USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=14 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 -71:sc= 1.76 USER MOD Set 1.2: D 17 HIS : no HE2:sc= 0.362 K(o=2.1,f=-7.4!) USER MOD Set 1.3: D 21 LYS NZ :NH3+ -174:sc= -0.0189 (180deg=-0.839) USER MOD Set 2.1: A 15 THR OG1 : rot -71:sc= 1.66 USER MOD Set 2.2: B 17 HIS : no HE2:sc= -0.307 K(o=1.3,f=-3.8!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0156 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 160:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 TYR OH : rot 100:sc= 0 USER MOD Single : B 15 GLN : amide:sc= 0.167 X(o=0.17,f=0) USER MOD Single : B 19 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0457) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= 1.15 K(o=1.1,f=0) USER MOD Single : C 10 THR OG1 : rot 180:sc= 0.0255 USER MOD Single : C 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 LYS NZ :NH3+ 157:sc=-0.00016 (180deg=-0.131) USER MOD Single : C 19 CYS SG : rot -31:sc= -0.0215 USER MOD Single : D 11 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.089) USER MOD Single : D 12 TYR OH : rot 180:sc= 0 USER MOD Single : D 15 GLN : amide:sc= 0.933 K(o=0.93,f=-0.066) USER MOD Single : D 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 22 ASN : amide:sc= 0.845! C(o=0.84!,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 6 -3.559 6.785 6.793 1.00 10.00 N ATOM 88 CA PRO A 6 -4.815 6.944 6.069 1.00 10.00 C ATOM 89 C PRO A 6 -5.798 5.812 6.411 1.00 10.00 C ATOM 90 O PRO A 6 -5.367 4.697 6.700 1.00 10.00 O ATOM 91 CB PRO A 6 -4.418 6.922 4.587 1.00 10.00 C ATOM 92 CG PRO A 6 -3.183 6.023 4.579 1.00 10.00 C ATOM 93 CD PRO A 6 -2.487 6.412 5.883 1.00 10.00 C ATOM 0 HA PRO A 6 -5.331 7.867 6.334 1.00 10.00 H new ATOM 0 HB2 PRO A 6 -5.215 6.520 3.961 1.00 10.00 H new ATOM 0 HB3 PRO A 6 -4.193 7.921 4.214 1.00 10.00 H new ATOM 0 HG2 PRO A 6 -3.450 4.966 4.560 1.00 10.00 H new ATOM 0 HG3 PRO A 6 -2.551 6.208 3.710 1.00 10.00 H new ATOM 0 HD2 PRO A 6 -1.904 5.581 6.281 1.00 10.00 H new ATOM 0 HD3 PRO A 6 -1.796 7.241 5.728 1.00 10.00 H new ATOM 101 N PRO A 7 -7.120 6.046 6.331 1.00 10.00 N ATOM 102 CA PRO A 7 -8.128 5.020 6.593 1.00 10.00 C ATOM 103 C PRO A 7 -7.963 3.807 5.665 1.00 10.00 C ATOM 104 O PRO A 7 -8.239 2.676 6.060 1.00 10.00 O ATOM 105 CB PRO A 7 -9.480 5.720 6.414 1.00 10.00 C ATOM 106 CG PRO A 7 -9.162 6.876 5.465 1.00 10.00 C ATOM 107 CD PRO A 7 -7.746 7.277 5.877 1.00 10.00 C ATOM 0 HA PRO A 7 -8.033 4.608 7.598 1.00 10.00 H new ATOM 0 HB2 PRO A 7 -10.227 5.048 5.991 1.00 10.00 H new ATOM 0 HB3 PRO A 7 -9.875 6.078 7.365 1.00 10.00 H new ATOM 0 HG2 PRO A 7 -9.206 6.565 4.421 1.00 10.00 H new ATOM 0 HG3 PRO A 7 -9.866 7.700 5.582 1.00 10.00 H new ATOM 0 HD2 PRO A 7 -7.200 7.711 5.039 1.00 10.00 H new ATOM 0 HD3 PRO A 7 -7.763 8.026 6.669 1.00 10.00 H new ATOM 115 N GLY A 8 -7.449 4.038 4.451 1.00 10.00 N ATOM 116 CA GLY A 8 -6.992 2.990 3.543 1.00 10.00 C ATOM 117 C GLY A 8 -6.108 1.936 4.224 1.00 10.00 C ATOM 118 O GLY A 8 -6.240 0.752 3.932 1.00 10.00 O ATOM 0 H GLY A 8 -7.339 4.977 4.069 1.00 10.00 H new ATOM 0 HA2 GLY A 8 -7.859 2.497 3.103 1.00 10.00 H new ATOM 0 HA3 GLY A 8 -6.435 3.446 2.724 1.00 10.00 H new ATOM 122 N PHE A 9 -5.225 2.340 5.148 1.00 10.00 N ATOM 123 CA PHE A 9 -4.431 1.396 5.932 1.00 10.00 C ATOM 124 C PHE A 9 -5.322 0.499 6.800 1.00 10.00 C ATOM 125 O PHE A 9 -5.230 -0.722 6.734 1.00 10.00 O ATOM 126 CB PHE A 9 -3.409 2.146 6.791 1.00 10.00 C ATOM 127 CG PHE A 9 -2.681 1.255 7.775 1.00 10.00 C ATOM 128 CD1 PHE A 9 -1.829 0.245 7.299 1.00 10.00 C ATOM 129 CD2 PHE A 9 -2.971 1.333 9.150 1.00 10.00 C ATOM 130 CE1 PHE A 9 -1.204 -0.633 8.201 1.00 10.00 C ATOM 131 CE2 PHE A 9 -2.331 0.470 10.055 1.00 10.00 C ATOM 132 CZ PHE A 9 -1.446 -0.513 9.581 1.00 10.00 C ATOM 0 H PHE A 9 -5.045 3.320 5.368 1.00 10.00 H new ATOM 0 HA PHE A 9 -3.894 0.749 5.238 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -2.680 2.626 6.139 1.00 10.00 H new ATOM 0 HB3 PHE A 9 -3.918 2.939 7.338 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -1.654 0.143 6.238 1.00 10.00 H new ATOM 0 HD2 PHE A 9 -3.687 2.057 9.510 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -0.538 -1.400 7.834 1.00 10.00 H new ATOM 0 HE2 PHE A 9 -2.519 0.562 11.115 1.00 10.00 H new ATOM 0 HZ PHE A 9 -0.952 -1.176 10.276 1.00 10.00 H new ATOM 142 N THR A 10 -6.208 1.094 7.602 1.00 10.00 N ATOM 143 CA THR A 10 -7.161 0.353 8.429 1.00 10.00 C ATOM 144 C THR A 10 -7.985 -0.628 7.584 1.00 10.00 C ATOM 145 O THR A 10 -8.116 -1.805 7.922 1.00 10.00 O ATOM 146 CB THR A 10 -8.068 1.348 9.170 1.00 10.00 C ATOM 147 OG1 THR A 10 -7.273 2.373 9.731 1.00 10.00 O ATOM 148 CG2 THR A 10 -8.839 0.664 10.300 1.00 10.00 C ATOM 0 H THR A 10 -6.284 2.107 7.696 1.00 10.00 H new ATOM 0 HA THR A 10 -6.612 -0.241 9.160 1.00 10.00 H new ATOM 0 HB THR A 10 -8.781 1.754 8.452 1.00 10.00 H new ATOM 0 HG1 THR A 10 -7.848 3.011 10.203 1.00 10.00 H new ATOM 0 HG21 THR A 10 -9.471 1.395 10.804 1.00 10.00 H new ATOM 0 HG22 THR A 10 -9.461 -0.130 9.887 1.00 10.00 H new ATOM 0 HG23 THR A 10 -8.135 0.239 11.015 1.00 10.00 H new ATOM 156 N ALA A 11 -8.517 -0.148 6.456 1.00 10.00 N ATOM 157 CA ALA A 11 -9.256 -0.969 5.503 1.00 10.00 C ATOM 158 C ALA A 11 -8.394 -2.106 4.922 1.00 10.00 C ATOM 159 O ALA A 11 -8.838 -3.256 4.850 1.00 10.00 O ATOM 160 CB ALA A 11 -9.832 -0.058 4.417 1.00 10.00 C ATOM 0 H ALA A 11 -8.444 0.831 6.180 1.00 10.00 H new ATOM 0 HA ALA A 11 -10.076 -1.469 6.019 1.00 10.00 H new ATOM 0 HB1 ALA A 11 -10.388 -0.658 3.696 1.00 10.00 H new ATOM 0 HB2 ALA A 11 -10.500 0.673 4.872 1.00 10.00 H new ATOM 0 HB3 ALA A 11 -9.019 0.460 3.908 1.00 10.00 H new ATOM 166 N LEU A 12 -7.147 -1.809 4.539 1.00 10.00 N ATOM 167 CA LEU A 12 -6.164 -2.816 4.146 1.00 10.00 C ATOM 168 C LEU A 12 -6.001 -3.872 5.239 1.00 10.00 C ATOM 169 O LEU A 12 -6.216 -5.044 4.971 1.00 10.00 O ATOM 170 CB LEU A 12 -4.831 -2.158 3.758 1.00 10.00 C ATOM 171 CG LEU A 12 -3.818 -3.143 3.142 1.00 10.00 C ATOM 172 CD1 LEU A 12 -2.883 -2.362 2.218 1.00 10.00 C ATOM 173 CD2 LEU A 12 -2.955 -3.850 4.197 1.00 10.00 C ATOM 0 H LEU A 12 -6.792 -0.854 4.494 1.00 10.00 H new ATOM 0 HA LEU A 12 -6.530 -3.333 3.259 1.00 10.00 H new ATOM 0 HB2 LEU A 12 -5.024 -1.355 3.047 1.00 10.00 H new ATOM 0 HB3 LEU A 12 -4.389 -1.700 4.643 1.00 10.00 H new ATOM 0 HG LEU A 12 -4.388 -3.904 2.609 1.00 10.00 H new ATOM 0 HD11 LEU A 12 -2.158 -3.044 1.773 1.00 10.00 H new ATOM 0 HD12 LEU A 12 -3.465 -1.886 1.429 1.00 10.00 H new ATOM 0 HD13 LEU A 12 -2.358 -1.599 2.792 1.00 10.00 H new ATOM 0 HD21 LEU A 12 -2.261 -4.531 3.703 1.00 10.00 H new ATOM 0 HD22 LEU A 12 -2.393 -3.108 4.764 1.00 10.00 H new ATOM 0 HD23 LEU A 12 -3.597 -4.414 4.874 1.00 10.00 H new ATOM 185 N ILE A 13 -5.660 -3.481 6.470 1.00 10.00 N ATOM 186 CA ILE A 13 -5.520 -4.399 7.604 1.00 10.00 C ATOM 187 C ILE A 13 -6.769 -5.275 7.786 1.00 10.00 C ATOM 188 O ILE A 13 -6.660 -6.498 7.869 1.00 10.00 O ATOM 189 CB ILE A 13 -5.174 -3.607 8.880 1.00 10.00 C ATOM 190 CG1 ILE A 13 -3.762 -2.991 8.816 1.00 10.00 C ATOM 191 CG2 ILE A 13 -5.332 -4.450 10.154 1.00 10.00 C ATOM 192 CD1 ILE A 13 -2.611 -3.999 8.930 1.00 10.00 C ATOM 0 H ILE A 13 -5.471 -2.508 6.710 1.00 10.00 H new ATOM 0 HA ILE A 13 -4.698 -5.084 7.396 1.00 10.00 H new ATOM 0 HB ILE A 13 -5.897 -2.792 8.929 1.00 10.00 H new ATOM 0 HG12 ILE A 13 -3.660 -2.450 7.875 1.00 10.00 H new ATOM 0 HG13 ILE A 13 -3.665 -2.258 9.617 1.00 10.00 H new ATOM 0 HG21 ILE A 13 -5.076 -3.846 11.024 1.00 10.00 H new ATOM 0 HG22 ILE A 13 -6.364 -4.791 10.239 1.00 10.00 H new ATOM 0 HG23 ILE A 13 -4.668 -5.313 10.104 1.00 10.00 H new ATOM 0 HD11 ILE A 13 -1.659 -3.472 8.874 1.00 10.00 H new ATOM 0 HD12 ILE A 13 -2.680 -4.524 9.883 1.00 10.00 H new ATOM 0 HD13 ILE A 13 -2.675 -4.719 8.114 1.00 10.00 H new ATOM 204 N LYS A 14 -7.959 -4.666 7.824 1.00 10.00 N ATOM 205 CA LYS A 14 -9.219 -5.401 7.919 1.00 10.00 C ATOM 206 C LYS A 14 -9.350 -6.451 6.801 1.00 10.00 C ATOM 207 