USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=21 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 14 LYS NZ :NH3+ 175:sc= -0.0134 (180deg=-0.101) USER MOD Set 1.2: C 15 THR OG1 : rot 79:sc= 1.21 USER MOD Set 1.3: D 17 HIS : no HE2:sc= -0.0533 K(o=1.1,f=-5.2!) USER MOD Set 2.1: B 19 LYS NZ :NH3+ -169:sc= 0.264 (180deg=-0.271) USER MOD Set 2.2: B 22 ASN : amide:sc= 0.41 K(o=0.67,f=-5.9!) USER MOD Set 3.1: A 15 THR OG1 : rot -73:sc= 1.05 USER MOD Set 3.2: B 17 HIS : no HE2:sc= 0.689 K(o=1.7,f=-2.8!) USER MOD Set 4.1: A 10 THR OG1 : rot -46:sc= 1.14 USER MOD Set 4.2: D 12 TYR OH : rot -57:sc= 2.54 USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0427) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 CYS SG : rot 72:sc= 0.393 USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0687) USER MOD Single : B 11 LYS NZ :NH3+ 166:sc=-0.00638 (180deg=-0.161) USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 15 GLN :FLIP amide:sc= -0.318 F(o=-1.1,f=-0.32) USER MOD Single : B 21 LYS NZ :NH3+ -167:sc=-0.00829 (180deg=-0.164) USER MOD Single : C 10 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : C 18 LYS NZ :NH3+ -179:sc= -0.0732 (180deg=-0.0794) USER MOD Single : C 19 CYS SG : rot 150:sc= 0 USER MOD Single : D 11 LYS NZ :NH3+ -117:sc=-0.000314 (180deg=-0.0336) USER MOD Single : D 15 GLN : amide:sc= 2.17 K(o=2.2,f=-5.8!) USER MOD Single : D 19 LYS NZ :NH3+ -170:sc=-0.00521 (180deg=-0.127) USER MOD Single : D 21 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0754) USER MOD Single : D 22 ASN : amide:sc= 1.23 K(o=1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 6 -3.472 7.198 6.495 1.00 10.00 N ATOM 88 CA PRO A 6 -4.809 7.252 5.921 1.00 10.00 C ATOM 89 C PRO A 6 -5.619 5.994 6.275 1.00 10.00 C ATOM 90 O PRO A 6 -5.044 4.918 6.446 1.00 10.00 O ATOM 91 CB PRO A 6 -4.572 7.361 4.413 1.00 10.00 C ATOM 92 CG PRO A 6 -3.298 6.543 4.213 1.00 10.00 C ATOM 93 CD PRO A 6 -2.491 6.850 5.477 1.00 10.00 C ATOM 0 HA PRO A 6 -5.392 8.089 6.306 1.00 10.00 H new ATOM 0 HB2 PRO A 6 -5.407 6.956 3.842 1.00 10.00 H new ATOM 0 HB3 PRO A 6 -4.442 8.396 4.097 1.00 10.00 H new ATOM 0 HG2 PRO A 6 -3.512 5.478 4.119 1.00 10.00 H new ATOM 0 HG3 PRO A 6 -2.764 6.841 3.311 1.00 10.00 H new ATOM 0 HD2 PRO A 6 -1.899 5.988 5.783 1.00 10.00 H new ATOM 0 HD3 PRO A 6 -1.795 7.671 5.307 1.00 10.00 H new ATOM 101 N PRO A 7 -6.960 6.086 6.323 1.00 10.00 N ATOM 102 CA PRO A 7 -7.833 4.954 6.629 1.00 10.00 C ATOM 103 C PRO A 7 -7.661 3.794 5.635 1.00 10.00 C ATOM 104 O PRO A 7 -7.895 2.641 5.986 1.00 10.00 O ATOM 105 CB PRO A 7 -9.256 5.520 6.628 1.00 10.00 C ATOM 106 CG PRO A 7 -9.153 6.739 5.711 1.00 10.00 C ATOM 107 CD PRO A 7 -7.750 7.265 6.008 1.00 10.00 C ATOM 0 HA PRO A 7 -7.585 4.515 7.595 1.00 10.00 H new ATOM 0 HB2 PRO A 7 -9.977 4.794 6.252 1.00 10.00 H new ATOM 0 HB3 PRO A 7 -9.578 5.798 7.631 1.00 10.00 H new ATOM 0 HG2 PRO A 7 -9.270 6.467 4.662 1.00 10.00 H new ATOM 0 HG3 PRO A 7 -9.920 7.481 5.936 1.00 10.00 H new ATOM 0 HD2 PRO A 7 -7.339 7.797 5.150 1.00 10.00 H new ATOM 0 HD3 PRO A 7 -7.761 7.966 6.842 1.00 10.00 H new ATOM 115 N GLY A 8 -7.194 4.079 4.414 1.00 10.00 N ATOM 116 CA GLY A 8 -6.741 3.064 3.466 1.00 10.00 C ATOM 117 C GLY A 8 -5.793 2.029 4.093 1.00 10.00 C ATOM 118 O GLY A 8 -5.893 0.841 3.795 1.00 10.00 O ATOM 0 H GLY A 8 -7.121 5.031 4.056 1.00 10.00 H new ATOM 0 HA2 GLY A 8 -7.608 2.549 3.053 1.00 10.00 H new ATOM 0 HA3 GLY A 8 -6.235 3.554 2.634 1.00 10.00 H new ATOM 122 N PHE A 9 -4.894 2.459 4.989 1.00 10.00 N ATOM 123 CA PHE A 9 -4.042 1.543 5.747 1.00 10.00 C ATOM 124 C PHE A 9 -4.882 0.575 6.596 1.00 10.00 C ATOM 125 O PHE A 9 -4.719 -0.641 6.520 1.00 10.00 O ATOM 126 CB PHE A 9 -3.066 2.352 6.613 1.00 10.00 C ATOM 127 CG PHE A 9 -2.256 1.518 7.586 1.00 10.00 C ATOM 128 CD1 PHE A 9 -1.508 0.423 7.120 1.00 10.00 C ATOM 129 CD2 PHE A 9 -2.316 1.786 8.967 1.00 10.00 C ATOM 130 CE1 PHE A 9 -0.837 -0.412 8.030 1.00 10.00 C ATOM 131 CE2 PHE A 9 -1.645 0.951 9.875 1.00 10.00 C ATOM 132 CZ PHE A 9 -0.924 -0.161 9.409 1.00 10.00 C ATOM 0 H PHE A 9 -4.740 3.444 5.205 1.00 10.00 H new ATOM 0 HA PHE A 9 -3.467 0.933 5.050 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -2.382 2.893 5.960 1.00 10.00 H new ATOM 0 HB3 PHE A 9 -3.629 3.098 7.174 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -1.449 0.223 6.060 1.00 10.00 H new ATOM 0 HD2 PHE A 9 -2.878 2.634 9.328 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -0.255 -1.247 7.669 1.00 10.00 H new ATOM 0 HE2 PHE A 9 -1.683 1.164 10.933 1.00 10.00 H new ATOM 0 HZ PHE A 9 -0.437 -0.822 10.111 1.00 10.00 H new ATOM 142 N THR A 10 -5.815 1.112 7.385 1.00 10.00 N ATOM 143 CA THR A 10 -6.757 0.321 8.172 1.00 10.00 C ATOM 144 C THR A 10 -7.564 -0.640 7.295 1.00 10.00 C ATOM 145 O THR A 10 -7.708 -1.809 7.639 1.00 10.00 O ATOM 146 CB THR A 10 -7.666 1.256 8.982 1.00 10.00 C ATOM 147 OG1 THR A 10 -6.885 2.281 9.560 1.00 10.00 O ATOM 148 CG2 THR A 10 -8.377 0.505 10.109 1.00 10.00 C ATOM 0 H THR A 10 -5.937 2.119 7.495 1.00 10.00 H new ATOM 0 HA THR A 10 -6.193 -0.301 8.867 1.00 10.00 H new ATOM 0 HB THR A 10 -8.413 1.667 8.303 1.00 10.00 H new ATOM 0 HG1 THR A 10 -6.087 1.890 9.974 1.00 10.00 H new ATOM 0 HG21 THR A 10 -9.012 1.196 10.663 1.00 10.00 H new ATOM 0 HG22 THR A 10 -8.989 -0.291 9.686 1.00 10.00 H new ATOM 0 HG23 THR A 10 -7.636 0.074 10.783 1.00 10.00 H new ATOM 156 N ALA A 11 -8.058 -0.174 6.146 1.00 10.00 N ATOM 157 CA ALA A 11 -8.744 -1.019 5.171 1.00 10.00 C ATOM 158 C ALA A 11 -7.847 -2.165 4.667 1.00 10.00 C ATOM 159 O ALA A 11 -8.251 -3.329 4.685 1.00 10.00 O ATOM 160 CB ALA A 11 -9.268 -0.148 4.027 1.00 10.00 C ATOM 0 H ALA A 11 -7.992 0.805 5.866 1.00 10.00 H new ATOM 0 HA ALA A 11 -9.592 -1.501 5.658 1.00 10.00 H new ATOM 0 HB1 ALA A 11 -9.780 -0.775 3.298 1.00 10.00 H new ATOM 0 HB2 ALA A 11 -9.964 0.592 4.422 1.00 10.00 H new ATOM 0 HB3 ALA A 11 -8.433 0.361 3.545 1.00 10.00 H new ATOM 166 N LEU A 12 -6.613 -1.855 4.251 1.00 10.00 N ATOM 167 CA LEU A 12 -5.613 -2.856 3.884 1.00 10.00 C ATOM 168 C LEU A 12 -5.432 -3.891 5.002 1.00 10.00 C ATOM 169 O LEU A 12 -5.606 -5.083 4.769 1.00 10.00 O ATOM 170 CB LEU A 12 -4.294 -2.169 3.490 1.00 10.00 C ATOM 171 CG LEU A 12 -3.208 -3.146 2.998 1.00 10.00 C ATOM 172 CD1 LEU A 12 -2.285 -2.428 2.010 1.00 10.00 C ATOM 173 CD2 LEU A 12 -2.336 -3.699 4.135 1.00 10.00 C ATOM 0 H LEU A 12 -6.281 -0.895 4.160 1.00 10.00 H new ATOM 0 HA LEU A 12 -5.964 -3.407 3.011 1.00 10.00 H new ATOM 0 HB2 LEU A 12 -4.495 -1.439 2.706 1.00 10.00 H new ATOM 0 HB3 LEU A 12 -3.912 -1.617 4.349 1.00 10.00 H new ATOM 0 HG LEU A 12 -3.732 -3.981 2.533 1.00 10.00 H new ATOM 0 HD11 LEU A 12 -1.517 -3.119 1.662 1.00 10.00 H new ATOM 0 HD12 LEU A 12 -2.867 -2.074 1.159 1.00 10.00 H new ATOM 0 HD13 LEU A 12 -1.813 -1.579 2.504 1.00 10.00 H new ATOM 0 HD21 LEU A 12 -1.591 -4.380 3.724 1.00 10.00 H new ATOM 0 HD22 LEU A 12 -1.834 -2.875 4.642 1.00 10.00 H new ATOM 0 HD23 LEU A 12 -2.964 -4.235 4.847 1.00 10.00 H new ATOM 185 N ILE A 13 -5.114 -3.455 6.224 1.00 10.00 N ATOM 186 CA ILE A 13 -4.943 -4.364 7.359 1.00 10.00 C ATOM 187 C ILE A 13 -6.203 -5.207 7.617 1.00 10.00 C ATOM 188 O ILE A 13 -6.112 -6.426 7.739 1.00 10.00 O ATOM 189 CB ILE A 13 -4.488 -3.580 8.604 1.00 10.00 C ATOM 190 CG1 ILE A 13 -3.077 -2.985 8.427 1.00 10.00 C ATOM 191 CG2 ILE A 13 -4.549 -4.441 9.876 1.00 10.00 C ATOM 192 CD1 ILE A 13 -1.958 -4.010 8.199 1.00 10.00 C ATOM 0 H ILE A 13 -4.969 -2.472 6.453 1.00 10.00 H new ATOM 0 HA ILE A 13 -4.157 -5.078 7.112 1.00 10.00 H new ATOM 0 HB ILE A 13 -5.190 -2.754 8.720 1.00 10.00 H new ATOM 0 HG12 ILE A 13 -3.094 -2.296 7.582 1.00 10.00 H new ATOM 0 HG13 ILE A 13 -2.834 -2.397 9.312 1.00 10.00 H new ATOM 0 HG21 ILE A 13 -4.220 -3.851 10.731 1.00 10.00 H new ATOM 0 HG22 ILE A 13 -5.573 -4.777 10.039 1.00 10.00 H new ATOM 0 HG23 ILE A 13 -3.897 -5.307 9.761 1.00 10.00 H new ATOM 0 HD11 ILE A 13 -1.006 -3.491 8.086 1.00 10.00 H new ATOM 0 HD12 ILE A 13 -1.904 -4.686 9.053 1.00 10.00 H new ATOM 