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 -69:sc= 1.55 USER MOD Set 1.2: D 17 HIS : no HE2:sc= 1.02 K(o=3.6,f=-5.2!) USER MOD Set 1.3: D 21 LYS NZ :NH3+ -165:sc= 1.01 (180deg=0) USER MOD Set 2.1: A 15 THR OG1 : rot -71:sc= 1.05 USER MOD Set 2.2: B 17 HIS : no HE2:sc= 0.939 K(o=2,f=-3.4!) 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+ -176:sc= 0 (180deg=-0.0266) 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+ -141:sc= -0.0793 (180deg=-0.74) USER MOD Single : B 12 TYR OH : rot 180:sc= 1.06 USER MOD Single : B 15 GLN : amide:sc= -0.389 X(o=-0.39,f=0) USER MOD Single : B 19 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.062) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= 1.42 K(o=1.4,f=-5.4!) USER MOD Single : C 10 THR OG1 : rot 180:sc= 0.00851 USER MOD Single : C 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.0519) 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 180:sc= 0 USER MOD Single : D 15 GLN : amide:sc= 2.73 K(o=2.7,f=-6.5!) USER MOD Single : D 19 LYS NZ :NH3+ -169:sc= -0.221 (180deg=-0.371) USER MOD Single : D 22 ASN : amide:sc= 1.14 K(o=1.1,f=-0.00012) USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 6 -3.349 6.276 6.707 1.00 10.00 N ATOM 88 CA PRO A 6 -4.618 6.308 5.991 1.00 10.00 C ATOM 89 C PRO A 6 -5.625 5.305 6.578 1.00 10.00 C ATOM 90 O PRO A 6 -5.220 4.216 6.986 1.00 10.00 O ATOM 91 CB PRO A 6 -4.259 5.968 4.541 1.00 10.00 C ATOM 92 CG PRO A 6 -2.999 5.114 4.676 1.00 10.00 C ATOM 93 CD PRO A 6 -2.286 5.740 5.872 1.00 10.00 C ATOM 0 HA PRO A 6 -5.106 7.279 6.071 1.00 10.00 H new ATOM 0 HB2 PRO A 6 -5.062 5.422 4.046 1.00 10.00 H new ATOM 0 HB3 PRO A 6 -4.074 6.866 3.952 1.00 10.00 H new ATOM 0 HG2 PRO A 6 -3.239 4.066 4.853 1.00 10.00 H new ATOM 0 HG3 PRO A 6 -2.386 5.153 3.775 1.00 10.00 H new ATOM 0 HD2 PRO A 6 -1.696 4.999 6.412 1.00 10.00 H new ATOM 0 HD3 PRO A 6 -1.599 6.525 5.555 1.00 10.00 H new ATOM 101 N PRO A 7 -6.937 5.605 6.585 1.00 10.00 N ATOM 102 CA PRO A 7 -7.982 4.612 6.846 1.00 10.00 C ATOM 103 C PRO A 7 -7.775 3.342 6.009 1.00 10.00 C ATOM 104 O PRO A 7 -7.889 2.220 6.504 1.00 10.00 O ATOM 105 CB PRO A 7 -9.303 5.315 6.509 1.00 10.00 C ATOM 106 CG PRO A 7 -8.978 6.789 6.748 1.00 10.00 C ATOM 107 CD PRO A 7 -7.529 6.896 6.279 1.00 10.00 C ATOM 0 HA PRO A 7 -7.968 4.273 7.882 1.00 10.00 H new ATOM 0 HB2 PRO A 7 -9.607 5.131 5.479 1.00 10.00 H new ATOM 0 HB3 PRO A 7 -10.117 4.972 7.148 1.00 10.00 H new ATOM 0 HG2 PRO A 7 -9.637 7.446 6.180 1.00 10.00 H new ATOM 0 HG3 PRO A 7 -9.085 7.062 7.798 1.00 10.00 H new ATOM 0 HD2 PRO A 7 -7.475 7.112 5.212 1.00 10.00 H new ATOM 0 HD3 PRO A 7 -7.006 7.702 6.794 1.00 10.00 H new ATOM 115 N GLY A 8 -7.401 3.545 4.741 1.00 10.00 N ATOM 116 CA GLY A 8 -6.974 2.508 3.809 1.00 10.00 C ATOM 117 C GLY A 8 -5.992 1.492 4.405 1.00 10.00 C ATOM 118 O GLY A 8 -6.083 0.311 4.089 1.00 10.00 O ATOM 0 H GLY A 8 -7.389 4.476 4.324 1.00 10.00 H new ATOM 0 HA2 GLY A 8 -7.854 1.976 3.447 1.00 10.00 H new ATOM 0 HA3 GLY A 8 -6.509 2.982 2.944 1.00 10.00 H new ATOM 122 N PHE A 9 -5.058 1.915 5.267 1.00 10.00 N ATOM 123 CA PHE A 9 -4.136 0.990 5.929 1.00 10.00 C ATOM 124 C PHE A 9 -4.885 0.049 6.888 1.00 10.00 C ATOM 125 O PHE A 9 -4.746 -1.173 6.810 1.00 10.00 O ATOM 126 CB PHE A 9 -3.015 1.772 6.631 1.00 10.00 C ATOM 127 CG PHE A 9 -2.360 1.018 7.765 1.00 10.00 C ATOM 128 CD1 PHE A 9 -1.696 -0.190 7.498 1.00 10.00 C ATOM 129 CD2 PHE A 9 -2.611 1.399 9.096 1.00 10.00 C ATOM 130 CE1 PHE A 9 -1.267 -1.002 8.558 1.00 10.00 C ATOM 131 CE2 PHE A 9 -2.152 0.603 10.157 1.00 10.00 C ATOM 132 CZ PHE A 9 -1.501 -0.613 9.888 1.00 10.00 C ATOM 0 H PHE A 9 -4.923 2.894 5.521 1.00 10.00 H new ATOM 0 HA PHE A 9 -3.671 0.355 5.175 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -2.254 2.036 5.896 1.00 10.00 H new ATOM 0 HB3 PHE A 9 -3.423 2.706 7.017 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -1.516 -0.494 6.477 1.00 10.00 H new ATOM 0 HD2 PHE A 9 -3.159 2.307 9.302 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -0.755 -1.930 8.351 1.00 10.00 H new ATOM 0 HE2 PHE A 9 -2.299 0.924 11.178 1.00 10.00 H new ATOM 0 HZ PHE A 9 -1.181 -1.247 10.702 1.00 10.00 H new ATOM 142 N THR A 10 -5.714 0.602 7.778 1.00 10.00 N ATOM 143 CA THR A 10 -6.548 -0.205 8.668 1.00 10.00 C ATOM 144 C THR A 10 -7.437 -1.160 7.861 1.00 10.00 C ATOM 145 O THR A 10 -7.506 -2.351 8.163 1.00 10.00 O ATOM 146 CB THR A 10 -7.370 0.702 9.596 1.00 10.00 C ATOM 147 OG1 THR A 10 -6.495 1.546 10.318 1.00 10.00 O ATOM 148 CG2 THR A 10 -8.171 -0.108 10.616 1.00 10.00 C ATOM 0 H THR A 10 -5.824 1.609 7.900 1.00 10.00 H new ATOM 0 HA THR A 10 -5.904 -0.820 9.296 1.00 10.00 H new ATOM 0 HB THR A 10 -8.057 1.272 8.971 1.00 10.00 H new ATOM 0 HG1 THR A 10 -7.016 2.128 10.910 1.00 10.00 H new ATOM 0 HG21 THR A 10 -8.739 0.570 11.254 1.00 10.00 H new ATOM 0 HG22 THR A 10 -8.857 -0.775 10.093 1.00 10.00 H new ATOM 0 HG23 THR A 10 -7.489 -0.697 11.229 1.00 10.00 H new ATOM 156 N ALA A 11 -8.077 -0.654 6.801 1.00 10.00 N ATOM 157 CA ALA A 11 -8.850 -1.477 5.873 1.00 10.00 C ATOM 158 C ALA A 11 -8.006 -2.598 5.236 1.00 10.00 C ATOM 159 O ALA A 11 -8.425 -3.754 5.210 1.00 10.00 O ATOM 160 CB ALA A 11 -9.498 -0.581 4.817 1.00 10.00 C ATOM 0 H ALA A 11 -8.072 0.338 6.565 1.00 10.00 H new ATOM 0 HA ALA A 11 -9.634 -1.983 6.436 1.00 10.00 H new ATOM 0 HB1 ALA A 11 -10.075 -1.194 4.124 1.00 10.00 H new ATOM 0 HB2 ALA A 11 -10.159 0.136 5.304 1.00 10.00 H new ATOM 0 HB3 ALA A 11 -8.723 -0.046 4.269 1.00 10.00 H new ATOM 166 N LEU A 12 -6.801 -2.276 4.751 1.00 10.00 N ATOM 167 CA LEU A 12 -5.835 -3.249 4.241 1.00 10.00 C ATOM 168 C LEU A 12 -5.584 -4.352 5.274 1.00 10.00 C ATOM 169 O LEU A 12 -5.768 -5.525 4.972 1.00 10.00 O ATOM 170 CB LEU A 12 -4.546 -2.536 3.796 1.00 10.00 C ATOM 171 CG LEU A 12 -3.596 -3.399 2.947 1.00 10.00 C ATOM 172 CD1 LEU A 12 -2.682 -2.478 2.131 1.00 10.00 C ATOM 173 CD2 LEU A 12 -2.708 -4.327 3.788 1.00 10.00 C ATOM 0 H LEU A 12 -6.466 -1.314 4.702 1.00 10.00 H new ATOM 0 HA LEU A 12 -6.245 -3.740 3.359 1.00 10.00 H new ATOM 0 HB2 LEU A 12 -4.817 -1.648 3.225 1.00 10.00 H new ATOM 0 HB3 LEU A 12 -4.011 -2.195 4.682 1.00 10.00 H new ATOM 0 HG LEU A 12 -4.222 -4.025 2.310 1.00 10.00 H new ATOM 0 HD11 LEU A 12 -2.005 -3.081 1.526 1.00 10.00 H new ATOM 0 HD12 LEU A 12 -3.288 -1.848 1.479 1.00 10.00 H new ATOM 0 HD13 LEU A 12 -2.102 -1.849 2.807 1.00 10.00 H new ATOM 0 HD21 LEU A 12 -2.062 -4.908 3.129 1.00 10.00 H new ATOM 0 HD22 LEU A 12 -2.095 -3.730 4.464 1.00 10.00 H new ATOM 0 HD23 LEU A 12 -3.336 -5.003 4.369 1.00 10.00 H new ATOM 185 N ILE A 13 -5.211 -4.000 6.508 1.00 10.00 N ATOM 186 CA ILE A 13 -5.004 -5.004 7.555 1.00 10.00 C ATOM 187 C ILE A 13 -6.269 -5.825 7.844 1.00 10.00 C ATOM 188 O ILE A 13 -6.194 -7.049 7.911 1.00 10.00 O ATOM 189 CB ILE A 13 -4.404 -4.367 8.820 1.00 10.00 C ATOM 190 CG1 ILE A 13 -3.015 -3.766 8.544 1.00 10.00 C ATOM 191 CG2 ILE A 13 -4.319 -5.380 9.973 1.00 10.00 C ATOM 192 CD1 ILE A 13 -1.954 -4.762 8.058 1.00 10.00 C ATOM 0 H ILE A 13 -5.048 -3.038 6.804 1.00 10.00 H new ATOM 0 HA ILE A 13 -4.274 -5.721 7.179 1.00 10.00 H new ATOM 0 HB ILE A 13 -5.075 -3.561 9.117 1.00 10.00 H new ATOM 0 HG12 ILE A 13 -3.120 -2.979 7.797 1.00 10.00 H new ATOM 0 HG13 ILE A 13 -2.654 -3.293 9.457 1.00 10.00 H new ATOM 0 HG21 ILE A 13 -3.891 -4.897 10.851 1.00 10.00 H new ATOM 0 HG22 ILE A 13 -5.318 -5.745 10.211 1.00 10.00 H new ATOM 0 HG23 ILE A 13 -3.688 -6.218 9.676 1.00 10.00 H new ATOM 0 HD11 ILE A 13 -1.012 -4.239 7.893 1.00 10.00 H new ATOM 0 HD12 ILE A 13 -1.811 -5.537 8.811 1.00 10.00 H new ATOM 0 HD13 ILE A 13 -2.284 -5.219 7.125 1.00 10.00 H new ATOM 204 N LYS A 14 -7.433 -5.189 7.999 1.00 10.00 N ATOM 205 CA LYS A 14 -8.694 -5.900 8.226 1.00 10.00 C ATOM 206 C LYS A 14 -8.966 -6.920 7.104 1.00 10.00 C ATOM 207 O LYS A 14 -9.129 -8.117 7.354 1.00 10.00 O ATOM 208 CB LYS A 14 -9.819 -4.862 8.389 1.00 10.00 C ATOM 209 CG LYS A 14 -11.102 -5.390 9.053 1.00 