O LYS A 14 -9.546 -7.637 7.069 1.00 10.00 O ATOM 208 CB LYS A 14 -10.381 -4.398 7.908 1.00 10.00 C ATOM 209 CG LYS A 14 -11.735 -5.091 8.112 1.00 10.00 C ATOM 210 CD LYS A 14 -12.852 -4.042 8.151 1.00 10.00 C ATOM 211 CE LYS A 14 -14.209 -4.726 8.341 1.00 10.00 C ATOM 212 NZ LYS A 14 -15.300 -3.737 8.382 1.00 10.00 N ATOM 0 H LYS A 14 -8.073 -3.653 7.790 1.00 10.00 H new ATOM 0 HA LYS A 14 -9.242 -5.957 8.856 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -10.230 -3.658 8.694 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -10.387 -3.860 6.960 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -11.917 -5.800 7.304 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -11.726 -5.661 9.041 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -12.673 -3.339 8.965 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -12.853 -3.466 7.226 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -14.382 -5.430 7.527 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -14.202 -5.303 9.265 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -16.208 -4.227 8.511 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -15.144 -3.081 9.174 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -15.319 -3.204 7.489 1.00 10.00 H new ATOM 226 N THR A 15 -9.229 -6.022 5.542 1.00 10.00 N ATOM 227 CA THR A 15 -9.314 -6.927 4.393 1.00 10.00 C ATOM 228 C THR A 15 -8.193 -7.978 4.362 1.00 10.00 C ATOM 229 O THR A 15 -8.431 -9.111 3.955 1.00 10.00 O ATOM 230 CB THR A 15 -9.439 -6.161 3.066 1.00 10.00 C ATOM 231 OG1 THR A 15 -8.436 -5.178 2.894 1.00 10.00 O ATOM 232 CG2 THR A 15 -10.805 -5.481 2.979 1.00 10.00 C ATOM 0 H THR A 15 -9.071 -5.046 5.292 1.00 10.00 H new ATOM 0 HA THR A 15 -10.237 -7.492 4.523 1.00 10.00 H new ATOM 0 HB THR A 15 -9.319 -6.902 2.275 1.00 10.00 H new ATOM 0 HG1 THR A 15 -8.602 -4.431 3.506 1.00 10.00 H new ATOM 0 HG21 THR A 15 -10.883 -4.941 2.035 1.00 10.00 H new ATOM 0 HG22 THR A 15 -11.591 -6.235 3.032 1.00 10.00 H new ATOM 0 HG23 THR A 15 -10.917 -4.781 3.807 1.00 10.00 H new ATOM 240 N LEU A 16 -6.990 -7.639 4.835 1.00 10.00 N ATOM 241 CA LEU A 16 -5.877 -8.568 5.009 1.00 10.00 C ATOM 242 C LEU A 16 -6.261 -9.666 6.001 1.00 10.00 C ATOM 243 O LEU A 16 -6.242 -10.845 5.652 1.00 10.00 O ATOM 244 CB LEU A 16 -4.615 -7.801 5.451 1.00 10.00 C ATOM 245 CG LEU A 16 -3.313 -8.602 5.278 1.00 10.00 C ATOM 246 CD1 LEU A 16 -2.144 -7.629 5.081 1.00 10.00 C ATOM 247 CD2 LEU A 16 -3.009 -9.487 6.494 1.00 10.00 C ATOM 0 H LEU A 16 -6.761 -6.685 5.114 1.00 10.00 H new ATOM 0 HA LEU A 16 -5.650 -9.052 4.059 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -4.542 -6.877 4.877 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -4.721 -7.518 6.498 1.00 10.00 H new ATOM 0 HG LEU A 16 -3.440 -9.249 4.410 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.219 -8.192 4.958 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -2.321 -7.023 4.192 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.060 -6.980 5.952 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -2.081 -10.032 6.324 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.906 -8.863 7.382 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -3.824 -10.195 6.641 1.00 10.00 H new ATOM 259 N ARG A 17 -6.645 -9.278 7.222 1.00 10.00 N ATOM 260 CA ARG A 17 -7.153 -10.211 8.222 1.00 10.00 C ATOM 261 C ARG A 17 -8.265 -11.097 7.642 1.00 10.00 C ATOM 262 O ARG A 17 -8.205 -12.317 7.773 1.00 10.00 O ATOM 263 CB ARG A 17 -7.602 -9.456 9.484 1.00 10.00 C ATOM 264 CG ARG A 17 -8.463 -10.376 10.359 1.00 10.00 C ATOM 265 CD ARG A 17 -8.520 -9.965 11.834 1.00 10.00 C ATOM 266 NE ARG A 17 -9.637 -10.644 12.520 1.00 10.00 N ATOM 267 CZ ARG A 17 -9.872 -11.962 12.516 1.00 10.00 C ATOM 268 NH1 ARG A 17 -8.934 -12.829 12.150 1.00 10.00 N ATOM 269 NH2 ARG A 17 -11.071 -12.420 12.863 1.00 10.00 N ATOM 0 H ARG A 17 -6.611 -8.309 7.540 1.00 10.00 H new ATOM 0 HA ARG A 17 -6.345 -10.881 8.515 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -6.731 -9.115 10.045 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -8.169 -8.568 9.205 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -9.477 -10.395 9.959 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -8.074 -11.392 10.291 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -7.579 -10.216 12.324 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -8.641 -8.885 11.912 1.00 10.00 H new ATOM 0 HE ARG A 17 -10.287 -10.057 13.043 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -8.014 -12.494 11.865 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -9.134 -13.829 12.154 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -11.808 -11.768 13.131 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -11.254 -13.423 12.861 1.00 10.00 H new ATOM 283 N LYS A 18 -9.270 -10.494 6.998 1.00 10.00 N ATOM 284 CA LYS A 18 -10.350 -11.249 6.368 1.00 10.00 C ATOM 285 C LYS A 18 -9.799 -12.281 5.371 1.00 10.00 C ATOM 286 O LYS A 18 -9.941 -13.480 5.594 1.00 10.00 O ATOM 287 CB LYS A 18 -11.358 -10.276 5.736 1.00 10.00 C ATOM 288 CG LYS A 18 -12.635 -10.957 5.219 1.00 10.00 C ATOM 289 CD LYS A 18 -13.374 -11.709 6.336 1.00 10.00 C ATOM 290 CE LYS A 18 -14.831 -12.002 5.963 1.00 10.00 C ATOM 291 NZ LYS A 18 -14.928 -12.901 4.801 1.00 10.00 N ATOM 0 H LYS A 18 -9.355 -9.482 6.901 1.00 10.00 H new ATOM 0 HA LYS A 18 -10.882 -11.825 7.125 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -11.632 -9.522 6.473 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -10.876 -9.753 4.910 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -13.297 -10.207 4.786 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -12.378 -11.653 4.421 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -12.858 -12.646 6.545 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -13.346 -11.118 7.251 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -15.341 -12.453 6.815 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -15.345 -11.066 5.743 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -15.929 -13.075 4.580 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -14.464 -12.460 3.981 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -14.460 -13.803 5.020 1.00 10.00 H new ATOM 305 N CYS A 19 -9.111 -11.825 4.317 1.00 10.00 N ATOM 306 CA CYS A 19 -8.495 -12.671 3.292 1.00 10.00 C ATOM 307 C CYS A 19 -7.658 -13.820 3.882 1.00 10.00 C ATOM 308 O CYS A 19 -7.774 -14.966 3.456 1.00 10.00 O ATOM 309 CB CYS A 19 -7.648 -11.789 2.369 1.00 10.00 C ATOM 310 SG CYS A 19 -6.897 -12.658 0.972 1.00 10.00 S ATOM 0 H CYS A 19 -8.964 -10.829 4.151 1.00 10.00 H new ATOM 0 HA CYS A 19 -9.293 -13.151 2.725 1.00 10.00 H new ATOM 0 HB2 CYS A 19 -8.274 -10.984 1.984 1.00 10.00 H new ATOM 0 HB3 CYS A 19 -6.857 -11.325 2.958 1.00 10.00 H new ATOM 0 HG CYS A 19 -6.577 -11.800 0.049 1.00 10.00 H new ATOM 315 N LYS A 20 -6.819 -13.512 4.876 1.00 10.00 N ATOM 316 CA LYS A 20 -5.977 -14.488 5.566 1.00 10.00 C ATOM 317 C LYS A 20 -6.733 -15.352 6.593 1.00 10.00 C ATOM 318 O LYS A 20 -6.148 -16.300 7.116 1.00 10.00 O ATOM 319 CB LYS A 20 -4.823 -13.748 6.261 1.00 10.00 C ATOM 320 CG LYS A 20 -3.847 -13.050 5.299 1.00 10.00 C ATOM 321 CD LYS A 20 -3.074 -13.994 4.366 1.00 10.00 C ATOM 322 CE LYS A 20 -2.332 -15.090 5.141 1.00 10.00 C ATOM 323 NZ LYS A 20 -1.333 -15.755 4.289 1.00 10.00 N ATOM 0 H LYS A 20 -6.706 -12.561 5.228 1.00 10.00 H new ATOM 0 HA LYS A 20 -5.607 -15.178 4.807 1.00 10.00 H new ATOM 0 HB2 LYS A 20 -5.241 -13.004 6.939 1.00 10.00 H new ATOM 0 HB3 LYS A 20 -4.267 -14.459 6.872 1.00 10.00 H new ATOM 0 HG2 LYS A 20 -4.405 -12.338 4.691 1.00 10.00 H new ATOM 0 HG3 LYS A 20 -3.130 -12.475 5.885 1.00 10.00 H new ATOM 0 HD2 LYS A 20 -3.767 -14.454 3.661 1.00 10.00 H new ATOM 0 HD3 LYS A 20 -2.359 -13.418 3.779 1.00 10.00 H new ATOM 0 HE2 LYS A 20 -1.841 -14.656 6.012 1.00 10.00 H new ATOM 0 HE3 LYS A 20 -3.046 -15.825 5.512 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 -0.845 -16.492 4.837 