 -10.683 5.826 1.00 10.00 O ATOM 244 CB LEU A 16 -4.555 -7.617 5.457 1.00 10.00 C ATOM 245 CG LEU A 16 -3.216 -8.316 5.159 1.00 10.00 C ATOM 246 CD1 LEU A 16 -2.075 -7.308 5.335 1.00 10.00 C ATOM 247 CD2 LEU A 16 -2.951 -9.520 6.069 1.00 10.00 C ATOM 0 H LEU A 16 -6.696 -6.540 5.021 1.00 10.00 H new ATOM 0 HA LEU A 16 -5.573 -8.956 4.128 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -4.574 -6.659 4.937 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -4.608 -7.401 6.524 1.00 10.00 H new ATOM 0 HG LEU A 16 -3.270 -8.686 4.135 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.123 -7.796 5.126 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -2.215 -6.475 4.646 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.074 -6.935 6.359 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -1.992 -9.969 5.809 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.928 -9.192 7.108 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -3.744 -10.256 5.938 1.00 10.00 H new ATOM 259 N ARG A 17 -6.572 -9.048 7.293 1.00 10.00 N ATOM 260 CA ARG A 17 -7.005 -9.932 8.369 1.00 10.00 C ATOM 261 C ARG A 17 -8.148 -10.854 7.917 1.00 10.00 C ATOM 262 O ARG A 17 -8.096 -12.059 8.152 1.00 10.00 O ATOM 263 CB ARG A 17 -7.363 -9.087 9.599 1.00 10.00 C ATOM 264 CG ARG A 17 -7.774 -9.967 10.785 1.00 10.00 C ATOM 265 CD ARG A 17 -7.827 -9.154 12.083 1.00 10.00 C ATOM 266 NE ARG A 17 -6.473 -8.864 12.588 1.00 10.00 N ATOM 267 CZ ARG A 17 -5.887 -7.668 12.730 1.00 10.00 C ATOM 268 NH1 ARG A 17 -6.451 -6.538 12.318 1.00 10.00 N ATOM 269 NH2 ARG A 17 -4.693 -7.588 13.306 1.00 10.00 N ATOM 0 H ARG A 17 -6.608 -8.059 7.539 1.00 10.00 H new ATOM 0 HA ARG A 17 -6.189 -10.600 8.645 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -6.508 -8.472 9.880 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -8.177 -8.407 9.350 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -8.750 -10.412 10.591 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -7.066 -10.788 10.895 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -8.360 -8.220 11.908 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -8.389 -9.705 12.837 1.00 10.00 H new ATOM 0 HE ARG A 17 -5.915 -9.672 12.863 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -7.368 -6.559 11.872 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -5.967 -5.650 12.447 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -4.229 -8.434 13.637 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -4.240 -6.681 13.418 1.00 10.00 H new ATOM 283 N LYS A 18 -9.160 -10.311 7.229 1.00 10.00 N ATOM 284 CA LYS A 18 -10.231 -11.111 6.639 1.00 10.00 C ATOM 285 C LYS A 18 -9.671 -12.194 5.703 1.00 10.00 C ATOM 286 O LYS A 18 -9.876 -13.377 5.955 1.00 10.00 O ATOM 287 CB LYS A 18 -11.239 -10.188 5.938 1.00 10.00 C ATOM 288 CG LYS A 18 -12.465 -10.920 5.369 1.00 10.00 C ATOM 289 CD LYS A 18 -13.224 -11.693 6.457 1.00 10.00 C ATOM 290 CE LYS A 18 -14.642 -12.063 6.009 1.00 10.00 C ATOM 291 NZ LYS A 18 -14.632 -13.001 4.873 1.00 10.00 N ATOM 0 H LYS A 18 -9.256 -9.308 7.068 1.00 10.00 H new ATOM 0 HA LYS A 18 -10.759 -11.642 7.431 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -11.577 -9.431 6.646 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -10.733 -9.663 5.127 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -13.135 -10.198 4.902 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -12.146 -11.610 4.588 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -12.674 -12.600 6.709 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -13.275 -11.089 7.363 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -15.182 -12.510 6.844 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -15.182 -11.159 5.728 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -15.610 -13.226 4.600 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -14.139 -12.565 4.067 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -14.139 -13.875 5.148 1.00 10.00 H new ATOM 305 N CYS A 19 -8.922 -11.796 4.667 1.00 10.00 N ATOM 306 CA CYS A 19 -8.259 -12.698 3.721 1.00 10.00 C ATOM 307 C CYS A 19 -7.445 -13.800 4.421 1.00 10.00 C ATOM 308 O CYS A 19 -7.531 -14.973 4.065 1.00 10.00 O ATOM 309 CB CYS A 19 -7.378 -11.868 2.782 1.00 10.00 C ATOM 310 SG CYS A 19 -6.537 -12.814 1.491 1.00 10.00 S ATOM 0 H CYS A 19 -8.757 -10.811 4.459 1.00 10.00 H new ATOM 0 HA CYS A 19 -9.026 -13.217 3.147 1.00 10.00 H new ATOM 0 HB2 CYS A 19 -7.996 -11.105 2.309 1.00 10.00 H new ATOM 0 HB3 CYS A 19 -6.628 -11.347 3.377 1.00 10.00 H new ATOM 0 HG CYS A 19 -5.825 -12.010 0.758 1.00 10.00 H new ATOM 315 N LYS A 20 -6.661 -13.418 5.433 1.00 10.00 N ATOM 316 CA LYS A 20 -5.896 -14.331 6.279 1.00 10.00 C ATOM 317 C LYS A 20 -6.796 -15.253 7.121 1.00 10.00 C ATOM 318 O LYS A 20 -6.415 -16.389 7.407 1.00 10.00 O ATOM 319 CB LYS A 20 -4.962 -13.491 7.165 1.00 10.00 C ATOM 320 CG LYS A 20 -4.044 -14.353 8.045 1.00 10.00 C ATOM 321 CD LYS A 20 -3.160 -13.498 8.964 1.00 10.00 C ATOM 322 CE LYS A 20 -2.080 -12.746 8.182 1.00 10.00 C ATOM 323 NZ LYS A 20 -1.158 -12.045 9.092 1.00 10.00 N ATOM 0 H LYS A 20 -6.539 -12.439 5.691 1.00 10.00 H new ATOM 0 HA LYS A 20 -5.312 -14.998 5.645 1.00 10.00 H new ATOM 0 HB2 LYS A 20 -4.351 -12.846 6.533 1.00 10.00 H new ATOM 0 HB3 LYS A 20 -5.561 -12.839 7.801 1.00 10.00 H new ATOM 0 HG2 LYS A 20 -4.650 -15.027 8.650 1.00 10.00 H new ATOM 0 HG3 LYS A 20 -3.413 -14.975 7.410 1.00 10.00 H new ATOM 0 HD2 LYS A 20 -3.782 -12.783 9.503 1.00 10.00 H new ATOM 0 HD3 LYS A 20 -2.689 -14.137 9.711 1.00 10.00 H new ATOM 0 HE2 LYS A 20 -1.521 -13.447 7.562 1.00 10.00 H new ATOM 0 HE3 LYS A 20 -2.548 -12.028 7.509 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 -0.436 -11.544 8.536 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 -1.690 -11.360 9.666 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 -0.696 -12.735 9.717 1.00 10.00 H new ATOM 337 N ILE A 21 -7.953 -14.757 7.572 1.00 10.00 N ATOM 338 CA ILE A 21 -8.919 -15.425 8.452 1.00 10.00 C ATOM 339 C ILE A 21 -8.379 -15.542 9.886 1.00 10.00 C ATOM 340 O ILE A 21 -9.001 -15.061 10.830 1.00 10.00 O ATOM 341 CB ILE A 21 -9.422 -16.767 7.871 1.00 10.00 C ATOM 342 CG1 ILE A 21 -9.992 -16.556 6.454 1.00 10.00 C ATOM 343 CG2 ILE A 21 -10.499 -17.362 8.792 1.00 10.00 C ATOM 344 CD1 ILE A 21 -10.443 -17.853 5.777 1.00 10.00 C ATOM 0 H ILE A 21 -8.260 -13.818 7.316 1.00 10.00 H new ATOM 0 HA ILE A 21 -9.805 -14.792 8.507 1.00 10.00 H new ATOM 0 HB ILE A 21 -8.584 -17.461 7.808 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -10.838 -15.871 6.510 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -9.234 -16.076 5.834 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -10.850 -18.307 