10.00 C ATOM 210 CD LYS A 14 -11.932 -6.402 8.244 1.00 10.00 C ATOM 211 CE LYS A 14 -12.393 -5.837 6.895 1.00 10.00 C ATOM 212 NZ LYS A 14 -13.212 -6.821 6.167 1.00 10.00 N ATOM 0 H LYS A 14 -7.528 -4.174 7.971 1.00 10.00 H new ATOM 0 HA LYS A 14 -8.639 -6.487 9.143 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -9.440 -4.028 8.979 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -10.073 -4.467 7.405 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -10.829 -5.854 10.001 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -11.739 -4.538 9.288 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -11.339 -7.301 8.074 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -12.804 -6.701 8.826 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -12.969 -4.926 7.055 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -11.525 -5.564 6.294 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -13.513 -6.417 5.257 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -12.652 -7.680 5.996 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -14.051 -7.061 6.733 1.00 10.00 H new ATOM 226 N THR A 15 -8.983 -6.453 5.852 1.00 10.00 N ATOM 227 CA THR A 15 -9.175 -7.313 4.683 1.00 10.00 C ATOM 228 C THR A 15 -8.107 -8.411 4.591 1.00 10.00 C ATOM 229 O THR A 15 -8.439 -9.559 4.320 1.00 10.00 O ATOM 230 CB THR A 15 -9.243 -6.496 3.384 1.00 10.00 C ATOM 231 OG1 THR A 15 -8.095 -5.697 3.225 1.00 10.00 O ATOM 232 CG2 THR A 15 -10.475 -5.592 3.335 1.00 10.00 C ATOM 0 H THR A 15 -8.864 -5.467 5.621 1.00 10.00 H new ATOM 0 HA THR A 15 -10.137 -7.809 4.815 1.00 10.00 H new ATOM 0 HB THR A 15 -9.305 -7.222 2.573 1.00 10.00 H new ATOM 0 HG1 THR A 15 -8.117 -4.961 3.872 1.00 10.00 H new ATOM 0 HG21 THR A 15 -10.480 -5.034 2.399 1.00 10.00 H new ATOM 0 HG22 THR A 15 -11.376 -6.202 3.399 1.00 10.00 H new ATOM 0 HG23 THR A 15 -10.448 -4.895 4.172 1.00 10.00 H new ATOM 240 N LEU A 16 -6.837 -8.091 4.856 1.00 10.00 N ATOM 241 CA LEU A 16 -5.748 -9.065 4.921 1.00 10.00 C ATOM 242 C LEU A 16 -6.014 -10.160 5.960 1.00 10.00 C ATOM 243 O LEU A 16 -5.944 -11.344 5.640 1.00 10.00 O ATOM 244 CB LEU A 16 -4.421 -8.340 5.187 1.00 10.00 C ATOM 245 CG LEU A 16 -3.188 -9.253 5.083 1.00 10.00 C ATOM 246 CD1 LEU A 16 -2.028 -8.468 4.461 1.00 10.00 C ATOM 247 CD2 LEU A 16 -2.755 -9.765 6.463 1.00 10.00 C ATOM 0 H LEU A 16 -6.534 -7.133 5.034 1.00 10.00 H new ATOM 0 HA LEU A 16 -5.684 -9.571 3.958 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -4.316 -7.520 4.477 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -4.452 -7.897 6.183 1.00 10.00 H new ATOM 0 HG LEU A 16 -3.451 -10.109 4.461 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.152 -9.112 4.386 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -2.313 -8.125 3.466 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -1.793 -7.608 5.088 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -1.881 -10.407 6.355 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.506 -8.919 7.103 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -3.570 -10.333 6.912 1.00 10.00 H new ATOM 259 N ARG A 17 -6.326 -9.771 7.199 1.00 10.00 N ATOM 260 CA ARG A 17 -6.673 -10.699 8.272 1.00 10.00 C ATOM 261 C ARG A 17 -7.828 -11.615 7.846 1.00 10.00 C ATOM 262 O ARG A 17 -7.734 -12.833 7.982 1.00 10.00 O ATOM 263 CB ARG A 17 -7.025 -9.920 9.550 1.00 10.00 C ATOM 264 CG ARG A 17 -5.837 -9.165 10.171 1.00 10.00 C ATOM 265 CD ARG A 17 -5.090 -9.995 11.223 1.00 10.00 C ATOM 266 NE ARG A 17 -4.456 -11.182 10.632 1.00 10.00 N ATOM 267 CZ ARG A 17 -3.333 -11.203 9.909 1.00 10.00 C ATOM 268 NH1 ARG A 17 -2.607 -10.103 9.732 1.00 10.00 N ATOM 269 NH2 ARG A 17 -2.941 -12.344 9.351 1.00 10.00 N ATOM 0 H ARG A 17 -6.344 -8.792 7.486 1.00 10.00 H new ATOM 0 HA ARG A 17 -5.810 -11.331 8.482 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -7.816 -9.206 9.321 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -7.426 -10.615 10.288 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -5.143 -8.877 9.382 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -6.197 -8.244 10.630 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -4.330 -9.377 11.701 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -5.786 -10.305 12.003 1.00 10.00 H new ATOM 0 HE ARG A 17 -4.919 -12.077 10.789 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -2.905 -9.222 10.152 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -1.752 -10.140 9.176 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -3.496 -13.190 9.477 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -2.085 -12.373 8.797 1.00 10.00 H new ATOM 283 N LYS A 18 -8.902 -11.035 7.295 1.00 10.00 N ATOM 284 CA LYS A 18 -10.031 -11.809 6.785 1.00 10.00 C ATOM 285 C LYS A 18 -9.602 -12.787 5.674 1.00 10.00 C ATOM 286 O LYS A 18 -9.821 -13.989 5.788 1.00 10.00 O ATOM 287 CB LYS A 18 -11.150 -10.862 6.327 1.00 10.00 C ATOM 288 CG LYS A 18 -12.489 -11.607 6.277 1.00 10.00 C ATOM 289 CD LYS A 18 -13.559 -10.751 5.591 1.00 10.00 C ATOM 290 CE LYS A 18 -14.939 -11.416 5.667 1.00 10.00 C ATOM 291 NZ LYS A 18 -14.981 -12.685 4.919 1.00 10.00 N ATOM 0 H LYS A 18 -9.009 -10.026 7.193 1.00 10.00 H new ATOM 0 HA LYS A 18 -10.421 -12.427 7.594 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -11.222 -10.016 7.010 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -10.914 -10.458 5.343 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -12.368 -12.547 5.739 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -12.810 -11.858 7.288 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -13.600 -9.769 6.063 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -13.287 -10.592 4.548 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -15.196 -11.601 6.710 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -15.692 -10.736 5.269 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -15.948 -13.068 4.939 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -14.695 -12.517 3.933 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -14.329 -13.367 5.356 1.00 10.00 H new ATOM 305 N CYS A 19 -8.948 -12.285 4.620 1.00 10.00 N ATOM 306 CA CYS A 19 -8.413 -13.070 3.503 1.00 10.00 C ATOM 307 C CYS A 19 -7.544 -14.244 3.979 1.00 10.00 C ATOM 308 O CYS A 19 -7.698 -15.374 3.520 1.00 10.00 O ATOM 309 CB CYS A 19 -7.620 -12.134 2.585 1.00 10.00 C ATOM 310 SG CYS A 19 -6.862 -12.921 1.145 1.00 10.00 S ATOM 0 H CYS A 19 -8.771 -11.286 4.519 1.00 10.00 H new ATOM 0 HA CYS A 19 -9.245 -13.513 2.956 1.00 10.00 H new ATOM 0 HB2 CYS A 19 -8.285 -11.343 2.238 1.00 10.00 H new ATOM 0 HB3 CYS A 19 -6.836 -11.656 3.172 1.00 10.00 H new ATOM 0 HG CYS A 19 -6.223 -12.028 0.448 1.00 10.00 H new ATOM 315 N LYS A 20 -6.645 -13.979 4.932 1.00 10.00 N ATOM 316 CA LYS A 20 -5.776 -14.972 5.557 1.00 10.00 C ATOM 317 C LYS A 20 -6.515 -15.873 6.572 1.00 10.00 C ATOM 318 O LYS A 20 -5.914 -16.792 7.128 1.00 10.00 O ATOM 319 CB LYS A 20 -4.595 -14.209 6.186 1.00 10.00 C ATOM 320 CG LYS A 20 -3.466 -15.066 6.780 1.00 10.00 C ATOM 321 CD LYS A 20 -2.876 -16.056 5.768 1.00 10.00 C ATOM 322 CE LYS A 20 -1.659 -16.758 6.375 1.00 10.00 C ATOM 323 NZ LYS A 20 -1.072 -17.718 5.423 1.00 10.00 N ATOM 0 H LYS A 20 -6.500 -13.038 5.298 1.00 10.00 H new ATOM 0 HA LYS A 20 -5.414 -15.672 4.804 1.00 10.00 H new ATOM 0 HB2 LYS A 20 -4.165 -13.558 5.425 1.00 10.00 H new ATOM 0 HB3 LYS A 20 -4.985 -13.565 6.974 1.00 10.00 H new ATOM 0 HG2 LYS A 20 -2.674 -14.412 7.146 1.00 10.00 H new ATOM 0 HG3 LYS A 20 -3.848 -15.617 7.640 1.00 10.00 H new ATOM 0 HD2 LYS A 20 -3.628 -16.793 5.486 1.00 10.00 H new ATOM 0 HD3 LYS A 20 -2.587 -15.530 4.858 1.00 10.00 H new ATOM 0 HE2 LYS A 20 -0.911 -16.017 6.657 1.00 10.00 H new ATOM 0 HE3 LYS A 20 -1.952 -17.278 7.287 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 -0.249 -18.180 5.859 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 -1.781 -18.437 5.174 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 -0.772 -17.215 4.564 1.00 