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 -1.807 -16.188 3.471 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 -0.640 -15.055 3.956 1.00 10.00 H new ATOM 337 N ILE A 21 -7.986 -15.024 6.937 1.00 10.00 N ATOM 338 CA ILE A 21 -8.782 -15.625 8.017 1.00 10.00 C ATOM 339 C ILE A 21 -8.237 -15.258 9.412 1.00 10.00 C ATOM 340 O ILE A 21 -8.977 -14.788 10.277 1.00 10.00 O ATOM 341 CB ILE A 21 -8.965 -17.149 7.833 1.00 10.00 C ATOM 342 CG1 ILE A 21 -9.405 -17.550 6.410 1.00 10.00 C ATOM 343 CG2 ILE A 21 -9.956 -17.696 8.871 1.00 10.00 C ATOM 344 CD1 ILE A 21 -10.760 -16.983 5.973 1.00 10.00 C ATOM 0 H ILE A 21 -8.499 -14.294 6.443 1.00 10.00 H new ATOM 0 HA ILE A 21 -9.779 -15.190 7.951 1.00 10.00 H new ATOM 0 HB ILE A 21 -7.983 -17.596 7.987 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -8.644 -17.220 5.703 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -9.446 -18.638 6.350 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -10.075 -18.770 8.730 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -9.576 -17.502 9.874 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -10.921 -17.205 8.747 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -10.985 -17.318 4.960 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -11.537 -17.333 6.652 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -10.723 -15.894 5.995 1.00 10.00 H new ATOM 356 N ILE A 22 -6.938 -15.472 9.638 1.00 10.00 N ATOM 357 CA ILE A 22 -6.205 -15.023 10.819 1.00 10.00 C ATOM 358 C ILE A 22 -5.844 -13.535 10.672 1.00 10.00 C ATOM 359 O ILE A 22 -6.234 -12.758 11.572 1.00 10.00 O ATOM 360 CB ILE A 22 -4.952 -15.902 11.017 1.00 10.00 C ATOM 361 CG1 ILE A 22 -5.354 -17.383 11.158 1.00 10.00 C ATOM 362 CG2 ILE A 22 -4.163 -15.437 12.252 1.00 10.00 C ATOM 363 CD1 ILE A 22 -4.154 -18.328 11.271 1.00 10.00 C ATOM 364 OXT ILE A 22 -5.176 -13.201 9.668 1.00 10.00 O ATOM 0 H ILE A 22 -6.349 -15.981 8.979 1.00 10.00 H new ATOM 0 HA ILE A 22 -6.829 -15.127 11.707 1.00 10.00 H new ATOM 0 HB ILE A 22 -4.312 -15.800 10.141 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -5.983 -17.499 12.040 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -5.956 -17.673 10.297 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -3.282 -16.066 12.379 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -3.853 -14.401 12.117 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -4.794 -15.514 13.137 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -4.507 -19.355 11.368 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -3.536 -18.239 10.378 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -3.564 -18.063 12.148 1.00 10.00 H new ATOM 465 N ILE B 7 2.703 9.050 -5.385 1.00 10.00 N ATOM 466 CA ILE B 7 1.623 8.451 -6.174 1.00 10.00 C ATOM 467 C ILE B 7 1.773 6.926 -6.300 1.00 10.00 C ATOM 468 O ILE B 7 0.792 6.204 -6.147 1.00 10.00 O ATOM 469 CB ILE B 7 1.392 9.164 -7.522 1.00 10.00 C ATOM 470 CG1 ILE B 7 2.566 9.002 -8.497 1.00 10.00 C ATOM 471 CG2 ILE B 7 1.057 10.643 -7.276 1.00 10.00 C ATOM 472 CD1 ILE B 7 2.302 9.637 -9.866 1.00 10.00 C ATOM 0 HA ILE B 7 0.703 8.613 -5.613 1.00 10.00 H new ATOM 0 HB ILE B 7 0.543 8.683 -8.008 1.00 10.00 H new ATOM 0 HG12 ILE B 7 3.458 9.452 -8.060 1.00 10.00 H new ATOM 0 HG13 ILE B 7 2.776 7.941 -8.630 1.00 10.00 H new ATOM 0 HG21 ILE B 7 0.895 11.143 -8.231 1.00 10.00 H new ATOM 0 HG22 ILE B 7 0.154 10.716 -6.670 1.00 10.00 H new ATOM 0 HG23 ILE B 7 1.885 11.121 -6.752 1.00 10.00 H new ATOM 0 HD11 ILE B 7 3.169 9.488 -10.509 1.00 10.00 H new ATOM 0 HD12 ILE B 7 1.428 9.170 -10.321 1.00 10.00 H new ATOM 0 HD13 ILE B 7 2.120 10.705 -9.743 1.00 10.00 H new ATOM 484 N GLU B 8 2.995 6.425 -6.511 1.00 10.00 N ATOM 485 CA GLU B 8 3.305 4.997 -6.490 1.00 10.00 C ATOM 486 C GLU B 8 2.826 4.337 -5.186 1.00 10.00 C ATOM 487 O GLU B 8 2.106 3.344 -5.221 1.00 10.00 O ATOM 488 CB GLU B 8 4.816 4.791 -6.691 1.00 10.00 C ATOM 489 CG GLU B 8 5.271 5.089 -8.129 1.00 10.00 C ATOM 490 CD GLU B 8 6.791 5.005 -8.268 1.00 10.00 C ATOM 491 OE1 GLU B 8 7.455 6.038 -8.018 1.00 10.00 O ATOM 492 OE2 GLU B 8 7.266 3.904 -8.616 1.00 10.00 O ATOM 0 H GLU B 8 3.807 7.012 -6.704 1.00 10.00 H new ATOM 0 HA GLU B 8 2.771 4.515 -7.309 1.00 10.00 H new ATOM 0 HB2 GLU B 8 5.361 5.435 -6.001 1.00 10.00 H new ATOM 0 HB3 GLU B 8 5.075 3.763 -6.438 1.00 10.00 H new ATOM 0 HG2 GLU B 8 4.803 4.381 -8.813 1.00 10.00 H new ATOM 0 HG3 GLU B 8 4.933 6.084 -8.419 1.00 10.00 H new ATOM 499 N ALA B 9 3.208 4.889 -4.032 1.00 10.00 N ATOM 500 CA ALA B 9 2.817 4.379 -2.722 1.00 10.00 C ATOM 501 C ALA B 9 1.293 4.399 -2.518 1.00 10.00 C ATOM 502 O ALA B 9 0.712 3.399 -2.098 1.00 10.00 O ATOM 503 CB ALA B 9 3.554 5.169 -1.636 1.00 10.00 C ATOM 0 H ALA B 9 3.806 5.714 -3.984 1.00 10.00 H new ATOM 0 HA ALA B 9 3.106 3.330 -2.655 1.00 10.00 H new ATOM 0 HB1 ALA B 9 3.266 4.793 -0.654 1.00 10.00 H new ATOM 0 HB2 ALA B 9 4.630 5.053 -1.768 1.00 10.00 H new ATOM 0 HB3 ALA B 9 3.291 6.224 -1.712 1.00 10.00 H new ATOM 509 N ARG B 10 0.631 5.518 -2.839 1.00 10.00 N ATOM 510 CA ARG B 10 -0.830 5.618 -2.793 1.00 10.00 C ATOM 511 C ARG B 10 -1.498 4.551 -3.682 1.00 10.00 C ATOM 512 O ARG B 10 -2.368 3.807 -3.229 1.00 10.00 O ATOM 513 CB ARG B 10 -1.250 7.048 -3.177 1.00 10.00 C ATOM 514 CG ARG B 10 -2.768 7.244 -3.333 1.00 10.00 C ATOM 515 CD ARG B 10 -3.559 7.067 -2.031 1.00 10.00 C ATOM 516 NE ARG B 10 -3.421 8.242 -1.150 1.00 10.00 N ATOM 517 CZ ARG B 10 -3.037 8.263 0.131 1.00 10.00 C ATOM 518 NH1 ARG B 10 -2.516 7.208 0.744 1.00 10.00 N ATOM 519 NH2 ARG B 10 -3.158 9.374 0.846 1.00 10.00 N ATOM 0 H ARG B 10 1.094 6.377 -3.137 1.00 10.00 H new ATOM 0 HA ARG B 10 -1.174 5.419 -1.778 1.00 10.00 H new ATOM 0 HB2 ARG B 10 -0.883 7.738 -2.417 1.00 10.00 H new ATOM 0 HB3 ARG B 10 -0.763 7.317 -4.114 1.00 10.00 H new ATOM 0 HG2 ARG B 10 -2.956 8.243 -3.727 1.00 10.00 H new ATOM 0 HG3 ARG B 10 -3.141 6.535 -4.072 1.00 10.00 H new ATOM 0 HD2 ARG B 10 -4.612 6.907 -2.263 1.00 10.00 H new ATOM 0 HD3 ARG B 10 -3.208 6.177 -1.509 1.00 10.00 H new ATOM 0 HE ARG B 10 -3.645 9.145 -1.567 1.00 10.00 H new ATOM 0 HH11 ARG B 10 -2.393 6.332 0.236 1.00 10.00 H new ATOM 0 HH12 ARG B 10 -2.238 7.273 1.723 1.00 10.00 H new ATOM 0 HH21 ARG B 10 -3.545 10.216 0.419 1.00 10.00 H new ATOM 0 HH22 ARG B 10 -2.864 9.386 1.823 1.00 10.00 H new ATOM 533 N LYS B 11 -1.083 4.460 -4.949 1.00 10.00 N ATOM 534 CA LYS B 11 -1.579 3.455 -5.886 1.00 10.00 C ATOM 535 C LYS B 11 -1.312 2.027 -5.388 1.00 10.00 C ATOM 536 O LYS B 11 -2.168 1.154 -5.522 1.00 10.00 O ATOM 537 CB LYS B 11 -0.953 3.684 -7.269 1.00 10.00 C ATOM 538 CG LYS B 11 -1.513 4.949 -7.932 1.00 10.00 C ATOM 539 CD LYS B 11 -0.717 5.264 -9.202 1.00 10.00 C ATOM 540 CE LYS B 11 -1.282 6.514 -9.881 1.00 10.00 C ATOM 541 NZ LYS B 11 -0.503 6.861 -11.082 1.00 10.00 N ATOM 0 H LYS B 11 -0.388 5.088 -5.353 1.00 10.00 H new ATOM 0 HA LYS B 11 -2.661 3.564 -5.962 1.00 10.00 H new ATOM 0 HB2 LYS B 11 0.129 3.771 -7.171 1.00 10.00 H new ATOM 0 HB3 LYS B 11 -1.147 2.821 -7.906 1.00 10.00 H new ATOM 0 HG2 LYS B 11 -2.565 4.807 -8.177 1.00 10.00 H new ATOM 0 HG3 LYS B 11 -1.458 5.789 -7.239 1.00 10.00 H new ATOM 0 HD2 LYS B 11 0.333 5.419 -8.953 1.00 10.00 H new ATOM 0 HD3 LYS B 11 -0.761 4.417 -9.887 1.00 10.00 H new ATOM 0 HE2 LYS B 11 -2.323 6.344 -10.155 1.00 10.00 H new ATOM 0 HE3 LYS B 11 -1.269 7.349 -9.181 1.00 10.00 H new ATOM 0 HZ1 LYS B 11 -0.906 7.712 -11.524 1.00 10.00 H new ATOM 0 HZ2 LYS B 11 0.485 7.045 -10.814 1.00 10.00 H new ATOM 0 HZ3 LYS B 11 -0.537 6.071 -11.758 1.00 10.00 H new ATOM 555 N TYR B 12 -0.130 1.762 -4.825 1.00 10.00 N ATOM 556 CA TYR B 12 0.187 0.472 -4.226 1.00 10.00 C ATOM 557 C TYR B 12 -0.768 0.148 -3.071 1.00 10.00 C ATOM 558 O TYR B 12 -1.421 -0.891 -3.099 1.00 10.00 O ATOM 559 CB TYR B 12 1.654 0.431 -3.782 1.00 10.00 C ATOM 560 CG TYR B 12 2.035 -0.888 -3.138 1.00 10.00 C ATOM 561 CD1 TYR B 12 2.319 -2.006 -3.944 1.00 10.00 C ATOM 562 CD2 TYR B 12 1.936 -1.041 -1.743 1.00 10.00 C ATOM 563 CE1 TYR B 12 