8.378 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -10.077 -17.534 9.782 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -11.335 -16.667 8.870 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -10.833 -17.629 4.784 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -9.595 -18.532 5.689 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -11.223 -18.323 6.375 1.00 10.00 H new ATOM 356 N ILE A 22 -7.214 -16.171 10.057 1.00 10.00 N ATOM 357 CA ILE A 22 -6.522 -16.277 11.342 1.00 10.00 C ATOM 358 C ILE A 22 -6.156 -14.884 11.882 1.00 10.00 C ATOM 359 O ILE A 22 -5.558 -14.103 11.107 1.00 10.00 O ATOM 360 CB ILE A 22 -5.280 -17.182 11.193 1.00 10.00 C ATOM 361 CG1 ILE A 22 -5.695 -18.588 10.712 1.00 10.00 C ATOM 362 CG2 ILE A 22 -4.518 -17.277 12.526 1.00 10.00 C ATOM 363 CD1 ILE A 22 -4.504 -19.510 10.435 1.00 10.00 C ATOM 364 OXT ILE A 22 -6.460 -14.631 13.069 1.00 10.00 O ATOM 0 H ILE A 22 -6.717 -16.629 9.293 1.00 10.00 H new ATOM 0 HA ILE A 22 -7.189 -16.736 12.072 1.00 10.00 H new ATOM 0 HB ILE A 22 -4.619 -16.739 10.448 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -6.334 -19.048 11.466 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -6.291 -18.493 9.804 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -3.646 -17.919 12.402 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -4.195 -16.282 12.832 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -5.172 -17.698 13.290 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -4.866 -20.482 10.101 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -3.876 -19.070 9.660 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -3.920 -19.635 11.347 1.00 10.00 H new ATOM 465 N ILE B 7 1.408 9.758 -4.562 1.00 10.00 N ATOM 466 CA ILE B 7 0.485 9.029 -5.432 1.00 10.00 C ATOM 467 C ILE B 7 0.926 7.575 -5.636 1.00 10.00 C ATOM 468 O ILE B 7 0.083 6.684 -5.645 1.00 10.00 O ATOM 469 CB ILE B 7 0.198 9.767 -6.755 1.00 10.00 C ATOM 470 CG1 ILE B 7 1.416 9.792 -7.691 1.00 10.00 C ATOM 471 CG2 ILE B 7 -0.345 11.173 -6.462 1.00 10.00 C ATOM 472 CD1 ILE B 7 1.163 10.556 -8.993 1.00 10.00 C ATOM 0 HA ILE B 7 -0.473 8.992 -4.913 1.00 10.00 H new ATOM 0 HB ILE B 7 -0.569 9.211 -7.294 1.00 10.00 H new ATOM 0 HG12 ILE B 7 2.258 10.247 -7.169 1.00 10.00 H new ATOM 0 HG13 ILE B 7 1.704 8.768 -7.929 1.00 10.00 H new ATOM 0 HG21 ILE B 7 -0.546 11.689 -7.401 1.00 10.00 H new ATOM 0 HG22 ILE B 7 -1.268 11.094 -5.887 1.00 10.00 H new ATOM 0 HG23 ILE B 7 0.392 11.736 -5.889 1.00 10.00 H new ATOM 0 HD11 ILE B 7 2.063 10.535 -9.608 1.00 10.00 H new ATOM 0 HD12 ILE B 7 0.342 10.088 -9.536 1.00 10.00 H new ATOM 0 HD13 ILE B 7 0.904 11.590 -8.764 1.00 10.00 H new ATOM 484 N GLU B 8 2.231 7.304 -5.757 1.00 10.00 N ATOM 485 CA GLU B 8 2.728 5.937 -5.875 1.00 10.00 C ATOM 486 C GLU B 8 2.458 5.114 -4.604 1.00 10.00 C ATOM 487 O GLU B 8 1.940 4.001 -4.682 1.00 10.00 O ATOM 488 CB GLU B 8 4.209 5.959 -6.276 1.00 10.00 C ATOM 489 CG GLU B 8 4.710 4.565 -6.697 1.00 10.00 C ATOM 490 CD GLU B 8 3.931 3.981 -7.878 1.00 10.00 C ATOM 491 OE1 GLU B 8 3.781 4.709 -8.883 1.00 10.00 O ATOM 492 OE2 GLU B 8 3.485 2.821 -7.748 1.00 10.00 O ATOM 0 H GLU B 8 2.959 8.018 -5.775 1.00 10.00 H new ATOM 0 HA GLU B 8 2.178 5.427 -6.666 1.00 10.00 H new ATOM 0 HB2 GLU B 8 4.352 6.660 -7.098 1.00 10.00 H new ATOM 0 HB3 GLU B 8 4.806 6.322 -5.440 1.00 10.00 H new ATOM 0 HG2 GLU B 8 5.766 4.629 -6.961 1.00 10.00 H new ATOM 0 HG3 GLU B 8 4.634 3.886 -5.848 1.00 10.00 H new ATOM 499 N ALA B 9 2.762 5.666 -3.425 1.00 10.00 N ATOM 500 CA ALA B 9 2.421 5.052 -2.143 1.00 10.00 C ATOM 501 C ALA B 9 0.913 4.764 -2.042 1.00 10.00 C ATOM 502 O ALA B 9 0.506 3.657 -1.684 1.00 10.00 O ATOM 503 CB ALA B 9 2.906 5.954 -1.003 1.00 10.00 C ATOM 0 H ALA B 9 3.254 6.555 -3.335 1.00 10.00 H new ATOM 0 HA ALA B 9 2.926 4.089 -2.064 1.00 10.00 H new ATOM 0 HB1 ALA B 9 2.653 5.498 -0.046 1.00 10.00 H new ATOM 0 HB2 ALA B 9 3.987 6.078 -1.072 1.00 10.00 H new ATOM 0 HB3 ALA B 9 2.424 6.928 -1.080 1.00 10.00 H new ATOM 509 N ARG B 10 0.082 5.749 -2.400 1.00 10.00 N ATOM 510 CA ARG B 10 -1.366 5.579 -2.479 1.00 10.00 C ATOM 511 C ARG B 10 -1.759 4.436 -3.433 1.00 10.00 C ATOM 512 O ARG B 10 -2.517 3.553 -3.045 1.00 10.00 O ATOM 513 CB ARG B 10 -2.031 6.903 -2.882 1.00 10.00 C ATOM 514 CG ARG B 10 -3.554 6.801 -2.729 1.00 10.00 C ATOM 515 CD ARG B 10 -4.282 7.915 -3.490 1.00 10.00 C ATOM 516 NE ARG B 10 -5.714 7.594 -3.613 1.00 10.00 N ATOM 517 CZ ARG B 10 -6.220 6.617 -4.376 1.00 10.00 C ATOM 518 NH1 ARG B 10 -5.447 5.942 -5.224 1.00 10.00 N ATOM 519 NH2 ARG B 10 -7.507 6.299 -4.273 1.00 10.00 N ATOM 0 H ARG B 10 0.399 6.687 -2.643 1.00 10.00 H new ATOM 0 HA ARG B 10 -1.728 5.297 -1.490 1.00 10.00 H new ATOM 0 HB2 ARG B 10 -1.650 7.713 -2.261 1.00 10.00 H new ATOM 0 HB3 ARG B 10 -1.778 7.146 -3.914 1.00 10.00 H new ATOM 0 HG2 ARG B 10 -3.891 5.831 -3.095 1.00 10.00 H new ATOM 0 HG3 ARG B 10 -3.817 6.852 -1.672 1.00 10.00 H new ATOM 0 HD2 ARG B 10 -4.158 8.864 -2.968 1.00 10.00 H new ATOM 0 HD3 ARG B 10 -3.843 8.036 -4.480 1.00 10.00 H new ATOM 0 HE ARG B 10 -6.371 8.160 -3.076 1.00 10.00 H new ATOM 0 HH11 ARG B 10 -4.455 6.167 -5.299 1.00 10.00 H new ATOM 0 HH12 ARG B 10 -5.847 5.200 -5.799 1.00 10.00 H new ATOM 0 HH21 ARG B 10 -8.105 6.799 -3.615 1.00 10.00 H new ATOM 0 HH22 ARG B 10 -7.897 5.555 -4.852 1.00 10.00 H new ATOM 533 N LYS B 11 -1.262 4.442 -4.675 1.00 10.00 N ATOM 534 CA LYS B 11 -1.505 3.383 -5.658 1.00 10.00 C ATOM 535 C LYS B 11 -1.140 2.001 -5.098 1.00 10.00 C ATOM 536 O LYS B 11 -1.951 1.082 -5.144 1.00 10.00 O ATOM 537 CB LYS B 11 -0.708 3.659 -6.941 1.00 10.00 C ATOM 538 CG LYS B 11 -1.316 4.778 -7.794 1.00 10.00 C ATOM 539 CD LYS B 11 -0.291 5.347 -8.788 1.00 10.00 C ATOM 540 CE LYS B 11 0.297 4.274 -9.712 1.00 10.00 C ATOM 541 NZ LYS B 11 1.328 4.845 -10.597 1.00 10.00 N ATOM 0 H LYS B 11 -0.671 5.194 -5.030 1.00 10.00 H new ATOM 0 HA LYS B 11 -2.570 3.380 -5.889 1.00 10.00 H new ATOM 0 HB2 LYS B 11 0.315 3.926 -6.676 1.00 10.00 H new ATOM 0 HB3 LYS B 11 -0.656 2.746 -7.533 1.00 10.00 H new ATOM 0 HG2 LYS B 11 -2.179 4.394 -8.339 1.00 10.00 H new ATOM 0 HG3 LYS B 11 -1.678 5.576 -7.146 1.00 10.00 H new ATOM 0 HD2 LYS B 11 -0.767 6.119 -9.392 1.00 10.00 H new ATOM 0 HD3 LYS B 11 0.517 5.827 -8.236 1.00 10.00 H new ATOM 0 HE2 LYS B 11 0.730 3.472 -9.114 1.00 10.00 H new ATOM 0 HE3 LYS B 11 -0.498 3.831 -10.312 1.00 10.00 H new ATOM 0 HZ1 LYS B 11 1.407 4.266 -11.457 1.00 10.00 H new ATOM 0 HZ2 LYS B 11 1.063 5.817 -10.857 1.00 10.00 H new ATOM 0 HZ3 LYS B 11 2.243 4.856 -10.102 1.00 10.00 H new ATOM 555 N TYR B 12 0.071 1.860 -4.555 1.00 10.00 N ATOM 556 CA TYR B 12 0.543 0.646 -3.896 1.00 10.00 C ATOM 557 C TYR B 12 -0.428 0.178 -2.794 1.00 10.00 C ATOM 558 O TYR B 12 -0.938 -0.944 -2.844 1.00 10.00 O ATOM 559 CB TYR B 12 1.961 0.927 -3.379 1.00 10.00 C ATOM 560 CG TYR B 12 2.572 -0.137 -2.491 1.00 10.00 C ATOM 561 CD1 TYR B 12 3.050 -1.338 -3.044 1.00 10.00 C ATOM 562 CD2 TYR B 12 2.789 0.138 -1.127 1.00 10.00 C ATOM 563 CE1 TYR B 12 3.749 -2.255 -2.239 1.00 10.00 C ATOM 564 CE2 TYR B 12 3.440 -0.803 -0.313 1.00 10.00 C ATOM 565 CZ TYR B 12 3.948 -1.982 -0.876 1.00 10.00 C ATOM 566 OH TYR B 12 4.611 -2.879 -0.095 1.00 10.00 O ATOM 0 H TYR B 12 0.766 2.607 -4.563 1.00 10.00 H new ATOM 0 HA TYR B 12 0.578 -0.187 -4.599 1.00 10.00 H new ATOM 0 HB2 TYR B 12 2.616 1.074 -4.238 1.00 10.00 H new ATOM 0 HB3 TYR B 12 1.944 1.866 -2.826 1.00 10.00 H new ATOM 0 HD1 TYR B 12 2.880 -1.556 -4.088 1.00 10.00 H new ATOM 0 HD2 TYR B 12 2.454 1.075 -0.706 1.00 10.00 H new ATOM 0 HE1 TYR B 12 4.133 -3.169 -2.669 1.00 10.00 H new ATOM 0 HE2 TYR B 12 3.549 -0.619 0.746 1.00 10.00 H new ATOM 0 HH TYR B 12 4.664 -2.538 0.822 1.00 10.00 H new ATOM 576 N LEU B 13 -0.717 1.048 -1.817 1.00 10.00 N ATOM 577 CA LEU B 13 -1.687 0.780 -0.753 1.00 10.00 C ATOM 578 C LEU B 13 -3.041 0.326 -1.323 1.00 10.00 C ATOM 579 O LEU B 13 -3.536 -0.753 -0.998 1.00 10.00 O ATOM 580 CB LEU B 13 -1.808 2.036 0.130 1.00 10.00 C ATOM 581 CG LEU B 13 -2.635 1.845 1.416 1.00 10.00 C ATOM 582 CD1 LEU B 13 -2.219 2.900 2.447 1.00 10.00 C ATOM 583 CD2 LEU B 13 -4.149 1.967 1.190 1.00 10.00 C ATOM 0 H LEU B 13 -0.278 1.966 -1.745 1.00 10.00 H new ATOM 0 HA LEU B 13 -1.338 -0.048 -0.136 1.00 10.00 H new ATOM 0 HB2 LEU B 13 -0.807 2.368 0.405 1.00 10.00 H new ATOM 0 HB3 LEU B 13 -2.258 2.835 -0.459 1.00 10.00 H new ATOM 0 HG LEU B 13 -2.433 0.833 1.767 1.00 10.00 H new ATOM 0 HD11 LEU B 13 -2.802 2.768 3.358 1.00 10.00 H new ATOM 0 HD12 LEU B 13 -1.159 2.788 2.675 1.00 10.00 H new ATOM 0 HD13 LEU B 13 -2.400 3.896 2.042 1.00 10.00 H new ATOM 0 HD21 LEU B 13 -4.671 1.822 2.136 1.00 10.00 H new ATOM 0 HD22 LEU B 13 -4.380 2.957 0.796 1.00 10.00 H new ATOM 0 HD23 LEU B 13 -4.473 1.209 0.477 1.00 10.00 H new ATOM 595 N GLU B 14 -3.636 1.148 -2.189 1.00 10.00 N ATOM 596 CA GLU B 14 -4.911 0.879 -2.839 1.00 10.00 C ATOM 597 C GLU B 14 -4.909 -0.476 -3.558 1.00 10.00 C ATOM 598 O GLU B 14 -5.817 -1.277 -3.366 1.00 10.00 O ATOM 599 CB GLU B 14 -5.237 2.044 -3.785 1.00 10.00 C ATOM 600 CG GLU B 14 -6.593 1.844 -4.479 1.00 10.00 C ATOM 601 CD GLU B 14 -7.008 3.064 -5.295 1.00 10.00 C ATOM 602 OE1 GLU B 14 -6.236 3.435 -6.206 1.00 10.00 O ATOM 603 OE2 GLU B 14 -8.081 3.628 -4.987 1.00 10.00 O ATOM 0 H GLU B 14 -3.230 2.043 -2.462 1.00 10.00 H new ATOM 0 HA GLU B 14 -5.695 0.808 -2.086 1.00 10.00 H new ATOM 0 HB2 GLU B 14 -5.249 2.978 -3.223 1.00 10.00 H new ATOM 0 HB3 GLU B 14 -4.452 2.134 -4.536 1.00 10.00 H new ATOM 0 HG2 GLU B 14 -6.540 0.973 -5.132 1.00 10.00 H new ATOM 0 HG3 GLU B 14 -7.356 1.634 -3.729 1.00 10.00 H new ATOM 610 N GLN B 15 -3.893 -0.755 -4.376 1.00 10.00 N ATOM 611 CA GLN B 15 -3.787 -2.009 -5.110 1.00 10.00 C ATOM 612 C GLN B 15 -3.726 -3.221 -4.169 1.00 10.00 C ATOM 613 O GLN B 15 -4.443 -4.204 -4.387 1.00 10.00 O ATOM 614 CB GLN B 15 -2.584 -1.951 -6.061 1.00 10.00 C ATOM 615 CG GLN B 15 -2.403 -3.234 -6.889 1.00 10.00 C ATOM 616 CD GLN B 15 -3.606 -3.568 -7.769 1.00 10.00 C ATOM 617 OE1 GLN B 15 -3.616 -3.290 -8.959 1.00 10.00 O ATOM 618 NE2 GLN B 15 -4.630 -4.197 -7.209 1.00 10.00 N ATOM 0 H GLN B 15 -3.119 -0.112 -4.546 1.00 10.00 H new ATOM 0 HA GLN B 15 -4.689 -2.140 -5.707 1.00 10.00 H new ATOM 0 HB2 GLN B 15 -2.704 -1.104 -6.737 1.00 10.00 H new ATOM 0 HB3 GLN B 15 -1.679 -1.770 -5.481 1.00 10.00 H new ATOM 0 HG2 GLN B 15 -1.520 -3.128 -7.520 1.00 10.00 H new ATOM 0 HG3 GLN B 15 -2.214 -4.069 -6.214 1.00 10.00 H new ATOM 0 HE21 GLN B 15 -4.608 -4.423 -6.215 1.00 10.00 H new ATOM 0 HE22 GLN B 15 -5.440 -4.455 -7.773 1.00 10.00 H new ATOM 627 N LEU B 16 -2.888 -3.156 -3.127 1.00 10.00 N ATOM 628 CA LEU B 16 -2.856 -4.183 -2.086 1.00 10.00 C ATOM 629 C LEU B 16 -4.247 -4.374 -1.463 1.00 10.00 C ATOM 630 O LEU B 16 -4.783 -5.481 -1.470 1.00 10.00 O ATOM 631 CB LEU B 16 -1.825 -3.818 -1.009 1.00 10.00 C ATOM 632 CG LEU B 16 -0.366 -3.928 -1.480 1.00 10.00 C ATOM 633 CD1 LEU B 16 0.529 -3.230 -0.454 1.00 10.00 C ATOM 634 CD2 LEU B 16 0.078 -5.390 -1.618 1.00 10.00 C ATOM 0 H LEU B 16 -2.221 -2.398 -2.985 1.00 10.00 H new ATOM 0 HA LEU B 16 -2.560 -5.127 -2.544 1.00 10.00 H new ATOM 0 HB2 LEU B 16 -2.012 -2.798 -0.672 1.00 10.00 H new ATOM 0 HB3 LEU B 16 -1.968 -4.470 -0.147 1.00 10.00 H new ATOM 0 HG LEU B 16 -0.283 -3.458 -2.460 1.00 10.00 H new ATOM 0 HD11 LEU B 16 1.569 -3.298 -0.772 1.00 10.00 H new ATOM 0 HD12 LEU B 16 0.242 -2.181 -0.374 1.00 10.00 H new ATOM 0 HD13 LEU B 16 0.414 -3.712 0.517 1.00 10.00 H new ATOM 0 HD21 LEU B 16 1.115 -5.425 -1.953 1.00 10.00 H new ATOM 0 HD22 LEU B 16 -0.009 -5.889 -0.653 1.00 10.00 H new ATOM 0 HD23 LEU B 16 -0.556 -5.896 -2.346 1.00 10.00 H new ATOM 646 N HIS B 17 -4.849 -3.296 -0.954 1.00 10.00 N ATOM 647 CA HIS B 17 -6.194 -3.327 -0.386 1.00 10.00 C ATOM 648 C HIS B 17 -7.219 -3.957 -1.343 1.00 10.00 C ATOM 649 O HIS B 17 -7.979 -4.829 -0.935 1.00 10.00 O ATOM 650 CB HIS B 17 -6.596 -1.911 0.029 1.00 10.00 C ATOM 651 CG HIS B 17 -7.984 -1.804 0.611 1.00 10.00 C ATOM 652 ND1 HIS B 17 -8.672 -2.776 1.310 1.00 10.00 N ATOM 653 CD2 HIS B 17 -8.802 -0.711 0.506 1.00 10.00 C ATOM 654 CE1 HIS B 17 -9.876 -2.266 1.615 1.00 10.00 C ATOM 655 NE2 HIS B 17 -10.004 -1.015 1.147 1.00 10.00 N ATOM 0 H HIS B 17 -4.413 -2.374 -0.925 1.00 10.00 H new ATOM 0 HA HIS B 17 -6.184 -3.967 0.496 1.00 10.00 H new ATOM 0 HB2 HIS B 17 -5.878 -1.542 0.762 1.00 10.00 H new ATOM 0 HB3 HIS B 17 -6.528 -1.257 -0.841 1.00 10.00 H new ATOM 0 HD1 HIS B 17 -8.330 -3.707 1.550 1.00 10.00 H new ATOM 0 HD2 HIS B 17 -8.560 0.220 0.015 1.00 10.00 H new ATOM 0 HE1 HIS B 17 -10.641 -2.794 2.165 1.00 10.00 H new ATOM 663 N ARG B 18 -7.232 -3.549 -2.615 1.00 10.00 N ATOM 664 CA ARG B 18 -8.092 -4.128 -3.645 1.00 10.00 C ATOM 665 C ARG B 18 -7.892 -5.644 -3.774 1.00 10.00 C ATOM 666 O ARG B 18 -8.867 -6.391 -3.718 1.00 10.00 O ATOM 667 CB ARG B 18 -7.868 -3.422 -4.989 1.00 10.00 C ATOM 668 CG ARG B 18 -8.519 -2.033 -5.015 1.00 10.00 C ATOM 669 CD ARG B 18 -8.172 -1.325 -6.326 1.00 10.00 C ATOM 670 NE ARG B 18 -8.795 0.007 -6.381 1.00 10.00 N ATOM 671 CZ ARG B 18 -8.675 0.872 -7.393 1.00 10.00 C ATOM 672 NH1 ARG B 18 -7.954 0.568 -8.469 1.00 10.00 N ATOM 673 NH2 ARG B 18 -9.279 2.054 -7.325 1.00 10.00 N ATOM 0 H ARG B 18 -6.636 -2.797 -2.961 1.00 10.00 H new ATOM 0 HA ARG B 18 -9.126 -3.971 -3.340 1.00 10.00 H new ATOM 0 HB2 ARG B 18 -6.798 -3.326 -5.176 1.00 10.00 H new ATOM 0 HB3 ARG B 