USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 15 THR OG1 : rot -72:sc= 1.88 USER MOD Set 1.2: D 17 HIS : no HE2:sc= 0.107 K(o=2,f=-5.5!) USER MOD Set 2.1: A 15 THR OG1 : rot -72:sc= 1.08 USER MOD Set 2.2: B 17 HIS : no HE2:sc= -0.548 K(o=0.54,f=-2.7) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 14 LYS NZ :NH3+ 175:sc=-0.00119 (180deg=-0.0408) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 TYR OH : rot 120:sc= 0 USER MOD Single : B 15 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : B 19 LYS NZ :NH3+ -176:sc=-7.09e-06 (180deg=-0.0429) USER MOD Single : B 21 LYS NZ :NH3+ -120:sc= 0.498 (180deg=-0.12) USER MOD Single : B 22 ASN : amide:sc= -0.0354 X(o=-0.035,f=-0.013) USER MOD Single : C 10 THR OG1 : rot 180:sc= 0.02 USER MOD Single : C 14 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000651) USER MOD Single : C 18 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0725) USER MOD Single : C 19 CYS SG : rot 180:sc= 0 USER MOD Single : D 11 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0273) USER MOD Single : D 12 TYR OH : rot 180:sc= 0 USER MOD Single : D 15 GLN : amide:sc= 0.64 K(o=0.64,f=-0.00099) USER MOD Single : D 19 LYS NZ :NH3+ -143:sc= -0.127 (180deg=-1.04) USER MOD Single : D 21 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0472) USER MOD Single : D 22 ASN : amide:sc= 1.99 K(o=2,f=-8!) USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 6 -4.250 6.920 6.414 1.00 10.00 N ATOM 88 CA PRO A 6 -5.529 6.856 5.728 1.00 10.00 C ATOM 89 C PRO A 6 -6.382 5.705 6.290 1.00 10.00 C ATOM 90 O PRO A 6 -5.842 4.631 6.556 1.00 10.00 O ATOM 91 CB PRO A 6 -5.159 6.615 4.262 1.00 10.00 C ATOM 92 CG PRO A 6 -3.898 5.757 4.363 1.00 10.00 C ATOM 93 CD PRO A 6 -3.204 6.307 5.609 1.00 10.00 C ATOM 0 HA PRO A 6 -6.125 7.760 5.854 1.00 10.00 H new ATOM 0 HB2 PRO A 6 -5.955 6.101 3.724 1.00 10.00 H new ATOM 0 HB3 PRO A 6 -4.970 7.550 3.734 1.00 10.00 H new ATOM 0 HG2 PRO A 6 -4.138 4.699 4.469 1.00 10.00 H new ATOM 0 HG3 PRO A 6 -3.272 5.855 3.476 1.00 10.00 H new ATOM 0 HD2 PRO A 6 -2.704 5.511 6.160 1.00 10.00 H new ATOM 0 HD3 PRO A 6 -2.441 7.037 5.340 1.00 10.00 H new ATOM 101 N PRO A 7 -7.713 5.867 6.415 1.00 10.00 N ATOM 102 CA PRO A 7 -8.636 4.767 6.689 1.00 10.00 C ATOM 103 C PRO A 7 -8.380 3.537 5.807 1.00 10.00 C ATOM 104 O PRO A 7 -8.517 2.405 6.263 1.00 10.00 O ATOM 105 CB PRO A 7 -10.036 5.344 6.464 1.00 10.00 C ATOM 106 CG PRO A 7 -9.850 6.821 6.805 1.00 10.00 C ATOM 107 CD PRO A 7 -8.449 7.112 6.272 1.00 10.00 C ATOM 0 HA PRO A 7 -8.506 4.400 7.707 1.00 10.00 H new ATOM 0 HB2 PRO A 7 -10.371 5.205 5.436 1.00 10.00 H new ATOM 0 HB3 PRO A 7 -10.777 4.870 7.107 1.00 10.00 H new ATOM 0 HG2 PRO A 7 -10.604 7.446 6.326 1.00 10.00 H new ATOM 0 HG3 PRO A 7 -9.921 7.002 7.878 1.00 10.00 H new ATOM 0 HD2 PRO A 7 -8.484 7.430 5.230 1.00 10.00 H new ATOM 0 HD3 PRO