10.00 H new ATOM 337 N ILE A 21 -7.807 -15.628 6.832 1.00 10.00 N ATOM 338 CA ILE A 21 -8.647 -16.299 7.826 1.00 10.00 C ATOM 339 C ILE A 21 -8.227 -15.933 9.258 1.00 10.00 C ATOM 340 O ILE A 21 -9.020 -15.379 10.017 1.00 10.00 O ATOM 341 CB ILE A 21 -8.735 -17.824 7.590 1.00 10.00 C ATOM 342 CG1 ILE A 21 -9.047 -18.200 6.128 1.00 10.00 C ATOM 343 CG2 ILE A 21 -9.772 -18.447 8.537 1.00 10.00 C ATOM 344 CD1 ILE A 21 -10.360 -17.625 5.581 1.00 10.00 C ATOM 0 H ILE A 21 -8.322 -14.911 6.321 1.00 10.00 H new ATOM 0 HA ILE A 21 -9.663 -15.926 7.697 1.00 10.00 H new ATOM 0 HB ILE A 21 -7.747 -18.230 7.806 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -8.227 -17.858 5.497 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -9.081 -19.286 6.046 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -9.825 -19.521 8.362 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -9.479 -18.262 9.570 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -10.749 -18.000 8.352 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -10.494 -17.943 4.547 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -11.194 -17.987 6.182 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -10.326 -16.536 5.624 1.00 10.00 H new ATOM 356 N ILE A 22 -6.978 -16.232 9.623 1.00 10.00 N ATOM 357 CA ILE A 22 -6.356 -15.788 10.870 1.00 10.00 C ATOM 358 C ILE A 22 -5.662 -14.429 10.678 1.00 10.00 C ATOM 359 O ILE A 22 -4.895 -14.299 9.697 1.00 10.00 O ATOM 360 CB ILE A 22 -5.411 -16.880 11.416 1.00 10.00 C ATOM 361 CG1 ILE A 22 -4.930 -16.495 12.827 1.00 10.00 C ATOM 362 CG2 ILE A 22 -4.220 -17.170 10.488 1.00 10.00 C ATOM 363 CD1 ILE A 22 -4.188 -17.635 13.530 1.00 10.00 C ATOM 364 OXT ILE A 22 -5.896 -13.536 11.522 1.00 10.00 O ATOM 0 H ILE A 22 -6.359 -16.802 9.047 1.00 10.00 H new ATOM 0 HA ILE A 22 -7.128 -15.634 11.624 1.00 10.00 H new ATOM 0 HB ILE A 22 -5.983 -17.806 11.465 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -4.274 -15.628 12.758 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -5.788 -16.199 13.431 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -3.595 -17.946 10.930 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -4.588 -17.508 9.519 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -3.632 -16.262 10.356 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -3.872 -17.307 14.520 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -4.850 -18.495 13.627 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -3.313 -17.915 12.944 1.00 10.00 H new ATOM 465 N ILE B 7 3.069 8.929 -4.130 1.00 10.00 N ATOM 466 CA ILE B 7 1.904 8.596 -4.956 1.00 10.00 C ATOM 467 C ILE B 7 1.893 7.106 -5.340 1.00 10.00 C ATOM 468 O ILE B 7 0.869 6.436 -5.211 1.00 10.00 O ATOM 469 CB ILE B 7 1.717 9.545 -6.156 1.00 10.00 C ATOM 470 CG1 ILE B 7 2.850 9.461 -7.188 1.00 10.00 C ATOM 471 CG2 ILE B 7 1.541 10.983 -5.655 1.00 10.00 C ATOM 472 CD1 ILE B 7 2.642 10.393 -8.384 1.00 10.00 C ATOM 0 HA ILE B 7 1.021 8.762 -4.339 1.00 10.00 H new ATOM 0 HB ILE B 7 0.817 9.222 -6.679 1.00 10.00 H new ATOM 0 HG12 ILE B 7 3.794 9.707 -6.703 1.00 10.00 H new ATOM 0 HG13 ILE B 7 2.933 8.434 -7.545 1.00 10.00 H new ATOM 0 HG21 ILE B 7 1.409 11.651 -6.506 1.00 10.00 H new ATOM 0 HG22 ILE B 7 0.664 11.039 -5.010 1.00 10.00 H new ATOM 0 HG23 ILE B 7 2.425 11.283 -5.092 1.00 10.00 H new ATOM 0 HD11 ILE B 7 3.476 10.287 -9.077 1.00 10.00 H new ATOM 0 HD12 ILE B 7 1.713 10.132 -8.891 1.00 10.00 H new ATOM 0 HD13 ILE B 7 2.588 11.425 -8.036 1.00 10.00 H new ATOM 484 N GLU B 8 3.043 6.558 -5.745 1.00 10.00 N ATOM 485 CA GLU B 8 3.181 5.135 -6.022 1.00 10.00 C ATOM 486 C GLU B 8 2.884 4.283 -4.779 1.00 10.00 C ATOM 487 O GLU B 8 2.131 3.318 -4.865 1.00 10.00 O ATOM 488 CB GLU B 8 4.569 4.855 -6.614 1.00 10.00 C ATOM 489 CG GLU B 8 4.714 3.394 -7.076 1.00 10.00 C ATOM 490 CD GLU B 8 3.652 2.981 -8.094 1.00 10.00 C ATOM 491 OE1 GLU B 8 3.522 3.704 -9.106 1.00 10.00 O ATOM 492 OE2 GLU B 8 2.972 1.965 -7.834 1.00 10.00 O ATOM 0 H GLU B 8 3.900 7.092 -5.888 1.00 10.00 H new ATOM 0 HA GLU B 8 2.437 4.845 -6.763 1.00 10.00 H new ATOM 0 HB2 GLU B 8 4.744 5.521 -7.458 1.00 10.00 H new ATOM 0 HB3 GLU B 8 5.333 5.077 -5.869 1.00 10.00 H new ATOM 0 HG2 GLU B 8 5.702 3.254 -7.513 1.00 10.00 H new ATOM 0 HG3 GLU B 8 4.653 2.737 -6.209 1.00 10.00 H new ATOM 499 N ALA B 9 3.442 4.638 -3.617 1.00 10.00 N ATOM 500 CA ALA B 9 3.165 3.938 -2.364 1.00 10.00 C ATOM 501 C ALA B 9 1.661 3.868 -2.050 1.00 10.00 C ATOM 502 O ALA B 9 1.142 2.784 -1.787 1.00 10.00 O ATOM 503 CB ALA B 9 3.962 4.574 -1.222 1.00 10.00 C ATOM 0 H ALA B 9 4.095 5.416 -3.521 1.00 10.00 H new ATOM 0 HA ALA B 9 3.491 2.904 -2.477 1.00 10.00 H new ATOM 0 HB1 ALA B 9 3.750 4.046 -0.292 1.00 10.00 H new ATOM 0 HB2 ALA B 9 5.028 4.508 -1.441 1.00 10.00 H new ATOM 0 HB3 ALA B 9 3.677 5.621 -1.118 1.00 10.00 H new ATOM 509 N ARG B 10 0.940 4.997 -2.094 1.00 10.00 N ATOM 510 CA ARG B 10 -0.508 4.969 -1.853 1.00 10.00 C ATOM 511 C ARG B 10 -1.296 4.254 -2.965 1.00 10.00 C ATOM 512 O ARG B 10 -2.250 3.536 -2.670 1.00 10.00 O ATOM 513 CB ARG B 10 -1.068 6.348 -1.488 1.00 10.00 C ATOM 514 CG ARG B 10 -1.023 7.380 -2.614 1.00 10.00 C ATOM 515 CD ARG B 10 -1.261 8.766 -2.010 1.00 10.00 C ATOM 516 NE ARG B 10 -1.322 9.812 -3.042 1.00 10.00 N ATOM 517 CZ ARG B 10 -1.450 11.118 -2.777 1.00 10.00 C ATOM 518 NH1 ARG B 10 -1.481 11.548 -1.518 1.00 10.00 N ATOM 519 NH2 ARG B 10 -1.537 11.990 -3.777 1.00 10.00 N ATOM 0 H ARG B 10 1.325 5.921 -2.290 1.00 10.00 H new ATOM 0 HA ARG B 10 -0.656 4.349 -0.969 1.00 10.00 H new ATOM 0 HB2 ARG B 10 -2.102 6.230 -1.164 1.00 10.00 H new ATOM 0 HB3 ARG B 10 -0.510 6.737 -0.636 1.00 10.00 H new ATOM 0 HG2 ARG B 10 -0.058 7.347 -3.120 1.00 10.00 H new ATOM 0 HG3 ARG B 10 -1.783 7.157 -3.363 1.00 10.00 H new ATOM 0 HD2 ARG B 10 -2.192 8.760 -1.444 1.00 10.00 H new ATOM 0 HD3 ARG B 10 -0.462 8.997 -1.306 1.00 10.00 H new ATOM 0 HE ARG B 10 -1.263 9.525 -4.019 1.00 10.00 H new ATOM 0 HH11 ARG B 10 -1.407 10.881 -0.749 1.00 10.00 H new ATOM 0 HH12 ARG B 10 -1.579 12.544 -1.322 1.00 10.00 H new ATOM 0 HH21 ARG B 10 -1.506 11.663 -4.743 1.00 10.00 H new ATOM 0 HH22 ARG B 10 -1.635 12.986 -3.578 1.00 10.00 H new ATOM 533 N LYS B 11 -0.895 4.381 -4.236 1.00 10.00 N ATOM 534 CA LYS B 11 -1.465 3.559 -5.309 1.00 10.00 C ATOM 535 C LYS B 11 -1.290 2.056 -5.028 1.00 10.00 C ATOM 536 O LYS B 11 -2.235 1.276 -5.156 1.00 10.00 O ATOM 537 CB LYS B 11 -0.835 3.927 -6.658 1.00 10.00 C ATOM 538 CG LYS B 11 -1.326 5.281 -7.181 1.00 10.00 C ATOM 539 CD LYS B 11 -0.449 5.833 -8.316 1.00 10.00 C ATOM 540 CE LYS B 11 -0.412 4.942 -9.566 1.00 10.00 C ATOM 541 NZ LYS B 11 0.586 3.861 -9.458 1.00 10.00 N ATOM 0 H LYS B 11 -0.182 5.042 -4.545 1.00 10.00 H new ATOM 0 HA LYS B 11 -2.534 3.766 -5.349 1.00 10.00 H new ATOM 0 HB2 LYS B 11 0.250 3.952 -6.555 1.00 10.00 H new ATOM 0 HB3 LYS B 11 -1.068 3.152 -7.388 1.00 10.00 H new ATOM 0 HG2 LYS B 11 -2.351 5.178 -7.537 1.00 10.00 H new ATOM 0 HG3 LYS B 11 -1.344 5.998 -6.360 1.00 10.00 H new ATOM 0 HD2 LYS B 11 -0.815 6.820 -8.597 1.00 10.00 H new ATOM 0 HD3 LYS B 11 0.568 5.964 -7.945 1.00 10.00 H new ATOM 0 HE2 LYS B 11 -1.398 4.507 -9.728 1.00 10.00 H new ATOM 0 HE3 LYS B 11 -0.187 5.555 -10.439 1.00 10.00 H new ATOM 0 HZ1 LYS B 11 1.054 3.728 -10.377 1.00 10.00 H new ATOM 0 HZ2 LYS B 11 1.296 4.114 -8.741 1.00 10.00 H new ATOM 0 HZ3 LYS B 11 0.112 2.978 -9.180 1.00 10.00 H new ATOM 555 N TYR B 12 -0.077 1.624 -4.673 1.00 10.00 N ATOM 556 CA TYR B 12 0.219 0.248 -4.278 1.00 10.00 C ATOM 557 C TYR B 12 -0.654 -0.187 -3.094 1.00 10.00 C ATOM 558 O TYR B 12 -1.327 -1.214 -3.172 1.00 10.00 O ATOM 559 CB TYR B 12 1.718 0.119 -3.971 1.00 10.00 C ATOM 560 CG TYR B 12 2.112 -1.167 -3.266 1.00 10.00 C ATOM 561 CD1 TYR B 12 2.075 -2.396 -3.952 1.00 10.00 C ATOM 562 CD2 TYR B 12 2.495 -1.136 -1.913 1.00 10.00 C ATOM 563 CE1 TYR B 12 2.446 -3.583 -3.292 1.00 10.00 C ATOM 564 CE2 TYR B 12 2.876 -2.321 -1.260 1.00 10.00 C ATOM 565 