2.520 -3.265 -3.352 1.00 10.00 C ATOM 564 CE2 TYR B 12 2.110 -2.307 -1.155 1.00 10.00 C ATOM 565 CZ TYR B 12 2.409 -3.415 -1.963 1.00 10.00 C ATOM 566 OH TYR B 12 2.565 -4.645 -1.403 1.00 10.00 O ATOM 0 H TYR B 12 0.631 2.439 -4.774 1.00 10.00 H new ATOM 0 HA TYR B 12 0.048 -0.302 -4.981 1.00 10.00 H new ATOM 0 HB2 TYR B 12 2.295 0.608 -4.645 1.00 10.00 H new ATOM 0 HB3 TYR B 12 1.838 1.241 -3.077 1.00 10.00 H new ATOM 0 HD1 TYR B 12 2.382 -1.897 -5.017 1.00 10.00 H new ATOM 0 HD2 TYR B 12 1.726 -0.183 -1.121 1.00 10.00 H new ATOM 0 HE1 TYR B 12 2.760 -4.118 -3.969 1.00 10.00 H new ATOM 0 HE2 TYR B 12 2.014 -2.426 -0.086 1.00 10.00 H new ATOM 0 HH TYR B 12 3.470 -4.725 -1.036 1.00 10.00 H new ATOM 576 N LEU B 13 -0.880 1.039 -2.077 1.00 10.00 N ATOM 577 CA LEU B 13 -1.848 0.927 -0.983 1.00 10.00 C ATOM 578 C LEU B 13 -3.242 0.567 -1.519 1.00 10.00 C ATOM 579 O LEU B 13 -3.825 -0.450 -1.133 1.00 10.00 O ATOM 580 CB LEU B 13 -1.858 2.249 -0.188 1.00 10.00 C ATOM 581 CG LEU B 13 -2.963 2.361 0.877 1.00 10.00 C ATOM 582 CD1 LEU B 13 -2.768 1.350 2.006 1.00 10.00 C ATOM 583 CD2 LEU B 13 -2.966 3.774 1.468 1.00 10.00 C ATOM 0 H LEU B 13 -0.291 1.869 -2.011 1.00 10.00 H new ATOM 0 HA LEU B 13 -1.555 0.119 -0.312 1.00 10.00 H new ATOM 0 HB2 LEU B 13 -0.891 2.369 0.300 1.00 10.00 H new ATOM 0 HB3 LEU B 13 -1.966 3.076 -0.890 1.00 10.00 H new ATOM 0 HG LEU B 13 -3.914 2.149 0.389 1.00 10.00 H new ATOM 0 HD11 LEU B 13 -3.569 1.462 2.737 1.00 10.00 H new ATOM 0 HD12 LEU B 13 -2.788 0.340 1.597 1.00 10.00 H new ATOM 0 HD13 LEU B 13 -1.808 1.526 2.490 1.00 10.00 H new ATOM 0 HD21 LEU B 13 -3.749 3.851 2.222 1.00 10.00 H new ATOM 0 HD22 LEU B 13 -1.999 3.978 1.927 1.00 10.00 H new ATOM 0 HD23 LEU B 13 -3.152 4.499 0.676 1.00 10.00 H new ATOM 595 N GLU B 14 -3.751 1.395 -2.437 1.00 10.00 N ATOM 596 CA GLU B 14 -5.042 1.206 -3.087 1.00 10.00 C ATOM 597 C GLU B 14 -5.180 -0.193 -3.716 1.00 10.00 C ATOM 598 O GLU B 14 -6.108 -0.931 -3.393 1.00 10.00 O ATOM 599 CB GLU B 14 -5.224 2.326 -4.121 1.00 10.00 C ATOM 600 CG GLU B 14 -6.642 2.340 -4.708 1.00 10.00 C ATOM 601 CD GLU B 14 -6.764 3.316 -5.874 1.00 10.00 C ATOM 602 OE1 GLU B 14 -6.447 4.505 -5.660 1.00 10.00 O ATOM 603 OE2 GLU B 14 -7.174 2.848 -6.960 1.00 10.00 O ATOM 0 H GLU B 14 -3.262 2.233 -2.753 1.00 10.00 H new ATOM 0 HA GLU B 14 -5.836 1.264 -2.342 1.00 10.00 H new ATOM 0 HB2 GLU B 14 -5.015 3.288 -3.654 1.00 10.00 H new ATOM 0 HB3 GLU B 14 -4.500 2.198 -4.925 1.00 10.00 H new ATOM 0 HG2 GLU B 14 -6.906 1.337 -5.044 1.00 10.00 H new ATOM 0 HG3 GLU B 14 -7.355 2.613 -3.930 1.00 10.00 H new ATOM 610 N GLN B 15 -4.269 -0.564 -4.621 1.00 10.00 N ATOM 611 CA GLN B 15 -4.308 -1.849 -5.319 1.00 10.00 C ATOM 612 C GLN B 15 -4.198 -3.043 -4.359 1.00 10.00 C ATOM 613 O GLN B 15 -4.960 -4.001 -4.469 1.00 10.00 O ATOM 614 CB GLN B 15 -3.199 -1.891 -6.373 1.00 10.00 C ATOM 615 CG GLN B 15 -3.528 -0.966 -7.555 1.00 10.00 C ATOM 616 CD GLN B 15 -2.319 -0.764 -8.457 1.00 10.00 C ATOM 617 OE1 GLN B 15 -2.282 -1.213 -9.594 1.00 10.00 O ATOM 618 NE2 GLN B 15 -1.312 -0.073 -7.948 1.00 10.00 N ATOM 0 H GLN B 15 -3.480 0.024 -4.890 1.00 10.00 H new ATOM 0 HA GLN B 15 -5.279 -1.936 -5.807 1.00 10.00 H new ATOM 0 HB2 GLN B 15 -2.253 -1.590 -5.923 1.00 10.00 H new ATOM 0 HB3 GLN B 15 -3.071 -2.913 -6.731 1.00 10.00 H new ATOM 0 HG2 GLN B 15 -4.348 -1.391 -8.134 1.00 10.00 H new ATOM 0 HG3 GLN B 15 -3.869 -0.001 -7.180 1.00 10.00 H new ATOM 0 HE21 GLN B 15 -1.371 0.289 -6.996 1.00 10.00 H new ATOM 0 HE22 GLN B 15 -0.476 0.098 -8.507 1.00 10.00 H new ATOM 627 N LEU B 16 -3.257 -2.994 -3.412 1.00 10.00 N ATOM 628 CA LEU B 16 -3.051 -4.048 -2.421 1.00 10.00 C ATOM 629 C LEU B 16 -4.331 -4.255 -1.590 1.00 10.00 C ATOM 630 O LEU B 16 -4.858 -5.367 -1.509 1.00 10.00 O ATOM 631 CB LEU B 16 -1.813 -3.686 -1.577 1.00 10.00 C ATOM 632 CG LEU B 16 -1.061 -4.850 -0.910 1.00 10.00 C ATOM 633 CD1 LEU B 16 -1.934 -5.670 0.037 1.00 10.00 C ATOM 634 CD2 LEU B 16 -0.404 -5.779 -1.936 1.00 10.00 C ATOM 0 H LEU B 16 -2.611 -2.211 -3.313 1.00 10.00 H new ATOM 0 HA LEU B 16 -2.854 -5.008 -2.899 1.00 10.00 H new ATOM 0 HB2 LEU B 16 -1.111 -3.151 -2.217 1.00 10.00 H new ATOM 0 HB3 LEU B 16 -2.126 -2.992 -0.796 1.00 10.00 H new ATOM 0 HG LEU B 16 -0.282 -4.374 -0.315 1.00 10.00 H new ATOM 0 HD11 LEU B 16 -1.342 -6.474 0.473 1.00 10.00 H new ATOM 0 HD12 LEU B 16 -2.313 -5.027 0.831 1.00 10.00 H new ATOM 0 HD13 LEU B 16 -2.771 -6.095 -0.516 1.00 10.00 H new ATOM 0 HD21 LEU B 16 0.115 -6.585 -1.417 1.00 10.00 H new ATOM 0 HD22 LEU B 16 -1.169 -6.200 -2.588 1.00 10.00 H new ATOM 0 HD23 LEU B 16 0.311 -5.213 -2.534 1.00 10.00 H new ATOM 646 N HIS B 17 -4.882 -3.170 -1.032 1.00 10.00 N ATOM 647 CA HIS B 17 -6.181 -3.209 -0.364 1.00 10.00 C ATOM 648 C HIS B 17 -7.281 -3.773 -1.277 1.00 10.00 C ATOM 649 O HIS B 17 -7.998 -4.687 -0.880 1.00 10.00 O ATOM 650 CB HIS B 17 -6.542 -1.808 0.134 1.00 10.00 C ATOM 651 CG HIS B 17 -7.920 -1.716 0.744 1.00 10.00 C ATOM 652 ND1 HIS B 17 -8.600 -2.711 1.419 1.00 10.00 N ATOM 653 CD2 HIS B 17 -8.768 -0.649 0.615 1.00 10.00 C ATOM 654 CE1 HIS B 17 -9.827 -2.238 1.689 1.00 10.00 C ATOM 655 NE2 HIS B 17 -9.979 -0.991 1.218 1.00 10.00 N ATOM 0 H HIS B 17 -4.442 -2.250 -1.032 1.00 10.00 H new ATOM 0 HA HIS B 17 -6.107 -3.885 0.488 1.00 10.00 H new ATOM 0 HB2 HIS B 17 -5.805 -1.494 0.874 1.00 10.00 H new ATOM 0 HB3 HIS B 17 -6.476 -1.108 -0.699 1.00 10.00 H new ATOM 0 HD1 HIS B 17 -8.238 -3.632 1.666 1.00 10.00 H new ATOM 0 HD2 HIS B 17 -8.540 0.290 0.133 1.00 10.00 H new ATOM 0 HE1 HIS B 17 -10.592 -2.789 2.216 1.00 10.00 H new ATOM 663 N ARG B 18 -7.421 -3.243 -2.496 1.00 10.00 N ATOM 664 CA ARG B 18 -8.407 -3.707 -3.472 1.00 10.00 C ATOM 665 C ARG B 18 -8.311 -5.221 -3.710 1.00 10.00 C ATOM 666 O ARG B 18 -9.323 -5.919 -3.663 1.00 10.00 O ATOM 667 CB ARG B 18 -8.259 -2.907 -4.773 1.00 10.00 C ATOM 668 CG ARG B 18 -9.296 -3.322 -5.826 1.00 10.00 C ATOM 669 CD ARG B 18 -9.179 -2.452 -7.081 1.00 10.00 C ATOM 670 NE ARG B 18 -9.604 -1.068 -6.805 1.00 10.00 N ATOM 671 CZ ARG B 18 -8.896 0.056 -6.975 1.00 10.00 C ATOM 672 NH1 ARG B 18 -7.642 0.057 -7.417 1.00 10.00 N ATOM 673 NH2 ARG B 18 -9.458 1.226 -6.698 1.00 10.00 N ATOM 0 H ARG B 18 -6.846 -2.472 -2.835 1.00 10.00 H new ATOM 0 HA ARG B 18 -9.405 -3.530 -3.070 1.00 10.00 H new ATOM 0 HB2 ARG B 18 -8.366 -1.844 -4.559 1.00 10.00 H new ATOM 0 HB3 ARG B 18 -7.256 -3.052 -5.175 1.00 10.00 H new ATOM 0 HG2 ARG B 18 -9.153 -4.370 -6.090 1.00 10.00 H new ATOM 0 HG3 ARG B 18 -10.299 -3.233 -5.409 1.00 10.00 H new ATOM 0 HD2 ARG B 18 -8.148 -2.456 -7.436 1.00 10.00 H new ATOM 0 HD3 ARG B 18 -9.792 -2.873 -7.878 1.00 10.00 H new ATOM 0 HE ARG B 18 -10.550 -0.953 -6.441 1.00 10.00 H new ATOM 0 HH11 ARG B 18 -7.180 -0.824 -7.642 1.00 10.00 H new ATOM 0 HH12 ARG B 18 -7.142 0.939 -7.531 1.00 10.00 H new ATOM 0 HH21 ARG B 18 -10.419 1.263 -6.359 1.00 10.00 H new ATOM 0 HH22 ARG B 18 -8.928 2.089 -6.824 1.00 10.00 H new ATOM 687 N LYS B 19 -7.106 -5.745 -3.949 1.00 10.00 N ATOM 688 CA LYS B 19 -6.872 -7.182 -4.073 1.00 10.00 C ATOM 689 C LYS B 19 -7.377 -7.936 -2.835 1.00 10.00 C ATOM 690 O LYS B 19 -8.173 -8.868 -2.952 1.00 10.00 O ATOM 691 CB LYS B 19 -5.379 -7.429 -4.324 1.00 10.00 C ATOM 692 CG LYS B 19 -5.069 -8.926 -4.473 1.00 10.00 C ATOM 693 CD LYS B 19 -3.604 -9.180 -4.862 1.00 10.00 C ATOM 694 CE LYS B 19 -2.594 -8.568 -3.883 1.00 10.00 C ATOM 695 NZ LYS B 19 -2.839 -8.997 -2.494 1.00 10.00 N ATOM 0 H LYS B 19 -6.264 -5.181 -4.062 1.00 10.00 H new ATOM 0 HA LYS B 19 -7.437 -7.568 -4.922 1.00 10.00 H new ATOM 0 HB2 LYS B 19 -5.069 -6.902 -5.226 1.00 10.00 H new ATOM 0 HB3 LYS B 19 -4.798 -7.017 -3.499 1.00 10.00 H new ATOM 0 HG2 LYS B 19 -5.287 -9.436 -3.535 1.00 10.00 H new ATOM 0 HG3 LYS B 19 -5.724 -9.357 -5.230 1.00 10.00 H new ATOM 0 HD2 LYS B 19 -3.434 -10.255 -4.922 1.00 10.00 H new ATOM 0 HD3 LYS B 19 -3.425 -8.773 -5.857 1.00 10.00 H new ATOM 0 HE2 LYS B 19 -1.585 -8.855 -4.178 1.00 10.00 H new ATOM 0 HE3 