18 -8.279 -4.032 -5.794 1.00 10.00 H new ATOM 0 HG2 ARG B 18 -9.601 -2.126 -4.916 1.00 10.00 H new ATOM 0 HG3 ARG B 18 -8.171 -1.442 -4.168 1.00 10.00 H new ATOM 0 HD2 ARG B 18 -7.090 -1.230 -6.418 1.00 10.00 H new ATOM 0 HD3 ARG B 18 -8.512 -1.925 -7.170 1.00 10.00 H new ATOM 0 HE ARG B 18 -9.363 0.293 -5.584 1.00 10.00 H new ATOM 0 HH11 ARG B 18 -7.484 -0.335 -8.529 1.00 10.00 H new ATOM 0 HH12 ARG B 18 -7.871 1.238 -9.234 1.00 10.00 H new ATOM 0 HH21 ARG B 18 -9.831 2.298 -6.503 1.00 10.00 H new ATOM 0 HH22 ARG B 18 -9.190 2.717 -8.095 1.00 10.00 H new ATOM 687 N LYS B 19 -6.652 -6.123 -3.924 1.00 10.00 N ATOM 688 CA LYS B 19 -6.386 -7.566 -3.944 1.00 10.00 C ATOM 689 C LYS B 19 -6.903 -8.261 -2.673 1.00 10.00 C ATOM 690 O LYS B 19 -7.646 -9.241 -2.742 1.00 10.00 O ATOM 691 CB LYS B 19 -4.886 -7.830 -4.141 1.00 10.00 C ATOM 692 CG LYS B 19 -4.466 -7.629 -5.601 1.00 10.00 C ATOM 693 CD LYS B 19 -2.967 -7.920 -5.754 1.00 10.00 C ATOM 694 CE LYS B 19 -2.556 -8.017 -7.229 1.00 10.00 C ATOM 695 NZ LYS B 19 -2.750 -6.740 -7.937 1.00 10.00 N ATOM 0 H LYS B 19 -5.823 -5.538 -4.032 1.00 10.00 H new ATOM 0 HA LYS B 19 -6.930 -7.992 -4.787 1.00 10.00 H new ATOM 0 HB2 LYS B 19 -4.311 -7.161 -3.501 1.00 10.00 H new ATOM 0 HB3 LYS B 19 -4.651 -8.848 -3.831 1.00 10.00 H new ATOM 0 HG2 LYS B 19 -5.042 -8.289 -6.249 1.00 10.00 H new ATOM 0 HG3 LYS B 19 -4.682 -6.607 -5.914 1.00 10.00 H new ATOM 0 HD2 LYS B 19 -2.392 -7.133 -5.267 1.00 10.00 H new ATOM 0 HD3 LYS B 19 -2.724 -8.853 -5.246 1.00 10.00 H new ATOM 0 HE2 LYS B 19 -1.509 -8.314 -7.296 1.00 10.00 H new ATOM 0 HE3 LYS B 19 -3.140 -8.796 -7.718 1.00 10.00 H new ATOM 0 HZ1 LYS B 19 -2.429 -6.837 -8.922 1.00 10.00 H new ATOM 0 HZ2 LYS B 19 -3.758 -6.486 -7.925 1.00 10.00 H new ATOM 0 HZ3 LYS B 19 -2.199 -5.994 -7.465 1.00 10.00 H new ATOM 709 N LEU B 20 -6.525 -7.742 -1.504 1.00 10.00 N ATOM 710 CA LEU B 20 -6.915 -8.296 -0.208 1.00 10.00 C ATOM 711 C LEU B 20 -8.435 -8.243 0.025 1.00 10.00 C ATOM 712 O LEU B 20 -8.987 -9.096 0.712 1.00 10.00 O ATOM 713 CB LEU B 20 -6.131 -7.579 0.899 1.00 10.00 C ATOM 714 CG LEU B 20 -4.609 -7.794 0.776 1.00 10.00 C ATOM 715 CD1 LEU B 20 -3.886 -6.780 1.664 1.00 10.00 C ATOM 716 CD2 LEU B 20 -4.193 -9.220 1.159 1.00 10.00 C ATOM 0 H LEU B 20 -5.932 -6.915 -1.430 1.00 10.00 H new ATOM 0 HA LEU B 20 -6.662 -9.356 -0.192 1.00 10.00 H new ATOM 0 HB2 LEU B 20 -6.348 -6.512 0.861 1.00 10.00 H new ATOM 0 HB3 LEU B 20 -6.469 -7.939 1.871 1.00 10.00 H new ATOM 0 HG LEU B 20 -4.330 -7.648 -0.268 1.00 10.00 H new ATOM 0 HD11 LEU B 20 -2.809 -6.927 1.582 1.00 10.00 H new ATOM 0 HD12 LEU B 20 -4.140 -5.770 1.344 1.00 10.00 H new ATOM 0 HD13 LEU B 20 -4.193 -6.920 2.700 1.00 10.00 H new ATOM 0 HD21 LEU B 20 -3.113 -9.324 1.057 1.00 10.00 H new ATOM 0 HD22 LEU B 20 -4.480 -9.418 2.192 1.00 10.00 H new ATOM 0 HD23 LEU B 20 -4.690 -9.933 0.501 1.00 10.00 H new ATOM 728 N LYS B 21 -9.135 -7.273 -0.567 1.00 10.00 N ATOM 729 CA LYS B 21 -10.592 -7.251 -0.622 1.00 10.00 C ATOM 730 C LYS B 21 -11.115 -8.355 -1.552 1.00 10.00 C ATOM 731 O LYS B 21 -11.923 -9.186 -1.142 1.00 10.00 O ATOM 732 CB LYS B 21 -11.057 -5.853 -1.056 1.00 10.00 C ATOM 733 CG LYS B 21 -12.577 -5.691 -0.931 1.00 10.00 C ATOM 734 CD LYS B 21 -12.965 -4.254 -1.304 1.00 10.00 C ATOM 735 CE LYS B 21 -14.484 -4.050 -1.261 1.00 10.00 C ATOM 736 NZ LYS B 21 -15.017 -4.197 0.105 1.00 10.00 N ATOM 0 H LYS B 21 -8.698 -6.474 -1.026 1.00 10.00 H new ATOM 0 HA LYS B 21 -11.005 -7.455 0.366 1.00 10.00 H new ATOM 0 HB2 LYS B 21 -10.560 -5.099 -0.445 1.00 10.00 H new ATOM 0 HB3 LYS B 21 -10.757 -5.675 -2.089 1.00 10.00 H new ATOM 0 HG2 LYS B 21 -13.085 -6.399 -1.586 1.00 10.00 H new ATOM 0 HG3 LYS B 21 -12.896 -5.914 0.087 1.00 10.00 H new ATOM 0 HD2 LYS B 21 -12.484 -3.557 -0.618 1.00 10.00 H new ATOM 0 HD3 LYS B 21 -12.595 -4.024 -2.303 1.00 10.00 H new ATOM 0 HE2 LYS B 21 -14.729 -3.058 -1.642 1.00 10.00 H new ATOM 0 HE3 LYS B 21 -14.967 -4.772 -1.919 1.00 10.00 H new ATOM 0 HZ1 LYS B 21 -16.028 -3.953 0.111 1.00 10.00 H new ATOM 0 HZ2 LYS B 21 -14.896 -5.181 0.421 1.00 10.00 H new ATOM 0 HZ3 LYS B 21 -14.503 -3.561 0.748 1.00 10.00 H new ATOM 750 N ASN B 22 -10.635 -8.387 -2.802 1.00 10.00 N ATOM 751 CA ASN B 22 -11.020 -9.369 -3.820 1.00 10.00 C ATOM 752 C ASN B 22 -10.822 -10.816 -3.340 1.00 10.00 C ATOM 753 O ASN B 22 -11.600 -11.692 -3.710 1.00 10.00 O ATOM 754 CB ASN B 22 -10.238 -9.092 -5.115 1.00 10.00 C ATOM 755 CG ASN B 22 -10.886 -9.645 -6.385 1.00 10.00 C ATOM 756 OD1 ASN B 22 -10.833 -9.011 -7.431 1.00 10.00 O ATOM 757 ND2 ASN B 22 -11.509 -10.815 -6.354 1.00 10.00 N ATOM 0 H ASN B 22 -9.950 -7.712 -3.141 1.00 10.00 H new ATOM 0 HA ASN B 22 -12.087 -9.261 -4.015 1.00 10.00 H new ATOM 0 HB2 ASN B 22 -10.116 -8.015 -5.226 1.00 10.00 H new ATOM 0 HB3 ASN B 22 -9.239 -9.518 -5.018 1.00 10.00 H new ATOM 0 HD21 ASN B 22 -11.942 -11.185 -7.200 1.00 10.00 H new ATOM 0 HD22 ASN B 22 -11.555 -11.346 -5.484 1.00 10.00 H new ATOM 914 N PRO C 7 6.686 5.855 5.224 1.00 10.00 N ATOM 915 CA PRO C 7 7.542 4.684 5.044 1.00 10.00 C ATOM 916 C PRO C 7 7.206 3.501 5.955 1.00 10.00 C ATOM 917 O PRO C 7 7.227 2.360 5.503 1.00 10.00 O ATOM 918 CB PRO C 7 8.970 5.184 5.272 1.00 10.00 C ATOM 919 CG PRO C 7 8.893 6.615 4.751 1.00 10.00 C ATOM 920 CD PRO C 7 7.500 7.064 5.192 1.00 10.00 C ATOM 0 HA PRO C 7 7.394 4.275 4.044 1.00 10.00 H new ATOM 0 HB2 PRO C 7 9.252 5.148 6.324 1.00 10.00 H new ATOM 0 HB3 PRO C 7 9.702 4.590 4.725 1.00 10.00 H new ATOM 0 HG2 PRO C 7 9.674 7.243 5.179 1.00 10.00 H new ATOM 0 HG3 PRO C 7 9.007 6.657 3.668 1.00 10.00 H new ATOM 0 HD2 PRO C 7 7.534 7.539 6.173 1.00 10.00 H new ATOM 0 HD3 PRO C 7 7.087 7.796 4.498 1.00 10.00 H new ATOM 928 N GLY C 8 6.864 3.771 7.221 1.00 10.00 N ATOM 929 CA GLY C 8 6.381 2.778 8.180 1.00 10.00 C ATOM 930 C GLY C 8 5.357 1.792 7.599 1.00 10.00 C ATOM 931 O GLY C 8 5.422 0.600 7.881 1.00 10.00 O ATOM 0 H GLY C 8 6.918 4.711 7.614 1.00 10.00 H new ATOM 0 HA2 GLY C 8 7.232 2.216 8.565 1.00 10.00 H new ATOM 0 HA3 GLY C 8 5.931 3.296 9.027 1.00 10.00 H new ATOM 935 N PHE C 9 4.420 2.270 6.771 1.00 10.00 N ATOM 936 CA PHE C 9 3.458 1.408 6.086 1.00 10.00 C ATOM 937 C PHE C 9 4.161 0.405 5.154 1.00 10.00 C ATOM 938 O PHE C 9 4.061 -0.810 5.328 1.00 10.00 O ATOM 939 CB PHE C 9 2.452 2.278 5.320 1.00 10.00 C ATOM 940 CG PHE C 9 1.555 1.481 4.397 1.00 10.00 C ATOM 941 CD1 PHE C 9 0.705 0.502 4.940 1.00 10.00 C ATOM 942 CD2 PHE C 9 1.714 1.573 3.002 1.00 10.00 C ATOM 943 CE1 PHE C 9 0.013 -0.380 4.095 1.00 10.00 C ATOM 944 CE2 PHE C 9 1.003 0.705 2.156 1.00 10.00 C ATOM 945 CZ PHE C 9 0.175 -0.287 2.701 1.00 10.00 C ATOM 0 H PHE C 9 4.310 3.262 6.560 1.00 10.00 H new ATOM 0 HA PHE C 9 