CZ TYR B 12 2.863 -3.540 -1.953 1.00 10.00 C ATOM 566 OH TYR B 12 3.247 -4.684 -1.318 1.00 10.00 O ATOM 0 H TYR B 12 0.741 2.234 -4.652 1.00 10.00 H new ATOM 0 HA TYR B 12 -0.021 -0.425 -5.101 1.00 10.00 H new ATOM 0 HB2 TYR B 12 2.274 0.190 -4.906 1.00 10.00 H new ATOM 0 HB3 TYR B 12 2.023 0.964 -3.354 1.00 10.00 H new ATOM 0 HD1 TYR B 12 1.762 -2.428 -4.985 1.00 10.00 H new ATOM 0 HD2 TYR B 12 2.496 -0.200 -1.375 1.00 10.00 H new ATOM 0 HE1 TYR B 12 2.410 -4.526 -3.816 1.00 10.00 H new ATOM 0 HE2 TYR B 12 3.179 -2.293 -0.224 1.00 10.00 H new ATOM 0 HH TYR B 12 3.507 -4.475 -0.396 1.00 10.00 H new ATOM 576 N LEU B 13 -0.675 0.610 -2.020 1.00 10.00 N ATOM 577 CA LEU B 13 -1.559 0.411 -0.872 1.00 10.00 C ATOM 578 C LEU B 13 -3.004 0.172 -1.329 1.00 10.00 C ATOM 579 O LEU B 13 -3.584 -0.862 -1.013 1.00 10.00 O ATOM 580 CB LEU B 13 -1.436 1.617 0.076 1.00 10.00 C ATOM 581 CG LEU B 13 -2.079 1.449 1.465 1.00 10.00 C ATOM 582 CD1 LEU B 13 -1.589 2.592 2.362 1.00 10.00 C ATOM 583 CD2 LEU B 13 -3.612 1.497 1.446 1.00 10.00 C ATOM 0 H LEU B 13 -0.067 1.424 -1.925 1.00 10.00 H new ATOM 0 HA LEU B 13 -1.258 -0.483 -0.326 1.00 10.00 H new ATOM 0 HB2 LEU B 13 -0.378 1.842 0.212 1.00 10.00 H new ATOM 0 HB3 LEU B 13 -1.886 2.483 -0.409 1.00 10.00 H new ATOM 0 HG LEU B 13 -1.788 0.465 1.831 1.00 10.00 H new ATOM 0 HD11 LEU B 13 -2.033 2.493 3.353 1.00 10.00 H new ATOM 0 HD12 LEU B 13 -0.503 2.550 2.445 1.00 10.00 H new ATOM 0 HD13 LEU B 13 -1.883 3.547 1.927 1.00 10.00 H new ATOM 0 HD21 LEU B 13 -3.993 1.372 2.460 1.00 10.00 H new ATOM 0 HD22 LEU B 13 -3.941 2.458 1.051 1.00 10.00 H new ATOM 0 HD23 LEU B 13 -3.993 0.695 0.814 1.00 10.00 H new ATOM 595 N GLU B 14 -3.584 1.104 -2.091 1.00 10.00 N ATOM 596 CA GLU B 14 -4.968 1.016 -2.543 1.00 10.00 C ATOM 597 C GLU B 14 -5.230 -0.233 -3.405 1.00 10.00 C ATOM 598 O GLU B 14 -6.192 -0.961 -3.166 1.00 10.00 O ATOM 599 CB GLU B 14 -5.344 2.318 -3.265 1.00 10.00 C ATOM 600 CG GLU B 14 -6.847 2.387 -3.589 1.00 10.00 C ATOM 601 CD GLU B 14 -7.722 2.365 -2.336 1.00 10.00 C ATOM 602 OE1 GLU B 14 -7.865 3.446 -1.725 1.00 10.00 O ATOM 603 OE2 GLU B 14 -8.220 1.267 -2.003 1.00 10.00 O ATOM 0 H GLU B 14 -3.101 1.943 -2.411 1.00 10.00 H new ATOM 0 HA GLU B 14 -5.613 0.898 -1.673 1.00 10.00 H new ATOM 0 HB2 GLU B 14 -5.068 3.170 -2.643 1.00 10.00 H new ATOM 0 HB3 GLU B 14 -4.770 2.399 -4.188 1.00 10.00 H new ATOM 0 HG2 GLU B 14 -7.051 3.296 -4.154 1.00 10.00 H new ATOM 0 HG3 GLU B 14 -7.115 1.547 -4.229 1.00 10.00 H new ATOM 610 N GLN B 15 -4.375 -0.498 -4.399 1.00 10.00 N ATOM 611 CA GLN B 15 -4.462 -1.708 -5.218 1.00 10.00 C ATOM 612 C GLN B 15 -4.438 -2.978 -4.352 1.00 10.00 C ATOM 613 O GLN B 15 -5.327 -3.826 -4.445 1.00 10.00 O ATOM 614 CB GLN B 15 -3.327 -1.715 -6.247 1.00 10.00 C ATOM 615 CG GLN B 15 -3.596 -0.699 -7.368 1.00 10.00 C ATOM 616 CD GLN B 15 -2.362 -0.478 -8.229 1.00 10.00 C ATOM 617 OE1 GLN B 15 -2.308 -0.863 -9.389 1.00 10.00 O ATOM 618 NE2 GLN B 15 -1.350 0.154 -7.656 1.00 10.00 N ATOM 0 H GLN B 15 -3.605 0.120 -4.656 1.00 10.00 H new ATOM 0 HA GLN B 15 -5.416 -1.703 -5.745 1.00 10.00 H new ATOM 0 HB2 GLN B 15 -2.384 -1.478 -5.755 1.00 10.00 H new ATOM 0 HB3 GLN B 15 -3.223 -2.713 -6.673 1.00 10.00 H new ATOM 0 HG2 GLN B 15 -4.417 -1.053 -7.991 1.00 10.00 H new ATOM 0 HG3 GLN B 15 -3.912 0.249 -6.933 1.00 10.00 H new ATOM 0 HE21 GLN B 15 -1.425 0.463 -6.687 1.00 10.00 H new ATOM 0 HE22 GLN B 15 -0.495 0.332 -8.184 1.00 10.00 H new ATOM 627 N LEU B 16 -3.423 -3.100 -3.493 1.00 10.00 N ATOM 628 CA LEU B 16 -3.265 -4.235 -2.592 1.00 10.00 C ATOM 629 C LEU B 16 -4.485 -4.395 -1.669 1.00 10.00 C ATOM 630 O LEU B 16 -5.064 -5.474 -1.588 1.00 10.00 O ATOM 631 CB LEU B 16 -1.937 -4.075 -1.839 1.00 10.00 C ATOM 632 CG LEU B 16 -1.586 -5.239 -0.901 1.00 10.00 C ATOM 633 CD1 LEU B 16 -1.637 -6.603 -1.602 1.00 10.00 C ATOM 634 CD2 LEU B 16 -0.172 -5.023 -0.356 1.00 10.00 C ATOM 0 H LEU B 16 -2.682 -2.404 -3.406 1.00 10.00 H new ATOM 0 HA LEU B 16 -3.221 -5.166 -3.157 1.00 10.00 H new ATOM 0 HB2 LEU B 16 -1.134 -3.958 -2.567 1.00 10.00 H new ATOM 0 HB3 LEU B 16 -1.974 -3.155 -1.256 1.00 10.00 H new ATOM 0 HG LEU B 16 -2.328 -5.250 -0.103 1.00 10.00 H new ATOM 0 HD11 LEU B 16 -1.380 -7.388 -0.890 1.00 10.00 H new ATOM 0 HD12 LEU B 16 -2.642 -6.777 -1.987 1.00 10.00 H new ATOM 0 HD13 LEU B 16 -0.925 -6.615 -2.428 1.00 10.00 H new ATOM 0 HD21 LEU B 16 0.090 -5.843 0.312 1.00 10.00 H new ATOM 0 HD22 LEU B 16 0.536 -4.990 -1.184 1.00 10.00 H new ATOM 0 HD23 LEU B 16 -0.133 -4.082 0.193 1.00 10.00 H new ATOM 646 N HIS B 17 -4.921 -3.310 -1.023 1.00 10.00 N ATOM 647 CA HIS B 17 -6.170 -3.245 -0.268 1.00 10.00 C ATOM 648 C HIS B 17 -7.360 -3.792 -1.070 1.00 10.00 C ATOM 649 O HIS B 17 -8.009 -4.740 -0.632 1.00 10.00 O ATOM 650 CB HIS B 17 -6.408 -1.799 0.191 1.00 10.00 C ATOM 651 CG HIS B 17 -7.817 -1.506 0.642 1.00 10.00 C ATOM 652 ND1 HIS B 17 -8.638 -0.543 0.099 1.00 10.00 N ATOM 653 CD2 HIS B 17 -8.548 -2.198 1.571 1.00 10.00 C ATOM 654 CE1 HIS B 17 -9.832 -0.642 0.705 1.00 10.00 C ATOM 655 NE2 HIS B 17 -9.830 -1.639 1.603 1.00 10.00 N ATOM 0 H HIS B 17 -4.401 -2.433 -1.012 1.00 10.00 H new ATOM 0 HA HIS B 17 -6.081 -3.886 0.609 1.00 10.00 H new ATOM 0 HB2 HIS B 17 -5.725 -1.575 1.010 1.00 10.00 H new ATOM 0 HB3 HIS B 17 -6.156 -1.126 -0.628 1.00 10.00 H new ATOM 0 HD1 HIS B 17 -8.385 0.124 -0.630 1.00 10.00 H new ATOM 0 HD2 HIS B 17 -8.198 -3.025 2.170 1.00 10.00 H new ATOM 0 HE1 HIS B 17 -10.679 -0.005 0.498 1.00 10.00 H new ATOM 663 N ARG B 18 -7.668 -3.217 -2.239 1.00 10.00 N ATOM 664 CA ARG B 18 -8.818 -3.692 -3.006 1.00 10.00 C ATOM 665 C ARG B 18 -8.671 -5.161 -3.436 1.00 10.00 C ATOM 666 O ARG B 18 -9.654 -5.894 -3.426 1.00 10.00 O ATOM 667 CB ARG B 18 -9.205 -2.748 -4.153 1.00 10.00 C ATOM 668 CG ARG B 18 -8.266 -2.788 -5.369 1.00 10.00 C ATOM 669 CD ARG B 18 -9.006 -2.546 -6.693 1.00 10.00 C ATOM 670 NE ARG B 18 -10.127 -3.485 -6.901 1.00 10.00 N ATOM 671 CZ ARG B 18 -10.059 -4.809 -7.087 1.00 10.00 C ATOM 672 NH1 ARG B 18 -8.893 -5.444 -7.168 1.00 10.00 N ATOM 673 NH2 ARG B 18 -11.186 -5.507 -7.196 1.00 10.00 N ATOM 0 H ARG B 18 -7.152 -2.445 -2.662 1.00 10.00 H new ATOM 0 HA ARG B 18 -9.670 -3.671 -2.327 1.00 10.00 H new ATOM 0 HB2 ARG B 18 -10.214 -2.996 -4.483 1.00 10.00 H new ATOM 0 HB3 ARG B 18 -9.236 -1.728 -3.770 1.00 10.00 H new ATOM 0 HG2 ARG B 18 -7.488 -2.034 -5.248 1.00 10.00 H new ATOM 0 HG3 ARG B 18 -7.767 -3.757 -5.407 1.00 10.00 H new ATOM 0 HD2 ARG B 18 -9.386 -1.524 -6.711 1.00 10.00 H new ATOM 0 HD3 ARG B 18 -8.302 -2.639 -7.520 1.00 10.00 H new ATOM 0 HE ARG B 18 -11.062 -3.077 -6.903 1.00 10.00 H new ATOM 0 HH11 ARG B 18 -8.021 -4.921 -7.088 1.00 10.00 H new ATOM 0 HH12 ARG B 18 -8.871 -6.454 -7.310 1.00 10.00 H new ATOM 0 HH21 ARG B 18 -12.087 -5.033 -7.138 1.00 10.00 H new ATOM 0 HH22 ARG B 18 -11.149 -6.516 -7.338 1.00 10.00 H new ATOM 687 N LYS B 19 -7.459 -5.628 -3.755 1.00 10.00 N ATOM 688 CA LYS B 19 -7.204 -7.045 -4.015 1.00 10.00 C ATOM 689 C LYS B 19 -7.525 -7.910 -2.782 1.00 10.00 C ATOM 690 O LYS B 19 -8.247 -8.903 -2.876 1.00 10.00 O ATOM 691 CB LYS B 19 -5.753 -7.219 -4.485 1.00 10.00 C ATOM 692 CG LYS B 19 -5.447 -8.672 -4.872 1.00 10.00 C ATOM 693 CD LYS B 19 -3.998 -8.775 -5.366 1.00 10.00 C ATOM 694 CE LYS B 19 -3.654 -10.201 -5.812 1.00 10.00 C ATOM 695 NZ LYS B 19 -3.692 -11.152 -4.686 1.00 10.00 N ATOM 0 H LYS B 19 -6.633 -5.036 -3.839 1.00 10.00 H new ATOM 0 HA LYS B 19 -7.867 -7.391 -4.808 1.00 10.00 H new ATOM 0 HB2 LYS B 19 -5.568 -6.569 -5.340 1.00 10.00 H new ATOM 0 HB3 LYS B 19 -5.074 -6.904 -3.692 1.00 10.00 H new ATOM 0 HG2 LYS B 19 -5.598 -9.328 -4.014 1.00 10.00 H new ATOM 0 HG3 LYS B 19 -6.133 -9.004 -5.651 1.00 10.00 H new ATOM 0 HD2 LYS B 19 -3.847 -8.087 -6.197 1.00 10.00 H new ATOM 0 HD3 LYS B 19 -3.319 -8.468 -4.570 1.00 10.00 H new ATOM 0 HE2 LYS B 19 -4.357 -10.521 -6.581 1.00 10.00 H new ATOM 0 HE3 LYS B 19 -2.662 -10.211 -6.263 1.00 10.00 H new ATOM 0 HZ1 LYS