LYS B 19 -2.647 -7.481 -3.941 1.00 10.00 H new ATOM 0 HZ1 LYS B 19 -2.067 -8.658 -1.885 1.00 10.00 H new ATOM 0 HZ2 LYS B 19 -3.742 -8.601 -2.162 1.00 10.00 H new ATOM 0 HZ3 LYS B 19 -2.881 -10.035 -2.454 1.00 10.00 H new ATOM 709 N LEU B 20 -6.935 -7.531 -1.642 1.00 10.00 N ATOM 710 CA LEU B 20 -7.365 -8.163 -0.393 1.00 10.00 C ATOM 711 C LEU B 20 -8.877 -8.030 -0.140 1.00 10.00 C ATOM 712 O LEU B 20 -9.481 -8.901 0.478 1.00 10.00 O ATOM 713 CB LEU B 20 -6.550 -7.604 0.776 1.00 10.00 C ATOM 714 CG LEU B 20 -5.052 -7.934 0.668 1.00 10.00 C ATOM 715 CD1 LEU B 20 -4.319 -7.133 1.742 1.00 10.00 C ATOM 716 CD2 LEU B 20 -4.764 -9.427 0.864 1.00 10.00 C ATOM 0 H LEU B 20 -6.275 -6.763 -1.515 1.00 10.00 H new ATOM 0 HA LEU B 20 -7.175 -9.233 -0.484 1.00 10.00 H new ATOM 0 HB2 LEU B 20 -6.677 -6.522 0.818 1.00 10.00 H new ATOM 0 HB3 LEU B 20 -6.940 -8.007 1.711 1.00 10.00 H new ATOM 0 HG LEU B 20 -4.711 -7.673 -0.334 1.00 10.00 H new ATOM 0 HD11 LEU B 20 -3.251 -7.347 1.690 1.00 10.00 H new ATOM 0 HD12 LEU B 20 -4.484 -6.068 1.578 1.00 10.00 H new ATOM 0 HD13 LEU B 20 -4.697 -7.412 2.725 1.00 10.00 H new ATOM 0 HD21 LEU B 20 -3.692 -9.605 0.778 1.00 10.00 H new ATOM 0 HD22 LEU B 20 -5.105 -9.737 1.852 1.00 10.00 H new ATOM 0 HD23 LEU B 20 -5.290 -10.002 0.102 1.00 10.00 H new ATOM 728 N LYS B 21 -9.513 -6.963 -0.627 1.00 10.00 N ATOM 729 CA LYS B 21 -10.966 -6.841 -0.622 1.00 10.00 C ATOM 730 C LYS B 21 -11.596 -7.882 -1.562 1.00 10.00 C ATOM 731 O LYS B 21 -12.426 -8.685 -1.139 1.00 10.00 O ATOM 732 CB LYS B 21 -11.350 -5.399 -0.984 1.00 10.00 C ATOM 733 CG LYS B 21 -12.836 -5.125 -0.730 1.00 10.00 C ATOM 734 CD LYS B 21 -13.137 -3.650 -1.017 1.00 10.00 C ATOM 735 CE LYS B 21 -14.614 -3.350 -0.752 1.00 10.00 C ATOM 736 NZ LYS B 21 -14.921 -1.933 -1.013 1.00 10.00 N ATOM 0 H LYS B 21 -9.033 -6.161 -1.035 1.00 10.00 H new ATOM 0 HA LYS B 21 -11.360 -7.050 0.373 1.00 10.00 H new ATOM 0 HB2 LYS B 21 -10.747 -4.705 -0.399 1.00 10.00 H new ATOM 0 HB3 LYS B 21 -11.121 -5.214 -2.033 1.00 10.00 H new ATOM 0 HG2 LYS B 21 -13.449 -5.763 -1.366 1.00 10.00 H new ATOM 0 HG3 LYS B 21 -13.090 -5.366 0.302 1.00 10.00 H new ATOM 0 HD2 LYS B 21 -12.511 -3.015 -0.390 1.00 10.00 H new ATOM 0 HD3 LYS B 21 -12.891 -3.416 -2.053 1.00 10.00 H new ATOM 0 HE2 LYS B 21 -15.236 -3.983 -1.385 1.00 10.00 H new ATOM 0 HE3 LYS B 21 -14.858 -3.594 0.282 1.00 10.00 H new ATOM 0 HZ1 LYS B 21 -15.929 -1.756 -0.826 1.00 10.00 H new ATOM 0 HZ2 LYS B 21 -14.343 -1.332 -0.392 1.00 10.00 H new ATOM 0 HZ3 LYS B 21 -14.709 -1.709 -2.006 1.00 10.00 H new ATOM 750 N ASN B 22 -11.173 -7.899 -2.831 1.00 10.00 N ATOM 751 CA ASN B 22 -11.659 -8.838 -3.847 1.00 10.00 C ATOM 752 C ASN B 22 -11.443 -10.309 -3.458 1.00 10.00 C ATOM 753 O ASN B 22 -12.270 -11.155 -3.787 1.00 10.00 O ATOM 754 CB ASN B 22 -11.030 -8.521 -5.211 1.00 10.00 C ATOM 755 CG ASN B 22 -11.723 -7.350 -5.899 1.00 10.00 C ATOM 756 OD1 ASN B 22 -12.560 -7.537 -6.772 1.00 10.00 O ATOM 757 ND2 ASN B 22 -11.397 -6.122 -5.529 1.00 10.00 N ATOM 0 H ASN B 22 -10.471 -7.249 -3.186 1.00 10.00 H new ATOM 0 HA ASN B 22 -12.738 -8.703 -3.917 1.00 10.00 H new ATOM 0 HB2 ASN B 22 -9.973 -8.290 -5.078 1.00 10.00 H new ATOM 0 HB3 ASN B 22 -11.086 -9.402 -5.850 1.00 10.00 H new ATOM 0 HD21 ASN B 22 -11.845 -5.320 -5.972 1.00 10.00 H new ATOM 0 HD22 ASN B 22 -10.698 -5.978 -4.800 1.00 10.00 H new ATOM 914 N PRO C 7 5.958 6.084 5.422 1.00 10.00 N ATOM 915 CA PRO C 7 6.952 5.022 5.250 1.00 10.00 C ATOM 916 C PRO C 7 6.733 3.804 6.160 1.00 10.00 C ATOM 917 O PRO C 7 6.951 2.667 5.747 1.00 10.00 O ATOM 918 CB PRO C 7 8.304 5.688 5.518 1.00 10.00 C ATOM 919 CG PRO C 7 8.065 7.124 5.058 1.00 10.00 C ATOM 920 CD PRO C 7 6.616 7.382 5.472 1.00 10.00 C ATOM 0 HA PRO C 7 6.882 4.605 4.245 1.00 10.00 H new ATOM 0 HB2 PRO C 7 8.578 5.640 6.572 1.00 10.00 H new ATOM 0 HB3 PRO C 7 9.109 5.212 4.958 1.00 10.00 H new ATOM 0 HG2 PRO C 7 8.752 7.821 5.538 1.00 10.00 H new ATOM 0 HG3 PRO C 7 8.202 7.231 3.982 1.00 10.00 H new ATOM 0 HD2 PRO C 7 6.565 7.809 6.473 1.00 10.00 H new ATOM 0 HD3 PRO C 7 6.136 8.091 4.798 1.00 10.00 H new ATOM 928 N GLY C 8 6.266 4.040 7.393 1.00 10.00 N ATOM 929 CA GLY C 8 5.834 3.000 8.324 1.00 10.00 C ATOM 930 C GLY C 8 4.928 1.936 7.687 1.00 10.00 C ATOM 931 O GLY C 8 5.073 0.753 7.980 1.00 10.00 O ATOM 0 H GLY C 8 6.178 4.981 7.775 1.00 10.00 H new ATOM 0 HA2 GLY C 8 6.714 2.511 8.742 1.00 10.00 H new ATOM 0 HA3 GLY C 8 5.303 3.466 9.154 1.00 10.00 H new ATOM 935 N PHE C 9 4.007 2.337 6.802 1.00 10.00 N ATOM 936 CA PHE C 9 3.179 1.400 6.046 1.00 10.00 C ATOM 937 C PHE C 9 4.035 0.486 5.156 1.00 10.00 C ATOM 938 O PHE C 9 3.936 -0.737 5.232 1.00 10.00 O ATOM 939 CB PHE C 9 2.146 2.169 5.214 1.00 10.00 C ATOM 940 CG PHE C 9 1.404 1.303 4.218 1.00 10.00 C ATOM 941 CD1 PHE C 9 0.687 0.183 4.668 1.00 10.00 C ATOM 942 CD2 PHE C 9 1.571 1.514 2.835 1.00 10.00 C ATOM 943 CE1 PHE C 9 0.087 -0.690 3.745 1.00 10.00 C ATOM 944 CE2 PHE C 9 0.960 0.650 1.912 1.00 10.00 C ATOM 945 CZ PHE C 9 0.222 -0.455 2.365 1.00 10.00 C ATOM 0 H PHE C 9 3.818 3.317 6.593 1.00 10.00 H new ATOM 0 HA PHE C 9 2.653 0.759 6.753 1.00 10.00 H new ATOM 0 HB2 PHE C 9 1.425 2.635 5.886 1.00 10.00 H new ATOM 0 HB3 PHE C 9 2.649 2.974 4.679 1.00 10.00 H new ATOM 0 HD1 PHE C 9 0.596 -0.008 5.727 1.00 10.00 H new ATOM 0 HD2 PHE C 9 2.170 2.342 2.484 1.00 10.00 H new ATOM 0 HE1 PHE C 9 -0.478 -1.541 4.095 1.00 10.00 H new ATOM 0 HE2 PHE C 9 1.058 0.836 0.853 1.00 10.00 H new ATOM 0 HZ PHE C 9 -0.241 -1.124 1.655 1.00 10.00 H new ATOM 955 N THR C 10 4.901 1.071 4.326 1.00 10.00 N ATOM 956 CA THR C 10 5.832 0.327 3.481 1.00 10.00 C ATOM 957 C THR C 10 6.683 -0.641 4.313 1.00 10.00 C ATOM 958 O THR C 10 6.824 -1.815 3.973 1.00 10.00 O ATOM 959 CB THR C 10 6.714 1.315 2.701 1.00 10.00 C ATOM 960 OG1 THR C 10 5.905 2.342 2.164 1.00 10.00 O ATOM 961 CG2 THR C 10 7.440 0.621 1.547 1.00 10.00 C ATOM 0 H THR C 10 4.975 2.083 4.222 1.00 10.00 H new ATOM 0 HA THR C 10 5.264 -0.275 2.772 1.00 10.00 H new ATOM 0 HB THR C 10 7.453 1.722 3.391 1.00 10.00 H new ATOM 0 HG1 THR C 10 6.466 2.974 1.668 1.00 10.00 H new ATOM 0 HG21 THR C 10 8.055 1.347 1.015 1.00 10.00 H new ATOM 0 HG22 THR C 10 8.074 -0.173 1.941 1.00 10.00 H new ATOM 0 HG23 THR C 10 6.708 0.194 0.861 1.00 10.00 H new ATOM 969 N ALA C 11 7.233 -0.155 5.430 1.00 10.00 N ATOM 970 CA ALA C 11 7.995 -0.967 6.373 1.00 10.00 C ATOM 971 C ALA C 11 7.156 -2.119 6.958 1.00 10.00 C ATOM 972 O ALA C 11 7.609 -3.266 7.000 1.00 10.00 O ATOM 973 CB ALA C 11 8.572 -0.053 7.456 1.00 10.00 C ATOM 0 H ALA C 11 7.159 0.825 5.704 1.00 10.00 H new ATOM 0 HA ALA C 11 8.818 -1.451 5.847 1.00 10.00 H new ATOM 0 HB1 ALA C 11 9.144 -0.648 8.168 1.00 10.00 H new ATOM 0 HB2 ALA C 11 9.225 0.689 6.996 1.00 10.00 H new ATOM 0 HB3 ALA C 11 7.759 0.452 7.977 1.00 10.00 H new ATOM 979 N LEU C 12 5.916 -1.837 7.377 1.00 10.00 N ATOM 980 CA LEU C 12 4.953 -2.862 7.774 1.00 10.00 C ATOM 981 C LEU C 12 4.789 -3.910 6.671 1.00 10.00 C ATOM 982 O LEU C 12 5.032 -5.080 6.923 1.00 10.00 O ATOM 983 CB LEU C 12 3.618 -2.231 8.203 1.00 10.00 C ATOM 984 CG LEU C 12 2.616 -3.268 8.750 1.00 10.00 C ATOM 985 CD1 LEU C 12 1.732 -2.611 9.813 1.00 10.00 C ATOM 986 CD2 LEU C 12 1.702 -3.839 7.655 1.00 10.00 C ATOM 0 H LEU C 12 5.555 -0.886 7.449 1.00 10.00 H new ATOM 0 HA LEU C 12 5.341 -3.385 8.648 1.00 10.00 H new ATOM 0 HB2 LEU C 12 3.807 -1.477 8.967 1.00 10.00 H new ATOM 0 HB3 LEU C 12 3.173 -1.717 7.351 1.00 10.00 H new ATOM 0 HG LEU C 12 3.202 -4.086 9.168 1.00 10.00 H new ATOM 0 HD11 LEU C 12 1.023 -3.343 10.200 1.00 10.00 H new ATOM 0 HD12 LEU C 12 2.355 -2.243 10.628 1.00 10.00 H new ATOM 0 HD13 LEU C 12 1.187 -1.778 9.369 1.00 10.00 H new ATOM 0 HD21 LEU C 12 1.017 -4.564 8.094 1.00 10.00 H new ATOM 0 HD22 LEU C 12 1.131 -3.030 7.199 1.00 10.00 H new ATOM 0 HD23 LEU C 12 2.309 -4.329 6.894 1.00 10.00 H new ATOM 998 N ILE C 13 4.425 -3.512 5.449 1.00 10.00 N ATOM 999 CA ILE C 13 4.283 -4.421 4.306 1.00 10.00 C