2.921 0.818 6.829 1.00 10.00 H new ATOM 0 HB2 PHE C 9 1.835 2.823 6.034 1.00 10.00 H new ATOM 0 HB3 PHE C 9 2.995 3.021 4.736 1.00 10.00 H new ATOM 0 HD1 PHE C 9 0.584 0.428 6.011 1.00 10.00 H new ATOM 0 HD2 PHE C 9 2.382 2.310 2.582 1.00 10.00 H new ATOM 0 HE1 PHE C 9 -0.643 -1.129 4.515 1.00 10.00 H new ATOM 0 HE2 PHE C 9 1.094 0.802 1.084 1.00 10.00 H new ATOM 0 HZ PHE C 9 -0.338 -0.980 2.050 1.00 10.00 H new ATOM 955 N THR C 10 4.897 0.918 4.167 1.00 10.00 N ATOM 956 CA THR C 10 5.664 0.111 3.223 1.00 10.00 C ATOM 957 C THR C 10 6.591 -0.870 3.947 1.00 10.00 C ATOM 958 O THR C 10 6.658 -2.046 3.592 1.00 10.00 O ATOM 959 CB THR C 10 6.447 1.042 2.289 1.00 10.00 C ATOM 960 OG1 THR C 10 5.563 2.014 1.770 1.00 10.00 O ATOM 961 CG2 THR C 10 7.063 0.281 1.112 1.00 10.00 C ATOM 0 H THR C 10 4.977 1.921 4.000 1.00 10.00 H new ATOM 0 HA THR C 10 4.978 -0.493 2.630 1.00 10.00 H new ATOM 0 HB THR C 10 7.251 1.498 2.867 1.00 10.00 H new ATOM 0 HG1 THR C 10 6.053 2.616 1.172 1.00 10.00 H new ATOM 0 HG21 THR C 10 7.609 0.977 0.475 1.00 10.00 H new ATOM 0 HG22 THR C 10 7.747 -0.479 1.488 1.00 10.00 H new ATOM 0 HG23 THR C 10 6.272 -0.197 0.534 1.00 10.00 H new ATOM 969 N ALA C 11 7.282 -0.390 4.983 1.00 10.00 N ATOM 970 CA ALA C 11 8.142 -1.185 5.848 1.00 10.00 C ATOM 971 C ALA C 11 7.366 -2.297 6.575 1.00 10.00 C ATOM 972 O ALA C 11 7.796 -3.449 6.552 1.00 10.00 O ATOM 973 CB ALA C 11 8.872 -0.252 6.816 1.00 10.00 C ATOM 0 H ALA C 11 7.254 0.595 5.248 1.00 10.00 H new ATOM 0 HA ALA C 11 8.881 -1.703 5.237 1.00 10.00 H new ATOM 0 HB1 ALA C 11 9.519 -0.838 7.468 1.00 10.00 H new ATOM 0 HB2 ALA C 11 9.475 0.459 6.251 1.00 10.00 H new ATOM 0 HB3 ALA C 11 8.143 0.289 7.419 1.00 10.00 H new ATOM 979 N LEU C 12 6.205 -1.994 7.171 1.00 10.00 N ATOM 980 CA LEU C 12 5.309 -3.006 7.736 1.00 10.00 C ATOM 981 C LEU C 12 4.985 -4.086 6.699 1.00 10.00 C ATOM 982 O LEU C 12 5.217 -5.268 6.946 1.00 10.00 O ATOM 983 CB LEU C 12 4.040 -2.345 8.304 1.00 10.00 C ATOM 984 CG LEU C 12 3.064 -3.327 8.983 1.00 10.00 C ATOM 985 CD1 LEU C 12 2.155 -2.558 9.945 1.00 10.00 C ATOM 986 CD2 LEU C 12 2.141 -4.072 8.004 1.00 10.00 C ATOM 0 H LEU C 12 5.862 -1.039 7.274 1.00 10.00 H new ATOM 0 HA LEU C 12 5.815 -3.502 8.564 1.00 10.00 H new ATOM 0 HB2 LEU C 12 4.333 -1.584 9.027 1.00 10.00 H new ATOM 0 HB3 LEU C 12 3.518 -1.833 7.496 1.00 10.00 H new ATOM 0 HG LEU C 12 3.693 -4.061 9.486 1.00 10.00 H new ATOM 0 HD11 LEU C 12 1.465 -3.251 10.426 1.00 10.00 H new ATOM 0 HD12 LEU C 12 2.762 -2.066 10.704 1.00 10.00 H new ATOM 0 HD13 LEU C 12 1.590 -1.809 9.391 1.00 10.00 H new ATOM 0 HD21 LEU C 12 1.486 -4.743 8.560 1.00 10.00 H new ATOM 0 HD22 LEU C 12 1.538 -3.351 7.452 1.00 10.00 H new ATOM 0 HD23 LEU C 12 2.744 -4.651 7.305 1.00 10.00 H new ATOM 998 N ILE C 13 4.468 -3.696 5.529 1.00 10.00 N ATOM 999 CA ILE C 13 4.123 -4.658 4.478 1.00 10.00 C ATOM 1000 C ILE C 13 5.347 -5.488 4.048 1.00 10.00 C ATOM 1001 O ILE C 13 5.275 -6.713 3.973 1.00 10.00 O ATOM 1002 CB ILE C 13 3.437 -3.951 3.294 1.00 10.00 C ATOM 1003 CG1 ILE C 13 2.150 -3.197 3.689 1.00 10.00 C ATOM 1004 CG2 ILE C 13 3.118 -4.960 2.183 1.00 10.00 C ATOM 1005 CD1 ILE C 13 1.001 -4.087 4.182 1.00 10.00 C ATOM 0 H ILE C 13 4.280 -2.723 5.287 1.00 10.00 H new ATOM 0 HA ILE C 13 3.403 -5.368 4.886 1.00 10.00 H new ATOM 0 HB ILE C 13 4.146 -3.204 2.937 1.00 10.00 H new ATOM 0 HG12 ILE C 13 2.394 -2.478 4.471 1.00 10.00 H new ATOM 0 HG13 ILE C 13 1.803 -2.626 2.828 1.00 10.00 H new ATOM 0 HG21 ILE C 13 2.633 -4.446 1.353 1.00 10.00 H new ATOM 0 HG22 ILE C 13 4.042 -5.422 1.834 1.00 10.00 H new ATOM 0 HG23 ILE C 13 2.452 -5.730 2.571 1.00 10.00 H new ATOM 0 HD11 ILE C 13 0.142 -3.465 4.435 1.00 10.00 H new ATOM 0 HD12 ILE C 13 0.722 -4.789 3.396 1.00 10.00 H new ATOM 0 HD13 ILE C 13 1.322 -4.639 5.065 1.00 10.00 H new ATOM 1017 N LYS C 14 6.494 -4.845 3.809 1.00 10.00 N ATOM 1018 CA LYS C 14 7.745 -5.546 3.529 1.00 10.00 C ATOM 1019 C LYS C 14 8.101 -6.551 4.636 1.00 10.00 C ATOM 1020 O LYS C 14 8.466 -7.689 4.347 1.00 10.00 O ATOM 1021 CB LYS C 14 8.864 -4.523 3.291 1.00 10.00 C ATOM 1022 CG LYS C 14 10.238 -5.155 3.021 1.00 10.00 C ATOM 1023 CD LYS C 14 10.233 -6.097 1.809 1.00 10.00 C ATOM 1024 CE LYS C 14 11.652 -6.602 1.537 1.00 10.00 C ATOM 1025 NZ LYS C 14 11.670 -7.538 0.398 1.00 10.00 N ATOM 0 H LYS C 14 6.579 -3.829 3.805 1.00 10.00 H new ATOM 0 HA LYS C 14 7.620 -6.137 2.621 1.00 10.00 H new ATOM 0 HB2 LYS C 14 8.592 -3.892 2.444 1.00 10.00 H new ATOM 0 HB3 LYS C 14 8.939 -3.872 4.162 1.00 10.00 H new ATOM 0 HG2 LYS C 14 10.970 -4.364 2.858 1.00 10.00 H new ATOM 0 HG3 LYS C 14 10.558 -5.708 3.904 1.00 10.00 H new ATOM 0 HD2 LYS C 14 9.567 -6.940 1.995 1.00 10.00 H new ATOM 0 HD3 LYS C 14 9.849 -5.575 0.933 1.00 10.00 H new ATOM 0 HE2 LYS C 14 12.309 -5.757 1.329 1.00 10.00 H new ATOM 0 HE3 LYS C 14 12.042 -7.098 2.426 1.00 10.00 H new ATOM 0 HZ1 LYS C 14 12.643 -7.866 0.234 1.00 10.00 H new ATOM 0 HZ2 LYS C 14 11.061 -8.354 0.609 1.00 10.00 H new ATOM 0 HZ3 LYS C 14 11.319 -7.055 -0.454 1.00 10.00 H new ATOM 1039 N THR C 15 7.966 -6.154 5.903 1.00 10.00 N ATOM 1040 CA THR C 15 8.183 -7.043 7.046 1.00 10.00 C ATOM 1041 C THR C 15 7.204 -8.227 7.025 1.00 10.00 C ATOM 1042 O THR C 15 7.601 -9.367 7.243 1.00 10.00 O ATOM 1043 CB THR C 15 8.099 -6.270 8.371 1.00 10.00 C ATOM 1044 OG1 THR C 15 8.965 -5.157 8.354 1.00 10.00 O ATOM 1045 CG2 THR C 15 8.567 -7.131 9.542 1.00 10.00 C ATOM 0 H THR C 15 7.702 -5.204 6.166 1.00 10.00 H new ATOM 0 HA THR C 15 9.191 -7.450 6.964 1.00 10.00 H new ATOM 0 HB THR C 15 7.057 -5.973 8.486 1.00 10.00 H new ATOM 0 HG1 THR C 15 8.606 -4.473 7.751 1.00 10.00 H new ATOM 0 HG21 THR C 15 8.496 -6.558 10.466 1.00 10.00 H new ATOM 0 HG22 THR C 15 7.937 -8.018 9.616 1.00 10.00 H new ATOM 0 HG23 THR C 15 9.602 -7.433 9.381 1.00 10.00 H new ATOM 1053 N LEU C 16 5.926 -7.970 6.735 1.00 10.00 N ATOM 1054 CA LEU C 16 4.899 -9.000 6.569 1.00 10.00 C ATOM 1055 C LEU C 16 5.263 -10.002 5.458 1.00 10.00 C ATOM 1056 O LEU C 16 5.154 -11.216 5.646 1.00 10.00 O ATOM 1057 CB LEU C 16 3.545 -8.303 6.353 1.00 10.00 C ATOM 1058 CG LEU C 16 2.349 -9.265 6.318 1.00 10.00 C ATOM 1059 CD1 LEU C 16 1.151 -8.638 7.040 1.00 10.00 C ATOM 1060 CD2 LEU C 16 1.951 -9.580 4.872 1.00 10.00 C ATOM 0 H LEU C 16 5.570 -7.023 6.607 1.00 10.00 H new ATOM 0 HA LEU C 16 4.830 -9.609 7.470 1.00 10.00 H new ATOM 0 HB2 LEU C 16 3.391 -7.576 7.150 1.00 10.00 H new ATOM 0 HB3 LEU C 16 3.579 -7.747 5.416 1.00 10.00 H new ATOM 0 HG LEU C 16 2.641 -10.188 6.818 1.00 10.00 H new ATOM 0 HD11 LEU C 16 0.307 -9.327 7.010 1.00 10.00 H new ATOM 0 HD12 LEU C 16 1.417 -8.434 8.077 1.00 10.00 H new ATOM 0 HD13 LEU C 16 0.876 -7.706 6.546 1.00 10.00 