B 19 -3.340 -12.078 -5.002 1.00 10.00 H new ATOM 0 HZ2 LYS B 19 -3.092 -10.799 -3.913 1.00 10.00 H new ATOM 0 HZ3 LYS B 19 -4.670 -11.251 -4.348 1.00 10.00 H new ATOM 709 N LEU B 20 -7.008 -7.530 -1.613 1.00 10.00 N ATOM 710 CA LEU B 20 -7.277 -8.214 -0.348 1.00 10.00 C ATOM 711 C LEU B 20 -8.763 -8.155 0.037 1.00 10.00 C ATOM 712 O LEU B 20 -9.277 -9.079 0.660 1.00 10.00 O ATOM 713 CB LEU B 20 -6.381 -7.634 0.752 1.00 10.00 C ATOM 714 CG LEU B 20 -4.891 -7.918 0.493 1.00 10.00 C ATOM 715 CD1 LEU B 20 -4.058 -6.932 1.311 1.00 10.00 C ATOM 716 CD2 LEU B 20 -4.501 -9.355 0.862 1.00 10.00 C ATOM 0 H LEU B 20 -6.383 -6.729 -1.517 1.00 10.00 H new ATOM 0 HA LEU B 20 -7.039 -9.271 -0.472 1.00 10.00 H new ATOM 0 HB2 LEU B 20 -6.539 -6.557 0.818 1.00 10.00 H new ATOM 0 HB3 LEU B 20 -6.669 -8.057 1.714 1.00 10.00 H new ATOM 0 HG LEU B 20 -4.700 -7.797 -0.573 1.00 10.00 H new ATOM 0 HD11 LEU B 20 -2.998 -7.120 1.138 1.00 10.00 H new ATOM 0 HD12 LEU B 20 -4.300 -5.913 1.009 1.00 10.00 H new ATOM 0 HD13 LEU B 20 -4.281 -7.058 2.370 1.00 10.00 H new ATOM 0 HD21 LEU B 20 -3.440 -9.507 0.662 1.00 10.00 H new ATOM 0 HD22 LEU B 20 -4.698 -9.525 1.920 1.00 10.00 H new ATOM 0 HD23 LEU B 20 -5.087 -10.055 0.267 1.00 10.00 H new ATOM 728 N LYS B 21 -9.485 -7.102 -0.358 1.00 10.00 N ATOM 729 CA LYS B 21 -10.944 -7.087 -0.289 1.00 10.00 C ATOM 730 C LYS B 21 -11.551 -8.113 -1.264 1.00 10.00 C ATOM 731 O LYS B 21 -12.358 -8.953 -0.870 1.00 10.00 O ATOM 732 CB LYS B 21 -11.448 -5.660 -0.544 1.00 10.00 C ATOM 733 CG LYS B 21 -12.912 -5.498 -0.118 1.00 10.00 C ATOM 734 CD LYS B 21 -13.453 -4.100 -0.446 1.00 10.00 C ATOM 735 CE LYS B 21 -12.694 -2.998 0.304 1.00 10.00 C ATOM 736 NZ LYS B 21 -13.354 -1.692 0.137 1.00 10.00 N ATOM 0 H LYS B 21 -9.077 -6.245 -0.731 1.00 10.00 H new ATOM 0 HA LYS B 21 -11.269 -7.385 0.708 1.00 10.00 H new ATOM 0 HB2 LYS B 21 -10.828 -4.950 0.004 1.00 10.00 H new ATOM 0 HB3 LYS B 21 -11.347 -5.421 -1.603 1.00 10.00 H new ATOM 0 HG2 LYS B 21 -13.521 -6.250 -0.620 1.00 10.00 H new ATOM 0 HG3 LYS B 21 -13.000 -5.679 0.953 1.00 10.00 H new ATOM 0 HD2 LYS B 21 -13.378 -3.925 -1.519 1.00 10.00 H new ATOM 0 HD3 LYS B 21 -14.511 -4.051 -0.188 1.00 10.00 H new ATOM 0 HE2 LYS B 21 -12.637 -3.248 1.364 1.00 10.00 H new ATOM 0 HE3 LYS B 21 -11.670 -2.941 -0.065 1.00 10.00 H new ATOM 0 HZ1 LYS B 21 -12.820 -0.965 0.654 1.00 10.00 H new ATOM 0 HZ2 LYS B 21 -13.386 -1.446 -0.873 1.00 10.00 H new ATOM 0 HZ3 LYS B 21 -14.323 -1.742 0.512 1.00 10.00 H new ATOM 750 N ASN B 22 -11.138 -8.072 -2.535 1.00 10.00 N ATOM 751 CA ASN B 22 -11.575 -8.967 -3.610 1.00 10.00 C ATOM 752 C ASN B 22 -11.374 -10.452 -3.261 1.00 10.00 C ATOM 753 O ASN B 22 -12.163 -11.291 -3.692 1.00 10.00 O ATOM 754 CB ASN B 22 -10.834 -8.594 -4.905 1.00 10.00 C ATOM 755 CG ASN B 22 -11.543 -8.994 -6.196 1.00 10.00 C ATOM 756 OD1 ASN B 22 -11.485 -8.260 -7.176 1.00 10.00 O ATOM 757 ND2 ASN B 22 -12.216 -10.135 -6.246 1.00 10.00 N ATOM 0 H ASN B 22 -10.459 -7.382 -2.856 1.00 10.00 H new ATOM 0 HA ASN B 22 -12.648 -8.835 -3.749 1.00 10.00 H new ATOM 0 HB2 ASN B 22 -10.674 -7.516 -4.916 1.00 10.00 H new ATOM 0 HB3 ASN B 22 -9.850 -9.062 -4.890 1.00 10.00 H new ATOM 0 HD21 ASN B 22 -12.692 -10.409 -7.106 1.00 10.00 H new ATOM 0 HD22 ASN B 22 -12.258 -10.739 -5.425 1.00 10.00 H new ATOM 914 N PRO C 7 6.108 6.479 5.739 1.00 10.00 N ATOM 915 CA PRO C 7 7.167 5.473 5.620 1.00 10.00 C ATOM 916 C PRO C 7 6.949 4.236 6.506 1.00 10.00 C ATOM 917 O PRO C 7 7.256 3.112 6.111 1.00 10.00 O ATOM 918 CB PRO C 7 8.461 6.206 5.990 1.00 10.00 C ATOM 919 CG PRO C 7 8.169 7.644 5.571 1.00 10.00 C ATOM 920 CD PRO C 7 6.685 7.804 5.901 1.00 10.00 C ATOM 0 HA PRO C 7 7.190 5.068 4.608 1.00 10.00 H new ATOM 0 HB2 PRO C 7 8.677 6.132 7.056 1.00 10.00 H new ATOM 0 HB3 PRO C 7 9.322 5.798 5.461 1.00 10.00 H new ATOM 0 HG2 PRO C 7 8.784 8.357 6.120 1.00 10.00 H new ATOM 0 HG3 PRO C 7 8.366 7.803 4.511 1.00 10.00 H new ATOM 0 HD2 PRO C 7 6.546 8.171 6.918 1.00 10.00 H new ATOM 0 HD3 PRO C 7 6.210 8.524 5.234 1.00 10.00 H new ATOM 928 N GLY C 8 6.379 4.440 7.699 1.00 10.00 N ATOM 929 CA GLY C 8 5.930 3.363 8.577 1.00 10.00 C ATOM 930 C GLY C 8 5.094 2.300 7.851 1.00 10.00 C ATOM 931 O GLY C 8 5.286 1.110 8.084 1.00 10.00 O ATOM 0 H GLY C 8 6.216 5.371 8.083 1.00 10.00 H new ATOM 0 HA2 GLY C 8 6.799 2.886 9.030 1.00 10.00 H new ATOM 0 HA3 GLY C 8 5.340 3.787 9.390 1.00 10.00 H new ATOM 935 N PHE C 9 4.195 2.707 6.944 1.00 10.00 N ATOM 936 CA PHE C 9 3.458 1.768 6.102 1.00 10.00 C ATOM 937 C PHE C 9 4.401 0.947 5.215 1.00 10.00 C ATOM 938 O PHE C 9 4.275 -0.270 5.152 1.00 10.00 O ATOM 939 CB PHE C 9 2.402 2.492 5.256 1.00 10.00 C ATOM 940 CG PHE C 9 1.703 1.561 4.284 1.00 10.00 C ATOM 941 CD1 PHE C 9 0.862 0.549 4.782 1.00 10.00 C ATOM 942 CD2 PHE C 9 2.077 1.551 2.927 1.00 10.00 C ATOM 943 CE1 PHE C 9 0.390 -0.462 3.926 1.00 10.00 C ATOM 944 CE2 PHE C 9 1.593 0.549 2.066 1.00 10.00 C ATOM 945 CZ PHE C 9 0.757 -0.464 2.569 1.00 10.00 C ATOM 0 H PHE C 9 3.963 3.686 6.778 1.00 10.00 H new ATOM 0 HA PHE C 9 2.941 1.074 6.765 1.00 10.00 H new ATOM 0 HB2 PHE C 9 1.662 2.947 5.915 1.00 10.00 H new ATOM 0 HB3 PHE C 9 2.877 3.302 4.702 1.00 10.00 H new ATOM 0 HD1 PHE C 9 0.578 0.549 5.824 1.00 10.00 H new ATOM 0 HD2 PHE C 9 2.738 2.315 2.545 1.00 10.00 H new ATOM 0 HE1 PHE C 9 -0.255 -1.238 4.312 1.00 10.00 H new ATOM 0 HE2 PHE C 9 1.863 0.558 1.020 1.00 10.00 H new ATOM 0 HZ PHE C 9 0.397 -1.243 1.913 1.00 10.00 H new ATOM 955 N THR C 10 5.361 1.593 4.547 1.00 10.00 N ATOM 956 CA THR C 10 6.366 0.902 3.738 1.00 10.00 C ATOM 957 C THR C 10 7.124 -0.144 4.570 1.00 10.00 C ATOM 958 O THR C 10 7.218 -1.310 4.187 1.00 10.00 O ATOM 959 CB THR C 10 7.328 1.922 3.109 1.00 10.00 C ATOM 960 OG1 THR C 10 6.593 3.000 2.567 1.00 10.00 O ATOM 961 CG2 THR C 10 8.152 1.291 1.986 1.00 10.00 C ATOM 0 H THR C 10 5.462 2.608 4.552 1.00 10.00 H new ATOM 0 HA THR C 10 5.858 0.368 2.935 1.00 10.00 H new ATOM 0 HB THR C 10 8.000 2.269 3.894 1.00 10.00 H new ATOM 0 HG1 THR C 10 7.210 3.649 2.168 1.00 10.00 H new ATOM 0 HG21 THR C 10 8.822 2.039 1.562 1.00 10.00 H new ATOM 0 HG22 THR C 10 8.738 0.463 2.386 1.00 10.00 H new ATOM 0 HG23 THR C 10 7.484 0.920 1.209 1.00 10.00 H new ATOM 969 N ALA C 11 7.640 0.263 5.734 1.00 10.00 N ATOM 970 CA ALA C 11 8.327 -0.637 6.658 1.00 10.00 C ATOM 971 C ALA C 11 7.428 -1.804 7.111 1.00 10.00 C ATOM 972 O ALA C 11 7.823 -2.973 7.065 1.00 10.00 O ATOM 973 CB ALA C 11 8.849 0.179 7.844 1.00 10.00 C ATOM 0 H ALA C 11 7.592 1.228 6.060 1.00 10.00 H new ATOM 0 HA ALA C 11 9.169 -1.100 6.143 1.00 10.00 H new ATOM 0 HB1 ALA C 11 9.364 -0.481 8.541 1.00 10.00 H new ATOM 0 HB2 ALA C 11 9.542 0.940 7.485 1.00 10.00 H new ATOM 0 HB3 ALA C 11 8.013 0.660 8.351 1.00 10.00 H new ATOM 979 N LEU C 12 6.196 -1.493 7.522 1.00 10.00 N ATOM 980 CA LEU C 12 5.179 -2.481 7.863 1.00 10.00 C ATOM 981 C LEU C 12 4.965 -3.469 6.715 1.00 10.00 C ATOM 982 O LEU C 12 5.244 -4.652 6.868 1.00 10.00 O ATOM 983 CB LEU C 12 3.886 -1.766 8.264 1.00 10.00 C ATOM 984 CG LEU C 12 2.851 -2.681 8.938 1.00 10.00 C ATOM 985 CD1 LEU C 12 1.820 -1.777 9.606 1.00 10.00 C ATOM 986 CD2 LEU C 12 2.113 -3.602 7.957 1.00 10.00 C ATOM 0 H LEU C 12 5.876 -0.530 7.628 1.00 10.00 H new ATOM 0 HA LEU C 12 5.518 -3.069 8.716 1.00 10.00 H new ATOM 0 HB2 LEU C 12 4.130 -0.948 8.942 1.00 10.00 H new ATOM 0 HB3 LEU C 12 3.438 -1.320 7.376 1.00 10.00 H new ATOM 0 HG LEU C 12 3.381 -3.325 9.639 1.00 10.00 H new ATOM 0 HD11 LEU C 12 1.064 -2.389 10.098 1.00 10.00 H new ATOM 0 HD12 LEU C 12 2.314 -1.146 10.345 1.00 10.00 H new ATOM 0 HD13 LEU C 12 1.344 -1.149 8.853 1.00 10.00 H new ATOM 0 HD21 LEU C 12 1.399 -4.218 8.503 1.00 10.00 H new ATOM 0 HD22 LEU C 12 1.582 -2.999 7.220 1.00 10.00 H new ATOM 0 HD23 LEU C 12 2.833 -4.244 7.449 1.00 10.00 H new ATOM 998 N ILE C 13 4.476 -3.009 5.564 1.00 10.00 N ATOM 999 CA ILE C 13 4.116 -3.886 4.453 1.00 10.00 C ATOM 1000 C ILE C 13 5.320 -4.688 3.936 1.00 