0 HD13 ILE A 13 -2.168 -4.583 7.296 1.00 10.00 H new ATOM 204 N LYS A 14 -7.381 -4.584 7.685 1.00 10.00 N ATOM 205 CA LYS A 14 -8.645 -5.284 7.900 1.00 10.00 C ATOM 206 C LYS A 14 -8.886 -6.362 6.833 1.00 10.00 C ATOM 207 O LYS A 14 -9.158 -7.516 7.161 1.00 10.00 O ATOM 208 CB LYS A 14 -9.787 -4.262 7.956 1.00 10.00 C ATOM 209 CG LYS A 14 -11.116 -4.923 8.346 1.00 10.00 C ATOM 210 CD LYS A 14 -12.213 -3.857 8.453 1.00 10.00 C ATOM 211 CE LYS A 14 -13.530 -4.453 8.964 1.00 10.00 C ATOM 212 NZ LYS A 14 -14.083 -5.448 8.026 1.00 10.00 N ATOM 0 H LYS A 14 -7.483 -3.573 7.592 1.00 10.00 H new ATOM 0 HA LYS A 14 -8.602 -5.810 8.854 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -9.543 -3.481 8.676 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -9.891 -3.778 6.985 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -11.393 -5.670 7.603 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -11.008 -5.444 9.297 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -11.886 -3.064 9.126 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -12.374 -3.400 7.476 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -13.364 -4.921 9.934 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -14.256 -3.654 9.115 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -15.021 -5.753 8.356 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -14.170 -5.023 7.081 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -13.449 -6.271 7.979 1.00 10.00 H new ATOM 226 N THR A 15 -8.778 -6.002 5.551 1.00 10.00 N ATOM 227 CA THR A 15 -8.922 -6.960 4.453 1.00 10.00 C ATOM 228 C THR A 15 -7.843 -8.055 4.495 1.00 10.00 C ATOM 229 O THR A 15 -8.152 -9.229 4.307 1.00 10.00 O ATOM 230 CB THR A 15 -8.972 -6.257 3.089 1.00 10.00 C ATOM 231 OG1 THR A 15 -7.839 -5.442 2.896 1.00 10.00 O ATOM 232 CG2 THR A 15 -10.229 -5.396 2.950 1.00 10.00 C ATOM 0 H THR A 15 -8.590 -5.047 5.247 1.00 10.00 H new ATOM 0 HA THR A 15 -9.881 -7.460 4.592 1.00 10.00 H new ATOM 0 HB THR A 15 -8.989 -7.041 2.332 1.00 10.00 H new ATOM 0 HG1 THR A 15 -7.908 -4.646 3.464 1.00 10.00 H new ATOM 0 HG21 THR A 15 -10.233 -4.913 1.973 1.00 10.00 H new ATOM 0 HG22 THR A 15 -11.114 -6.025 3.047 1.00 10.00 H new ATOM 0 HG23 THR A 15 -10.237 -4.636 3.731 1.00 10.00 H new ATOM 240 N LEU A 16 -6.588 -7.709 4.795 1.00 10.00 N ATOM 241 CA LEU A 16 -5.525 -8.693 5.007 1.00 10.00 C ATOM 242 C LEU A 16 -5.924 -9.699 6.094 1.00 10.00 C ATOM 243 O LEU A 16 -5.929 -10.906 5.857 1.00 10.00 O ATOM 244 CB LEU A 16 -4.201 -7.972 5.317 1.00 10.00 C ATOM 245 CG LEU A 16 -2.955 -8.858 5.142 1.00 10.00 C ATOM 246 CD1 LEU A 16 -1.748 -7.963 4.841 1.00 10.00 C ATOM 247 CD2 LEU A 16 -2.648 -9.695 6.391 1.00 10.00 C ATOM 0 H LEU A 16 -6.282 -6.741 4.897 1.00 10.00 H new ATOM 0 HA LEU A 16 -5.375 -9.271 4.095 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -4.111 -7.102 4.666 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -4.231 -7.602 6.342 1.00 10.00 H new ATOM 0 HG LEU A 16 -3.155 -9.547 4.322 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -0.859 -8.581 4.715 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -1.931 -7.400 3.926 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -1.594 -7.270 5.668 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -1.760 -10.301 6.213 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.472 -9.033 7.239 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -3.494 -10.346 6.609 1.00 10.00 H new ATOM 259 N ARG A 17 -6.300 -9.204 7.276 1.00 10.00 N ATOM 260 CA ARG A 17 -6.778 -10.029 8.381 1.00 10.00 C ATOM 261 C ARG A 17 -7.980 -10.896 7.987 1.00 10.00 C ATOM 262 O ARG A 17 -7.985 -12.085 8.283 1.00 10.00 O ATOM 263 CB ARG A 17 -7.087 -9.156 9.601 1.00 10.00 C ATOM 264 CG ARG A 17 -5.792 -8.642 10.239 1.00 10.00 C ATOM 265 CD ARG A 17 -6.110 -7.873 11.523 1.00 10.00 C ATOM 266 NE ARG A 17 -4.876 -7.454 12.204 1.00 10.00 N ATOM 267 CZ ARG A 17 -4.092 -8.243 12.948 1.00 10.00 C ATOM 268 NH1 ARG A 17 -4.363 -9.535 13.119 1.00 10.00 N ATOM 269 NH2 ARG A 17 -3.016 -7.723 13.531 1.00 10.00 N ATOM 0 H ARG A 17 -6.280 -8.207 7.492 1.00 10.00 H new ATOM 0 HA ARG A 17 -5.979 -10.721 8.645 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -7.711 -8.314 9.303 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -7.655 -9.731 10.332 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -5.129 -9.479 10.461 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -5.264 -7.994 9.539 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -6.715 -6.997 11.287 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -6.703 -8.500 12.189 1.00 10.00 H new ATOM 0 HE ARG A 17 -4.594 -6.479 12.101 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -5.185 -9.946 12.678 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -3.748 -10.114 13.691 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -2.797 -6.734 13.408 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -2.410 -8.313 14.101 1.00 10.00 H new ATOM 283 N LYS A 18 -8.976 -10.330 7.296 1.00 10.00 N ATOM 284 CA LYS A 18 -10.087 -11.091 6.720 1.00 10.00 C ATOM 285 C LYS A 18 -9.572 -12.276 5.884 1.00 10.00 C ATOM 286 O LYS A 18 -9.874 -13.427 6.190 1.00 10.00 O ATOM 287 CB LYS A 18 -10.972 -10.145 5.893 1.00 10.00 C ATOM 288 CG LYS A 18 -12.145 -10.842 5.186 1.00 10.00 C ATOM 289 CD LYS A 18 -12.718 -9.902 4.117 1.00 10.00 C ATOM 290 CE LYS A 18 -13.829 -10.601 3.330 1.00 10.00 C ATOM 291 NZ LYS A 18 -14.270 -9.778 2.190 1.00 10.00 N ATOM 0 H LYS A 18 -9.033 -9.327 7.121 1.00 10.00 H new ATOM 0 HA LYS A 18 -10.690 -11.517 7.522 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -11.366 -9.368 6.548 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -10.354 -9.648 5.145 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -11.809 -11.772 4.728 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -12.917 -11.104 5.909 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -13.110 -9.001 4.589 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -11.925 -9.588 3.438 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -13.472 -11.566 2.969 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -14.675 -10.800 3.988 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -15.023 -10.275 1.674 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -14.632 -8.867 2.539 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -13.466 -9.610 1.552 1.00 10.00 H new ATOM 305 N CYS A 19 -8.784 -12.009 4.837 1.00 10.00 N ATOM 306 CA CYS A 19 -8.238 -13.054 3.966 1.00 10.00 C ATOM 307 C CYS A 19 -7.426 -14.098 4.749 1.00 10.00 C ATOM 308 O CYS A 19 -7.540 -15.295 4.503 1.00 10.00 O ATOM 309 CB CYS A 19 -7.392 -12.414 2.861 1.00 10.00 C ATOM 310 SG CYS A 19 -8.258 -11.175 1.872 1.00 10.00 S ATOM 0 H CYS A 19 -8.507 -11.064 4.570 1.00 10.00 H new ATOM 0 HA CYS A 19 -9.075 -13.587 3.514 1.00 10.00 H new ATOM 0 HB2 CYS A 19 -6.516 -11.950 3.315 1.00 10.00 H new ATOM 0 HB3 CYS A 19 -7.029 -13.200 2.198 1.00 10.00 H new ATOM 0 HG CYS A 19 -8.435 -10.100 2.581 1.00 10.00 H new ATOM 315 N LYS A 20 -6.624 -13.639 5.715 1.00 10.00 N ATOM 316 CA LYS A 20 -5.833 -14.480 6.612 1.00 10.00 C ATOM 317 C LYS A 20 -6.663 -15.091 7.765 1.00 10.00 C ATOM 318 O LYS A 20 -6.115 -15.797 8.610 1.00 10.00 O ATOM 319 CB LYS A 20 -4.657 -13.616 7.106 1.00 10.00 C ATOM 320 CG LYS A 20 -3.625 -14.299 8.014 1.00 10.00 C ATOM 321 CD LYS A 20 -3.045 -15.576 7.390 1.00 10.00 C ATOM 322 CE LYS A 20 -1.928 -16.163 8.260 1.00 10.00 C ATOM 323 NZ LYS A 20 -2.442 -16.613 9.567 1.00 10.00 N ATOM 0 H LYS A 20 -6.506 -12.643 5.898 1.00 10.00 H new ATOM 0 HA LYS A 20 -5.462 -15.355 6.078 1.00 10.00 H new ATOM 0 HB2 LYS A 20 -4.134 -13.224 6.233 1.00 10.00 H new ATOM 0 HB3 LYS A 20 -5.067 -12.760 7.643 1.00 10.00 H new ATOM 0 HG2 LYS A 20 -2.814 -13.602 8.226 1.00 10.00 H new ATOM 0 HG3 LYS A 20 -4.092 -14.544 8.968 1.00 10.00 H new ATOM 0 HD2 LYS A 20 -3.837 -16.314 7.264 1.00 10.00 H new ATOM 0 HD3 LYS A 20 -2.656 -15.354 6.396 1.00 10.00 H new ATOM 0 HE2 LYS A 20 -1.464 -17.002 