H new ATOM 0 HD21 LEU C 16 1.102 -10.263 4.869 1.00 10.00 H new ATOM 0 HD22 LEU C 16 1.676 -8.657 4.361 1.00 10.00 H new ATOM 0 HD23 LEU C 16 2.792 -10.044 4.356 1.00 10.00 H new ATOM 1072 N ARG C 17 5.737 -9.510 4.308 1.00 10.00 N ATOM 1073 CA ARG C 17 6.286 -10.366 3.256 1.00 10.00 C ATOM 1074 C ARG C 17 7.497 -11.178 3.754 1.00 10.00 C ATOM 1075 O ARG C 17 7.504 -12.402 3.657 1.00 10.00 O ATOM 1076 CB ARG C 17 6.631 -9.539 2.008 1.00 10.00 C ATOM 1077 CG ARG C 17 5.370 -9.021 1.303 1.00 10.00 C ATOM 1078 CD ARG C 17 5.709 -8.334 -0.025 1.00 10.00 C ATOM 1079 NE ARG C 17 6.409 -7.056 0.196 1.00 10.00 N ATOM 1080 CZ ARG C 17 5.959 -5.825 -0.082 1.00 10.00 C ATOM 1081 NH1 ARG C 17 4.805 -5.602 -0.703 1.00 10.00 N ATOM 1082 NH2 ARG C 17 6.664 -4.761 0.284 1.00 10.00 N ATOM 0 H ARG C 17 5.750 -8.515 4.083 1.00 10.00 H new ATOM 0 HA ARG C 17 5.518 -11.087 2.978 1.00 10.00 H new ATOM 0 HB2 ARG C 17 7.261 -8.696 2.293 1.00 10.00 H new ATOM 0 HB3 ARG C 17 7.210 -10.150 1.315 1.00 10.00 H new ATOM 0 HG2 ARG C 17 4.687 -9.851 1.120 1.00 10.00 H new ATOM 0 HG3 ARG C 17 4.850 -8.319 1.955 1.00 10.00 H new ATOM 0 HD2 ARG C 17 6.333 -8.993 -0.629 1.00 10.00 H new ATOM 0 HD3 ARG C 17 4.793 -8.157 -0.589 1.00 10.00 H new ATOM 0 HE ARG C 17 7.341 -7.115 0.607 1.00 10.00 H new ATOM 0 HH11 ARG C 17 4.220 -6.387 -0.990 1.00 10.00 H new ATOM 0 HH12 ARG C 17 4.504 -4.646 -0.893 1.00 10.00 H new ATOM 0 HH21 ARG C 17 7.549 -4.880 0.777 1.00 10.00 H new ATOM 0 HH22 ARG C 17 6.321 -3.824 0.072 1.00 10.00 H new ATOM 1096 N LYS C 18 8.510 -10.509 4.316 1.00 10.00 N ATOM 1097 CA LYS C 18 9.704 -11.133 4.895 1.00 10.00 C ATOM 1098 C LYS C 18 9.368 -12.245 5.907 1.00 10.00 C ATOM 1099 O LYS C 18 9.952 -13.324 5.858 1.00 10.00 O ATOM 1100 CB LYS C 18 10.588 -10.029 5.494 1.00 10.00 C ATOM 1101 CG LYS C 18 11.718 -10.585 6.366 1.00 10.00 C ATOM 1102 CD LYS C 18 12.697 -9.479 6.776 1.00 10.00 C ATOM 1103 CE LYS C 18 13.565 -9.939 7.953 1.00 10.00 C ATOM 1104 NZ LYS C 18 14.358 -11.137 7.623 1.00 10.00 N ATOM 0 H LYS C 18 8.522 -9.491 4.382 1.00 10.00 H new ATOM 0 HA LYS C 18 10.256 -11.644 4.106 1.00 10.00 H new ATOM 0 HB2 LYS C 18 11.016 -9.434 4.687 1.00 10.00 H new ATOM 0 HB3 LYS C 18 9.970 -9.358 6.091 1.00 10.00 H new ATOM 0 HG2 LYS C 18 11.298 -11.051 7.257 1.00 10.00 H new ATOM 0 HG3 LYS C 18 12.252 -11.363 5.821 1.00 10.00 H new ATOM 0 HD2 LYS C 18 13.332 -9.215 5.930 1.00 10.00 H new ATOM 0 HD3 LYS C 18 12.145 -8.581 7.053 1.00 10.00 H new ATOM 0 HE2 LYS C 18 14.235 -9.131 8.246 1.00 10.00 H new ATOM 0 HE3 LYS C 18 12.928 -10.152 8.811 1.00 10.00 H new ATOM 0 HZ1 LYS C 18 15.039 -11.324 8.386 1.00 10.00 H new ATOM 0 HZ2 LYS C 18 13.724 -11.955 7.517 1.00 10.00 H new ATOM 0 HZ3 LYS C 18 14.871 -10.979 6.732 1.00 10.00 H new ATOM 1118 N CYS C 19 8.391 -12.004 6.788 1.00 10.00 N ATOM 1119 CA CYS C 19 7.848 -12.977 7.742 1.00 10.00 C ATOM 1120 C CYS C 19 7.231 -14.226 7.075 1.00 10.00 C ATOM 1121 O CYS C 19 6.940 -15.206 7.755 1.00 10.00 O ATOM 1122 CB CYS C 19 6.846 -12.240 8.641 1.00 10.00 C ATOM 1123 SG CYS C 19 6.033 -13.192 9.950 1.00 10.00 S ATOM 0 H CYS C 19 7.940 -11.092 6.859 1.00 10.00 H new ATOM 0 HA CYS C 19 8.667 -13.379 8.338 1.00 10.00 H new ATOM 0 HB2 CYS C 19 7.366 -11.404 9.108 1.00 10.00 H new ATOM 0 HB3 CYS C 19 6.070 -11.817 8.003 1.00 10.00 H new ATOM 0 HG CYS C 19 6.056 -14.456 9.646 1.00 10.00 H new ATOM 1278 N ILE D 7 -3.324 9.112 16.173 1.00 10.00 N ATOM 1279 CA ILE D 7 -2.580 8.519 17.286 1.00 10.00 C ATOM 1280 C ILE D 7 -2.804 7.001 17.425 1.00 10.00 C ATOM 1281 O ILE D 7 -1.859 6.250 17.657 1.00 10.00 O ATOM 1282 CB ILE D 7 -2.864 9.284 18.595 1.00 10.00 C ATOM 1283 CG1 ILE D 7 -4.345 9.212 19.018 1.00 10.00 C ATOM 1284 CG2 ILE D 7 -2.394 10.740 18.451 1.00 10.00 C ATOM 1285 CD1 ILE D 7 -4.627 9.962 20.323 1.00 10.00 C ATOM 0 HA ILE D 7 -1.519 8.626 17.060 1.00 10.00 H new ATOM 0 HB ILE D 7 -2.302 8.800 19.393 1.00 10.00 H new ATOM 0 HG12 ILE D 7 -4.965 9.628 18.224 1.00 10.00 H new ATOM 0 HG13 ILE D 7 -4.634 8.168 19.135 1.00 10.00 H new ATOM 0 HG21 ILE D 7 -2.595 11.280 19.376 1.00 10.00 H new ATOM 0 HG22 ILE D 7 -1.324 10.758 18.245 1.00 10.00 H new ATOM 0 HG23 ILE D 7 -2.930 11.216 17.629 1.00 10.00 H new ATOM 0 HD11 ILE D 7 -5.685 9.876 20.570 1.00 10.00 H new ATOM 0 HD12 ILE D 7 -4.030 9.531 21.127 1.00 10.00 H new ATOM 0 HD13 ILE D 7 -4.367 11.013 20.202 1.00 10.00 H new ATOM 1297 N GLU D 8 -4.045 6.536 17.251 1.00 10.00 N ATOM 1298 CA GLU D 8 -4.394 5.122 17.341 1.00 10.00 C ATOM 1299 C GLU D 8 -3.865 4.354 16.122 1.00 10.00 C ATOM 1300 O GLU D 8 -3.265 3.291 16.262 1.00 10.00 O ATOM 1301 CB GLU D 8 -5.914 4.995 17.501 1.00 10.00 C ATOM 1302 CG GLU D 8 -6.335 3.534 17.724 1.00 10.00 C ATOM 1303 CD GLU D 8 -7.834 3.411 17.983 1.00 10.00 C ATOM 1304 OE1 GLU D 8 -8.596 3.654 17.023 1.00 10.00 O ATOM 1305 OE2 GLU D 8 -8.185 3.085 19.137 1.00 10.00 O ATOM 0 H GLU D 8 -4.840 7.139 17.042 1.00 10.00 H new ATOM 0 HA GLU D 8 -3.921 4.674 18.215 1.00 10.00 H new ATOM 0 HB2 GLU D 8 -6.245 5.603 18.343 1.00 10.00 H new ATOM 0 HB3 GLU D 8 -6.409 5.386 16.612 1.00 10.00 H new ATOM 0 HG2 GLU D 8 -6.067 2.941 16.850 1.00 10.00 H new ATOM 0 HG3 GLU D 8 -5.785 3.122 18.570 1.00 10.00 H new ATOM 1312 N ALA D 9 -4.063 4.912 14.926 1.00 10.00 N ATOM 1313 CA ALA D 9 -3.524 4.376 13.681 1.00 10.00 C ATOM 1314 C ALA D 9 -1.996 4.219 13.755 1.00 10.00 C ATOM 1315 O ALA D 9 -1.465 3.154 13.454 1.00 10.00 O ATOM 1316 CB ALA D 9 -3.957 5.280 12.523 1.00 10.00 C ATOM 0 H ALA D 9 -4.611 5.762 14.797 1.00 10.00 H new ATOM 0 HA ALA D 9 -3.923 3.376 13.511 1.00 10.00 H new ATOM 0 HB1 ALA D 9 -3.559 4.888 11.587 1.00 10.00 H new ATOM 0 HB2 ALA D 9 -5.045 5.308 12.471 1.00 10.00 H new ATOM 0 HB3 ALA D 9 -3.575 6.288 12.686 1.00 10.00 H new ATOM 1322 N ARG D 10 -1.298 5.265 14.208 1.00 10.00 N ATOM 1323 CA ARG D 10 0.134 5.260 14.497 1.00 10.00 C ATOM 1324 C ARG D 10 0.502 4.174 15.518 1.00 10.00 C ATOM 1325 O ARG D 10 1.375 3.349 15.253 1.00 10.00 O ATOM 1326 CB ARG D 10 0.553 6.657 14.975 1.00 10.00 C ATOM 1327 CG ARG D 10 2.047 6.735 15.318 1.00 10.00 C ATOM 1328 CD ARG D 10 2.416 8.136 15.815 1.00 10.00 C ATOM 1329 NE ARG D 10 2.367 9.122 14.725 1.00 10.00 N ATOM 1330 CZ ARG D 10 2.550 10.439 14.864 1.00 10.00 C ATOM 1331 NH1 ARG D 10 2.713 10.988 16.065 1.00 10.00 N ATOM 1332 NH2 ARG D 10 2.580 11.209 13.783 1.00 10.00 N ATOM 0 H ARG D 10 -1.733 6.170 14.389 1.00 10.00 H new ATOM 0 HA ARG D 10 0.681 5.019 13.586 1.00 10.00 H new ATOM 0 HB2 ARG D 10 0.323 7.388 14.200 1.00 10.00 H new ATOM 0 HB3 ARG D 10 -0.033 6.928 15.853 1.00 10.00 H new ATOM 0 HG2 ARG D 10 2.289 5.997 16.083 1.00 10.00 H new ATOM 0 HG3 ARG D 10 2.641 6.488 14.438 1.00 10.00 H new