10.00 C ATOM 1001 O ILE C 13 5.169 -5.859 3.601 1.00 10.00 O ATOM 1002 CB ILE C 13 3.357 -3.098 3.368 1.00 10.00 C ATOM 1003 CG1 ILE C 13 2.481 -3.995 2.478 1.00 10.00 C ATOM 1004 CG2 ILE C 13 4.308 -2.287 2.484 1.00 10.00 C ATOM 1005 CD1 ILE C 13 1.262 -4.553 3.222 1.00 10.00 C ATOM 0 H ILE C 13 4.319 -2.019 5.377 1.00 10.00 H new ATOM 0 HA ILE C 13 3.423 -4.646 4.814 1.00 10.00 H new ATOM 0 HB ILE C 13 2.702 -2.418 3.912 1.00 10.00 H new ATOM 0 HG12 ILE C 13 2.144 -3.424 1.613 1.00 10.00 H new ATOM 0 HG13 ILE C 13 3.081 -4.822 2.100 1.00 10.00 H new ATOM 0 HG21 ILE C 13 3.733 -1.746 1.732 1.00 10.00 H new ATOM 0 HG22 ILE C 13 4.860 -1.576 3.099 1.00 10.00 H new ATOM 0 HG23 ILE C 13 5.009 -2.960 1.990 1.00 10.00 H new ATOM 0 HD11 ILE C 13 0.679 -5.179 2.547 1.00 10.00 H new ATOM 0 HD12 ILE C 13 1.596 -5.149 4.072 1.00 10.00 H new ATOM 0 HD13 ILE C 13 0.644 -3.729 3.577 1.00 10.00 H new ATOM 1017 N LYS C 14 6.529 -4.108 3.941 1.00 10.00 N ATOM 1018 CA LYS C 14 7.759 -4.862 3.701 1.00 10.00 C ATOM 1019 C LYS C 14 7.930 -6.003 4.721 1.00 10.00 C ATOM 1020 O LYS C 14 8.069 -7.166 4.340 1.00 10.00 O ATOM 1021 CB LYS C 14 8.956 -3.902 3.708 1.00 10.00 C ATOM 1022 CG LYS C 14 10.270 -4.631 3.394 1.00 10.00 C ATOM 1023 CD LYS C 14 11.437 -3.652 3.199 1.00 10.00 C ATOM 1024 CE LYS C 14 11.770 -2.892 4.488 1.00 10.00 C ATOM 1025 NZ LYS C 14 12.983 -2.073 4.319 1.00 10.00 N ATOM 0 H LYS C 14 6.677 -3.113 4.110 1.00 10.00 H new ATOM 0 HA LYS C 14 7.700 -5.334 2.720 1.00 10.00 H new ATOM 0 HB2 LYS C 14 8.794 -3.112 2.974 1.00 10.00 H new ATOM 0 HB3 LYS C 14 9.031 -3.421 4.683 1.00 10.00 H new ATOM 0 HG2 LYS C 14 10.506 -5.320 4.205 1.00 10.00 H new ATOM 0 HG3 LYS C 14 10.145 -5.231 2.493 1.00 10.00 H new ATOM 0 HD2 LYS C 14 12.318 -4.200 2.863 1.00 10.00 H new ATOM 0 HD3 LYS C 14 11.186 -2.940 2.413 1.00 10.00 H new ATOM 0 HE2 LYS C 14 10.931 -2.253 4.765 1.00 10.00 H new ATOM 0 HE3 LYS C 14 11.915 -3.599 5.304 1.00 10.00 H new ATOM 0 HZ1 LYS C 14 13.187 -1.568 5.205 1.00 10.00 H new ATOM 0 HZ2 LYS C 14 13.786 -2.688 4.077 1.00 10.00 H new ATOM 0 HZ3 LYS C 14 12.833 -1.384 3.555 1.00 10.00 H new ATOM 1039 N THR C 15 7.909 -5.688 6.021 1.00 10.00 N ATOM 1040 CA THR C 15 7.986 -6.713 7.070 1.00 10.00 C ATOM 1041 C THR C 15 6.835 -7.735 7.006 1.00 10.00 C ATOM 1042 O THR C 15 7.040 -8.904 7.327 1.00 10.00 O ATOM 1043 CB THR C 15 8.188 -6.115 8.477 1.00 10.00 C ATOM 1044 OG1 THR C 15 7.270 -5.088 8.794 1.00 10.00 O ATOM 1045 CG2 THR C 15 9.600 -5.542 8.612 1.00 10.00 C ATOM 0 H THR C 15 7.839 -4.733 6.372 1.00 10.00 H new ATOM 0 HA THR C 15 8.890 -7.284 6.858 1.00 10.00 H new ATOM 0 HB THR C 15 8.023 -6.940 9.170 1.00 10.00 H new ATOM 0 HG1 THR C 15 7.457 -4.300 8.242 1.00 10.00 H new ATOM 0 HG21 THR C 15 9.729 -5.123 9.610 1.00 10.00 H new ATOM 0 HG22 THR C 15 10.331 -6.335 8.454 1.00 10.00 H new ATOM 0 HG23 THR C 15 9.748 -4.759 7.868 1.00 10.00 H new ATOM 1053 N LEU C 16 5.646 -7.339 6.540 1.00 10.00 N ATOM 1054 CA LEU C 16 4.526 -8.244 6.280 1.00 10.00 C ATOM 1055 C LEU C 16 4.856 -9.199 5.128 1.00 10.00 C ATOM 1056 O LEU C 16 4.799 -10.416 5.291 1.00 10.00 O ATOM 1057 CB LEU C 16 3.240 -7.439 6.006 1.00 10.00 C ATOM 1058 CG LEU C 16 1.969 -8.146 6.509 1.00 10.00 C ATOM 1059 CD1 LEU C 16 0.776 -7.191 6.397 1.00 10.00 C ATOM 1060 CD2 LEU C 16 1.657 -9.431 5.735 1.00 10.00 C ATOM 0 H LEU C 16 5.433 -6.364 6.330 1.00 10.00 H new ATOM 0 HA LEU C 16 4.353 -8.854 7.167 1.00 10.00 H new ATOM 0 HB2 LEU C 16 3.320 -6.463 6.485 1.00 10.00 H new ATOM 0 HB3 LEU C 16 3.150 -7.262 4.934 1.00 10.00 H new ATOM 0 HG LEU C 16 2.148 -8.426 7.547 1.00 10.00 H new ATOM 0 HD11 LEU C 16 -0.125 -7.691 6.753 1.00 10.00 H new ATOM 0 HD12 LEU C 16 0.962 -6.304 7.002 1.00 10.00 H new ATOM 0 HD13 LEU C 16 0.641 -6.898 5.356 1.00 10.00 H new ATOM 0 HD21 LEU C 16 0.750 -9.885 6.134 1.00 10.00 H new ATOM 0 HD22 LEU C 16 1.511 -9.194 4.681 1.00 10.00 H new ATOM 0 HD23 LEU C 16 2.488 -10.129 5.838 1.00 10.00 H new ATOM 1072 N ARG C 17 5.230 -8.643 3.971 1.00 10.00 N ATOM 1073 CA ARG C 17 5.653 -9.398 2.795 1.00 10.00 C ATOM 1074 C ARG C 17 6.734 -10.422 3.167 1.00 10.00 C ATOM 1075 O ARG C 17 6.626 -11.593 2.815 1.00 10.00 O ATOM 1076 CB ARG C 17 6.128 -8.414 1.714 1.00 10.00 C ATOM 1077 CG ARG C 17 6.435 -9.078 0.362 1.00 10.00 C ATOM 1078 CD ARG C 17 5.171 -9.518 -0.385 1.00 10.00 C ATOM 1079 NE ARG C 17 4.351 -8.364 -0.791 1.00 10.00 N ATOM 1080 CZ ARG C 17 3.167 -8.441 -1.408 1.00 10.00 C ATOM 1081 NH1 ARG C 17 2.622 -9.621 -1.695 1.00 10.00 N ATOM 1082 NH2 ARG C 17 2.519 -7.330 -1.748 1.00 10.00 N ATOM 0 H ARG C 17 5.246 -7.633 3.827 1.00 10.00 H new ATOM 0 HA ARG C 17 4.813 -9.967 2.395 1.00 10.00 H new ATOM 0 HB2 ARG C 17 5.363 -7.652 1.568 1.00 10.00 H new ATOM 0 HB3 ARG C 17 7.023 -7.903 2.069 1.00 10.00 H new ATOM 0 HG2 ARG C 17 6.995 -8.381 -0.261 1.00 10.00 H new ATOM 0 HG3 ARG C 17 7.075 -9.945 0.525 1.00 10.00 H new ATOM 0 HD2 ARG C 17 5.451 -10.094 -1.267 1.00 10.00 H new ATOM 0 HD3 ARG C 17 4.582 -10.177 0.253 1.00 10.00 H new ATOM 0 HE ARG C 17 4.715 -7.433 -0.586 1.00 10.00 H new ATOM 0 HH11 ARG C 17 3.108 -10.482 -1.444 1.00 10.00 H new ATOM 0 HH12 ARG C 17 1.718 -9.664 -2.166 1.00 10.00 H new ATOM 0 HH21 ARG C 17 2.925 -6.418 -1.538 1.00 10.00 H new ATOM 0 HH22 ARG C 17 1.616 -7.390 -2.219 1.00 10.00 H new ATOM 1096 N LYS C 18 7.747 -9.994 3.931 1.00 10.00 N ATOM 1097 CA LYS C 18 8.713 -10.903 4.542 1.00 10.00 C ATOM 1098 C LYS C 18 8.024 -11.982 5.394 1.00 10.00 C ATOM 1099 O LYS C 18 8.051 -13.154 5.032 1.00 10.00 O ATOM 1100 CB LYS C 18 9.728 -10.105 5.367 1.00 10.00 C ATOM 1101 CG LYS C 18 10.736 -9.357 4.486 1.00 10.00 C ATOM 1102 CD LYS C 18 11.641 -8.425 5.308 1.00 10.00 C ATOM 1103 CE LYS C 18 12.264 -9.096 6.543 1.00 10.00 C ATOM 1104 NZ LYS C 18 12.997 -10.327 6.199 1.00 10.00 N ATOM 0 H LYS C 18 7.916 -9.010 4.140 1.00 10.00 H new ATOM 0 HA LYS C 18 9.242 -11.425 3.745 1.00 10.00 H new ATOM 0 HB2 LYS C 18 9.199 -9.390 5.997 1.00 10.00 H new ATOM 0 HB3 LYS C 18 10.263 -10.782 6.033 1.00 10.00 H new ATOM 0 HG2 LYS C 18 11.352 -10.078 3.948 1.00 10.00 H new ATOM 0 HG3 LYS C 18 10.200 -8.774 3.737 1.00 10.00 H new ATOM 0 HD2 LYS C 18 12.440 -8.051 4.667 1.00 10.00 H new ATOM 0 HD3 LYS C 18 11.060 -7.561 5.630 1.00 10.00 H new ATOM 0 HE2 LYS C 18 12.942 -8.396 7.031 1.00 10.00 H new ATOM 0 HE3 LYS C 18 11.479 -9.332 7.261 1.00 10.00 H new ATOM 0 HZ1 LYS C 18 13.818 -10.430 6.829 1.00 10.00 H new ATOM 0 HZ2 LYS C 18 12.369 -11.148 6.312 1.00 10.00 H new ATOM 0 HZ3 LYS C 18 13.322 -10.273 5.213 1.00 10.00 H new ATOM 1118 N CYS C 19 7.393 -11.602 6.513 1.00 10.00 N ATOM 1119 CA CYS C 19 6.782 -12.533 7.468 1.00 10.00 C ATOM 1120 C CYS C 19 5.893 -13.597 6.799 1.00 10.00 C ATOM 1121 O CYS C 19 5.976 -14.780 7.120 1.00 10.00 O ATOM 1122 CB CYS C 19 5.990 -11.729 8.506 1.00 10.00 C ATOM 1123 SG CYS C 19 5.224 -12.712 9.820 1.00 10.00 S ATOM 0 H CYS C 19 7.292 -10.624 6.783 1.00 10.00 H new ATOM 0 HA CYS C 19 7.585 -13.088 7.953 1.00 10.00 H new ATOM 0 HB2 CYS C 19 6.657 -10.998 8.963 1.00 10.00 H new ATOM 0 HB3 CYS C 19 5.209 -11.169 7.991 1.00 10.00 H new ATOM 0 HG CYS C 19 4.586 -11.925 10.635 1.00 10.00 H new ATOM 1278 N ILE D 7 -3.231 9.398 16.368 1.00 10.00 N ATOM 1279 CA ILE D 7 -2.506 8.731 17.450 1.00 10.00 C ATOM 1280 C ILE D 7 -2.827 7.228 17.538 1.00 10.00 C ATOM 1281 O ILE D 7 -1.926 6.399 17.648 1.00 10.00 O ATOM 1282 CB ILE D 7 -2.704 9.463 18.794 1.00 10.00 C ATOM 1283 CG1 ILE D 7 -4.115 9.393 19.418 1.00 10.00 C ATOM 1284 CG2 ILE D 7 -2.209 10.913 18.700 1.00 10.00 C ATOM 1285 CD1 ILE D 7 -5.253 10.036 18.612 1.00 10.00 C ATOM 0 HA ILE D 7 -1.445 8.790 17.209 1.00 10.00 H new ATOM 0 HB ILE D 7 -2.089 8.899 19.495 1.00 10.00 H new ATOM 0 HG12 ILE D 7 -4.364 8.345 19.583 1.00 10.00 H new ATOM 0 HG13 ILE D 7 -4.079 9.870 20.398 1.00 10.00 H new ATOM 0 HG21 ILE D 7 -2.358 11.411 19.658 1.00 10.00 H new ATOM 0 HG22 ILE D 7 -1.148 10.920 18.448 1.00 10.00 H new ATOM 0 HG23 