A 7 -7.974 7.916 6.835 1.00 10.00 H new ATOM 115 N GLY A 8 -7.959 3.763 4.556 1.00 10.00 N ATOM 116 CA GLY A 8 -7.460 2.736 3.643 1.00 10.00 C ATOM 117 C GLY A 8 -6.504 1.726 4.296 1.00 10.00 C ATOM 118 O GLY A 8 -6.587 0.537 4.006 1.00 10.00 O ATOM 0 H GLY A 8 -7.958 4.695 4.142 1.00 10.00 H new ATOM 0 HA2 GLY A 8 -8.308 2.197 3.222 1.00 10.00 H new ATOM 0 HA3 GLY A 8 -6.947 3.221 2.813 1.00 10.00 H new ATOM 122 N PHE A 9 -5.610 2.171 5.187 1.00 10.00 N ATOM 123 CA PHE A 9 -4.741 1.272 5.949 1.00 10.00 C ATOM 124 C PHE A 9 -5.560 0.333 6.849 1.00 10.00 C ATOM 125 O PHE A 9 -5.430 -0.887 6.773 1.00 10.00 O ATOM 126 CB PHE A 9 -3.732 2.093 6.764 1.00 10.00 C ATOM 127 CG PHE A 9 -2.948 1.287 7.781 1.00 10.00 C ATOM 128 CD1 PHE A 9 -2.199 0.169 7.368 1.00 10.00 C ATOM 129 CD2 PHE A 9 -3.041 1.593 9.153 1.00 10.00 C ATOM 130 CE1 PHE A 9 -1.537 -0.629 8.317 1.00 10.00 C ATOM 131 CE2 PHE A 9 -2.377 0.797 10.102 1.00 10.00 C ATOM 132 CZ PHE A 9 -1.636 -0.323 9.686 1.00 10.00 C ATOM 0 H PHE A 9 -5.470 3.159 5.398 1.00 10.00 H new ATOM 0 HA PHE A 9 -4.191 0.641 5.250 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -3.032 2.570 6.078 1.00 10.00 H new ATOM 0 HB3 PHE A 9 -4.265 2.890 7.282 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -2.133 -0.076 6.318 1.00 10.00 H new ATOM 0 HD2 PHE A 9 -3.625 2.442 9.477 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -0.952 -1.478 7.995 1.00 10.00 H new ATOM 0 HE2 PHE A 9 -2.436 1.046 11.151 1.00 10.00 H new ATOM 0 HZ PHE A 9 -1.144 -0.947 10.417 1.00 10.00 H new ATOM 142 N THR A 10 -6.433 0.894 7.687 1.00 10.00 N ATOM 143 CA THR A 10 -7.328 0.123 8.547 1.00 10.00 C ATOM 144 C THR A 10 -8.182 -0.856 7.731 1.00 10.00 C ATOM 145 O THR A 10 -8.299 -2.031 8.072 1.00 10.00 O ATOM 146 CB THR A 10 -8.208 1.088 9.354 1.00 10.00 C ATOM 147 OG1 THR A 10 -7.405 2.111 9.906 1.00 10.00 O ATOM 148 CG2 THR A 10 -8.925 0.373 10.500 1.00 10.00 C ATOM 0 H THR A 10 -6.539 1.904 7.788 1.00 10.00 H new ATOM 0 HA THR A 10 -6.730 -0.476 9.234 1.00 10.00 H new ATOM 0 HB THR A 10 -8.953 1.500 8.673 1.00 10.00 H new ATOM 0 HG1 THR A 10 -7.968 2.727 10.419 1.00 10.00 H new ATOM 0 HG21 THR A 10 -9.538 1.088 11.048 1.00 10.00 H new ATOM 0 HG22 THR A 10 -9.561 -0.415 10.096 1.00 10.00 H new ATOM 0 HG23 THR A 10 -8.188 -0.065 11.174 1.00 10.00 H new ATOM 156 N ALA A 11 -8.768 -0.380 6.631 1.00 10.00 N ATOM 157 CA ALA A 11 -9.567 -1.189 5.720 1.00 10.00 C ATOM 158 C ALA A 11 -8.742 -2.299 5.039 1.00 10.00 C ATOM 159 O ALA A 11 -9.201 -3.438 4.939 1.00 10.00 O ATOM 160 CB ALA A 11 -10.253 -0.257 4.723 1.00 10.00 C ATOM 0 H ALA A 11 -8.697 0.597 6.347 1.00 10.00 H new ATOM 0 HA ALA A 11 -10.330 -1.725 6.284 1.00 10.00 H new ATOM 0 HB1 ALA A 11 -10.857 -0.845 4.032 1.00 10.00 H new ATOM 0 HB2 ALA A 11 -10.894 0.442 5.260 1.00 10.00 H new ATOM 0 HB3 ALA A 11 -9.499 0.298 4.165 1.00 10.00 H