ATOM 1000 C ILE C 13 5.532 -5.297 4.110 1.00 10.00 C ATOM 1001 O ILE C 13 5.437 -6.524 4.064 1.00 10.00 O ATOM 1002 CB ILE C 13 3.941 -3.609 3.040 1.00 10.00 C ATOM 1003 CG1 ILE C 13 2.516 -3.028 3.098 1.00 10.00 C ATOM 1004 CG2 ILE C 13 4.147 -4.411 1.747 1.00 10.00 C ATOM 1005 CD1 ILE C 13 1.394 -4.053 2.883 1.00 10.00 C ATOM 0 H ILE C 13 4.218 -2.539 5.222 1.00 10.00 H new ATOM 0 HA ILE C 13 3.462 -5.109 4.508 1.00 10.00 H new ATOM 0 HB ILE C 13 4.646 -2.778 3.020 1.00 10.00 H new ATOM 0 HG12 ILE C 13 2.372 -2.551 4.068 1.00 10.00 H new ATOM 0 HG13 ILE C 13 2.426 -2.248 2.342 1.00 10.00 H new ATOM 0 HG21 ILE C 13 3.891 -3.790 0.889 1.00 10.00 H new ATOM 0 HG22 ILE C 13 5.190 -4.720 1.673 1.00 10.00 H new ATOM 0 HG23 ILE C 13 3.507 -5.293 1.760 1.00 10.00 H new ATOM 0 HD11 ILE C 13 0.428 -3.552 2.941 1.00 10.00 H new ATOM 0 HD12 ILE C 13 1.505 -4.514 1.902 1.00 10.00 H new ATOM 0 HD13 ILE C 13 1.451 -4.822 3.653 1.00 10.00 H new ATOM 1017 N LYS C 14 6.710 -4.675 4.013 1.00 10.00 N ATOM 1018 CA LYS C 14 7.976 -5.395 3.885 1.00 10.00 C ATOM 1019 C LYS C 14 8.144 -6.439 5.000 1.00 10.00 C ATOM 1020 O LYS C 14 8.394 -7.613 4.729 1.00 10.00 O ATOM 1021 CB LYS C 14 9.139 -4.395 3.874 1.00 10.00 C ATOM 1022 CG LYS C 14 9.191 -3.620 2.549 1.00 10.00 C ATOM 1023 CD LYS C 14 10.186 -2.453 2.602 1.00 10.00 C ATOM 1024 CE LYS C 14 11.628 -2.930 2.801 1.00 10.00 C ATOM 1025 NZ LYS C 14 12.573 -1.803 2.709 1.00 10.00 N ATOM 0 H LYS C 14 6.811 -3.660 4.021 1.00 10.00 H new ATOM 0 HA LYS C 14 7.974 -5.940 2.941 1.00 10.00 H new ATOM 0 HB2 LYS C 14 9.029 -3.696 4.703 1.00 10.00 H new ATOM 0 HB3 LYS C 14 10.079 -4.925 4.026 1.00 10.00 H new ATOM 0 HG2 LYS C 14 9.471 -4.299 1.743 1.00 10.00 H new ATOM 0 HG3 LYS C 14 8.198 -3.238 2.313 1.00 10.00 H new ATOM 0 HD2 LYS C 14 10.119 -1.879 1.678 1.00 10.00 H new ATOM 0 HD3 LYS C 14 9.912 -1.781 3.415 1.00 10.00 H new ATOM 0 HE2 LYS C 14 11.725 -3.412 3.774 1.00 10.00 H new ATOM 0 HE3 LYS C 14 11.875 -3.679 2.048 1.00 10.00 H new ATOM 0 HZ1 LYS C 14 13.543 -2.151 2.847 1.00 10.00 H new ATOM 0 HZ2 LYS C 14 12.494 -1.360 1.771 1.00 10.00 H new ATOM 0 HZ3 LYS C 14 12.349 -1.101 3.443 1.00 10.00 H new ATOM 1039 N THR C 15 7.983 -6.028 6.260 1.00 10.00 N ATOM 1040 CA THR C 15 8.094 -6.946 7.397 1.00 10.00 C ATOM 1041 C THR C 15 6.982 -8.007 7.446 1.00 10.00 C ATOM 1042 O THR C 15 7.236 -9.137 7.854 1.00 10.00 O ATOM 1043 CB THR C 15 8.276 -6.192 8.722 1.00 10.00 C ATOM 1044 OG1 THR C 15 7.277 -5.216 8.943 1.00 10.00 O ATOM 1045 CG2 THR C 15 9.643 -5.502 8.719 1.00 10.00 C ATOM 0 H THR C 15 7.775 -5.064 6.519 1.00 10.00 H new ATOM 0 HA THR C 15 9.007 -7.520 7.237 1.00 10.00 H new ATOM 0 HB THR C 15 8.199 -6.927 9.523 1.00 10.00 H new ATOM 0 HG1 THR C 15 7.410 -4.467 8.326 1.00 10.00 H new ATOM 0 HG21 THR C 15 9.781 -4.964 9.657 1.00 10.00 H new ATOM 0 HG22 THR C 15 10.428 -6.250 8.611 1.00 10.00 H new ATOM 0 HG23 THR C 15 9.694 -4.800 7.887 1.00 10.00 H new ATOM 1053 N LEU C 16 5.772 -7.693 6.979 1.00 10.00 N ATOM 1054 CA LEU C 16 4.656 -8.628 6.824 1.00 10.00 C ATOM 1055 C LEU C 16 5.012 -9.734 5.819 1.00 10.00 C ATOM 1056 O LEU C 16 4.797 -10.924 6.069 1.00 10.00 O ATOM 1057 CB LEU C 16 3.402 -7.823 6.429 1.00 10.00 C ATOM 1058 CG LEU C 16 2.074 -8.575 6.621 1.00 10.00 C ATOM 1059 CD1 LEU C 16 0.971 -7.604 7.057 1.00 10.00 C ATOM 1060 CD2 LEU C 16 1.636 -9.232 5.310 1.00 10.00 C ATOM 0 H LEU C 16 5.534 -6.745 6.688 1.00 10.00 H new ATOM 0 HA LEU C 16 4.446 -9.142 7.762 1.00 10.00 H new ATOM 0 HB2 LEU C 16 3.374 -6.906 7.018 1.00 10.00 H new ATOM 0 HB3 LEU C 16 3.490 -7.528 5.383 1.00 10.00 H new ATOM 0 HG LEU C 16 2.230 -9.336 7.386 1.00 10.00 H new ATOM 0 HD11 LEU C 16 0.037 -8.150 7.189 1.00 10.00 H new ATOM 0 HD12 LEU C 16 1.252 -7.133 7.999 1.00 10.00 H new ATOM 0 HD13 LEU C 16 0.838 -6.837 6.293 1.00 10.00 H new ATOM 0 HD21 LEU C 16 0.695 -9.760 5.464 1.00 10.00 H new ATOM 0 HD22 LEU C 16 1.502 -8.466 4.546 1.00 10.00 H new ATOM 0 HD23 LEU C 16 2.399 -9.939 4.985 1.00 10.00 H new ATOM 1072 N ARG C 17 5.613 -9.344 4.690 1.00 10.00 N ATOM 1073 CA ARG C 17 6.185 -10.287 3.737 1.00 10.00 C ATOM 1074 C ARG C 17 7.361 -11.082 4.329 1.00 10.00 C ATOM 1075 O ARG C 17 7.393 -12.303 4.207 1.00 10.00 O ATOM 1076 CB ARG C 17 6.540 -9.556 2.438 1.00 10.00 C ATOM 1077 CG ARG C 17 7.241 -10.488 1.440 1.00 10.00 C ATOM 1078 CD ARG C 17 6.957 -10.044 0.003 1.00 10.00 C ATOM 1079 NE ARG C 17 5.595 -10.438 -0.391 1.00 10.00 N ATOM 1080 CZ ARG C 17 4.957 -10.051 -1.500 1.00 10.00 C ATOM 1081 NH1 ARG C 17 5.504 -9.170 -2.333 1.00 10.00 N ATOM 1082 NH2 ARG C 17 3.762 -10.561 -1.784 1.00 10.00 N ATOM 0 H ARG C 17 5.714 -8.367 4.416 1.00 10.00 H new ATOM 0 HA ARG C 17 5.435 -11.041 3.500 1.00 10.00 H new ATOM 0 HB2 ARG C 17 5.633 -9.154 1.986 1.00 10.00 H new ATOM 0 HB3 ARG C 17 7.187 -8.708 2.662 1.00 10.00 H new ATOM 0 HG2 ARG C 17 8.316 -10.484 1.623 1.00 10.00 H new ATOM 0 HG3 ARG C 17 6.897 -11.512 1.586 1.00 10.00 H new ATOM 0 HD2 ARG C 17 7.069 -8.963 -0.080 1.00 10.00 H new ATOM 0 HD3 ARG C 17 7.684 -10.493 -0.674 1.00 10.00 H new ATOM 0 HE ARG C 17 5.092 -11.063 0.239 1.00 10.00 H new ATOM 0 HH11 ARG C 17 6.424 -8.779 -2.130 1.00 10.00 H new ATOM 0 HH12 ARG C 17 5.004 -8.885 -3.175 1.00 10.00 H new ATOM 0 HH21 ARG C 17 3.337 -11.244 -1.157 1.00 10.00 H new ATOM 0 HH22 ARG C 17 3.271 -10.269 -2.629 1.00 10.00 H new ATOM 1096 N LYS C 18 8.318 -10.434 5.000 1.00 10.00 N ATOM 1097 CA LYS C 18 9.443 -11.139 5.629 1.00 10.00 C ATOM 1098 C LYS C 18 9.006 -12.102 6.749 1.00 10.00 C ATOM 1099 O LYS C 18 9.609 -13.156 6.921 1.00 10.00 O ATOM 1100 CB LYS C 18 10.501 -10.140 6.106 1.00 10.00 C ATOM 1101 CG LYS C 18 11.183 -9.469 4.906 1.00 10.00 C ATOM 1102 CD LYS C 18 12.135 -8.363 5.375 1.00 10.00 C ATOM 1103 CE LYS C 18 12.934 -7.787 4.200 1.00 10.00 C ATOM 1104 NZ LYS C 18 12.056 -7.163 3.194 1.00 10.00 N ATOM 0 H LYS C 18 8.338 -9.422 5.123 1.00 10.00 H new ATOM 0 HA LYS C 18 9.892 -11.774 4.865 1.00 10.00 H new ATOM 0 HB2 LYS C 18 10.037 -9.383 6.738 1.00 10.00 H new ATOM 0 HB3 LYS C 18 11.245 -10.652 6.716 1.00 10.00 H new ATOM 0 HG2 LYS C 18 11.736 -10.213 4.332 1.00 10.00 H new ATOM 0 HG3 LYS C 18 10.429 -9.049 4.240 1.00 10.00 H new ATOM 0 HD2 LYS C 18 11.565 -7.568 5.856 1.00 10.00 H new ATOM 0 HD3 LYS C 18 12.820 -8.762 6.124 1.00 10.00 H new ATOM 0 HE2 LYS C 18 13.644 -7.048 4.571 1.00 10.00 H new ATOM 0 HE3 LYS C 18 13.516 -8.581 3.732 1.00 10.00 H new ATOM 0 HZ1 LYS C 18 12.599 -6.469 2.642 1.00 10.00 H new ATOM 0 HZ2 LYS C 18 11.682 -7.895 2.557 1.00 10.00 H new ATOM 0 HZ3 LYS C 18 11.266 -6.684 3.672 1.00 10.00 H new ATOM 1118 N CYS C 19 7.930 -11.784 7.477 1.00 10.00 N ATOM 1119 CA CYS C 19 7.263 -12.703 8.405 1.00 10.00 C ATOM 1120 C CYS C 19 6.428 -13.784 7.675 1.00 10.00 C ATOM 1121 O CYS C 19 5.787 -14.613 8.313 1.00 10.00 O ATOM 1122 CB CYS C 19 6.429 -11.873 9.392 1.00 10.00 C ATOM 1123 SG CYS C 19 5.680 -12.745 10.800 1.00 10.00 S ATOM 0 H CYS C 19 7.491 -10.864 7.437 1.00 10.00 H new ATOM 0 HA CYS C 19 8.015 -13.265 8.958 1.00 10.00 H new ATOM 0 HB2 CYS C 19 7.065 -11.081 9.787 1.00 10.00 H new ATOM 0 HB3 CYS C 19 5.629 -11.389 8.832 1.00 10.00 H new ATOM 0 HG CYS C 19 5.397 -13.966 10.454 1.00 10.00 H new ATOM 1278 N ILE D 7 -3.898 8.624 17.082 1.00 10.00 N ATOM 1279 CA ILE D 7 -2.892 8.068 17.985 1.00 10.00 C ATOM 1280 C ILE D 7 -3.033 6.544 18.127 1.00 10.00 C ATOM 1281 O ILE D 7 -2.038 5.828 18.044 1.00 10.00 O ATOM 1282 CB ILE D 7 -2.861 8.821 19.331 1.00 10.00 C ATOM 1283 CG1 ILE D 7 -4.194 8.754 20.096 1.00 10.00 C ATOM 1284 CG2 ILE D 7 -2.451 10.282 19.090 1.00 10.00 C ATOM 1285 CD1 ILE D 7 -4.121 9.403 21.481 1.00 10.00 C ATOM 0 HA ILE D 7 -1.911 8.227 17.537 1.00 10.00 H new ATOM 0 HB ILE D 7 -2.125 8.323 19.963 1.00 10.00 H new ATOM 0 HG12 ILE D 7 -4.969 9.248 19.509 1.00 10.00 H new ATOM 0 HG13 ILE D 7 -4.493 7.711 20.204 1.00 10.00 H new ATOM 0 HG21 ILE D 7 -2.429 10.815 20.040 1.00 10.00 H new ATOM 0 HG22 ILE D 7 -1.461 10.312 18.634 