ILE D 7 -2.769 11.439 17.927 1.00 10.00 H new ATOM 0 HD11 ILE D 7 -6.192 9.922 19.154 1.00 10.00 H new ATOM 0 HD12 ILE D 7 -5.043 11.096 18.468 1.00 10.00 H new ATOM 0 HD13 ILE D 7 -5.332 9.547 17.641 1.00 10.00 H new ATOM 1297 N GLU D 8 -4.110 6.870 17.457 1.00 10.00 N ATOM 1298 CA GLU D 8 -4.580 5.492 17.514 1.00 10.00 C ATOM 1299 C GLU D 8 -4.057 4.685 16.314 1.00 10.00 C ATOM 1300 O GLU D 8 -3.454 3.624 16.474 1.00 10.00 O ATOM 1301 CB GLU D 8 -6.112 5.531 17.585 1.00 10.00 C ATOM 1302 CG GLU D 8 -6.726 4.145 17.835 1.00 10.00 C ATOM 1303 CD GLU D 8 -8.248 4.208 17.929 1.00 10.00 C ATOM 1304 OE1 GLU D 8 -8.740 5.098 18.660 1.00 10.00 O ATOM 1305 OE2 GLU D 8 -8.896 3.373 17.263 1.00 10.00 O ATOM 0 H GLU D 8 -4.864 7.548 17.348 1.00 10.00 H new ATOM 0 HA GLU D 8 -4.196 4.982 18.398 1.00 10.00 H new ATOM 0 HB2 GLU D 8 -6.418 6.209 18.381 1.00 10.00 H new ATOM 0 HB3 GLU D 8 -6.505 5.936 16.653 1.00 10.00 H new ATOM 0 HG2 GLU D 8 -6.439 3.470 17.029 1.00 10.00 H new ATOM 0 HG3 GLU D 8 -6.322 3.729 18.758 1.00 10.00 H new ATOM 1312 N ALA D 9 -4.257 5.220 15.109 1.00 10.00 N ATOM 1313 CA ALA D 9 -3.758 4.654 13.863 1.00 10.00 C ATOM 1314 C ALA D 9 -2.233 4.472 13.892 1.00 10.00 C ATOM 1315 O ALA D 9 -1.729 3.420 13.509 1.00 10.00 O ATOM 1316 CB ALA D 9 -4.206 5.552 12.709 1.00 10.00 C ATOM 0 H ALA D 9 -4.785 6.082 14.973 1.00 10.00 H new ATOM 0 HA ALA D 9 -4.174 3.656 13.724 1.00 10.00 H new ATOM 0 HB1 ALA D 9 -3.841 5.143 11.767 1.00 10.00 H new ATOM 0 HB2 ALA D 9 -5.295 5.599 12.686 1.00 10.00 H new ATOM 0 HB3 ALA D 9 -3.802 6.555 12.850 1.00 10.00 H new ATOM 1322 N ARG D 10 -1.496 5.473 14.382 1.00 10.00 N ATOM 1323 CA ARG D 10 -0.053 5.392 14.595 1.00 10.00 C ATOM 1324 C ARG D 10 0.308 4.257 15.565 1.00 10.00 C ATOM 1325 O ARG D 10 1.153 3.427 15.246 1.00 10.00 O ATOM 1326 CB ARG D 10 0.482 6.742 15.095 1.00 10.00 C ATOM 1327 CG ARG D 10 2.017 6.727 15.155 1.00 10.00 C ATOM 1328 CD ARG D 10 2.561 7.774 16.135 1.00 10.00 C ATOM 1329 NE ARG D 10 3.966 7.483 16.466 1.00 10.00 N ATOM 1330 CZ ARG D 10 4.386 6.471 17.235 1.00 10.00 C ATOM 1331 NH1 ARG D 10 3.523 5.676 17.865 1.00 10.00 N ATOM 1332 NH2 ARG D 10 5.690 6.240 17.361 1.00 10.00 N ATOM 0 H ARG D 10 -1.894 6.375 14.645 1.00 10.00 H new ATOM 0 HA ARG D 10 0.422 5.162 13.641 1.00 10.00 H new ATOM 0 HB2 ARG D 10 0.146 7.540 14.433 1.00 10.00 H new ATOM 0 HB3 ARG D 10 0.076 6.956 16.084 1.00 10.00 H new ATOM 0 HG2 ARG D 10 2.359 5.737 15.455 1.00 10.00 H new ATOM 0 HG3 ARG D 10 2.421 6.916 14.160 1.00 10.00 H new ATOM 0 HD2 ARG D 10 2.482 8.769 15.696 1.00 10.00 H new ATOM 0 HD3 ARG D 10 1.960 7.778 17.044 1.00 10.00 H new ATOM 0 HE ARG D 10 4.677 8.103 16.078 1.00 10.00 H new ATOM 0 HH11 ARG D 10 2.520 5.832 17.766 1.00 10.00 H new ATOM 0 HH12 ARG D 10 3.865 4.911 18.446 1.00 10.00 H new ATOM 0 HH21 ARG D 10 6.362 6.832 16.873 1.00 10.00 H new ATOM 0 HH22 ARG D 10 6.018 5.471 17.945 1.00 10.00 H new ATOM 1346 N LYS D 11 -0.303 4.213 16.753 1.00 10.00 N ATOM 1347 CA LYS D 11 -0.066 3.135 17.714 1.00 10.00 C ATOM 1348 C LYS D 11 -0.318 1.754 17.087 1.00 10.00 C ATOM 1349 O LYS D 11 0.523 0.861 17.198 1.00 10.00 O ATOM 1350 CB LYS D 11 -0.923 3.356 18.966 1.00 10.00 C ATOM 1351 CG LYS D 11 -0.386 4.524 19.803 1.00 10.00 C ATOM 1352 CD LYS D 11 -1.391 4.886 20.901 1.00 10.00 C ATOM 1353 CE LYS D 11 -0.869 6.068 21.722 1.00 10.00 C ATOM 1354 NZ LYS D 11 -1.831 6.448 22.772 1.00 10.00 N ATOM 0 H LYS D 11 -0.969 4.917 17.072 1.00 10.00 H new ATOM 0 HA LYS D 11 0.983 3.156 18.008 1.00 10.00 H new ATOM 0 HB2 LYS D 11 -1.954 3.557 18.674 1.00 10.00 H new ATOM 0 HB3 LYS D 11 -0.934 2.448 19.568 1.00 10.00 H new ATOM 0 HG2 LYS D 11 0.571 4.253 20.249 1.00 10.00 H new ATOM 0 HG3 LYS D 11 -0.206 5.388 19.164 1.00 10.00 H new ATOM 0 HD2 LYS D 11 -2.353 5.139 20.455 1.00 10.00 H new ATOM 0 HD3 LYS D 11 -1.557 4.027 21.551 1.00 10.00 H new ATOM 0 HE2 LYS D 11 0.086 5.806 22.177 1.00 10.00 H new ATOM 0 HE3 LYS D 11 -0.687 6.919 21.066 1.00 10.00 H new ATOM 0 HZ1 LYS D 11 -1.454 7.251 23.314 1.00 10.00 H new ATOM 0 HZ2 LYS D 11 -2.734 6.720 22.334 1.00 10.00 H new ATOM 0 HZ3 LYS D 11 -1.985 5.641 23.410 1.00 10.00 H new ATOM 1368 N TYR D 12 -1.452 1.589 16.399 1.00 10.00 N ATOM 1369 CA TYR D 12 -1.776 0.383 15.639 1.00 10.00 C ATOM 1370 C TYR D 12 -0.659 0.047 14.632 1.00 10.00 C ATOM 1371 O TYR D 12 -0.057 -1.022 14.707 1.00 10.00 O ATOM 1372 CB TYR D 12 -3.147 0.589 14.975 1.00 10.00 C ATOM 1373 CG TYR D 12 -3.788 -0.633 14.337 1.00 10.00 C ATOM 1374 CD1 TYR D 12 -3.298 -1.133 13.117 1.00 10.00 C ATOM 1375 CD2 TYR D 12 -5.005 -1.129 14.847 1.00 10.00 C ATOM 1376 CE1 TYR D 12 -4.040 -2.074 12.382 1.00 10.00 C ATOM 1377 CE2 TYR D 12 -5.735 -2.087 14.122 1.00 10.00 C ATOM 1378 CZ TYR D 12 -5.265 -2.540 12.881 1.00 10.00 C ATOM 1379 OH TYR D 12 -6.025 -3.389 12.139 1.00 10.00 O ATOM 0 H TYR D 12 -2.180 2.302 16.355 1.00 10.00 H new ATOM 0 HA TYR D 12 -1.840 -0.482 16.299 1.00 10.00 H new ATOM 0 HB2 TYR D 12 -3.833 0.980 15.726 1.00 10.00 H new ATOM 0 HB3 TYR D 12 -3.042 1.357 14.209 1.00 10.00 H new ATOM 0 HD1 TYR D 12 -2.345 -0.791 12.742 1.00 10.00 H new ATOM 0 HD2 TYR D 12 -5.377 -0.772 15.796 1.00 10.00 H new ATOM 0 HE1 TYR D 12 -3.668 -2.437 11.435 1.00 10.00 H new ATOM 0 HE2 TYR D 12 -6.660 -2.475 14.522 1.00 10.00 H new ATOM 0 HH TYR D 12 -6.841 -3.615 12.633 1.00 10.00 H new ATOM 1389 N LEU D 13 -0.369 0.969 13.706 1.00 10.00 N ATOM 1390 CA LEU D 13 0.692 0.868 12.699 1.00 10.00 C ATOM 1391 C LEU D 13 2.021 0.407 13.317 1.00 10.00 C ATOM 1392 O LEU D 13 2.586 -0.610 12.919 1.00 10.00 O ATOM 1393 CB LEU D 13 0.831 2.244 12.018 1.00 10.00 C ATOM 1394 CG LEU D 13 1.847 2.306 10.867 1.00 10.00 C ATOM 1395 CD1 LEU D 13 1.220 1.792 9.571 1.00 10.00 C ATOM 1396 CD2 LEU D 13 2.286 3.757 10.648 1.00 10.00 C ATOM 0 H LEU D 13 -0.890 1.843 13.636 1.00 10.00 H new ATOM 0 HA LEU D 13 0.427 0.112 11.959 1.00 10.00 H new ATOM 0 HB2 LEU D 13 -0.145 2.542 11.636 1.00 10.00 H new ATOM 0 HB3 LEU D 13 1.116 2.977 12.772 1.00 10.00 H new ATOM 0 HG LEU D 13 2.702 1.684 11.130 1.00 10.00 H new ATOM 0 HD11 LEU D 13 1.954 1.843 8.767 1.00 10.00 H new ATOM 0 HD12 LEU D 13 0.901 0.759 9.706 1.00 10.00 H new ATOM 0 HD13 LEU D 13 0.358 2.407 9.315 1.00 10.00 H new ATOM 0 HD21 LEU D 13 3.007 3.800 9.831 1.00 10.00 H new ATOM 0 HD22 LEU D 13 1.417 4.366 10.398 1.00 10.00 H new ATOM 0 HD23 LEU D 13 2.747 4.139 11.559 1.00 10.00 H new ATOM 1408 N GLU D 14 2.504 1.159 14.308 1.00 10.00 N ATOM 1409 CA GLU D 14 3.726 0.896 15.054 1.00 10.00 C ATOM 1410 C GLU D 14 3.751 -0.530 15.625 1.00 10.00 C ATOM 1411 O GLU D 14 4.661 -1.301 15.330 1.00 10.00 O ATOM 1412 CB GLU D 14 3.836 1.972 16.142 1.00 10.00 C ATOM 1413 CG GLU D 14 5.068 1.797 17.043 1.00 10.00 C ATOM 1414 CD GLU D 14 5.104 2.847 18.147 1.00 10.00 C ATOM 1415 OE1 GLU D 14 4.118 2.891 18.917 1.00 10.00 O ATOM 1416 OE2 GLU D 14 6.092 3.612 18.194 1.00 10.00 O ATOM 0 H GLU D 14 2.029 2.005 14.623 1.00 10.00 H new ATOM 0 HA GLU D 14 4.594 0.949 14.397 1.00 10.00 H new ATOM 0 HB2 GLU D 14 3.875 2.954 15.670 1.00 10.00 H new ATOM 0 HB3 GLU D 14 2.937 1.950 16.758 1.00 10.00 H new ATOM 0 HG2 GLU D 14 5.058 0.801 17.486 1.00 10.00 H new ATOM 0 HG3 GLU D 14 5.974 1.869 16.441 1.00 10.00 H new ATOM 1423 N GLN D 15 2.758 -0.897 16.439 1.00 10.00 N ATOM 1424 CA GLN D 15 2.703 -2.218 17.066 1.00 10.00 C ATOM 1425 C GLN D 15 2.608 -3.348 16.026 1.00 10.00 C ATOM 1426 O GLN D 15 3.329 -4.342 16.121 1.00 10.00 O ATOM 1427 CB GLN D 15 1.558 -2.250 18.088 1.00 10.00 C ATOM 1428 CG GLN D 15 2.006 -1.803 19.493 1.00 10.00 C ATOM 1429 CD GLN D 15 2.932 -0.586 19.536 1.00 10.00 C ATOM 1430 OE1 GLN D 15 4.082 -0.690 19.942 1.00 10.00 O ATOM 1431 NE2 GLN D 15 2.461 0.582 19.131 1.00 10.00 N ATOM 0 H GLN D 15 1.974 -0.290 16.680 1.00 10.00 H new ATOM 0 HA GLN D 15 3.637 -2.397 17.598 1.00 10.00 H new ATOM 0 HB2 GLN D 15 0.751 -1.603 17.745 1.00 10.00 H new ATOM 0 HB3 GLN D 15 1.154 -3.261 18.144 1.00 10.00 H new ATOM 