7.742 1.00 10.00 H new ATOM 0 HE3 LYS A 20 -1.151 -15.413 8.412 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 -1.694 -17.126 10.076 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 -2.739 -15.788 10.126 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 -3.256 -17.243 9.421 1.00 10.00 H new ATOM 337 N ILE A 21 -7.976 -14.830 7.830 1.00 10.00 N ATOM 338 CA ILE A 21 -8.878 -15.174 8.936 1.00 10.00 C ATOM 339 C ILE A 21 -8.573 -14.365 10.210 1.00 10.00 C ATOM 340 O ILE A 21 -9.444 -13.671 10.730 1.00 10.00 O ATOM 341 CB ILE A 21 -8.942 -16.696 9.189 1.00 10.00 C ATOM 342 CG1 ILE A 21 -9.118 -17.523 7.900 1.00 10.00 C ATOM 343 CG2 ILE A 21 -10.062 -17.021 10.190 1.00 10.00 C ATOM 344 CD1 ILE A 21 -10.346 -17.147 7.063 1.00 10.00 C ATOM 0 H ILE A 21 -8.462 -14.348 7.073 1.00 10.00 H new ATOM 0 HA ILE A 21 -9.881 -14.880 8.627 1.00 10.00 H new ATOM 0 HB ILE A 21 -7.978 -16.982 9.609 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -8.226 -17.407 7.285 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -9.186 -18.578 8.167 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -10.097 -18.097 10.360 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -9.866 -16.511 11.133 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -11.018 -16.686 9.788 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -10.389 -17.779 6.176 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -11.249 -17.291 7.656 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -10.274 -16.102 6.760 1.00 10.00 H new ATOM 356 N ILE A 22 -7.339 -14.459 10.719 1.00 10.00 N ATOM 357 CA ILE A 22 -6.839 -13.688 11.860 1.00 10.00 C ATOM 358 C ILE A 22 -6.065 -12.439 11.407 1.00 10.00 C ATOM 359 O ILE A 22 -5.307 -12.551 10.419 1.00 10.00 O ATOM 360 CB ILE A 22 -6.006 -14.600 12.784 1.00 10.00 C ATOM 361 CG1 ILE A 22 -5.659 -13.858 14.088 1.00 10.00 C ATOM 362 CG2 ILE A 22 -4.737 -15.137 12.101 1.00 10.00 C ATOM 363 CD1 ILE A 22 -5.072 -14.782 15.159 1.00 10.00 C ATOM 364 OXT ILE A 22 -6.220 -11.390 12.075 1.00 10.00 O ATOM 0 H ILE A 22 -6.640 -15.094 10.335 1.00 10.00 H new ATOM 0 HA ILE A 22 -7.689 -13.319 12.434 1.00 10.00 H new ATOM 0 HB ILE A 22 -6.619 -15.470 13.020 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -4.946 -13.063 13.870 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -6.558 -13.381 14.479 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -4.190 -15.772 12.798 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -5.015 -15.718 11.222 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -4.105 -14.302 11.799 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -4.847 -14.204 16.055 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -5.794 -15.562 15.402 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -4.157 -15.239 14.783 1.00 10.00 H new ATOM 465 N ILE B 7 0.881 9.691 -5.318 1.00 10.00 N ATOM 466 CA ILE B 7 0.031 8.937 -6.239 1.00 10.00 C ATOM 467 C ILE B 7 0.492 7.478 -6.400 1.00 10.00 C ATOM 468 O ILE B 7 -0.332 6.570 -6.382 1.00 10.00 O ATOM 469 CB ILE B 7 -0.150 9.676 -7.581 1.00 10.00 C ATOM 470 CG1 ILE B 7 1.175 9.935 -8.319 1.00 10.00 C ATOM 471 CG2 ILE B 7 -0.905 10.992 -7.338 1.00 10.00 C ATOM 472 CD1 ILE B 7 0.974 10.512 -9.723 1.00 10.00 C ATOM 0 HA ILE B 7 -0.961 8.877 -5.791 1.00 10.00 H new ATOM 0 HB ILE B 7 -0.731 9.025 -8.235 1.00 10.00 H new ATOM 0 HG12 ILE B 7 1.783 10.624 -7.732 1.00 10.00 H new ATOM 0 HG13 ILE B 7 1.733 9.001 -8.392 1.00 10.00 H new ATOM 0 HG21 ILE B 7 -1.035 11.517 -8.284 1.00 10.00 H new ATOM 0 HG22 ILE B 7 -1.882 10.776 -6.906 1.00 10.00 H new ATOM 0 HG23 ILE B 7 -0.334 11.617 -6.651 1.00 10.00 H new ATOM 0 HD11 ILE B 7 1.944 10.673 -10.193 1.00 10.00 H new ATOM 0 HD12 ILE B 7 0.392 9.813 -10.324 1.00 10.00 H new ATOM 0 HD13 ILE B 7 0.443 11.461 -9.654 1.00 10.00 H new ATOM 484 N GLU B 8 1.803 7.244 -6.505 1.00 10.00 N ATOM 485 CA GLU B 8 2.417 5.918 -6.569 1.00 10.00 C ATOM 486 C GLU B 8 1.987 5.039 -5.380 1.00 10.00 C ATOM 487 O GLU B 8 1.399 3.969 -5.548 1.00 10.00 O ATOM 488 CB GLU B 8 3.939 6.134 -6.629 1.00 10.00 C ATOM 489 CG GLU B 8 4.761 4.836 -6.628 1.00 10.00 C ATOM 490 CD GLU B 8 6.257 5.124 -6.759 1.00 10.00 C ATOM 491 OE1 GLU B 8 6.812 5.736 -5.818 1.00 10.00 O ATOM 492 OE2 GLU B 8 6.820 4.735 -7.804 1.00 10.00 O ATOM 0 H GLU B 8 2.488 7.999 -6.549 1.00 10.00 H new ATOM 0 HA GLU B 8 2.086 5.375 -7.454 1.00 10.00 H new ATOM 0 HB2 GLU B 8 4.179 6.702 -7.528 1.00 10.00 H new ATOM 0 HB3 GLU B 8 4.242 6.743 -5.777 1.00 10.00 H new ATOM 0 HG2 GLU B 8 4.574 4.286 -5.706 1.00 10.00 H new ATOM 0 HG3 GLU B 8 4.438 4.198 -7.451 1.00 10.00 H new ATOM 499 N ALA B 9 2.271 5.508 -4.164 1.00 10.00 N ATOM 500 CA ALA B 9 1.926 4.826 -2.926 1.00 10.00 C ATOM 501 C ALA B 9 0.411 4.675 -2.759 1.00 10.00 C ATOM 502 O ALA B 9 -0.052 3.610 -2.369 1.00 10.00 O ATOM 503 CB ALA B 9 2.527 5.594 -1.752 1.00 10.00 C ATOM 0 H ALA B 9 2.758 6.392 -4.014 1.00 10.00 H new ATOM 0 HA ALA B 9 2.339 3.818 -2.958 1.00 10.00 H new ATOM 0 HB1 ALA B 9 2.273 5.090 -0.819 1.00 10.00 H new ATOM 0 HB2 ALA B 9 3.611 5.634 -1.860 1.00 10.00 H new ATOM 0 HB3 ALA B 9 2.126 6.608 -1.737 1.00 10.00 H new ATOM 509 N ARG B 10 -0.368 5.720 -3.058 1.00 10.00 N ATOM 510 CA ARG B 10 -1.829 5.660 -3.030 1.00 10.00 C ATOM 511 C ARG B 10 -2.367 4.568 -3.968 1.00 10.00 C ATOM 512 O ARG B 10 -3.178 3.738 -3.557 1.00 10.00 O ATOM 513 CB ARG B 10 -2.395 7.043 -3.374 1.00 10.00 C ATOM 514 CG ARG B 10 -3.922 7.089 -3.251 1.00 10.00 C ATOM 515 CD ARG B 10 -4.422 8.504 -3.553 1.00 10.00 C ATOM 516 NE ARG B 10 -5.887 8.582 -3.443 1.00 10.00 N ATOM 517 CZ ARG B 10 -6.584 8.687 -2.306 1.00 10.00 C ATOM 518 NH1 ARG B 10 -5.974 8.714 -1.124 1.00 10.00 N ATOM 519 NH2 ARG B 10 -7.911 8.766 -2.357 1.00 10.00 N ATOM 0 H ARG B 10 0.000 6.632 -3.327 1.00 10.00 H new ATOM 0 HA ARG B 10 -2.158 5.387 -2.027 1.00 10.00 H new ATOM 0 HB2 ARG B 10 -1.956 7.789 -2.711 1.00 10.00 H new ATOM 0 HB3 ARG B 10 -2.106 7.310 -4.390 1.00 10.00 H new ATOM 0 HG2 ARG B 10 -4.374 6.378 -3.943 1.00 10.00 H new ATOM 0 HG3 ARG B 10 -4.225 6.793 -2.247 1.00 10.00 H new ATOM 0 HD2 ARG B 10 -3.964 9.210 -2.861 1.00 10.00 H new ATOM 0 HD3 ARG B 10 -4.113 8.796 -4.557 1.00 10.00 H new ATOM 0 HE ARG B 10 -6.420 8.553 -4.312 1.00 10.00 H new ATOM 0 HH11 ARG B 10 -4.957 8.654 -1.073 1.00 10.00 H new ATOM 0 HH12 ARG B 10 -6.523 8.795 -0.268 1.00 10.00 H new ATOM 0 HH21 ARG B 10 -8.389 8.746 -3.258 1.00 10.00 H new ATOM 0 HH22 ARG B 10 -8.451 8.846 -1.495 1.00 10.00 H new ATOM 533 N LYS B 11 -1.902 4.553 -5.222 1.00 10.00 N ATOM 534 CA LYS B 11 -2.235 3.523 -6.201 1.00 10.00 C ATOM 535 C LYS B 11 -1.887 2.136 -5.655 1.00 10.00 C ATOM 536 O LYS B 11 -2.760 1.274 -5.583 1.00 10.00 O ATOM 537 CB LYS B 11 -1.535 3.840 -7.534 1.00 10.00 C ATOM 538 CG LYS B 11 -2.003 3.000 -8.735 1.00 10.00 C ATOM 539 CD LYS B 11 -1.465 1.559 -8.736 1.00 10.00 C ATOM 540 CE LYS B 11 -1.719 0.862 -10.077 1.00 10.00 C ATOM 541 NZ LYS B 11 -0.883 1.420 -11.156 1.00 10.00 N ATOM 0 H LYS B 11 -1.274 5.269 -5.587 1.00 10.00 H new ATOM 0 HA LYS B 11 -3.308 3.516 -6.391 1.00 10.00 H new ATOM 0 HB2 LYS B 11 -1.690 4.894 -7.766 1.00 10.00 H new ATOM 0 HB3 LYS B 11 -0.462 3.696 -7.406 1.00 10.00 H new ATOM 0 HG2 LYS B 11 -3.093 2.970 -8.743 1.00 10.00 H new ATOM 0 HG3 LYS B 11 -1.691 3.494 -9.655 1.00 10.00 H new ATOM 0 HD2 LYS B 11 -0.395 1.570 -8.528 1.00 10.00 H new ATOM 0 HD3 LYS B 11 -1.940 0.992 -7.935 1.00 10.00 H new ATOM 0 HE2 LYS B 11 -1.516 -0.204 -9.976 1.00 10.00 H new ATOM 0 HE3 LYS B 11 -2.771 0.962 -10.344 1.00 10.00 H new ATOM 0 HZ1 LYS B 11 -0.904 0.782 -11.977 1.00 10.00 H new ATOM 0 HZ2 LYS B 11 -1.251 2.353 -11.433 1.00 10.00 H new ATOM 0 HZ3 LYS B 11 0.096 1.520 -10.820 1.00 10.00 H new ATOM 555 N TYR B 12 -0.632 1.918 -5.241 1.00 10.00 N ATOM 556 CA TYR B 12 -0.215 0.662 -4.617 1.00 10.00 C ATOM 557 C TYR B 12 -1.143 0.252 -3.462 1.00 10.00 C ATOM 558 O TYR B 12 -1.721 -0.832 -3.482 1.00 10.00 O ATOM 559 CB TYR B 12 1.240 0.770 -4.144 1.00 10.00 C ATOM 560 CG TYR B 12 