ATOM 0 HD2 ARG D 10 1.731 8.434 16.609 1.00 10.00 H new ATOM 0 HD3 ARG D 10 3.416 8.119 16.247 1.00 10.00 H new ATOM 0 HE ARG D 10 2.178 8.772 13.786 1.00 10.00 H new ATOM 0 HH11 ARG D 10 2.700 10.402 16.900 1.00 10.00 H new ATOM 0 HH12 ARG D 10 2.851 11.995 16.151 1.00 10.00 H new ATOM 0 HH21 ARG D 10 2.464 10.795 12.858 1.00 10.00 H new ATOM 0 HH22 ARG D 10 2.719 12.215 13.877 1.00 10.00 H new ATOM 1346 N LYS D 11 -0.147 4.163 16.688 1.00 10.00 N ATOM 1347 CA LYS D 11 0.084 3.144 17.713 1.00 10.00 C ATOM 1348 C LYS D 11 -0.038 1.725 17.138 1.00 10.00 C ATOM 1349 O LYS D 11 0.871 0.909 17.294 1.00 10.00 O ATOM 1350 CB LYS D 11 -0.885 3.371 18.882 1.00 10.00 C ATOM 1351 CG LYS D 11 -0.670 2.353 20.011 1.00 10.00 C ATOM 1352 CD LYS D 11 -1.531 2.667 21.244 1.00 10.00 C ATOM 1353 CE LYS D 11 -3.038 2.714 20.955 1.00 10.00 C ATOM 1354 NZ LYS D 11 -3.514 1.484 20.298 1.00 10.00 N ATOM 0 H LYS D 11 -0.845 4.859 16.949 1.00 10.00 H new ATOM 0 HA LYS D 11 1.106 3.238 18.081 1.00 10.00 H new ATOM 0 HB2 LYS D 11 -0.752 4.380 19.273 1.00 10.00 H new ATOM 0 HB3 LYS D 11 -1.911 3.302 18.521 1.00 10.00 H new ATOM 0 HG2 LYS D 11 -0.909 1.353 19.648 1.00 10.00 H new ATOM 0 HG3 LYS D 11 0.382 2.346 20.296 1.00 10.00 H new ATOM 0 HD2 LYS D 11 -1.341 1.914 22.009 1.00 10.00 H new ATOM 0 HD3 LYS D 11 -1.220 3.627 21.657 1.00 10.00 H new ATOM 0 HE2 LYS D 11 -3.582 2.860 21.889 1.00 10.00 H new ATOM 0 HE3 LYS D 11 -3.259 3.572 20.320 1.00 10.00 H new ATOM 0 HZ1 LYS D 11 -4.544 1.537 20.167 1.00 10.00 H new ATOM 0 HZ2 LYS D 11 -3.052 1.384 19.372 1.00 10.00 H new ATOM 0 HZ3 LYS D 11 -3.282 0.662 20.891 1.00 10.00 H new ATOM 1368 N TYR D 12 -1.150 1.432 16.459 1.00 10.00 N ATOM 1369 CA TYR D 12 -1.387 0.147 15.810 1.00 10.00 C ATOM 1370 C TYR D 12 -0.316 -0.168 14.755 1.00 10.00 C ATOM 1371 O TYR D 12 0.266 -1.250 14.775 1.00 10.00 O ATOM 1372 CB TYR D 12 -2.799 0.132 15.212 1.00 10.00 C ATOM 1373 CG TYR D 12 -3.182 -1.202 14.600 1.00 10.00 C ATOM 1374 CD1 TYR D 12 -2.826 -1.491 13.270 1.00 10.00 C ATOM 1375 CD2 TYR D 12 -3.821 -2.184 15.380 1.00 10.00 C ATOM 1376 CE1 TYR D 12 -3.116 -2.750 12.721 1.00 10.00 C ATOM 1377 CE2 TYR D 12 -4.131 -3.437 14.820 1.00 10.00 C ATOM 1378 CZ TYR D 12 -3.778 -3.717 13.492 1.00 10.00 C ATOM 1379 OH TYR D 12 -4.089 -4.924 12.942 1.00 10.00 O ATOM 0 H TYR D 12 -1.919 2.092 16.345 1.00 10.00 H new ATOM 0 HA TYR D 12 -1.315 -0.642 16.559 1.00 10.00 H new ATOM 0 HB2 TYR D 12 -3.518 0.385 15.991 1.00 10.00 H new ATOM 0 HB3 TYR D 12 -2.870 0.907 14.449 1.00 10.00 H new ATOM 0 HD1 TYR D 12 -2.329 -0.743 12.670 1.00 10.00 H new ATOM 0 HD2 TYR D 12 -4.074 -1.976 16.409 1.00 10.00 H new ATOM 0 HE1 TYR D 12 -2.829 -2.974 11.704 1.00 10.00 H new ATOM 0 HE2 TYR D 12 -4.640 -4.183 15.412 1.00 10.00 H new ATOM 0 HH TYR D 12 -3.769 -4.954 12.016 1.00 10.00 H new ATOM 1389 N LEU D 13 -0.046 0.772 13.841 1.00 10.00 N ATOM 1390 CA LEU D 13 1.013 0.674 12.836 1.00 10.00 C ATOM 1391 C LEU D 13 2.344 0.258 13.476 1.00 10.00 C ATOM 1392 O LEU D 13 2.910 -0.775 13.118 1.00 10.00 O ATOM 1393 CB LEU D 13 1.111 2.016 12.085 1.00 10.00 C ATOM 1394 CG LEU D 13 2.306 2.163 11.129 1.00 10.00 C ATOM 1395 CD1 LEU D 13 2.275 1.113 10.018 1.00 10.00 C ATOM 1396 CD2 LEU D 13 2.279 3.556 10.493 1.00 10.00 C ATOM 0 H LEU D 13 -0.573 1.643 13.781 1.00 10.00 H new ATOM 0 HA LEU D 13 0.770 -0.106 12.115 1.00 10.00 H new ATOM 0 HB2 LEU D 13 0.194 2.159 11.514 1.00 10.00 H new ATOM 0 HB3 LEU D 13 1.157 2.819 12.820 1.00 10.00 H new ATOM 0 HG LEU D 13 3.217 2.021 11.710 1.00 10.00 H new ATOM 0 HD11 LEU D 13 3.136 1.250 9.363 1.00 10.00 H new ATOM 0 HD12 LEU D 13 2.309 0.116 10.458 1.00 10.00 H new ATOM 0 HD13 LEU D 13 1.358 1.223 9.439 1.00 10.00 H new ATOM 0 HD21 LEU D 13 3.125 3.663 9.815 1.00 10.00 H new ATOM 0 HD22 LEU D 13 1.350 3.684 9.937 1.00 10.00 H new ATOM 0 HD23 LEU D 13 2.342 4.314 11.274 1.00 10.00 H new ATOM 1408 N GLU D 14 2.824 1.035 14.450 1.00 10.00 N ATOM 1409 CA GLU D 14 4.043 0.729 15.191 1.00 10.00 C ATOM 1410 C GLU D 14 3.972 -0.654 15.858 1.00 10.00 C ATOM 1411 O GLU D 14 4.810 -1.511 15.592 1.00 10.00 O ATOM 1412 CB GLU D 14 4.312 1.844 16.212 1.00 10.00 C ATOM 1413 CG GLU D 14 4.722 3.167 15.542 1.00 10.00 C ATOM 1414 CD GLU D 14 6.041 3.060 14.780 1.00 10.00 C ATOM 1415 OE1 GLU D 14 7.079 2.912 15.464 1.00 10.00 O ATOM 1416 OE2 GLU D 14 5.986 3.122 13.534 1.00 10.00 O ATOM 0 H GLU D 14 2.372 1.900 14.746 1.00 10.00 H new ATOM 0 HA GLU D 14 4.878 0.686 14.492 1.00 10.00 H new ATOM 0 HB2 GLU D 14 3.417 2.006 16.813 1.00 10.00 H new ATOM 0 HB3 GLU D 14 5.100 1.526 16.894 1.00 10.00 H new ATOM 0 HG2 GLU D 14 3.935 3.480 14.856 1.00 10.00 H new ATOM 0 HG3 GLU D 14 4.809 3.943 16.303 1.00 10.00 H new ATOM 1423 N GLN D 15 2.973 -0.890 16.714 1.00 10.00 N ATOM 1424 CA GLN D 15 2.809 -2.161 17.419 1.00 10.00 C ATOM 1425 C GLN D 15 2.847 -3.360 16.464 1.00 10.00 C ATOM 1426 O GLN D 15 3.558 -4.337 16.717 1.00 10.00 O ATOM 1427 CB GLN D 15 1.514 -2.115 18.245 1.00 10.00 C ATOM 1428 CG GLN D 15 1.309 -3.348 19.144 1.00 10.00 C ATOM 1429 CD GLN D 15 0.534 -4.484 18.478 1.00 10.00 C ATOM 1430 OE1 GLN D 15 -0.685 -4.545 18.562 1.00 10.00 O ATOM 1431 NE2 GLN D 15 1.212 -5.415 17.824 1.00 10.00 N ATOM 0 H GLN D 15 2.254 -0.202 16.937 1.00 10.00 H new ATOM 0 HA GLN D 15 3.652 -2.301 18.096 1.00 10.00 H new ATOM 0 HB2 GLN D 15 1.522 -1.220 18.867 1.00 10.00 H new ATOM 0 HB3 GLN D 15 0.665 -2.025 17.568 1.00 10.00 H new ATOM 0 HG2 GLN D 15 2.284 -3.722 19.457 1.00 10.00 H new ATOM 0 HG3 GLN D 15 0.780 -3.042 20.047 1.00 10.00 H new ATOM 0 HE21 GLN D 15 2.228 -5.355 17.760 1.00 10.00 H new ATOM 0 HE22 GLN D 15 0.718 -6.192 17.385 1.00 10.00 H new ATOM 1440 N LEU D 16 2.065 -3.309 15.384 1.00 10.00 N ATOM 1441 CA LEU D 16 1.999 -4.384 14.405 1.00 10.00 C ATOM 1442 C LEU D 16 3.328 -4.530 13.653 1.00 10.00 C ATOM 1443 O LEU D 16 3.844 -5.639 13.540 1.00 10.00 O ATOM 1444 CB LEU D 16 0.802 -4.167 13.470 1.00 10.00 C ATOM 1445 CG LEU D 16 0.631 -5.290 12.433 1.00 10.00 C ATOM 1446 CD1 LEU D 16 0.498 -6.679 13.072 1.00 10.00 C ATOM 1447 CD2 LEU D 16 -0.623 -5.026 11.595 1.00 10.00 C ATOM 0 H LEU D 16 1.460 -2.517 15.167 1.00 10.00 H new ATOM 0 HA LEU D 16 1.840 -5.331 14.920 1.00 10.00 H new ATOM 0 HB2 LEU D 16 -0.107 -4.091 14.066 1.00 10.00 H new ATOM 0 HB3 LEU D 16 0.923 -3.217 12.950 1.00 10.00 H new ATOM 0 HG LEU D 16 1.531 -5.287 11.818 1.00 10.00 H new ATOM 0 HD11 LEU D 16 0.380 -7.429 12.290 1.00 10.00 H new ATOM 0 HD12 LEU D 16 1.393 -6.899 13.654 1.00 10.00 H new ATOM 0 HD13 LEU D 16 -0.374 -6.697 13.726 1.00 10.00 H new ATOM 0 HD21 LEU D 16 -0.744 -5.822 10.860 1.00 10.00 H new ATOM 0 HD22 LEU D 16 -1.497 -4.998 12.246 1.00 10.00 H new ATOM 0 HD23 LEU D 