1.00 10.00 H new ATOM 0 HG23 ILE D 7 -3.172 10.757 18.424 1.00 10.00 H new ATOM 0 HD11 ILE D 7 -5.091 9.324 21.971 1.00 10.00 H new ATOM 0 HD12 ILE D 7 -3.368 8.893 22.082 1.00 10.00 H new ATOM 0 HD13 ILE D 7 -3.852 10.454 21.377 1.00 10.00 H new ATOM 1297 N GLU D 8 -4.263 6.037 18.273 1.00 10.00 N ATOM 1298 CA GLU D 8 -4.541 4.604 18.299 1.00 10.00 C ATOM 1299 C GLU D 8 -4.005 3.902 17.040 1.00 10.00 C ATOM 1300 O GLU D 8 -3.234 2.950 17.137 1.00 10.00 O ATOM 1301 CB GLU D 8 -6.052 4.408 18.478 1.00 10.00 C ATOM 1302 CG GLU D 8 -6.435 2.924 18.590 1.00 10.00 C ATOM 1303 CD GLU D 8 -7.934 2.750 18.813 1.00 10.00 C ATOM 1304 OE1 GLU D 8 -8.673 2.883 17.815 1.00 10.00 O ATOM 1305 OE2 GLU D 8 -8.309 2.494 19.978 1.00 10.00 O ATOM 0 H GLU D 8 -5.096 6.617 18.377 1.00 10.00 H new ATOM 0 HA GLU D 8 -4.021 4.141 19.138 1.00 10.00 H new ATOM 0 HB2 GLU D 8 -6.382 4.935 19.373 1.00 10.00 H new ATOM 0 HB3 GLU D 8 -6.577 4.854 17.634 1.00 10.00 H new ATOM 0 HG2 GLU D 8 -6.138 2.401 17.681 1.00 10.00 H new ATOM 0 HG3 GLU D 8 -5.888 2.467 19.414 1.00 10.00 H new ATOM 1312 N ALA D 9 -4.396 4.380 15.855 1.00 10.00 N ATOM 1313 CA ALA D 9 -3.964 3.827 14.576 1.00 10.00 C ATOM 1314 C ALA D 9 -2.438 3.873 14.409 1.00 10.00 C ATOM 1315 O ALA D 9 -1.834 2.881 14.007 1.00 10.00 O ATOM 1316 CB ALA D 9 -4.685 4.559 13.442 1.00 10.00 C ATOM 0 H ALA D 9 -5.030 5.173 15.760 1.00 10.00 H new ATOM 0 HA ALA D 9 -4.233 2.771 14.544 1.00 10.00 H new ATOM 0 HB1 ALA D 9 -4.366 4.149 12.484 1.00 10.00 H new ATOM 0 HB2 ALA D 9 -5.762 4.429 13.552 1.00 10.00 H new ATOM 0 HB3 ALA D 9 -4.442 5.621 13.482 1.00 10.00 H new ATOM 1322 N ARG D 10 -1.804 5.004 14.738 1.00 10.00 N ATOM 1323 CA ARG D 10 -0.347 5.141 14.732 1.00 10.00 C ATOM 1324 C ARG D 10 0.337 4.131 15.664 1.00 10.00 C ATOM 1325 O ARG D 10 1.224 3.386 15.242 1.00 10.00 O ATOM 1326 CB ARG D 10 0.039 6.576 15.117 1.00 10.00 C ATOM 1327 CG ARG D 10 -0.262 7.605 14.014 1.00 10.00 C ATOM 1328 CD ARG D 10 0.470 7.339 12.697 1.00 10.00 C ATOM 1329 NE ARG D 10 1.901 7.070 12.891 1.00 10.00 N ATOM 1330 CZ ARG D 10 2.737 6.718 11.914 1.00 10.00 C ATOM 1331 NH1 ARG D 10 2.399 6.873 10.635 1.00 10.00 N ATOM 1332 NH2 ARG D 10 3.920 6.198 12.227 1.00 10.00 N ATOM 0 H ARG D 10 -2.293 5.855 15.017 1.00 10.00 H new ATOM 0 HA ARG D 10 0.003 4.926 13.722 1.00 10.00 H new ATOM 0 HB2 ARG D 10 -0.497 6.858 16.023 1.00 10.00 H new ATOM 0 HB3 ARG D 10 1.103 6.608 15.353 1.00 10.00 H new ATOM 0 HG2 ARG D 10 -1.335 7.616 13.825 1.00 10.00 H new ATOM 0 HG3 ARG D 10 0.009 8.598 14.374 1.00 10.00 H new ATOM 0 HD2 ARG D 10 0.009 6.489 12.195 1.00 10.00 H new ATOM 0 HD3 ARG D 10 0.352 8.200 12.039 1.00 10.00 H new ATOM 0 HE ARG D 10 2.279 7.158 13.834 1.00 10.00 H new ATOM 0 HH11 ARG D 10 1.490 7.266 10.392 1.00 10.00 H new ATOM 0 HH12 ARG D 10 3.050 6.599 9.899 1.00 10.00 H new ATOM 0 HH21 ARG D 10 4.179 6.072 13.206 1.00 10.00 H new ATOM 0 HH22 ARG D 10 4.568 5.925 11.489 1.00 10.00 H new ATOM 1346 N LYS D 11 -0.072 4.085 16.934 1.00 10.00 N ATOM 1347 CA LYS D 11 0.480 3.132 17.890 1.00 10.00 C ATOM 1348 C LYS D 11 0.271 1.685 17.421 1.00 10.00 C ATOM 1349 O LYS D 11 1.214 0.895 17.444 1.00 10.00 O ATOM 1350 CB LYS D 11 -0.103 3.386 19.285 1.00 10.00 C ATOM 1351 CG LYS D 11 0.424 4.712 19.852 1.00 10.00 C ATOM 1352 CD LYS D 11 -0.173 4.971 21.240 1.00 10.00 C ATOM 1353 CE LYS D 11 0.179 6.374 21.750 1.00 10.00 C ATOM 1354 NZ LYS D 11 1.636 6.588 21.815 1.00 10.00 N ATOM 0 H LYS D 11 -0.787 4.701 17.322 1.00 10.00 H new ATOM 0 HA LYS D 11 1.558 3.281 17.952 1.00 10.00 H new ATOM 0 HB2 LYS D 11 -1.191 3.413 19.232 1.00 10.00 H new ATOM 0 HB3 LYS D 11 0.163 2.566 19.952 1.00 10.00 H new ATOM 0 HG2 LYS D 11 1.512 4.681 19.916 1.00 10.00 H new ATOM 0 HG3 LYS D 11 0.167 5.531 19.180 1.00 10.00 H new ATOM 0 HD2 LYS D 11 -1.256 4.859 21.198 1.00 10.00 H new ATOM 0 HD3 LYS D 11 0.198 4.224 21.942 1.00 10.00 H new ATOM 0 HE2 LYS D 11 -0.268 7.121 21.094 1.00 10.00 H new ATOM 0 HE3 LYS D 11 -0.253 6.519 22.740 1.00 10.00 H new ATOM 0 HZ1 LYS D 11 1.833 7.500 22.274 1.00 10.00 H new ATOM 0 HZ2 LYS D 11 2.075 5.822 22.364 1.00 10.00 H new ATOM 0 HZ3 LYS D 11 2.029 6.593 20.852 1.00 10.00 H new ATOM 1368 N TYR D 12 -0.934 1.338 16.956 1.00 10.00 N ATOM 1369 CA TYR D 12 -1.206 0.038 16.350 1.00 10.00 C ATOM 1370 C TYR D 12 -0.241 -0.265 15.193 1.00 10.00 C ATOM 1371 O TYR D 12 0.466 -1.265 15.239 1.00 10.00 O ATOM 1372 CB TYR D 12 -2.671 -0.042 15.902 1.00 10.00 C ATOM 1373 CG TYR D 12 -2.995 -1.326 15.162 1.00 10.00 C ATOM 1374 CD1 TYR D 12 -3.179 -2.523 15.879 1.00 10.00 C ATOM 1375 CD2 TYR D 12 -2.943 -1.356 13.756 1.00 10.00 C ATOM 1376 CE1 TYR D 12 -3.327 -3.739 15.191 1.00 10.00 C ATOM 1377 CE2 TYR D 12 -3.068 -2.576 13.070 1.00 10.00 C ATOM 1378 CZ TYR D 12 -3.266 -3.766 13.789 1.00 10.00 C ATOM 1379 OH TYR D 12 -3.382 -4.950 13.131 1.00 10.00 O ATOM 0 H TYR D 12 -1.746 1.954 16.991 1.00 10.00 H new ATOM 0 HA TYR D 12 -1.037 -0.730 17.105 1.00 10.00 H new ATOM 0 HB2 TYR D 12 -3.317 0.040 16.776 1.00 10.00 H new ATOM 0 HB3 TYR D 12 -2.895 0.808 15.258 1.00 10.00 H new ATOM 0 HD1 TYR D 12 -3.206 -2.507 16.959 1.00 10.00 H new ATOM 0 HD2 TYR D 12 -2.807 -0.439 13.203 1.00 10.00 H new ATOM 0 HE1 TYR D 12 -3.488 -4.654 15.742 1.00 10.00 H new ATOM 0 HE2 TYR D 12 -3.012 -2.598 11.992 1.00 10.00 H new ATOM 0 HH TYR D 12 -3.320 -4.795 12.165 1.00 10.00 H new ATOM 1389 N LEU D 13 -0.195 0.597 14.169 1.00 10.00 N ATOM 1390 CA LEU D 13 0.737 0.506 13.042 1.00 10.00 C ATOM 1391 C LEU D 13 2.162 0.191 13.520 1.00 10.00 C ATOM 1392 O LEU D 13 2.753 -0.813 13.118 1.00 10.00 O ATOM 1393 CB LEU D 13 0.657 1.818 12.236 1.00 10.00 C ATOM 1394 CG LEU D 13 1.801 2.080 11.238 1.00 10.00 C ATOM 1395 CD1 LEU D 13 1.912 0.984 10.178 1.00 10.00 C ATOM 1396 CD2 LEU D 13 1.558 3.422 10.541 1.00 10.00 C ATOM 0 H LEU D 13 -0.823 1.398 14.102 1.00 10.00 H new ATOM 0 HA LEU D 13 0.457 -0.321 12.390 1.00 10.00 H new ATOM 0 HB2 LEU D 13 -0.284 1.824 11.686 1.00 10.00 H new ATOM 0 HB3 LEU D 13 0.620 2.650 12.940 1.00 10.00 H new ATOM 0 HG LEU D 13 2.734 2.092 11.802 1.00 10.00 H new ATOM 0 HD11 LEU D 13 2.733 1.216 9.499 1.00 10.00 H new ATOM 0 HD12 LEU D 13 2.102 0.027 10.663 1.00 10.00 H new ATOM 0 HD13 LEU D 13 0.981 0.927 9.615 1.00 10.00 H new ATOM 0 HD21 LEU D 13 2.364 3.615 9.833 1.00 10.00 H new ATOM 0 HD22 LEU D 13 0.607 3.389 10.009 1.00 10.00 H new ATOM 0 HD23 LEU D 13 1.530 4.218 11.285 1.00 10.00 H new ATOM 1408 N GLU D 14 2.705 1.035 14.399 1.00 10.00 N ATOM 1409 CA GLU D 14 4.059 0.884 14.917 1.00 10.00 C ATOM 1410 C GLU D 14 4.267 -0.442 15.668 1.00 10.00 C ATOM 1411 O GLU D 14 5.226 -1.159 15.394 1.00 10.00 O ATOM 1412 CB GLU D 14 4.401 2.111 15.769 1.00 10.00 C ATOM 1413 CG GLU D 14 4.532 3.351 14.864 1.00 10.00 C ATOM 1414 CD GLU D 14 4.809 4.643 15.623 1.00 10.00 C ATOM 1415 OE1 GLU D 14 4.908 4.585 16.869 1.00 10.00 O ATOM 1416 OE2 GLU D 14 4.932 5.673 14.924 1.00 10.00 O ATOM 0 H GLU D 14 2.212 1.846 14.772 1.00 10.00 H new ATOM 0 HA GLU D 14 4.754 0.833 14.078 1.00 10.00 H new ATOM 0 HB2 GLU D 14 3.625 2.275 16.516 1.00 10.00 H new ATOM 0 HB3 GLU D 14 5.333 1.943 16.309 1.00 10.00 H new ATOM 0 HG2 GLU D 14 5.336 3.182 14.148 1.00 10.00 H new ATOM 0 HG3 GLU D 14 3.613 3.468 14.290 1.00 10.00 H new ATOM 1423 N GLN D 15 3.376 -0.795 16.600 1.00 10.00 N ATOM 1424 CA GLN D 15 3.469 -2.048 17.354 1.00 10.00 C ATOM 1425 C GLN D 15 3.347 -3.283 16.446 1.00 10.00 C ATOM 1426 O GLN D 15 4.131 -4.224 16.561 1.00 10.00 O ATOM 1427 CB GLN D 15 2.426 -2.053 18.483 1.00 10.00 C ATOM 1428 CG GLN D 15 2.983 -1.521 19.817 1.00 10.00 C ATOM 1429 CD GLN D 15 3.855 -0.271 19.716 1.00 10.00 C ATOM 1430 OE1 GLN D 15 5.016 -0.285 20.104 1.00 10.00 O ATOM 1431 NE2 GLN D 15 3.327 0.833 19.213 1.00 10.00 N ATOM 0 H GLN D 15 2.572 -0.221 16.852 1.00 10.00 H new ATOM 0 HA GLN D 15 4.461 -2.107 17.802 1.00 10.00 H new ATOM 0 HB2 GLN D 15 1.572 -1.446 18.184 1.00 10.00 H new ATOM 0 HB3 GLN D 15 2.060 -3.069 18.628 1.00 10.00 H new ATOM 