1.673 -0.397 -3.275 1.00 10.00 C ATOM 561 CD1 TYR B 12 1.788 -1.680 -3.841 1.00 10.00 C ATOM 562 CD2 TYR B 12 1.758 -0.241 -1.877 1.00 10.00 C ATOM 563 CE1 TYR B 12 1.990 -2.800 -3.016 1.00 10.00 C ATOM 564 CE2 TYR B 12 1.959 -1.363 -1.054 1.00 10.00 C ATOM 565 CZ TYR B 12 2.059 -2.641 -1.623 1.00 10.00 C ATOM 566 OH TYR B 12 2.207 -3.730 -0.821 1.00 10.00 O ATOM 0 H TYR B 12 0.117 2.605 -5.330 1.00 10.00 H new ATOM 0 HA TYR B 12 -0.286 -0.124 -5.369 1.00 10.00 H new ATOM 0 HB2 TYR B 12 1.895 0.830 -5.013 1.00 10.00 H new ATOM 0 HB3 TYR B 12 1.366 1.697 -3.585 1.00 10.00 H new ATOM 0 HD1 TYR B 12 1.721 -1.805 -4.912 1.00 10.00 H new ATOM 0 HD2 TYR B 12 1.669 0.741 -1.437 1.00 10.00 H new ATOM 0 HE1 TYR B 12 2.092 -3.782 -3.454 1.00 10.00 H new ATOM 0 HE2 TYR B 12 2.036 -1.241 0.016 1.00 10.00 H new ATOM 0 HH TYR B 12 2.238 -3.444 0.116 1.00 10.00 H new ATOM 576 N LEU B 13 -1.292 1.123 -2.461 1.00 10.00 N ATOM 577 CA LEU B 13 -2.151 0.932 -1.296 1.00 10.00 C ATOM 578 C LEU B 13 -3.557 0.484 -1.709 1.00 10.00 C ATOM 579 O LEU B 13 -4.009 -0.589 -1.307 1.00 10.00 O ATOM 580 CB LEU B 13 -2.169 2.240 -0.486 1.00 10.00 C ATOM 581 CG LEU B 13 -3.144 2.266 0.702 1.00 10.00 C ATOM 582 CD1 LEU B 13 -2.829 1.162 1.712 1.00 10.00 C ATOM 583 CD2 LEU B 13 -3.049 3.627 1.400 1.00 10.00 C ATOM 0 H LEU B 13 -0.797 2.015 -2.442 1.00 10.00 H new ATOM 0 HA LEU B 13 -1.756 0.133 -0.668 1.00 10.00 H new ATOM 0 HB2 LEU B 13 -1.163 2.430 -0.113 1.00 10.00 H new ATOM 0 HB3 LEU B 13 -2.420 3.060 -1.158 1.00 10.00 H new ATOM 0 HG LEU B 13 -4.151 2.100 0.319 1.00 10.00 H new ATOM 0 HD11 LEU B 13 -3.539 1.211 2.538 1.00 10.00 H new ATOM 0 HD12 LEU B 13 -2.906 0.190 1.225 1.00 10.00 H new ATOM 0 HD13 LEU B 13 -1.817 1.297 2.094 1.00 10.00 H new ATOM 0 HD21 LEU B 13 -3.738 3.652 2.244 1.00 10.00 H new ATOM 0 HD22 LEU B 13 -2.031 3.782 1.758 1.00 10.00 H new ATOM 0 HD23 LEU B 13 -3.310 4.416 0.695 1.00 10.00 H new ATOM 595 N GLU B 14 -4.241 1.289 -2.529 1.00 10.00 N ATOM 596 CA GLU B 14 -5.589 0.978 -2.988 1.00 10.00 C ATOM 597 C GLU B 14 -5.643 -0.323 -3.798 1.00 10.00 C ATOM 598 O GLU B 14 -6.535 -1.135 -3.581 1.00 10.00 O ATOM 599 CB GLU B 14 -6.176 2.180 -3.745 1.00 10.00 C ATOM 600 CG GLU B 14 -7.496 1.879 -4.486 1.00 10.00 C ATOM 601 CD GLU B 14 -8.625 1.259 -3.652 1.00 10.00 C ATOM 602 OE1 GLU B 14 -8.545 1.293 -2.404 1.00 10.00 O ATOM 603 OE2 GLU B 14 -9.574 0.765 -4.298 1.00 10.00 O ATOM 0 H GLU B 14 -3.873 2.170 -2.889 1.00 10.00 H new ATOM 0 HA GLU B 14 -6.217 0.796 -2.116 1.00 10.00 H new ATOM 0 HB2 GLU B 14 -6.346 2.992 -3.038 1.00 10.00 H new ATOM 0 HB3 GLU B 14 -5.440 2.535 -4.467 1.00 10.00 H new ATOM 0 HG2 GLU B 14 -7.864 2.809 -4.919 1.00 10.00 H new ATOM 0 HG3 GLU B 14 -7.276 1.206 -5.315 1.00 10.00 H new ATOM 610 N GLN B 15 -4.705 -0.549 -4.720 1.00 10.00 N ATOM 611 CA GLN B 15 -4.630 -1.786 -5.494 1.00 10.00 C ATOM 612 C GLN B 15 -4.466 -3.015 -4.587 1.00 10.00 C ATOM 613 O GLN B 15 -5.113 -4.043 -4.800 1.00 10.00 O ATOM 614 CB GLN B 15 -3.496 -1.658 -6.523 1.00 10.00 C ATOM 615 CG GLN B 15 -3.333 -2.891 -7.428 1.00 10.00 C ATOM 616 CD GLN B 15 -2.295 -3.887 -6.915 1.00 10.00 C ATOM 617 OE1 GLN B 15 -2.695 -4.844 -6.091 1.00 10.00 O flip ATOM 618 NE2 GLN B 15 -1.126 -3.813 -7.266 1.00 10.00 N flip ATOM 0 H GLN B 15 -3.974 0.124 -4.950 1.00 10.00 H new ATOM 0 HA GLN B 15 -5.568 -1.940 -6.027 1.00 10.00 H new ATOM 0 HB2 GLN B 15 -3.682 -0.784 -7.147 1.00 10.00 H new ATOM 0 HB3 GLN B 15 -2.559 -1.480 -5.996 1.00 10.00 H new ATOM 0 HG2 GLN B 15 -4.295 -3.395 -7.520 1.00 10.00 H new ATOM 0 HG3 GLN B 15 -3.048 -2.564 -8.428 1.00 10.00 H new ATOM 0 HE21 GLN B 15 -0.830 -3.072 -7.901 1.00 10.00 H new ATOM 0 HE22 GLN B 15 -0.447 -4.493 -6.924 1.00 10.00 H new ATOM 627 N LEU B 16 -3.572 -2.935 -3.600 1.00 10.00 N ATOM 628 CA LEU B 16 -3.301 -4.015 -2.657 1.00 10.00 C ATOM 629 C LEU B 16 -4.556 -4.284 -1.808 1.00 10.00 C ATOM 630 O LEU B 16 -5.089 -5.395 -1.810 1.00 10.00 O ATOM 631 CB LEU B 16 -2.053 -3.631 -1.837 1.00 10.00 C ATOM 632 CG LEU B 16 -1.276 -4.778 -1.171 1.00 10.00 C ATOM 633 CD1 LEU B 16 -2.134 -5.606 -0.216 1.00 10.00 C ATOM 634 CD2 LEU B 16 -0.606 -5.698 -2.200 1.00 10.00 C ATOM 0 H LEU B 16 -3.007 -2.102 -3.433 1.00 10.00 H new ATOM 0 HA LEU B 16 -3.080 -4.955 -3.162 1.00 10.00 H new ATOM 0 HB2 LEU B 16 -1.368 -3.094 -2.494 1.00 10.00 H new ATOM 0 HB3 LEU B 16 -2.361 -2.933 -1.058 1.00 10.00 H new ATOM 0 HG LEU B 16 -0.499 -4.291 -0.581 1.00 10.00 H new ATOM 0 HD11 LEU B 16 -1.529 -6.400 0.222 1.00 10.00 H new ATOM 0 HD12 LEU B 16 -2.519 -4.964 0.576 1.00 10.00 H new ATOM 0 HD13 LEU B 16 -2.967 -6.046 -0.764 1.00 10.00 H new ATOM 0 HD21 LEU B 16 -0.069 -6.493 -1.682 1.00 10.00 H new ATOM 0 HD22 LEU B 16 -1.367 -6.135 -2.847 1.00 10.00 H new ATOM 0 HD23 LEU B 16 0.094 -5.120 -2.803 1.00 10.00 H new ATOM 646 N HIS B 17 -5.076 -3.239 -1.154 1.00 10.00 N ATOM 647 CA HIS B 17 -6.372 -3.244 -0.476 1.00 10.00 C ATOM 648 C HIS B 17 -7.477 -3.889 -1.330 1.00 10.00 C ATOM 649 O HIS B 17 -8.195 -4.765 -0.860 1.00 10.00 O ATOM 650 CB HIS B 17 -6.729 -1.799 -0.097 1.00 10.00 C ATOM 651 CG HIS B 17 -8.184 -1.579 0.227 1.00 10.00 C ATOM 652 ND1 HIS B 17 -9.032 -0.727 -0.447 1.00 10.00 N ATOM 653 CD2 HIS B 17 -8.934 -2.289 1.126 1.00 10.00 C ATOM 654 CE1 HIS B 17 -10.267 -0.919 0.047 1.00 10.00 C ATOM 655 NE2 HIS B 17 -10.259 -1.862 1.004 1.00 10.00 N ATOM 0 H HIS B 17 -4.592 -2.344 -1.081 1.00 10.00 H new ATOM 0 HA HIS B 17 -6.297 -3.855 0.423 1.00 10.00 H new ATOM 0 HB2 HIS B 17 -6.129 -1.504 0.764 1.00 10.00 H new ATOM 0 HB3 HIS B 17 -6.450 -1.141 -0.920 1.00 10.00 H new ATOM 0 HD1 HIS B 17 -8.771 -0.072 -1.184 1.00 10.00 H new ATOM 0 HD2 HIS B 17 -8.568 -3.043 1.807 1.00 10.00 H new ATOM 0 HE1 HIS B 17 -11.148 -0.387 -0.281 1.00 10.00 H new ATOM 663 N ARG B 18 -7.625 -3.461 -2.584 1.00 10.00 N ATOM 664 CA ARG B 18 -8.635 -3.968 -3.507 1.00 10.00 C ATOM 665 C ARG B 18 -8.458 -5.467 -3.775 1.00 10.00 C ATOM 666 O ARG B 18 -9.407 -6.236 -3.629 1.00 10.00 O ATOM 667 CB ARG B 18 -8.597 -3.139 -4.795 1.00 10.00 C ATOM 668 CG ARG B 18 -9.754 -3.486 -5.741 1.00 10.00 C ATOM 669 CD ARG B 18 -9.707 -2.614 -7.000 1.00 10.00 C ATOM 670 NE ARG B 18 -9.837 -1.188 -6.663 1.00 10.00 N ATOM 671 CZ ARG B 18 -9.835 -0.174 -7.531 1.00 10.00 C ATOM 672 NH1 ARG B 18 -9.745 -0.387 -8.841 1.00 10.00 N ATOM 673 NH2 ARG B 18 -9.924 1.067 -7.066 1.00 10.00 N ATOM 0 H ARG B 18 -7.033 -2.738 -2.993 1.00 10.00 H new ATOM 0 HA ARG B 18 -9.621 -3.862 -3.054 1.00 10.00 H new ATOM 0 HB2 ARG B 18 -8.640 -2.079 -4.544 1.00 10.00 H new ATOM 0 HB3 ARG B 18 -7.649 -3.308 -5.306 1.00 10.00 H new ATOM 0 HG2 ARG B 18 -9.699 -4.538 -6.020 1.00 10.00 H new ATOM 0 HG3 ARG B 18 -10.705 -3.341 -5.228 1.00 10.00 H new ATOM 0 HD2 ARG B 18 -8.768 -2.782 -7.527 1.00 10.00 H new ATOM 0 HD3 ARG B 18 -10.510 -2.905 -7.678 1.00 10.00 H new ATOM 0 HE ARG B 18 -9.938 -0.953 -5.676 1.00 10.00 H new ATOM 0 HH11 ARG B 18 -9.676 -1.340 -9.199 1.00 10.00 H new ATOM 0 HH12 ARG B 18 -9.745 0.402 -9.487 1.00 10.00 H new ATOM 0 HH21 ARG B 18 -9.992 1.232 -6.062 1.00 10.00 H new ATOM 0 HH22 ARG B 18 -9.924 1.855 -7.713 1.00 10.00 H new ATOM 687 N LYS B 19 -7.250 -5.906 -4.146 1.00 10.00 N ATOM 688 CA LYS B 19 -7.000 -7.333 -4.346 1.00 10.00 C ATOM 689 C LYS B 19 -7.300 -8.152 -3.081 1.00 10.00 C ATOM 690 O LYS B 19 -7.945 -9.196 -3.168 1.00 10.00 O ATOM 691 CB LYS B 19 -5.583 -7.585 -4.877 1.00 10.00 C ATOM 692 CG LYS B 19 -5.321 -7.024 -6.287 1.00 10.00 C ATOM 693 CD LYS B 19 -5.760 -7.918 -7.463 1.00 10.00 C ATOM 694 CE LYS B 19 -7.271 -8.113 -7.644 1.00 10.00 C ATOM 695 NZ LYS B 19 -8.001 -6.832 -7.607 1.00 10.00 N ATOM 0 H LYS B 19 -6.444 -5.303 -4.311 1.00 10.00 H new ATOM 0 HA LYS B 19 -7.695 -7.680 -5.111 1.00 10.00 H new ATOM 0 HB2 LYS B 19 -4.865 -7.144 -4.185 1.00 10.00 H new ATOM 0 HB3 LYS B 19 -5.398 -8.659 -4.887 1.00 10.00 H new ATOM 0 HG2 LYS B 19 -5.832 -6.065 -6.375 1.00 10.00 H new ATOM 0 HG3 LYS B 19 -4.253 -6.827 -6.385 1.00 10.00 H new ATOM 0 HD2 LYS B 19 -5.357 -7.494 -8.383 