0 HG2 GLN D 15 1.118 -1.582 20.085 1.00 10.00 H new ATOM 0 HG3 GLN D 15 2.511 -2.639 19.977 1.00 10.00 H new ATOM 0 HE21 GLN D 15 1.501 0.656 18.795 1.00 10.00 H new ATOM 0 HE22 GLN D 15 3.058 1.409 19.155 1.00 10.00 H new ATOM 1440 N LEU D 16 1.751 -3.191 15.012 1.00 10.00 N ATOM 1441 CA LEU D 16 1.631 -4.139 13.905 1.00 10.00 C ATOM 1442 C LEU D 16 2.998 -4.337 13.213 1.00 10.00 C ATOM 1443 O LEU D 16 3.494 -5.459 13.104 1.00 10.00 O ATOM 1444 CB LEU D 16 0.526 -3.633 12.958 1.00 10.00 C ATOM 1445 CG LEU D 16 -0.144 -4.667 12.037 1.00 10.00 C ATOM 1446 CD1 LEU D 16 0.851 -5.467 11.198 1.00 10.00 C ATOM 1447 CD2 LEU D 16 -1.057 -5.622 12.815 1.00 10.00 C ATOM 0 H LEU D 16 1.117 -2.395 14.938 1.00 10.00 H new ATOM 0 HA LEU D 16 1.340 -5.127 14.261 1.00 10.00 H new ATOM 0 HB2 LEU D 16 -0.251 -3.169 13.565 1.00 10.00 H new ATOM 0 HB3 LEU D 16 0.952 -2.849 12.331 1.00 10.00 H new ATOM 0 HG LEU D 16 -0.752 -4.080 11.348 1.00 10.00 H new ATOM 0 HD11 LEU D 16 0.311 -6.177 10.572 1.00 10.00 H new ATOM 0 HD12 LEU D 16 1.423 -4.788 10.566 1.00 10.00 H new ATOM 0 HD13 LEU D 16 1.530 -6.008 11.857 1.00 10.00 H new ATOM 0 HD21 LEU D 16 -1.509 -6.335 12.126 1.00 10.00 H new ATOM 0 HD22 LEU D 16 -0.471 -6.159 13.560 1.00 10.00 H new ATOM 0 HD23 LEU D 16 -1.841 -5.051 13.313 1.00 10.00 H new ATOM 1459 N HIS D 17 3.645 -3.243 12.795 1.00 10.00 N ATOM 1460 CA HIS D 17 4.994 -3.290 12.235 1.00 10.00 C ATOM 1461 C HIS D 17 5.995 -3.972 13.176 1.00 10.00 C ATOM 1462 O HIS D 17 6.721 -4.858 12.742 1.00 10.00 O ATOM 1463 CB HIS D 17 5.463 -1.882 11.864 1.00 10.00 C ATOM 1464 CG HIS D 17 6.878 -1.838 11.336 1.00 10.00 C ATOM 1465 ND1 HIS D 17 7.507 -2.790 10.557 1.00 10.00 N ATOM 1466 CD2 HIS D 17 7.803 -0.873 11.634 1.00 10.00 C ATOM 1467 CE1 HIS D 17 8.777 -2.388 10.386 1.00 10.00 C ATOM 1468 NE2 HIS D 17 9.009 -1.233 11.028 1.00 10.00 N ATOM 0 H HIS D 17 3.247 -2.305 12.837 1.00 10.00 H new ATOM 0 HA HIS D 17 4.951 -3.898 11.332 1.00 10.00 H new ATOM 0 HB2 HIS D 17 4.790 -1.470 11.112 1.00 10.00 H new ATOM 0 HB3 HIS D 17 5.391 -1.240 12.742 1.00 10.00 H new ATOM 0 HD1 HIS D 17 7.085 -3.640 10.182 1.00 10.00 H new ATOM 0 HD2 HIS D 17 7.631 0.010 12.232 1.00 10.00 H new ATOM 0 HE1 HIS D 17 9.515 -2.924 9.808 1.00 10.00 H new ATOM 1476 N ARG D 18 6.043 -3.582 14.453 1.00 10.00 N ATOM 1477 CA ARG D 18 6.903 -4.219 15.452 1.00 10.00 C ATOM 1478 C ARG D 18 6.695 -5.739 15.499 1.00 10.00 C ATOM 1479 O ARG D 18 7.664 -6.494 15.433 1.00 10.00 O ATOM 1480 CB ARG D 18 6.686 -3.578 16.828 1.00 10.00 C ATOM 1481 CG ARG D 18 7.364 -2.205 16.912 1.00 10.00 C ATOM 1482 CD ARG D 18 6.955 -1.487 18.200 1.00 10.00 C ATOM 1483 NE ARG D 18 7.704 -0.231 18.347 1.00 10.00 N ATOM 1484 CZ ARG D 18 7.486 0.710 19.271 1.00 10.00 C ATOM 1485 NH1 ARG D 18 6.456 0.643 20.109 1.00 10.00 N ATOM 1486 NH2 ARG D 18 8.315 1.747 19.347 1.00 10.00 N ATOM 0 H ARG D 18 5.484 -2.813 14.823 1.00 10.00 H new ATOM 0 HA ARG D 18 7.939 -4.055 15.158 1.00 10.00 H new ATOM 0 HB2 ARG D 18 5.618 -3.472 17.018 1.00 10.00 H new ATOM 0 HB3 ARG D 18 7.085 -4.232 17.604 1.00 10.00 H new ATOM 0 HG2 ARG D 18 8.447 -2.325 16.883 1.00 10.00 H new ATOM 0 HG3 ARG D 18 7.086 -1.602 16.048 1.00 10.00 H new ATOM 0 HD2 ARG D 18 5.885 -1.280 18.184 1.00 10.00 H new ATOM 0 HD3 ARG D 18 7.142 -2.132 19.059 1.00 10.00 H new ATOM 0 HE ARG D 18 8.460 -0.062 17.683 1.00 10.00 H new ATOM 0 HH11 ARG D 18 5.806 -0.142 20.057 1.00 10.00 H new ATOM 0 HH12 ARG D 18 6.315 1.376 20.804 1.00 10.00 H new ATOM 0 HH21 ARG D 18 9.105 1.817 18.705 1.00 10.00 H new ATOM 0 HH22 ARG D 18 8.161 2.473 20.047 1.00 10.00 H new ATOM 1500 N LYS D 19 5.444 -6.204 15.585 1.00 10.00 N ATOM 1501 CA LYS D 19 5.130 -7.632 15.538 1.00 10.00 C ATOM 1502 C LYS D 19 5.756 -8.310 14.306 1.00 10.00 C ATOM 1503 O LYS D 19 6.459 -9.312 14.427 1.00 10.00 O ATOM 1504 CB LYS D 19 3.608 -7.817 15.586 1.00 10.00 C ATOM 1505 CG LYS D 19 3.214 -9.297 15.708 1.00 10.00 C ATOM 1506 CD LYS D 19 1.690 -9.485 15.642 1.00 10.00 C ATOM 1507 CE LYS D 19 1.189 -9.805 14.225 1.00 10.00 C ATOM 1508 NZ LYS D 19 1.486 -8.726 13.266 1.00 10.00 N ATOM 0 H LYS D 19 4.626 -5.603 15.689 1.00 10.00 H new ATOM 0 HA LYS D 19 5.568 -8.122 16.408 1.00 10.00 H new ATOM 0 HB2 LYS D 19 3.201 -7.262 16.432 1.00 10.00 H new ATOM 0 HB3 LYS D 19 3.163 -7.396 14.685 1.00 10.00 H new ATOM 0 HG2 LYS D 19 3.686 -9.867 14.908 1.00 10.00 H new ATOM 0 HG3 LYS D 19 3.590 -9.698 16.649 1.00 10.00 H new ATOM 0 HD2 LYS D 19 1.399 -10.291 16.316 1.00 10.00 H new ATOM 0 HD3 LYS D 19 1.201 -8.579 15.999 1.00 10.00 H new ATOM 0 HE2 LYS D 19 1.650 -10.731 13.880 1.00 10.00 H new ATOM 0 HE3 LYS D 19 0.113 -9.976 14.253 1.00 10.00 H new ATOM 0 HZ1 LYS D 19 0.972 -8.899 12.379 1.00 10.00 H new ATOM 0 HZ2 LYS D 19 1.188 -7.814 13.666 1.00 10.00 H new ATOM 0 HZ3 LYS D 19 2.508 -8.703 13.075 1.00 10.00 H new ATOM 1522 N LEU D 20 5.535 -7.754 13.112 1.00 10.00 N ATOM 1523 CA LEU D 20 6.108 -8.291 11.875 1.00 10.00 C ATOM 1524 C LEU D 20 7.647 -8.229 11.857 1.00 10.00 C ATOM 1525 O LEU D 20 8.327 -9.156 11.419 1.00 10.00 O ATOM 1526 CB LEU D 20 5.511 -7.544 10.681 1.00 10.00 C ATOM 1527 CG LEU D 20 3.982 -7.667 10.591 1.00 10.00 C ATOM 1528 CD1 LEU D 20 3.503 -6.672 9.536 1.00 10.00 C ATOM 1529 CD2 LEU D 20 3.536 -9.091 10.237 1.00 10.00 C ATOM 0 H LEU D 20 4.958 -6.924 12.976 1.00 10.00 H new ATOM 0 HA LEU D 20 5.851 -9.348 11.814 1.00 10.00 H new ATOM 0 HB2 LEU D 20 5.781 -6.490 10.749 1.00 10.00 H new ATOM 0 HB3 LEU D 20 5.954 -7.928 9.762 1.00 10.00 H new ATOM 0 HG LEU D 20 3.542 -7.445 11.563 1.00 10.00 H new ATOM 0 HD11 LEU D 20 2.418 -6.732 9.445 1.00 10.00 H new ATOM 0 HD12 LEU D 20 3.787 -5.662 9.833 1.00 10.00 H new ATOM 0 HD13 LEU D 20 3.961 -6.911 8.576 1.00 10.00 H new ATOM 0 HD21 LEU D 20 2.448 -9.129 10.185 1.00 10.00 H new ATOM 0 HD22 LEU D 20 3.956 -9.374 9.272 1.00 10.00 H new ATOM 0 HD23 LEU D 20 3.887 -9.783 11.003 1.00 10.00 H new ATOM 1541 N LYS D 21 8.218 -7.138 12.361 1.00 10.00 N ATOM 1542 CA LYS D 21 9.656 -6.960 12.511 1.00 10.00 C ATOM 1543 C LYS D 21 10.258 -7.972 13.502 1.00 10.00 C ATOM 1544 O LYS D 21 11.395 -8.397 13.324 1.00 10.00 O ATOM 1545 CB LYS D 21 9.912 -5.499 12.897 1.00 10.00 C ATOM 1546 CG LYS D 21 11.399 -5.128 12.927 1.00 10.00 C ATOM 1547 CD LYS D 21 11.590 -3.623 12.683 1.00 10.00 C ATOM 1548 CE LYS D 21 10.837 -2.757 13.700 1.00 10.00 C ATOM 1549 NZ LYS D 21 10.943 -1.329 13.352 1.00 10.00 N ATOM 0 H LYS D 21 7.679 -6.335 12.684 1.00 10.00 H new ATOM 0 HA LYS D 21 10.165 -7.166 11.570 1.00 10.00 H new ATOM 0 HB2 LYS D 21 9.397 -4.849 12.190 1.00 10.00 H new ATOM 0 HB3 LYS D 21 9.478 -5.309 13.879 1.00 10.00 H new ATOM 0 HG2 LYS D 21 11.828 -5.402 13.891 1.00 10.00 H new ATOM 0 HG3 LYS D 21 11.936 -5.695 12.167 1.00 10.00 H new ATOM 0 HD2 LYS D 21 12.653 -3.384 12.726 1.00 10.00 H new ATOM 0 HD3 LYS D 21 11.248 -3.376 11.678 1.00 10.00 H new ATOM 0 HE2 LYS D 21 9.788 -3.052 13.729 1.00 10.00 H new ATOM 0 HE3 LYS D 21 11.243 -2.924 14.698 1.00 10.00 H new ATOM 0 HZ1 LYS D 21 10.655 -0.751 14.167 1.00 10.00 H new ATOM 0 HZ2 LYS D 21 11.927 -1.105 13.099 1.00 10.00 H new ATOM 0 HZ3 LYS D 21 10.322 -1.122 12.544 1.00 10.00 H new ATOM 1563 N ASN D 22 9.488 -8.399 14.511 1.00 10.00 N ATOM 1564 CA ASN D 22 9.838 -9.537 15.364 1.00 10.00 C ATOM 1565 C ASN D 22 9.663 -10.885 14.639 1.00 10.00 C ATOM 1566 O ASN D 22 10.517 -11.756 14.775 1.00 10.00 O ATOM 1567 CB ASN D 22 9.048 -9.491 16.680 1.00 10.00 C ATOM 1568 CG ASN D 22 9.653 -8.502 17.669 1.00 10.00 C ATOM 1569 OD1 ASN D 22 10.323 -8.888 18.618 1.00 10.00 O ATOM 1570 ND2 ASN D 22 9.434 -7.211 17.476 1.00 10.00 N ATOM 0 H ASN D 22 8.601 -7.961 14.758 1.00 10.00 H new ATOM 0 HA ASN D 22 10.898 -9.454 15.604 1.00 10.00 H new ATOM 0 HB2 ASN D 22 8.014 -9.213 16.474 1.00 10.00 H new ATOM 0 HB3 ASN D 22 9.027 -10.485 17.127 1.00 10.00 H new ATOM 0 HD21 ASN D 22 9.825 -6.525 18.122 1.00 10.00 H new ATOM 0 HD22 ASN D 22 8.874 -6.902 16.681 1.00 10.00 H new