0 HG2 GLN D 15 2.145 -1.305 20.480 1.00 10.00 H new ATOM 0 HG3 GLN D 15 3.566 -2.312 20.288 1.00 10.00 H new ATOM 0 HE21 GLN D 15 2.359 0.835 18.892 1.00 10.00 H new ATOM 0 HE22 GLN D 15 3.888 1.682 19.146 1.00 10.00 H new ATOM 1440 N LEU D 16 2.384 -3.281 15.523 1.00 10.00 N ATOM 1441 CA LEU D 16 2.185 -4.352 14.548 1.00 10.00 C ATOM 1442 C LEU D 16 3.445 -4.518 13.676 1.00 10.00 C ATOM 1443 O LEU D 16 4.017 -5.605 13.588 1.00 10.00 O ATOM 1444 CB LEU D 16 0.909 -4.035 13.744 1.00 10.00 C ATOM 1445 CG LEU D 16 0.194 -5.217 13.067 1.00 10.00 C ATOM 1446 CD1 LEU D 16 1.077 -5.959 12.068 1.00 10.00 C ATOM 1447 CD2 LEU D 16 -0.386 -6.206 14.085 1.00 10.00 C ATOM 0 H LEU D 16 1.709 -2.522 15.431 1.00 10.00 H new ATOM 0 HA LEU D 16 2.039 -5.316 15.036 1.00 10.00 H new ATOM 0 HB2 LEU D 16 0.199 -3.549 14.414 1.00 10.00 H new ATOM 0 HB3 LEU D 16 1.167 -3.309 12.973 1.00 10.00 H new ATOM 0 HG LEU D 16 -0.629 -4.768 12.511 1.00 10.00 H new ATOM 0 HD11 LEU D 16 0.514 -6.781 11.625 1.00 10.00 H new ATOM 0 HD12 LEU D 16 1.395 -5.273 11.283 1.00 10.00 H new ATOM 0 HD13 LEU D 16 1.954 -6.354 12.581 1.00 10.00 H new ATOM 0 HD21 LEU D 16 -0.880 -7.022 13.558 1.00 10.00 H new ATOM 0 HD22 LEU D 16 0.418 -6.607 14.702 1.00 10.00 H new ATOM 0 HD23 LEU D 16 -1.109 -5.693 14.719 1.00 10.00 H new ATOM 1459 N HIS D 17 3.931 -3.420 13.084 1.00 10.00 N ATOM 1460 CA HIS D 17 5.201 -3.409 12.361 1.00 10.00 C ATOM 1461 C HIS D 17 6.365 -3.939 13.217 1.00 10.00 C ATOM 1462 O HIS D 17 7.119 -4.790 12.761 1.00 10.00 O ATOM 1463 CB HIS D 17 5.484 -1.994 11.851 1.00 10.00 C ATOM 1464 CG HIS D 17 6.828 -1.847 11.184 1.00 10.00 C ATOM 1465 ND1 HIS D 17 7.483 -2.795 10.423 1.00 10.00 N ATOM 1466 CD2 HIS D 17 7.670 -0.778 11.331 1.00 10.00 C ATOM 1467 CE1 HIS D 17 8.690 -2.291 10.116 1.00 10.00 C ATOM 1468 NE2 HIS D 17 8.857 -1.074 10.657 1.00 10.00 N ATOM 0 H HIS D 17 3.454 -2.519 13.095 1.00 10.00 H new ATOM 0 HA HIS D 17 5.116 -4.087 11.512 1.00 10.00 H new ATOM 0 HB2 HIS D 17 4.705 -1.710 11.144 1.00 10.00 H new ATOM 0 HB3 HIS D 17 5.425 -1.297 12.687 1.00 10.00 H new ATOM 0 HD1 HIS D 17 7.119 -3.707 10.146 1.00 10.00 H new ATOM 0 HD2 HIS D 17 7.455 0.132 11.872 1.00 10.00 H new ATOM 0 HE1 HIS D 17 9.429 -2.798 9.513 1.00 10.00 H new ATOM 1476 N ARG D 18 6.516 -3.457 14.453 1.00 10.00 N ATOM 1477 CA ARG D 18 7.511 -3.942 15.412 1.00 10.00 C ATOM 1478 C ARG D 18 7.416 -5.461 15.634 1.00 10.00 C ATOM 1479 O ARG D 18 8.428 -6.161 15.587 1.00 10.00 O ATOM 1480 CB ARG D 18 7.388 -3.118 16.703 1.00 10.00 C ATOM 1481 CG ARG D 18 8.236 -3.627 17.878 1.00 10.00 C ATOM 1482 CD ARG D 18 7.378 -4.424 18.868 1.00 10.00 C ATOM 1483 NE ARG D 18 8.168 -4.857 20.029 1.00 10.00 N ATOM 1484 CZ ARG D 18 8.941 -5.946 20.086 1.00 10.00 C ATOM 1485 NH1 ARG D 18 9.100 -6.732 19.028 1.00 10.00 N ATOM 1486 NH2 ARG D 18 9.569 -6.257 21.214 1.00 10.00 N ATOM 0 H ARG D 18 5.938 -2.703 14.823 1.00 10.00 H new ATOM 0 HA ARG D 18 8.513 -3.795 15.010 1.00 10.00 H new ATOM 0 HB2 ARG D 18 7.672 -2.088 16.488 1.00 10.00 H new ATOM 0 HB3 ARG D 18 6.342 -3.103 17.009 1.00 10.00 H new ATOM 0 HG2 ARG D 18 9.044 -4.255 17.503 1.00 10.00 H new ATOM 0 HG3 ARG D 18 8.699 -2.783 18.389 1.00 10.00 H new ATOM 0 HD2 ARG D 18 6.541 -3.811 19.203 1.00 10.00 H new ATOM 0 HD3 ARG D 18 6.955 -5.295 18.367 1.00 10.00 H new ATOM 0 HE ARG D 18 8.122 -4.275 20.865 1.00 10.00 H new ATOM 0 HH11 ARG D 18 8.628 -6.509 18.152 1.00 10.00 H new ATOM 0 HH12 ARG D 18 9.694 -7.559 19.091 1.00 10.00 H new ATOM 0 HH21 ARG D 18 9.462 -5.665 22.037 1.00 10.00 H new ATOM 0 HH22 ARG D 18 10.159 -7.088 21.257 1.00 10.00 H new ATOM 1500 N LYS D 19 6.209 -5.992 15.845 1.00 10.00 N ATOM 1501 CA LYS D 19 5.987 -7.432 15.952 1.00 10.00 C ATOM 1502 C LYS D 19 6.477 -8.172 14.695 1.00 10.00 C ATOM 1503 O LYS D 19 7.257 -9.119 14.791 1.00 10.00 O ATOM 1504 CB LYS D 19 4.503 -7.698 16.244 1.00 10.00 C ATOM 1505 CG LYS D 19 4.233 -9.185 16.509 1.00 10.00 C ATOM 1506 CD LYS D 19 2.748 -9.388 16.831 1.00 10.00 C ATOM 1507 CE LYS D 19 2.462 -10.872 17.083 1.00 10.00 C ATOM 1508 NZ LYS D 19 1.039 -11.092 17.390 1.00 10.00 N ATOM 0 H LYS D 19 5.361 -5.435 15.946 1.00 10.00 H new ATOM 0 HA LYS D 19 6.575 -7.825 16.782 1.00 10.00 H new ATOM 0 HB2 LYS D 19 4.192 -7.112 17.109 1.00 10.00 H new ATOM 0 HB3 LYS D 19 3.901 -7.364 15.399 1.00 10.00 H new ATOM 0 HG2 LYS D 19 4.511 -9.777 15.637 1.00 10.00 H new ATOM 0 HG3 LYS D 19 4.847 -9.534 17.339 1.00 10.00 H new ATOM 0 HD2 LYS D 19 2.475 -8.803 17.709 1.00 10.00 H new ATOM 0 HD3 LYS D 19 2.136 -9.027 16.004 1.00 10.00 H new ATOM 0 HE2 LYS D 19 2.742 -11.454 16.205 1.00 10.00 H new ATOM 0 HE3 LYS D 19 3.075 -11.228 17.911 1.00 10.00 H new ATOM 0 HZ1 LYS D 19 0.872 -12.105 17.556 1.00 10.00 H new ATOM 0 HZ2 LYS D 19 0.780 -10.554 18.242 1.00 10.00 H new ATOM 0 HZ3 LYS D 19 0.458 -10.773 16.589 1.00 10.00 H new ATOM 1522 N LEU D 20 6.050 -7.737 13.507 1.00 10.00 N ATOM 1523 CA LEU D 20 6.464 -8.357 12.245 1.00 10.00 C ATOM 1524 C LEU D 20 7.981 -8.256 12.001 1.00 10.00 C ATOM 1525 O LEU D 20 8.619 -9.212 11.557 1.00 10.00 O ATOM 1526 CB LEU D 20 5.684 -7.731 11.089 1.00 10.00 C ATOM 1527 CG LEU D 20 4.172 -7.983 11.178 1.00 10.00 C ATOM 1528 CD1 LEU D 20 3.496 -7.079 10.150 1.00 10.00 C ATOM 1529 CD2 LEU D 20 3.802 -9.447 10.913 1.00 10.00 C ATOM 0 H LEU D 20 5.411 -6.950 13.392 1.00 10.00 H new ATOM 0 HA LEU D 20 6.236 -9.421 12.309 1.00 10.00 H new ATOM 0 HB2 LEU D 20 5.867 -6.657 11.074 1.00 10.00 H new ATOM 0 HB3 LEU D 20 6.058 -8.131 10.147 1.00 10.00 H new ATOM 0 HG LEU D 20 3.835 -7.760 12.191 1.00 10.00 H new ATOM 0 HD11 LEU D 20 2.417 -7.232 10.185 1.00 10.00 H new ATOM 0 HD12 LEU D 20 3.723 -6.037 10.377 1.00 10.00 H new ATOM 0 HD13 LEU D 20 3.865 -7.322 9.153 1.00 10.00 H new ATOM 0 HD21 LEU D 20 2.721 -9.569 10.989 1.00 10.00 H new ATOM 0 HD22 LEU D 20 4.130 -9.730 9.913 1.00 10.00 H new ATOM 0 HD23 LEU D 20 4.291 -10.085 11.649 1.00 10.00 H new ATOM 1541 N LYS D 21 8.567 -7.097 12.305 1.00 10.00 N ATOM 1542 CA LYS D 21 10.003 -6.848 12.244 1.00 10.00 C ATOM 1543 C LYS D 21 10.771 -7.777 13.193 1.00 10.00 C ATOM 1544 O LYS D 21 11.833 -8.284 12.846 1.00 10.00 O ATOM 1545 CB LYS D 21 10.257 -5.365 12.553 1.00 10.00 C ATOM 1546 CG LYS D 21 11.731 -4.984 12.372 1.00 10.00 C ATOM 1547 CD LYS D 21 11.944 -3.469 12.221 1.00 10.00 C ATOM 1548 CE LYS D 21 11.404 -2.645 13.399 1.00 10.00 C ATOM 1549 NZ LYS D 21 9.979 -2.305 13.228 1.00 10.00 N ATOM 0 H LYS D 21 8.036 -6.281 12.610 1.00 10.00 H new ATOM 0 HA LYS D 21 10.373 -7.068 11.243 1.00 10.00 H new ATOM 0 HB2 LYS D 21 9.640 -4.748 11.900 1.00 10.00 H new ATOM 0 HB3 LYS D 21 9.950 -5.150 13.577 1.00 10.00 H new ATOM 0 HG2 LYS D 21 12.301 -5.342 13.229 1.00 10.00 H new ATOM 0 HG3 LYS D 21 12.126 -5.491 11.492 1.00 10.00 H new ATOM 0 HD2 LYS D 21 13.010 -3.271 12.110 1.00 10.00 H new ATOM 0 HD3 LYS D 21 11.460 -3.134 11.304 1.00 10.00 H new ATOM 0 HE2 LYS D 21 11.534 -3.206 14.324 1.00 10.00 H new ATOM 0 HE3 LYS D 21 11.986 -1.729 13.498 1.00 10.00 H new ATOM 0 HZ1 LYS D 21 9.681 -1.665 13.992 1.00 10.00 H new ATOM 0 HZ2 LYS D 21 9.842 -1.836 12.310 1.00 10.00 H new ATOM 0 HZ3 LYS D 21 9.408 -3.174 13.262 1.00 10.00 H new ATOM 1563 N ASN D 22 10.225 -8.023 14.389 1.00 10.00 N ATOM 1564 CA ASN D 22 10.761 -9.020 15.309 1.00 10.00 C ATOM 1565 C ASN D 22 10.603 -10.446 14.759 1.00 10.00 C ATOM 1566 O ASN D 22 11.526 -11.245 14.900 1.00 10.00 O ATOM 1567 CB ASN D 22 10.083 -8.859 16.671 1.00 10.00 C ATOM 1568 CG ASN D 22 10.840 -9.477 17.844 1.00 10.00 C ATOM 1569 OD1 ASN D 22 10.750 -8.969 18.957 1.00 10.00 O ATOM 1570 ND2 ASN D 22 11.589 -10.556 17.653 1.00 10.00 N ATOM 0 H ASN D 22 9.401 -7.535 14.741 1.00 10.00 H new ATOM 0 HA ASN D 22 11.832 -8.857 15.424 1.00 10.00 H new ATOM 0 HB2 ASN D 22 9.943 -7.796 16.867 1.00 10.00 H new ATOM 0 HB3 ASN D 22 9.091 -9.307 16.622 1.00 10.00 H new ATOM 0 HD21 ASN D 22 12.096 -10.970 18.435 1.00 10.00 H new ATOM 0 HD22 ASN D 22 11.658 -10.971 16.724 1.00 10.00 H new