1.00 10.00 H new ATOM 0 HD3 LYS B 19 -5.302 -8.899 -7.336 1.00 10.00 H new ATOM 0 HE2 LYS B 19 -7.461 -8.611 -8.595 1.00 10.00 H new ATOM 0 HE3 LYS B 19 -7.649 -8.768 -6.859 1.00 10.00 H new ATOM 0 HZ1 LYS B 19 -9.023 -7.016 -7.545 1.00 10.00 H new ATOM 0 HZ2 LYS B 19 -7.697 -6.283 -6.777 1.00 10.00 H new ATOM 0 HZ3 LYS B 19 -7.798 -6.292 -8.472 1.00 10.00 H new ATOM 709 N LEU B 20 -6.901 -7.666 -1.902 1.00 10.00 N ATOM 710 CA LEU B 20 -7.315 -8.292 -0.645 1.00 10.00 C ATOM 711 C LEU B 20 -8.844 -8.326 -0.503 1.00 10.00 C ATOM 712 O LEU B 20 -9.416 -9.390 -0.305 1.00 10.00 O ATOM 713 CB LEU B 20 -6.663 -7.593 0.551 1.00 10.00 C ATOM 714 CG LEU B 20 -5.138 -7.760 0.600 1.00 10.00 C ATOM 715 CD1 LEU B 20 -4.611 -6.812 1.678 1.00 10.00 C ATOM 716 CD2 LEU B 20 -4.725 -9.201 0.923 1.00 10.00 C ATOM 0 H LEU B 20 -6.299 -6.850 -1.793 1.00 10.00 H new ATOM 0 HA LEU B 20 -6.971 -9.326 -0.663 1.00 10.00 H new ATOM 0 HB2 LEU B 20 -6.903 -6.530 0.516 1.00 10.00 H new ATOM 0 HB3 LEU B 20 -7.094 -7.987 1.471 1.00 10.00 H new ATOM 0 HG LEU B 20 -4.718 -7.526 -0.378 1.00 10.00 H new ATOM 0 HD11 LEU B 20 -3.527 -6.902 1.743 1.00 10.00 H new ATOM 0 HD12 LEU B 20 -4.875 -5.786 1.421 1.00 10.00 H new ATOM 0 HD13 LEU B 20 -5.055 -7.071 2.639 1.00 10.00 H new ATOM 0 HD21 LEU B 20 -3.638 -9.271 0.947 1.00 10.00 H new ATOM 0 HD22 LEU B 20 -5.129 -9.486 1.895 1.00 10.00 H new ATOM 0 HD23 LEU B 20 -5.115 -9.872 0.157 1.00 10.00 H new ATOM 728 N LYS B 21 -9.539 -7.195 -0.638 1.00 10.00 N ATOM 729 CA LYS B 21 -11.002 -7.148 -0.609 1.00 10.00 C ATOM 730 C LYS B 21 -11.633 -8.194 -1.548 1.00 10.00 C ATOM 731 O LYS B 21 -12.591 -8.874 -1.182 1.00 10.00 O ATOM 732 CB LYS B 21 -11.462 -5.721 -0.948 1.00 10.00 C ATOM 733 CG LYS B 21 -12.976 -5.492 -0.814 1.00 10.00 C ATOM 734 CD LYS B 21 -13.452 -5.606 0.641 1.00 10.00 C ATOM 735 CE LYS B 21 -14.936 -5.248 0.777 1.00 10.00 C ATOM 736 NZ LYS B 21 -15.185 -3.821 0.502 1.00 10.00 N ATOM 0 H LYS B 21 -9.102 -6.283 -0.771 1.00 10.00 H new ATOM 0 HA LYS B 21 -11.345 -7.404 0.393 1.00 10.00 H new ATOM 0 HB2 LYS B 21 -10.942 -5.020 -0.295 1.00 10.00 H new ATOM 0 HB3 LYS B 21 -11.161 -5.489 -1.969 1.00 10.00 H new ATOM 0 HG2 LYS B 21 -13.228 -4.505 -1.201 1.00 10.00 H new ATOM 0 HG3 LYS B 21 -13.508 -6.220 -1.427 1.00 10.00 H new ATOM 0 HD2 LYS B 21 -13.288 -6.622 1.000 1.00 10.00 H new ATOM 0 HD3 LYS B 21 -12.858 -4.945 1.272 1.00 10.00 H new ATOM 0 HE2 LYS B 21 -15.521 -5.858 0.089 1.00 10.00 H new ATOM 0 HE3 LYS B 21 -15.277 -5.488 1.784 1.00 10.00 H new ATOM 0 HZ1 LYS B 21 -16.145 -3.570 0.814 1.00 10.00 H new ATOM 0 HZ2 LYS B 21 -14.491 -3.242 1.017 1.00 10.00 H new ATOM 0 HZ3 LYS B 21 -15.095 -3.643 -0.519 1.00 10.00 H new ATOM 750 N ASN B 22 -11.070 -8.345 -2.751 1.00 10.00 N ATOM 751 CA ASN B 22 -11.505 -9.320 -3.752 1.00 10.00 C ATOM 752 C ASN B 22 -11.162 -10.786 -3.415 1.00 10.00 C ATOM 753 O ASN B 22 -11.632 -11.677 -4.117 1.00 10.00 O ATOM 754 CB ASN B 22 -10.924 -8.946 -5.126 1.00 10.00 C ATOM 755 CG ASN B 22 -11.281 -7.548 -5.635 1.00 10.00 C ATOM 756 OD1 ASN B 22 -10.592 -7.005 -6.489 1.00 10.00 O ATOM 757 ND2 ASN B 22 -12.361 -6.942 -5.159 1.00 10.00 N ATOM 0 H ASN B 22 -10.281 -7.779 -3.062 1.00 10.00 H new ATOM 0 HA ASN B 22 -12.594 -9.270 -3.763 1.00 10.00 H new ATOM 0 HB2 ASN B 22 -9.838 -9.029 -5.076 1.00 10.00 H new ATOM 0 HB3 ASN B 22 -11.267 -9.678 -5.857 1.00 10.00 H new ATOM 0 HD21 ASN B 22 -12.621 -6.018 -5.505 1.00 10.00 H new ATOM 0 HD22 ASN B 22 -12.931 -7.400 -4.448 1.00 10.00 H new ATOM 914 N PRO C 7 7.117 6.158 6.415 1.00 10.00 N ATOM 915 CA PRO C 7 8.099 5.100 6.183 1.00 10.00 C ATOM 916 C PRO C 7 7.712 3.798 6.894 1.00 10.00 C ATOM 917 O PRO C 7 7.779 2.720 6.307 1.00 10.00 O ATOM 918 CB PRO C 7 9.435 5.663 6.678 1.00 10.00 C ATOM 919 CG PRO C 7 9.261 7.169 6.493 1.00 10.00 C ATOM 920 CD PRO C 7 7.783 7.389 6.815 1.00 10.00 C ATOM 0 HA PRO C 7 8.157 4.830 5.129 1.00 10.00 H new ATOM 0 HB2 PRO C 7 9.622 5.403 7.720 1.00 10.00 H new ATOM 0 HB3 PRO C 7 10.275 5.279 6.098 1.00 10.00 H new ATOM 0 HG2 PRO C 7 9.908 7.735 7.163 1.00 10.00 H new ATOM 0 HG3 PRO C 7 9.503 7.481 5.477 1.00 10.00 H new ATOM 0 HD2 PRO C 7 7.637 7.589 7.877 1.00 10.00 H new ATOM 0 HD3 PRO C 7 7.385 8.246 6.272 1.00 10.00 H new ATOM 928 N GLY C 8 7.239 3.922 8.138 1.00 10.00 N ATOM 929 CA GLY C 8 6.605 2.867 8.921 1.00 10.00 C ATOM 930 C GLY C 8 5.663 1.954 8.125 1.00 10.00 C ATOM 931 O GLY C 8 5.683 0.747 8.331 1.00 10.00 O ATOM 0 H GLY C 8 7.292 4.804 8.647 1.00 10.00 H new ATOM 0 HA2 GLY C 8 7.383 2.254 9.377 1.00 10.00 H new ATOM 0 HA3 GLY C 8 6.043 3.325 9.735 1.00 10.00 H new ATOM 935 N PHE C 9 4.840 2.492 7.216 1.00 10.00 N ATOM 936 CA PHE C 9 3.965 1.674 6.374 1.00 10.00 C ATOM 937 C PHE C 9 4.781 0.766 5.440 1.00 10.00 C ATOM 938 O PHE C 9 4.622 -0.453 5.447 1.00 10.00 O ATOM 939 CB PHE C 9 3.001 2.571 5.587 1.00 10.00 C ATOM 940 CG PHE C 9 2.186 1.834 4.542 1.00 10.00 C ATOM 941 CD1 PHE C 9 1.326 0.791 4.932 1.00 10.00 C ATOM 942 CD2 PHE C 9 2.372 2.108 3.173 1.00 10.00 C ATOM 943 CE1 PHE C 9 0.655 0.027 3.961 1.00 10.00 C ATOM 944 CE2 PHE C 9 1.689 1.353 2.202 1.00 10.00 C ATOM 945 CZ PHE C 9 0.838 0.306 2.596 1.00 10.00 C ATOM 0 H PHE C 9 4.764 3.495 7.046 1.00 10.00 H new ATOM 0 HA PHE C 9 3.375 1.022 7.018 1.00 10.00 H new ATOM 0 HB2 PHE C 9 2.321 3.058 6.286 1.00 10.00 H new ATOM 0 HB3 PHE C 9 3.573 3.359 5.097 1.00 10.00 H new ATOM 0 HD1 PHE C 9 1.181 0.577 5.980 1.00 10.00 H new ATOM 0 HD2 PHE C 9 3.040 2.900 2.868 1.00 10.00 H new ATOM 0 HE1 PHE C 9 -0.002 -0.775 4.264 1.00 10.00 H new ATOM 0 HE2 PHE C 9 1.819 1.578 1.154 1.00 10.00 H new ATOM 0 HZ PHE C 9 0.325 -0.283 1.850 1.00 10.00 H new ATOM 955 N THR C 10 5.683 1.354 4.652 1.00 10.00 N ATOM 956 CA THR C 10 6.588 0.612 3.774 1.00 10.00 C ATOM 957 C THR C 10 7.391 -0.436 4.556 1.00 10.00 C ATOM 958 O THR C 10 7.481 -1.597 4.157 1.00 10.00 O ATOM 959 CB THR C 10 7.517 1.604 3.058 1.00 10.00 C ATOM 960 OG1 THR C 10 6.752 2.660 2.512 1.00 10.00 O ATOM 961 CG2 THR C 10 8.287 0.934 1.919 1.00 10.00 C ATOM 0 H THR C 10 5.806 2.365 4.605 1.00 10.00 H new ATOM 0 HA THR C 10 6.001 0.070 3.032 1.00 10.00 H new ATOM 0 HB THR C 10 8.229 1.977 3.794 1.00 10.00 H new ATOM 0 HG1 THR C 10 7.346 3.293 2.057 1.00 10.00 H new ATOM 0 HG21 THR C 10 8.933 1.667 1.436 1.00 10.00 H new ATOM 0 HG22 THR C 10 8.894 0.122 2.319 1.00 10.00 H new ATOM 0 HG23 THR C 10 7.583 0.535 1.189 1.00 10.00 H new ATOM 969 N ALA C 11 7.954 -0.028 5.696 1.00 10.00 N ATOM 970 CA ALA C 11 8.683 -0.904 6.605 1.00 10.00 C ATOM 971 C ALA C 11 7.805 -2.052 7.128 1.00 10.00 C ATOM 972 O ALA C 11 8.219 -3.209 7.088 1.00 10.00 O ATOM 973 CB ALA C 11 9.280 -0.062 7.734 1.00 10.00 C ATOM 0 H ALA C 11 7.913 0.940 6.016 1.00 10.00 H new ATOM 0 HA ALA C 11 9.496 -1.387 6.062 1.00 10.00 H new ATOM 0 HB1 ALA C 11 9.828 -0.709 8.420 1.00 10.00 H new ATOM 0 HB2 ALA C 11 9.959 0.680 7.314 1.00 10.00 H new ATOM 0 HB3 ALA C 11 8.479 0.443 8.274 1.00 10.00 H new ATOM 979 N LEU C 12 6.575 -1.756 7.566 1.00 10.00 N ATOM 980 CA LEU C 12 5.578 -2.754 7.946 1.00 10.00 C ATOM 981 C LEU C 12 5.351 -3.746 6.802 1.00 10.00 C ATOM 982 O LEU C 12 5.522 -4.941 7.006 1.00 10.00 O ATOM 983 CB LEU C 12 4.287 -2.056 8.409 1.00 10.00 C ATOM 984 CG LEU C 12 3.206 -2.972 9.013 1.00 10.00 C ATOM 985 CD1 LEU C 12 2.203 -2.091 9.767 1.00 10.00 C ATOM 986 CD2 LEU C 12 2.419 -3.772 7.962 1.00 10.00 C ATOM 0 H LEU C 12 6.243 -0.797 7.667 1.00 10.00 H new ATOM 0 HA LEU C 12 5.942 -3.339 8.791 1.00 10.00 H new ATOM 0 HB2 LEU C 12 4.551 -1.301 9.149 1.00 10.00 H new ATOM 0 HB3 LEU C 12 3.856 -1.530 7.557 1.00 10.00 H new ATOM 0 HG LEU C 12 3.718 -3.687 9.657 1.00 10.00 H new ATOM 0 HD11 LEU C 12 1.426 -2.717 10.205 1.00 10.00 H new ATOM 0 HD12 LEU C 12 2.719 -1.547 10.558 1.00 10.00 H new ATOM 0 HD13 LEU C 12 1.750 -1.381 9.075 1.00 10.00 H new ATOM 0 HD21 LEU C 12 1.676 -4.394 8.460 1.00 10.00 H new ATOM 0 HD22 LEU C 12 1.918 -3.084 7.281 1.00 10.00 H new ATOM 0 HD23 LEU C 12 3.104 -4.406 7.399 1.00 10.00 H new ATOM 