16 -0.523 -4.070 11.081 1.00 10.00 H new ATOM 1459 N HIS D 17 3.917 -3.429 13.173 1.00 10.00 N ATOM 1460 CA HIS D 17 5.231 -3.465 12.530 1.00 10.00 C ATOM 1461 C HIS D 17 6.298 -4.092 13.439 1.00 10.00 C ATOM 1462 O HIS D 17 7.099 -4.903 12.975 1.00 10.00 O ATOM 1463 CB HIS D 17 5.639 -2.055 12.082 1.00 10.00 C ATOM 1464 CG HIS D 17 6.851 -2.019 11.183 1.00 10.00 C ATOM 1465 ND1 HIS D 17 7.795 -3.013 11.027 1.00 10.00 N ATOM 1466 CD2 HIS D 17 7.228 -0.967 10.392 1.00 10.00 C ATOM 1467 CE1 HIS D 17 8.722 -2.561 10.168 1.00 10.00 C ATOM 1468 NE2 HIS D 17 8.421 -1.320 9.756 1.00 10.00 N ATOM 0 H HIS D 17 3.500 -2.499 13.219 1.00 10.00 H new ATOM 0 HA HIS D 17 5.156 -4.102 11.649 1.00 10.00 H new ATOM 0 HB2 HIS D 17 4.800 -1.594 11.561 1.00 10.00 H new ATOM 0 HB3 HIS D 17 5.837 -1.448 12.965 1.00 10.00 H new ATOM 0 HD1 HIS D 17 7.789 -3.926 11.482 1.00 10.00 H new ATOM 0 HD2 HIS D 17 6.699 -0.032 10.280 1.00 10.00 H new ATOM 0 HE1 HIS D 17 9.591 -3.119 9.852 1.00 10.00 H new ATOM 1476 N ARG D 18 6.323 -3.722 14.721 1.00 10.00 N ATOM 1477 CA ARG D 18 7.244 -4.277 15.712 1.00 10.00 C ATOM 1478 C ARG D 18 6.980 -5.773 15.945 1.00 10.00 C ATOM 1479 O ARG D 18 7.905 -6.587 15.896 1.00 10.00 O ATOM 1480 CB ARG D 18 7.137 -3.469 17.013 1.00 10.00 C ATOM 1481 CG ARG D 18 7.665 -2.039 16.826 1.00 10.00 C ATOM 1482 CD ARG D 18 7.301 -1.168 18.031 1.00 10.00 C ATOM 1483 NE ARG D 18 7.522 0.254 17.727 1.00 10.00 N ATOM 1484 CZ ARG D 18 7.451 1.260 18.604 1.00 10.00 C ATOM 1485 NH1 ARG D 18 7.248 1.030 19.898 1.00 10.00 N ATOM 1486 NH2 ARG D 18 7.575 2.511 18.174 1.00 10.00 N ATOM 0 H ARG D 18 5.693 -3.017 15.105 1.00 10.00 H new ATOM 0 HA ARG D 18 8.264 -4.198 15.336 1.00 10.00 H new ATOM 0 HB2 ARG D 18 6.097 -3.436 17.338 1.00 10.00 H new ATOM 0 HB3 ARG D 18 7.702 -3.967 17.801 1.00 10.00 H new ATOM 0 HG2 ARG D 18 8.747 -2.059 16.699 1.00 10.00 H new ATOM 0 HG3 ARG D 18 7.245 -1.606 15.918 1.00 10.00 H new ATOM 0 HD2 ARG D 18 6.258 -1.330 18.302 1.00 10.00 H new ATOM 0 HD3 ARG D 18 7.902 -1.459 18.892 1.00 10.00 H new ATOM 0 HE ARG D 18 7.749 0.493 16.762 1.00 10.00 H new ATOM 0 HH11 ARG D 18 7.144 0.073 20.236 1.00 10.00 H new ATOM 0 HH12 ARG D 18 7.197 1.810 20.553 1.00 10.00 H new ATOM 0 HH21 ARG D 18 7.723 2.697 17.182 1.00 10.00 H new ATOM 0 HH22 ARG D 18 7.522 3.285 18.836 1.00 10.00 H new ATOM 1500 N LYS D 19 5.720 -6.155 16.177 1.00 10.00 N ATOM 1501 CA LYS D 19 5.333 -7.560 16.299 1.00 10.00 C ATOM 1502 C LYS D 19 5.786 -8.378 15.078 1.00 10.00 C ATOM 1503 O LYS D 19 6.427 -9.417 15.221 1.00 10.00 O ATOM 1504 CB LYS D 19 3.818 -7.648 16.528 1.00 10.00 C ATOM 1505 CG LYS D 19 3.359 -9.093 16.759 1.00 10.00 C ATOM 1506 CD LYS D 19 1.860 -9.111 17.086 1.00 10.00 C ATOM 1507 CE LYS D 19 1.335 -10.545 17.237 1.00 10.00 C ATOM 1508 NZ LYS D 19 1.954 -11.238 18.381 1.00 10.00 N ATOM 0 H LYS D 19 4.945 -5.501 16.285 1.00 10.00 H new ATOM 0 HA LYS D 19 5.839 -7.999 17.159 1.00 10.00 H new ATOM 0 HB2 LYS D 19 3.545 -7.038 17.389 1.00 10.00 H new ATOM 0 HB3 LYS D 19 3.296 -7.234 15.665 1.00 10.00 H new ATOM 0 HG2 LYS D 19 3.555 -9.694 15.871 1.00 10.00 H new ATOM 0 HG3 LYS D 19 3.925 -9.539 17.577 1.00 10.00 H new ATOM 0 HD2 LYS D 19 1.681 -8.558 18.008 1.00 10.00 H new ATOM 0 HD3 LYS D 19 1.308 -8.601 16.296 1.00 10.00 H new ATOM 0 HE2 LYS D 19 0.253 -10.524 17.367 1.00 10.00 H new ATOM 0 HE3 LYS D 19 1.535 -11.103 16.322 1.00 10.00 H new ATOM 0 HZ1 LYS D 19 1.490 -12.158 18.522 1.00 10.00 H new ATOM 0 HZ2 LYS D 19 2.966 -11.386 18.191 1.00 10.00 H new ATOM 0 HZ3 LYS D 19 1.844 -10.660 19.238 1.00 10.00 H new ATOM 1522 N LEU D 20 5.494 -7.889 13.871 1.00 10.00 N ATOM 1523 CA LEU D 20 5.975 -8.491 12.633 1.00 10.00 C ATOM 1524 C LEU D 20 7.508 -8.528 12.578 1.00 10.00 C ATOM 1525 O LEU D 20 8.076 -9.559 12.246 1.00 10.00 O ATOM 1526 CB LEU D 20 5.382 -7.762 11.422 1.00 10.00 C ATOM 1527 CG LEU D 20 3.870 -7.988 11.267 1.00 10.00 C ATOM 1528 CD1 LEU D 20 3.325 -6.938 10.298 1.00 10.00 C ATOM 1529 CD2 LEU D 20 3.549 -9.388 10.727 1.00 10.00 C ATOM 0 H LEU D 20 4.915 -7.061 13.728 1.00 10.00 H new ATOM 0 HA LEU D 20 5.637 -9.527 12.605 1.00 10.00 H new ATOM 0 HB2 LEU D 20 5.576 -6.694 11.517 1.00 10.00 H new ATOM 0 HB3 LEU D 20 5.889 -8.099 10.518 1.00 10.00 H new ATOM 0 HG LEU D 20 3.406 -7.901 12.249 1.00 10.00 H new ATOM 0 HD11 LEU D 20 2.252 -7.080 10.173 1.00 10.00 H new ATOM 0 HD12 LEU D 20 3.515 -5.942 10.697 1.00 10.00 H new ATOM 0 HD13 LEU D 20 3.819 -7.043 9.332 1.00 10.00 H new ATOM 0 HD21 LEU D 20 2.469 -9.503 10.634 1.00 10.00 H new ATOM 0 HD22 LEU D 20 4.013 -9.516 9.749 1.00 10.00 H new ATOM 0 HD23 LEU D 20 3.936 -10.141 11.414 1.00 10.00 H new ATOM 1541 N LYS D 21 8.211 -7.449 12.933 1.00 10.00 N ATOM 1542 CA LYS D 21 9.675 -7.458 12.975 1.00 10.00 C ATOM 1543 C LYS D 21 10.209 -8.589 13.868 1.00 10.00 C ATOM 1544 O LYS D 21 11.127 -9.311 13.481 1.00 10.00 O ATOM 1545 CB LYS D 21 10.196 -6.075 13.391 1.00 10.00 C ATOM 1546 CG LYS D 21 11.728 -5.987 13.461 1.00 10.00 C ATOM 1547 CD LYS D 21 12.391 -6.303 12.110 1.00 10.00 C ATOM 1548 CE LYS D 21 13.898 -6.026 12.152 1.00 10.00 C ATOM 1549 NZ LYS D 21 14.589 -6.928 13.091 1.00 10.00 N ATOM 0 H LYS D 21 7.789 -6.558 13.195 1.00 10.00 H new ATOM 0 HA LYS D 21 10.055 -7.666 11.975 1.00 10.00 H new ATOM 0 HB2 LYS D 21 9.830 -5.331 12.683 1.00 10.00 H new ATOM 0 HB3 LYS D 21 9.781 -5.819 14.366 1.00 10.00 H new ATOM 0 HG2 LYS D 21 12.018 -4.986 13.781 1.00 10.00 H new ATOM 0 HG3 LYS D 21 12.096 -6.682 14.216 1.00 10.00 H new ATOM 0 HD2 LYS D 21 12.218 -7.348 11.853 1.00 10.00 H new ATOM 0 HD3 LYS D 21 11.930 -5.702 11.327 1.00 10.00 H new ATOM 0 HE2 LYS D 21 14.319 -6.147 11.154 1.00 10.00 H new ATOM 0 HE3 LYS D 21 14.070 -4.991 12.447 1.00 10.00 H new ATOM 0 HZ1 LYS D 21 15.614 -6.759 13.044 1.00 10.00 H new ATOM 0 HZ2 LYS D 21 14.252 -6.747 14.058 1.00 10.00 H new ATOM 0 HZ3 LYS D 21 14.389 -7.916 12.834 1.00 10.00 H new ATOM 1563 N ASN D 22 9.593 -8.795 15.037 1.00 10.00 N ATOM 1564 CA ASN D 22 9.924 -9.916 15.922 1.00 10.00 C ATOM 1565 C ASN D 22 9.740 -11.305 15.276 1.00 10.00 C ATOM 1566 O ASN D 22 10.338 -12.269 15.749 1.00 10.00 O ATOM 1567 CB ASN D 22 9.165 -9.797 17.251 1.00 10.00 C ATOM 1568 CG ASN D 22 9.808 -8.777 18.184 1.00 10.00 C ATOM 1569 OD1 ASN D 22 10.542 -9.132 19.095 1.00 10.00 O ATOM 1570 ND2 ASN D 22 9.551 -7.492 17.985 1.00 10.00 N ATOM 0 H ASN D 22 8.853 -8.191 15.395 1.00 10.00 H new ATOM 0 HA ASN D 22 10.993 -9.842 16.121 1.00 10.00 H new ATOM 0 HB2 ASN D 22 8.132 -9.509 17.055 1.00 10.00 H new ATOM 0 HB3 ASN D 22 9.137 -10.770 17.741 1.00 10.00 H new ATOM 0 HD21 ASN D 22 9.967 -6.788 18.595 1.00 10.00 H new ATOM 0 HD22 ASN D 22 8.937 -7.207 17.222 1.00 10.00 H new