998 N ILE C 13 5.009 -3.275 5.597 1.00 10.00 N ATOM 999 CA ILE C 13 4.819 -4.131 4.419 1.00 10.00 C ATOM 1000 C ILE C 13 6.040 -5.034 4.164 1.00 10.00 C ATOM 1001 O ILE C 13 5.904 -6.255 4.067 1.00 10.00 O ATOM 1002 CB ILE C 13 4.463 -3.264 3.193 1.00 10.00 C ATOM 1003 CG1 ILE C 13 3.082 -2.588 3.328 1.00 10.00 C ATOM 1004 CG2 ILE C 13 4.539 -4.057 1.880 1.00 10.00 C ATOM 1005 CD1 ILE C 13 1.883 -3.535 3.193 1.00 10.00 C ATOM 0 H ILE C 13 4.855 -2.284 5.410 1.00 10.00 H new ATOM 0 HA ILE C 13 3.984 -4.805 4.610 1.00 10.00 H new ATOM 0 HB ILE C 13 5.217 -2.478 3.160 1.00 10.00 H new ATOM 0 HG12 ILE C 13 3.029 -2.094 4.298 1.00 10.00 H new ATOM 0 HG13 ILE C 13 2.999 -1.810 2.569 1.00 10.00 H new ATOM 0 HG21 ILE C 13 4.280 -3.405 1.046 1.00 10.00 H new ATOM 0 HG22 ILE C 13 5.551 -4.438 1.743 1.00 10.00 H new ATOM 0 HG23 ILE C 13 3.840 -4.892 1.918 1.00 10.00 H new ATOM 0 HD11 ILE C 13 0.958 -2.969 3.302 1.00 10.00 H new ATOM 0 HD12 ILE C 13 1.904 -4.011 2.213 1.00 10.00 H new ATOM 0 HD13 ILE C 13 1.934 -4.299 3.968 1.00 10.00 H new ATOM 1017 N LYS C 14 7.242 -4.456 4.084 1.00 10.00 N ATOM 1018 CA LYS C 14 8.486 -5.216 3.945 1.00 10.00 C ATOM 1019 C LYS C 14 8.620 -6.296 5.036 1.00 10.00 C ATOM 1020 O LYS C 14 8.897 -7.463 4.758 1.00 10.00 O ATOM 1021 CB LYS C 14 9.663 -4.230 3.990 1.00 10.00 C ATOM 1022 CG LYS C 14 11.012 -4.940 3.817 1.00 10.00 C ATOM 1023 CD LYS C 14 12.195 -3.961 3.891 1.00 10.00 C ATOM 1024 CE LYS C 14 12.300 -3.208 5.225 1.00 10.00 C ATOM 1025 NZ LYS C 14 12.263 -4.115 6.387 1.00 10.00 N ATOM 0 H LYS C 14 7.379 -3.446 4.114 1.00 10.00 H new ATOM 0 HA LYS C 14 8.482 -5.743 2.991 1.00 10.00 H new ATOM 0 HB2 LYS C 14 9.542 -3.484 3.204 1.00 10.00 H new ATOM 0 HB3 LYS C 14 9.653 -3.696 4.940 1.00 10.00 H new ATOM 0 HG2 LYS C 14 11.123 -5.700 4.590 1.00 10.00 H new ATOM 0 HG3 LYS C 14 11.029 -5.456 2.857 1.00 10.00 H new ATOM 0 HD2 LYS C 14 13.120 -4.512 3.723 1.00 10.00 H new ATOM 0 HD3 LYS C 14 12.104 -3.236 3.082 1.00 10.00 H new ATOM 0 HE2 LYS C 14 13.227 -2.635 5.244 1.00 10.00 H new ATOM 0 HE3 LYS C 14 11.482 -2.492 5.300 1.00 10.00 H new ATOM 0 HZ1 LYS C 14 12.422 -3.570 7.258 1.00 10.00 H new ATOM 0 HZ2 LYS C 14 11.334 -4.581 6.434 1.00 10.00 H new ATOM 0 HZ3 LYS C 14 13.007 -4.835 6.289 1.00 10.00 H new ATOM 1039 N THR C 15 8.427 -5.899 6.294 1.00 10.00 N ATOM 1040 CA THR C 15 8.521 -6.794 7.445 1.00 10.00 C ATOM 1041 C THR C 15 7.444 -7.889 7.405 1.00 10.00 C ATOM 1042 O THR C 15 7.710 -9.034 7.761 1.00 10.00 O ATOM 1043 CB THR C 15 8.475 -5.978 8.743 1.00 10.00 C ATOM 1044 OG1 THR C 15 9.487 -4.996 8.721 1.00 10.00 O ATOM 1045 CG2 THR C 15 8.759 -6.852 9.959 1.00 10.00 C ATOM 0 H THR C 15 8.199 -4.937 6.544 1.00 10.00 H new ATOM 0 HA THR C 15 9.478 -7.314 7.406 1.00 10.00 H new ATOM 0 HB THR C 15 7.479 -5.542 8.811 1.00 10.00 H new ATOM 0 HG1 THR C 15 9.195 -4.238 8.172 1.00 10.00 H new ATOM 0 HG21 THR C 15 8.719 -6.243 10.862 1.00 10.00 H new ATOM 0 HG22 THR C 15 8.012 -7.643 10.021 1.00 10.00 H new ATOM 0 HG23 THR C 15 9.750 -7.296 9.865 1.00 10.00 H new ATOM 1053 N LEU C 16 6.238 -7.563 6.933 1.00 10.00 N ATOM 1054 CA LEU C 16 5.168 -8.522 6.675 1.00 10.00 C ATOM 1055 C LEU C 16 5.636 -9.556 5.650 1.00 10.00 C ATOM 1056 O LEU C 16 5.574 -10.757 5.908 1.00 10.00 O ATOM 1057 CB LEU C 16 3.899 -7.777 6.223 1.00 10.00 C ATOM 1058 CG LEU C 16 2.607 -8.595 6.396 1.00 10.00 C ATOM 1059 CD1 LEU C 16 1.413 -7.640 6.520 1.00 10.00 C ATOM 1060 CD2 LEU C 16 2.349 -9.535 5.213 1.00 10.00 C ATOM 0 H LEU C 16 5.975 -6.602 6.716 1.00 10.00 H new ATOM 0 HA LEU C 16 4.919 -9.062 7.589 1.00 10.00 H new ATOM 0 HB2 LEU C 16 3.811 -6.851 6.790 1.00 10.00 H new ATOM 0 HB3 LEU C 16 4.005 -7.500 5.174 1.00 10.00 H new ATOM 0 HG LEU C 16 2.727 -9.200 7.295 1.00 10.00 H new ATOM 0 HD11 LEU C 16 0.497 -8.217 6.643 1.00 10.00 H new ATOM 0 HD12 LEU C 16 1.553 -6.993 7.386 1.00 10.00 H new ATOM 0 HD13 LEU C 16 1.340 -7.030 5.620 1.00 10.00 H new ATOM 0 HD21 LEU C 16 1.426 -10.089 5.383 1.00 10.00 H new ATOM 0 HD22 LEU C 16 2.258 -8.951 4.297 1.00 10.00 H new ATOM 0 HD23 LEU C 16 3.180 -10.234 5.116 1.00 10.00 H new ATOM 1072 N ARG C 17 6.147 -9.088 4.506 1.00 10.00 N ATOM 1073 CA ARG C 17 6.721 -9.958 3.484 1.00 10.00 C ATOM 1074 C ARG C 17 7.782 -10.901 4.074 1.00 10.00 C ATOM 1075 O ARG C 17 7.718 -12.108 3.861 1.00 10.00 O ATOM 1076 CB ARG C 17 7.269 -9.117 2.323 1.00 10.00 C ATOM 1077 CG ARG C 17 7.605 -10.029 1.138 1.00 10.00 C ATOM 1078 CD ARG C 17 8.090 -9.247 -0.086 1.00 10.00 C ATOM 1079 NE ARG C 17 7.042 -8.360 -0.616 1.00 10.00 N ATOM 1080 CZ ARG C 17 5.976 -8.740 -1.330 1.00 10.00 C ATOM 1081 NH1 ARG C 17 5.731 -10.020 -1.602 1.00 10.00 N ATOM 1082 NH2 ARG C 17 5.136 -7.813 -1.780 1.00 10.00 N ATOM 0 H ARG C 17 6.172 -8.097 4.267 1.00 10.00 H new ATOM 0 HA ARG C 17 5.932 -10.598 3.089 1.00 10.00 H new ATOM 0 HB2 ARG C 17 6.533 -8.371 2.023 1.00 10.00 H new ATOM 0 HB3 ARG C 17 8.160 -8.576 2.642 1.00 10.00 H new ATOM 0 HG2 ARG C 17 8.374 -10.741 1.438 1.00 10.00 H new ATOM 0 HG3 ARG C 17 6.722 -10.609 0.868 1.00 10.00 H new ATOM 0 HD2 ARG C 17 8.965 -8.656 0.183 1.00 10.00 H new ATOM 0 HD3 ARG C 17 8.403 -9.945 -0.863 1.00 10.00 H new ATOM 0 HE ARG C 17 7.137 -7.363 -0.421 1.00 10.00 H new ATOM 0 HH11 ARG C 17 6.365 -10.744 -1.263 1.00 10.00 H new ATOM 0 HH12 ARG C 17 4.909 -10.277 -2.149 1.00 10.00 H new ATOM 0 HH21 ARG C 17 5.309 -6.828 -1.580 1.00 10.00 H new ATOM 0 HH22 ARG C 17 4.319 -8.087 -2.326 1.00 10.00 H new ATOM 1096 N LYS C 18 8.729 -10.367 4.856 1.00 10.00 N ATOM 1097 CA LYS C 18 9.689 -11.196 5.587 1.00 10.00 C ATOM 1098 C LYS C 18 8.996 -12.234 6.488 1.00 10.00 C ATOM 1099 O LYS C 18 9.198 -13.434 6.310 1.00 10.00 O ATOM 1100 CB LYS C 18 10.661 -10.319 6.390 1.00 10.00 C ATOM 1101 CG LYS C 18 11.663 -9.601 5.479 1.00 10.00 C ATOM 1102 CD LYS C 18 12.646 -8.786 6.332 1.00 10.00 C ATOM 1103 CE LYS C 18 13.856 -8.325 5.512 1.00 10.00 C ATOM 1104 NZ LYS C 18 13.463 -7.446 4.398 1.00 10.00 N ATOM 0 H LYS C 18 8.849 -9.364 4.997 1.00 10.00 H new ATOM 0 HA LYS C 18 10.262 -11.757 4.849 1.00 10.00 H new ATOM 0 HB2 LYS C 18 10.098 -9.582 6.963 1.00 10.00 H new ATOM 0 HB3 LYS C 18 11.200 -10.937 7.108 1.00 10.00 H new ATOM 0 HG2 LYS C 18 12.206 -10.328 4.876 1.00 10.00 H new ATOM 0 HG3 LYS C 18 11.135 -8.944 4.788 1.00 10.00 H new ATOM 0 HD2 LYS C 18 12.135 -7.917 6.747 1.00 10.00 H new ATOM 0 HD3 LYS C 18 12.985 -9.389 7.174 1.00 10.00 H new ATOM 0 HE2 LYS C 18 14.555 -7.797 6.161 1.00 10.00 H new ATOM 0 HE3 LYS C 18 14.381 -9.196 5.119 1.00 10.00 H new ATOM 0 HZ1 LYS C 18 14.308 -7.170 3.858 1.00 10.00 H new ATOM 0 HZ2 LYS C 18 12.803 -7.951 3.773 1.00 10.00 H new ATOM 0 HZ3 LYS C 18 13.000 -6.594 4.775 1.00 10.00 H new ATOM 1118 N CYS C 19 8.174 -11.793 7.446 1.00 10.00 N ATOM 1119 CA CYS C 19 7.435 -12.661 8.369 1.00 10.00 C ATOM 1120 C CYS C 19 6.698 -13.806 7.653 1.00 10.00 C ATOM 1121 O CYS C 19 6.785 -14.958 8.069 1.00 10.00 O ATOM 1122 CB CYS C 19 6.462 -11.808 9.192 1.00 10.00 C ATOM 1123 SG CYS C 19 5.312 -12.726 10.251 1.00 10.00 S ATOM 0 H CYS C 19 8.000 -10.801 7.605 1.00 10.00 H new ATOM 0 HA CYS C 19 8.158 -13.139 9.030 1.00 10.00 H new ATOM 0 HB2 CYS C 19 7.042 -11.131 9.819 1.00 10.00 H new ATOM 0 HB3 CYS C 19 5.881 -11.190 8.507 1.00 10.00 H new ATOM 0 HG CYS C 19 5.021 -12.012 11.297 1.00 10.00 H new ATOM 1278 N ILE D 7 -3.007 9.279 16.292 1.00 10.00 N ATOM 1279 CA ILE D 7 -2.074 8.680 17.252 1.00 10.00 C ATOM 1280 C ILE D 7 -2.383 7.192 17.500 1.00 10.00 C ATOM 1281 O ILE D 7 -1.469 6.373 17.554 1.00 10.00 O ATOM 1282 CB ILE D 7 -1.938 9.512 18.541 1.00 10.00 C ATOM 1283 CG1 ILE D 7 -3.243 9.593 19.348 1.00 10.00 C ATOM 1284 CG2 ILE D 7 -1.411 10.912 18.194 1.00 10.00 C ATOM 1285 CD1 ILE D 7 -3.070 10.316 20.686 1.00 10.00 C ATOM 0 HA ILE D 7 -1.083 8.703 16.798 1.00 10.00 H new ATOM 0 HB ILE D 7 -1.224 9.002 19.187 1.00 10.00 H new ATOM 0 HG12 ILE D 7 -3.999 10.109 18.756 1.00 10.00 H new ATOM 0 HG13 ILE D 7 -3.615 8.585 19.531 1.00 10.00 H new ATOM 0 HG21 ILE D 7 -1.315 11.501 19.106 1.00 10.00 H new ATOM 0 HG22 ILE D 7 -0.436 10.825 17.714 1.00 10.00 H new ATOM 0 HG23 ILE D 7 -2.107 11.405 17.516 1.00 10.00 H new ATOM 0 HD11 ILE D 7 -4.025 10.342 21.211 1.00 10.00 H new ATOM 0 HD12 ILE D 7 -2.336 9.787 21.293 1.00 10.00 H new ATOM 0 HD13 ILE D 7 -2.726 11.335 20.507 1.00 10.00 H new ATOM 1297 N GLU D 8 -3.665 6.822 17.588 1.00 10.00 N ATOM 1298 CA GLU D 8 -4.108 5.434 17.668 1.00 10.00 C ATOM 1299 C GLU D 8 -3.647 4.634 16.437 1.00 10.00 C ATOM 1300 O GLU D 8 -3.049 3.567 16.577 1.00 10.00 O ATOM 1301 CB GLU D 8 -5.632 5.418 17.872 1.00 10.00 C ATOM 1302 CG GLU D 8 -6.191 4.043 18.280 1.00 10.00 C ATOM 1303 CD GLU D 8 -6.175 3.001 17.164 1.00 10.00 C ATOM 1304 OE1 GLU D 8 -6.569 3.365 16.035 1.00 10.00 O ATOM 1305 OE2 GLU D 8 -5.777 1.855 17.466 1.00 10.00 O ATOM 0 H GLU D 8 -4.433 7.493 17.606 1.00 10.00 H new ATOM 0 HA GLU D 8 -3.649 4.936 18.522 1.00 10.00 H new ATOM 0 HB2 GLU D 8 -5.894 6.148 18.638 1.00 10.00 H new ATOM 0 HB3 GLU D 8 -6.116 5.737 16.949 1.00 10.00 H new ATOM 0 HG2 GLU D 8 -5.613 3.664 19.123 1.00 10.00 H new ATOM 0 HG3 GLU D 8 -7.216 4.170 18.628 1.00 10.00 H new ATOM 1312 N ALA D 9 -3.883 5.165 15.231 1.00 10.00 N ATOM 1313 CA ALA D 9 -3.400 4.573 13.987 1.00 10.00 C ATOM 1314 C ALA D 9 -1.894 4.290 14.041 1.00 10.00 C ATOM 1315 O ALA D 9 -1.457 3.166 13.799 1.00 10.00 O ATOM 1316 CB ALA D 9 -3.784 5.448 12.789 1.00 10.00 C ATOM 0 H ALA D 9 -4.418 6.023 15.095 1.00 10.00 H new ATOM 0 HA ALA D 9 -3.889 3.607 13.858 1.00 10.00 H new ATOM 0 HB1 ALA D 9 -3.415 4.990 11.871 1.00 10.00 H new ATOM 0 HB2 ALA D 9 -4.869 5.540 12.738 1.00 10.00 H new ATOM 0 HB3 ALA D 9 -3.341 6.437 12.904 1.00 10.00 H new ATOM 1322 N ARG D 10 -1.099 5.302 14.405 1.00 10.00 N ATOM 1323 CA ARG D 10 0.344 5.165 14.594 1.00 10.00 C ATOM 1324 C ARG D 10 0.702 4.093 15.640 1.00 10.00 C ATOM 1325 O ARG D 10 1.557 3.246 15.388 1.00 10.00 O ATOM 1326 CB ARG D 10 0.944 6.529 14.954 1.00 10.00 C ATOM 1327 CG ARG D 10 0.850 7.494 13.766 1.00 10.00 C ATOM 1328 CD ARG D 10 1.279 8.901 14.181 1.00 10.00 C ATOM 1329 NE ARG D 10 1.159 9.821 13.045 1.00 10.00 N ATOM 1330 CZ ARG D 10 1.516 11.107 13.051 1.00 10.00 C ATOM 1331 NH1 ARG D 10 2.008 11.693 14.136 1.00 10.00 N ATOM 1332 NH2 ARG D 10 1.403 11.828 11.945 1.00 10.00 N ATOM 0 H ARG D 10 -1.445 6.246 14.577 1.00 10.00 H new ATOM 0 HA ARG D 10 0.779 4.821 13.655 1.00 10.00 H new ATOM 0 HB2 ARG D 10 0.418 6.948 15.812 1.00 10.00 H new ATOM 0 HB3 ARG D 10 1.986 6.407 15.248 1.00 10.00 H new ATOM 0 HG2 ARG D 10 1.483 7.140 12.952 1.00 10.00 H new ATOM 0 HG3 ARG D 10 -0.172 7.516 13.388 1.00 10.00 H new ATOM 0 HD2 ARG D 10 0.660 9.249 15.008 1.00 10.00 H new ATOM 0 HD3 ARG D 10 2.309 8.885 14.539 1.00 10.00 H new ATOM 0 HE ARG D 10 0.771 9.447 12.179 1.00 10.00 H new ATOM 0 HH11 ARG D 10 2.122 11.158 14.997 1.00 10.00 H new ATOM 0 HH12 ARG D 10 2.272 12.678 14.109 1.00 10.00 H new ATOM 0 HH21 ARG D 10 1.044 11.400 11.092 1.00 10.00 H new ATOM 0 HH22 ARG D 10 1.675 12.811 11.947 1.00 10.00 H new ATOM 1346 N LYS D 11 0.050 4.105 16.808 1.00 10.00 N ATOM 1347 CA LYS D 11 0.261 3.091 17.841 1.00 10.00 C ATOM 1348 C LYS D 11 -0.006 1.667 17.328 1.00 10.00 C ATOM 1349 O LYS D 11 0.841 0.787 17.501 1.00 10.00 O ATOM 1350 CB LYS D 11 -0.590 3.400 19.081 1.00 10.00 C ATOM 1351 CG LYS D 11 -0.014 4.575 19.881 1.00 10.00 C ATOM 1352 CD LYS D 11 -0.959 4.914 21.040 1.00 10.00 C ATOM 1353 CE LYS D 11 -0.388 6.026 21.927 1.00 10.00 C ATOM 1354 NZ LYS D 11 -0.295 7.304 21.201 1.00 10.00 N ATOM 0 H LYS D 11 -0.636 4.816 17.061 1.00 10.00 H new ATOM 0 HA LYS D 11 1.314 3.130 18.121 1.00 10.00 H new ATOM 0 HB2 LYS D 11 -1.610 3.633 18.775 1.00 10.00 H new ATOM 0 HB3 LYS D 11 -0.642 2.516 19.717 1.00 10.00 H new ATOM 0 HG2 LYS D 11 0.973 4.318 20.265 1.00 10.00 H new ATOM 0 HG3 LYS D 11 0.112 5.443 19.234 1.00 10.00 H new ATOM 0 HD2 LYS D 11 -1.926 5.225 20.643 1.00 10.00 H new ATOM 0 HD3 LYS D 11 -1.133 4.022 21.641 1.00 10.00 H new ATOM 0 HE2 LYS D 11 -1.020 6.151 22.806 1.00 10.00 H new ATOM 0 HE3 LYS D 11 0.601 5.736 22.283 1.00 10.00 H new ATOM 0 HZ1 LYS D 11 0.702 7.593 21.133 1.00 10.00 H new ATOM 0 HZ2 LYS D 11 -0.688 7.190 20.245 1.00 10.00 H new ATOM 0 HZ3 LYS D 11 -0.833 8.033 21.712 1.00 10.00 H new ATOM 1368 N TYR D 12 -1.162 1.415 16.699 1.00 10.00 N ATOM 1369 CA TYR D 12 -1.428 0.078 16.169 1.00 10.00 C ATOM 1370 C TYR D 12 -0.472 -0.276 15.021 1.00 10.00 C ATOM 1371 O TYR D 12 0.030 -1.394 14.984 1.00 10.00 O ATOM 1372 CB TYR D 12 -2.918 -0.167 15.875 1.00 10.00 C ATOM 1373 CG TYR D 12 -3.407 0.092 14.462 1.00 10.00 C ATOM 1374 CD1 TYR D 12 -3.066 -0.793 13.420 1.00 10.00 C ATOM 1375 CD2 TYR D 12 -4.356 1.100 14.225 1.00 10.00 C ATOM 1376 CE1 TYR D 12 -3.548 -0.572 12.120 1.00 10.00 C ATOM 1377 CE2 TYR D 12 -4.863 1.303 12.928 1.00 10.00 C ATOM 1378 CZ TYR D 12 -4.416 0.501 11.872 1.00 10.00 C ATOM 1379 OH TYR D 12 -4.773 0.807 10.596 1.00 10.00 O ATOM 0 H TYR D 12 -1.905 2.098 16.549 1.00 10.00 H new ATOM 0 HA TYR D 12 -1.203 -0.640 16.958 1.00 10.00 H new ATOM 0 HB2 TYR D 12 -3.143 -1.204 16.124 1.00 10.00 H new ATOM 0 HB3 TYR D 12 -3.501 0.457 16.552 1.00 10.00 H new ATOM 0 HD1 TYR D 12 -2.432 -1.644 13.622 1.00 10.00 H new ATOM 0 HD2 TYR D 12 -4.697 1.721 15.040 1.00 10.00 H new ATOM 0 HE1 TYR D 12 -3.251 -1.226 11.314 1.00 10.00 H new ATOM 0 HE2 TYR D 12 -5.595 2.076 12.748 1.00 10.00 H new ATOM 0 HH TYR D 12 -3.968 0.977 10.063 1.00 10.00 H new ATOM 1389 N LEU D 13 -0.170 0.666 14.115 1.00 10.00 N ATOM 1390 CA LEU D 13 0.855 0.487 13.080 1.00 10.00 C ATOM 1391 C LEU D 13 2.168 -0.008 13.700 1.00 10.00 C ATOM 1392 O LEU D 13 2.662 -1.076 13.340 1.00 10.00 O ATOM 1393 CB LEU D 13 1.037 1.801 12.296 1.00 10.00 C ATOM 1394 CG LEU D 13 1.873 1.686 11.006 1.00 10.00 C ATOM 1395 CD1 LEU D 13 1.588 2.905 10.118 1.00 10.00 C ATOM 1396 CD2 LEU D 13 3.384 1.635 11.268 1.00 10.00 C ATOM 0 H LEU D 13 -0.632 1.575 14.081 1.00 10.00 H new ATOM 0 HA LEU D 13 0.531 -0.279 12.375 1.00 10.00 H new ATOM 0 HB2 LEU D 13 0.052 2.191 12.038 1.00 10.00 H new ATOM 0 HB3 LEU D 13 1.508 2.534 12.951 1.00 10.00 H new ATOM 0 HG LEU D 13 1.586 0.751 10.526 1.00 10.00 H new ATOM 0 HD11 LEU D 13 2.175 2.833 9.202 1.00 10.00 H new ATOM 0 HD12 LEU D 13 0.527 2.933 9.868 1.00 10.00 H new ATOM 0 HD13 LEU D 13 1.859 3.816 10.652 1.00 10.00 H new ATOM 0 HD21 LEU D 13 3.915 1.554 10.320 1.00 10.00 H new ATOM 0 HD22 LEU D 13 3.695 2.545 11.782 1.00 10.00 H new ATOM 0 HD23 LEU D 13 3.617 0.770 11.889 1.00 10.00 H new ATOM 1408 N GLU D 14 2.707 0.750 14.662 1.00 10.00 N ATOM 1409 CA GLU D 14 3.904 0.387 15.412 1.00 10.00 C ATOM 1410 C GLU D 14 3.800 -1.033 15.988 1.00 10.00 C ATOM 1411 O GLU D 14 4.651 -1.872 15.715 1.00 10.00 O ATOM 1412 CB GLU D 14 4.144 1.433 16.512 1.00 10.00 C ATOM 1413 CG GLU D 14 5.408 1.108 17.329 1.00 10.00 C ATOM 1414 CD GLU D 14 5.560 1.974 18.575 1.00 10.00 C ATOM 1415 OE1 GLU D 14 4.559 2.080 19.318 1.00 10.00 O ATOM 1416 OE2 GLU D 14 6.691 2.456 18.801 1.00 10.00 O ATOM 0 H GLU D 14 2.313 1.648 14.942 1.00 10.00 H new ATOM 0 HA GLU D 14 4.760 0.381 14.738 1.00 10.00 H new ATOM 0 HB2 GLU D 14 4.244 2.421 16.062 1.00 10.00 H new ATOM 0 HB3 GLU D 14 3.280 1.471 17.175 1.00 10.00 H new ATOM 0 HG2 GLU D 14 5.381 0.059 17.625 1.00 10.00 H new ATOM 0 HG3 GLU D 14 6.285 1.238 16.695 1.00 10.00 H new ATOM 1423 N GLN D 15 2.770 -1.312 16.790 1.00 10.00 N ATOM 1424 CA GLN D 15 2.599 -2.614 17.438 1.00 10.00 C ATOM 1425 C GLN D 15 2.496 -3.770 16.427 1.00 10.00 C ATOM 1426 O GLN D 15 3.144 -4.803 16.593 1.00 10.00 O ATOM 1427 CB GLN D 15 1.393 -2.552 18.389 1.00 10.00 C ATOM 1428 CG GLN D 15 1.795 -2.213 19.836 1.00 10.00 C ATOM 1429 CD GLN D 15 2.865 -1.132 19.976 1.00 10.00 C ATOM 1430 OE1 GLN D 15 3.949 -1.392 20.487 1.00 10.00 O ATOM 1431 NE2 GLN D 15 2.594 0.085 19.529 1.00 10.00 N ATOM 0 H GLN D 15 2.032 -0.643 17.008 1.00 10.00 H new ATOM 0 HA GLN D 15 3.493 -2.831 18.023 1.00 10.00 H new ATOM 0 HB2 GLN D 15 0.688 -1.803 18.027 1.00 10.00 H new ATOM 0 HB3 GLN D 15 0.875 -3.511 18.375 1.00 10.00 H new ATOM 0 HG2 GLN D 15 0.905 -1.894 20.378 1.00 10.00 H new ATOM 0 HG3 GLN D 15 2.154 -3.122 20.319 1.00 10.00 H new ATOM 0 HE21 GLN D 15 1.687 0.283 19.107 1.00 10.00 H new ATOM 0 HE22 GLN D 15 3.292 0.824 19.607 1.00 10.00 H new ATOM 1440 N LEU D 16 1.712 -3.598 15.363 1.00 10.00 N ATOM 1441 CA LEU D 16 1.568 -4.587 14.297 1.00 10.00 C ATOM 1442 C LEU D 16 2.922 -4.831 13.605 1.00 10.00 C ATOM 1443 O LEU D 16 3.390 -5.967 13.519 1.00 10.00 O ATOM 1444 CB LEU D 16 0.450 -4.115 13.351 1.00 10.00 C ATOM 1445 CG LEU D 16 -0.281 -5.237 12.598 1.00 10.00 C ATOM 1446 CD1 LEU D 16 -1.540 -4.662 11.941 1.00 10.00 C ATOM 1447 CD2 LEU D 16 0.589 -5.885 11.523 1.00 10.00 C ATOM 0 H LEU D 16 1.153 -2.758 15.216 1.00 10.00 H new ATOM 0 HA LEU D 16 1.272 -5.559 14.691 1.00 10.00 H new ATOM 0 HB2 LEU D 16 -0.281 -3.551 13.930 1.00 10.00 H new ATOM 0 HB3 LEU D 16 0.878 -3.428 12.621 1.00 10.00 H new ATOM 0 HG LEU D 16 -0.534 -6.008 13.325 1.00 10.00 H new ATOM 0 HD11 LEU D 16 -2.064 -5.453 11.405 1.00 10.00 H new ATOM 0 HD12 LEU D 16 -2.195 -4.249 12.708 1.00 10.00 H new ATOM 0 HD13 LEU D 16 -1.258 -3.875 11.242 1.00 10.00 H new ATOM 0 HD21 LEU D 16 0.024 -6.671 11.022 1.00 10.00 H new ATOM 0 HD22 LEU D 16 0.888 -5.132 10.794 1.00 10.00 H new ATOM 0 HD23 LEU D 16 1.478 -6.315 11.985 1.00 10.00 H new ATOM 1459 N HIS D 17 3.602 -3.763 13.173 1.00 10.00 N ATOM 1460 CA HIS D 17 4.959 -3.842 12.634 1.00 10.00 C ATOM 1461 C HIS D 17 5.930 -4.539 13.605 1.00 10.00 C ATOM 1462 O HIS D 17 6.744 -5.358 13.185 1.00 10.00 O ATOM 1463 CB HIS D 17 5.442 -2.430 12.276 1.00 10.00 C ATOM 1464 CG HIS D 17 6.762 -2.370 11.545 1.00 10.00 C ATOM 1465 ND1 HIS D 17 7.745 -3.338 11.525 1.00 10.00 N ATOM 1466 CD2 HIS D 17 7.241 -1.287 10.857 1.00 10.00 C ATOM 1467 CE1 HIS D 17 8.792 -2.840 10.849 1.00 10.00 C ATOM 1468 NE2 HIS D 17 8.531 -1.596 10.421 1.00 10.00 N ATOM 0 H HIS D 17 3.222 -2.816 13.189 1.00 10.00 H new ATOM 0 HA HIS D 17 4.939 -4.455 11.733 1.00 10.00 H new ATOM 0 HB2 HIS D 17 4.682 -1.948 11.661 1.00 10.00 H new ATOM 0 HB3 HIS D 17 5.526 -1.848 13.194 1.00 10.00 H new ATOM 0 HD1 HIS D 17 7.687 -4.265 11.948 1.00 10.00 H new ATOM 0 HD2 HIS D 17 6.715 -0.360 10.683 1.00 10.00 H new ATOM 0 HE1 HIS D 17 9.717 -3.368 10.674 1.00 10.00 H new ATOM 1476 N ARG D 18 5.865 -4.206 14.894 1.00 10.00 N ATOM 1477 CA ARG D 18 6.695 -4.778 15.948 1.00 10.00 C ATOM 1478 C ARG D 18 6.440 -6.285 16.108 1.00 10.00 C ATOM 1479 O ARG D 18 7.385 -7.072 16.178 1.00 10.00 O ATOM 1480 CB ARG D 18 6.447 -3.976 17.233 1.00 10.00 C ATOM 1481 CG ARG D 18 7.317 -4.398 18.421 1.00 10.00 C ATOM 1482 CD ARG D 18 7.193 -3.344 19.531 1.00 10.00 C ATOM 1483 NE ARG D 18 7.891 -2.104 19.149 1.00 10.00 N ATOM 1484 CZ ARG D 18 7.572 -0.848 19.487 1.00 10.00 C ATOM 1485 NH1 ARG D 18 6.505 -0.550 20.224 1.00 10.00 N ATOM 1486 NH2 ARG D 18 8.342 0.150 19.062 1.00 10.00 N ATOM 0 H ARG D 18 5.210 -3.506 15.243 1.00 10.00 H new ATOM 0 HA ARG D 18 7.751 -4.700 15.690 1.00 10.00 H new ATOM 0 HB2 ARG D 18 6.622 -2.920 17.027 1.00 10.00 H new ATOM 0 HB3 ARG D 18 5.398 -4.076 17.513 1.00 10.00 H new ATOM 0 HG2 ARG D 18 7.001 -5.373 18.791 1.00 10.00 H new ATOM 0 HG3 ARG D 18 8.357 -4.496 18.110 1.00 10.00 H new ATOM 0 HD2 ARG D 18 6.141 -3.131 19.722 1.00 10.00 H new ATOM 0 HD3 ARG D 18 7.613 -3.733 20.458 1.00 10.00 H new ATOM 0 HE ARG D 18 8.714 -2.215 18.557 1.00 10.00 H new ATOM 0 HH11 ARG D 18 5.891 -1.294 20.556 1.00 10.00 H new ATOM 0 HH12 ARG D 18 6.301 0.422 20.457 1.00 10.00 H new ATOM 0 HH21 ARG D 18 9.161 -0.047 18.488 1.00 10.00 H new ATOM 0 HH22 ARG D 18 8.113 1.112 19.311 1.00 10.00 H new ATOM 1500 N LYS D 19 5.174 -6.713 16.113 1.00 10.00 N ATOM 1501 CA LYS D 19 4.826 -8.130 16.055 1.00 10.00 C ATOM 1502 C LYS D 19 5.422 -8.798 14.804 1.00 10.00 C ATOM 1503 O LYS D 19 6.113 -9.811 14.908 1.00 10.00 O ATOM 1504 CB LYS D 19 3.300 -8.289 16.136 1.00 10.00 C ATOM 1505 CG LYS D 19 2.809 -9.736 15.965 1.00 10.00 C ATOM 1506 CD LYS D 19 3.411 -10.689 17.011 1.00 10.00 C ATOM 1507 CE LYS D 19 2.870 -12.114 16.850 1.00 10.00 C ATOM 1508 NZ LYS D 19 1.430 -12.197 17.153 1.00 10.00 N ATOM 0 H LYS D 19 4.368 -6.089 16.157 1.00 10.00 H new ATOM 0 HA LYS D 19 5.263 -8.644 16.911 1.00 10.00 H new ATOM 0 HB2 LYS D 19 2.957 -7.912 17.099 1.00 10.00 H new ATOM 0 HB3 LYS D 19 2.840 -7.667 15.368 1.00 10.00 H new ATOM 0 HG2 LYS D 19 1.722 -9.759 16.040 1.00 10.00 H new ATOM 0 HG3 LYS D 19 3.067 -10.088 14.966 1.00 10.00 H new ATOM 0 HD2 LYS D 19 4.497 -10.698 16.914 1.00 10.00 H new ATOM 0 HD3 LYS D 19 3.183 -10.323 18.012 1.00 10.00 H new ATOM 0 HE2 LYS D 19 3.046 -12.455 15.830 1.00 10.00 H new ATOM 0 HE3 LYS D 19 3.418 -12.786 17.510 1.00 10.00 H new ATOM 0 HZ1 LYS D 19 1.142 -13.195 17.198 1.00 10.00 H new ATOM 0 HZ2 LYS D 19 1.241 -11.741 18.068 1.00 10.00 H new ATOM 0 HZ3 LYS D 19 0.890 -11.714 16.407 1.00 10.00 H new ATOM 1522 N LEU D 20 5.188 -8.222 13.620 1.00 10.00 N ATOM 1523 CA LEU D 20 5.760 -8.728 12.370 1.00 10.00 C ATOM 1524 C LEU D 20 7.296 -8.734 12.371 1.00 10.00 C ATOM 1525 O LEU D 20 7.909 -9.584 11.731 1.00 10.00 O ATOM 1526 CB LEU D 20 5.219 -7.932 11.178 1.00 10.00 C ATOM 1527 CG LEU D 20 3.708 -8.103 10.967 1.00 10.00 C ATOM 1528 CD1 LEU D 20 3.261 -7.068 9.933 1.00 10.00 C ATOM 1529 CD2 LEU D 20 3.341 -9.509 10.477 1.00 10.00 C ATOM 0 H LEU D 20 4.600 -7.397 13.502 1.00 10.00 H new ATOM 0 HA LEU D 20 5.450 -9.769 12.278 1.00 10.00 H new ATOM 0 HB2 LEU D 20 5.441 -6.875 11.326 1.00 10.00 H new ATOM 0 HB3 LEU D 20 5.742 -8.244 10.274 1.00 10.00 H new ATOM 0 HG LEU D 20 3.204 -7.959 11.923 1.00 10.00 H new ATOM 0 HD11 LEU D 20 2.189 -7.165 9.761 1.00 10.00 H new ATOM 0 HD12 LEU D 20 3.480 -6.066 10.303 1.00 10.00 H new ATOM 0 HD13 LEU D 20 3.795 -7.234 8.997 1.00 10.00 H new ATOM 0 HD21 LEU D 20 2.261 -9.578 10.344 1.00 10.00 H new ATOM 0 HD22 LEU D 20 3.837 -9.704 9.526 1.00 10.00 H new ATOM 0 HD23 LEU D 20 3.663 -10.246 11.212 1.00 10.00 H new ATOM 1541 N LYS D 21 7.943 -7.811 13.085 1.00 10.00 N ATOM 1542 CA LYS D 21 9.378 -7.888 13.328 1.00 10.00 C ATOM 1543 C LYS D 21 9.692 -9.142 14.159 1.00 10.00 C ATOM 1544 O LYS D 21 10.348 -10.061 13.671 1.00 10.00 O ATOM 1545 CB LYS D 21 9.866 -6.585 13.981 1.00 10.00 C ATOM 1546 CG LYS D 21 11.393 -6.543 14.081 1.00 10.00 C ATOM 1547 CD LYS D 21 11.839 -5.267 14.806 1.00 10.00 C ATOM 1548 CE LYS D 21 13.363 -5.106 14.767 1.00 10.00 C ATOM 1549 NZ LYS D 21 14.056 -6.253 15.380 1.00 10.00 N ATOM 0 H LYS D 21 7.490 -6.999 13.505 1.00 10.00 H new ATOM 0 HA LYS D 21 9.922 -7.987 12.389 1.00 10.00 H new ATOM 0 HB2 LYS D 21 9.515 -5.732 13.400 1.00 10.00 H new ATOM 0 HB3 LYS D 21 9.433 -6.492 14.977 1.00 10.00 H new ATOM 0 HG2 LYS D 21 11.754 -7.420 14.617 1.00 10.00 H new ATOM 0 HG3 LYS D 21 11.832 -6.576 13.084 1.00 10.00 H new ATOM 0 HD2 LYS D 21 11.368 -4.400 14.343 1.00 10.00 H new ATOM 0 HD3 LYS D 21 11.501 -5.298 15.842 1.00 10.00 H new ATOM 0 HE2 LYS D 21 13.689 -4.996 13.733 1.00 10.00 H new ATOM 0 HE3 LYS D 21 13.644 -4.191 15.289 1.00 10.00 H new ATOM 0 HZ1 LYS D 21 15.075 -6.052 15.440 1.00 10.00 H new ATOM 0 HZ2 LYS D 21 13.679 -6.417 16.335 1.00 10.00 H new ATOM 0 HZ3 LYS D 21 13.905 -7.101 14.798 1.00 10.00 H new ATOM 1563 N ASN D 22 9.179 -9.203 15.394 1.00 10.00 N ATOM 1564 CA ASN D 22 9.410 -10.308 16.330 1.00 10.00 C ATOM 1565 C ASN D 22 9.101 -11.695 15.738 1.00 10.00 C ATOM 1566 O ASN D 22 9.777 -12.666 16.065 1.00 10.00 O ATOM 1567 CB ASN D 22 8.623 -10.072 17.627 1.00 10.00 C ATOM 1568 CG ASN D 22 9.302 -9.044 18.527 1.00 10.00 C ATOM 1569 OD1 ASN D 22 10.054 -9.395 19.427 1.00 10.00 O ATOM 1570 ND2 ASN D 22 9.053 -7.761 18.319 1.00 10.00 N ATOM 0 H ASN D 22 8.580 -8.471 15.777 1.00 10.00 H new ATOM 0 HA ASN D 22 10.478 -10.316 16.548 1.00 10.00 H new ATOM 0 HB2 ASN D 22 7.616 -9.732 17.384 1.00 10.00 H new ATOM 0 HB3 ASN D 22 8.520 -11.014 18.166 1.00 10.00 H new ATOM 0 HD21 ASN D 22 9.489 -7.054 18.911 1.00 10.00 H new ATOM 0 HD22 ASN D 22 8.425 -7.479 17.566 1.00 10.00 H new