new ATOM 166 N LEU A 12 -7.508 -2.005 4.614 1.00 10.00 N ATOM 167 CA LEU A 12 -6.542 -3.008 4.164 1.00 10.00 C ATOM 168 C LEU A 12 -6.331 -4.076 5.243 1.00 10.00 C ATOM 169 O LEU A 12 -6.536 -5.259 4.984 1.00 10.00 O ATOM 170 CB LEU A 12 -5.230 -2.324 3.740 1.00 10.00 C ATOM 171 CG LEU A 12 -4.159 -3.287 3.196 1.00 10.00 C ATOM 172 CD1 LEU A 12 -3.212 -2.516 2.271 1.00 10.00 C ATOM 173 CD2 LEU A 12 -3.301 -3.936 4.294 1.00 10.00 C ATOM 0 H LEU A 12 -7.150 -1.051 4.573 1.00 10.00 H new ATOM 0 HA LEU A 12 -6.935 -3.524 3.288 1.00 10.00 H new ATOM 0 HB2 LEU A 12 -5.453 -1.579 2.976 1.00 10.00 H new ATOM 0 HB3 LEU A 12 -4.819 -1.790 4.597 1.00 10.00 H new ATOM 0 HG LEU A 12 -4.698 -4.079 2.676 1.00 10.00 H new ATOM 0 HD11 LEU A 12 -2.451 -3.193 1.883 1.00 10.00 H new ATOM 0 HD12 LEU A 12 -3.778 -2.093 1.441 1.00 10.00 H new ATOM 0 HD13 LEU A 12 -2.732 -1.713 2.830 1.00 10.00 H new ATOM 0 HD21 LEU A 12 -2.568 -4.602 3.837 1.00 10.00 H new ATOM 0 HD22 LEU A 12 -2.784 -3.160 4.858 1.00 10.00 H new ATOM 0 HD23 LEU A 12 -3.941 -4.508 4.966 1.00 10.00 H new ATOM 185 N ILE A 13 -5.953 -3.671 6.459 1.00 10.00 N ATOM 186 CA ILE A 13 -5.773 -4.582 7.593 1.00 10.00 C ATOM 187 C ILE A 13 -7.017 -5.462 7.812 1.00 10.00 C ATOM 188 O ILE A 13 -6.904 -6.684 7.903 1.00 10.00 O ATOM 189 CB ILE A 13 -5.386 -3.778 8.851 1.00 10.00 C ATOM 190 CG1 ILE A 13 -3.970 -3.177 8.745 1.00 10.00 C ATOM 191 CG2 ILE A 13 -5.532 -4.596 10.142 1.00 10.00 C ATOM 192 CD1 ILE A 13 -2.827 -4.191 8.884 1.00 10.00 C ATOM 0 H ILE A 13 -5.762 -2.695 6.686 1.00 10.00 H new ATOM 0 HA ILE A 13 -4.956 -5.268 7.372 1.00 10.00 H new ATOM 0 HB ILE A 13 -6.097 -2.953 8.905 1.00 10.00 H new ATOM 0 HG12 ILE A 13 -3.875 -2.674 7.783 1.00 10.00 H new ATOM 0 HG13 ILE A 13 -3.856 -2.415 9.516 1.00 10.00 H new ATOM 0 HG21 ILE A 13 -5.247 -3.982 10.996 1.00 10.00 H new ATOM 0 HG22 ILE A 13 -6.568 -4.916 10.255 1.00 10.00 H new ATOM 0 HG23 ILE A 13 -4.885 -5.472 10.093 1.00 10.00 H new ATOM 0 HD11 ILE A 13 -1.871 -3.676 8.796 1.00 10.00 H new ATOM 0 HD12 ILE A 13 -2.889 -4.678 9.857 1.00 10.00 H new ATOM 0 HD13 ILE A 13 -2.909 -4.941 8.097 1.00 10.00 H new ATOM 204 N LYS A 14 -8.208 -4.858 7.875 1.00 10.00 N ATOM 205 CA LYS A 14 -9.465 -5.591 8.016 1.00 10.00 C ATOM 206 C LYS A 14 -9.676 -6.599 6.876 1.00 10.00 C ATOM 207 O LYS A 14 -9.867 -7.786 7.130 1.00 10.00 O ATOM 208 CB LYS A 14 -10.637 -4.607 8.118 1.00 10.00 C ATOM 209 CG LYS A 14 -10.635 -3.877 9.469 1.00 10.00 C ATOM 210 CD LYS A 14 -11.636 -2.713 9.497 1.00 10.00 C ATOM 211 CE LYS A 14 -13.090 -3.139 9.256 1.00 10.00 C ATOM 212 NZ LYS A 14 -13.545 -4.120 10.257 1.00 10.00 N ATOM 0 H LYS A 14 -8.325 -3.846 7.829 1.00 10.00 H new ATOM 0 HA LYS A 14 -9.415 -6.172 8.937 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -10.576 -3.879 7.309 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -11.577 -5.144 7.993 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -10.878 -4.583 10.263 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -9.634 -3.499 9.675 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -11.570 -2.212 10.463 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -11.351 -1.983 8.739 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -13.736 -2.262 9.287 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -13.183 -3.568 8.258 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -14.555 -4.320 10.113 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -13.000 -5.000 10.154 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -13.401 -3.734 11.212 1.00 10.00 H new ATOM 226 N THR A 15 -9.645 -6.152 5.618 1.00 10.00 N ATOM 227 CA THR A 15 -9.832 -7.042 4.466 1.00 10.00 C ATOM 228 C THR A 15 -8.788 -8.164 4.404 1.00 10.00 C ATOM 229 O THR A 15 -9.144 -9.311 4.143 1.00 10.00 O ATOM 230 CB THR A 15 -9.925 -6.271 3.140 1.00 10.00 C ATOM 231 OG1 THR A 15 -8.850 -5.373 2.964 1.00 10.00 O ATOM 232 CG2 THR A 15 -11.237 -5.486 3.077 1.00 10.00 C ATOM 0 H THR A 15 -9.492 -5.175 5.369 1.00 10.00 H new ATOM 0 HA THR A 15 -10.796 -7.528 4.619 1.00 10.00 H new ATOM 0 HB THR A 15 -9.884 -7.012 2.342 1.00 10.00 H new ATOM 0 HG1 THR A 15 -8.953 -4.616 3.577 1.00 10.00 H new ATOM 0 HG21 THR A 15 -11.292 -4.944 2.133 1.00 10.00 H new ATOM 0 HG22 THR A 15 -12.078 -6.176 3.148 1.00 10.00 H new ATOM 0 HG23 THR A 15 -11.278 -4.778 3.905 1.00 10.00 H new ATOM 240 N LEU A 16 -7.520 -7.868 4.705 1.00 10.00 N ATOM 241 CA LEU A 16 -6.476 -8.876 4.890 1.00 10.00 C ATOM 242 C LEU A 16 -6.880 -9.894 5.964 1.00 10.00 C ATOM 243 O LEU A 16 -6.982 -11.086 5.682 1.00 10.00 O ATOM 244 CB LEU A 16 -5.147 -8.173 5.217 1.00 10.00 C ATOM 245 CG LEU A 16 -3.914 -9.097 5.230 1.00 10.00 C ATOM 246 CD1 LEU A 16 -2.662 -8.261 4.939 1.00 10.00 C ATOM 247 CD2 LEU A 16 -3.712 -9.800 6.580 1.00 10.00 C ATOM 0 H LEU A 16 -7.188 -6.911 4.828 1.00 10.00 H new ATOM 0 HA LEU A 16 -6.343 -9.442 3.968 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -4.982 -7.380 4.487 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -5.235 -7.695 6.192 1.00 10.00 H new ATOM 0 HG LEU A 16 -4.079 -9.862 4.471 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.784 -8.907 4.946 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -2.758 -7.790 3.961 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.553 -7.491 5.703 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -2.829 -10.437 6.530 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -3.577 -9.053 7.362 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -4.587 -10.409 6.807 1.00 10.00 H new ATOM 259 N ARG A 17 -7.129 -9.427 7.192 1.00 10.00 N ATOM 260 CA ARG A 17 -7.553 -10.265 8.311 1.00 10.00 C ATOM 261 C ARG A 17 -8.758 -11.148 7.950 1.00 10.00 C ATOM 262 O ARG A 17 -8.799 -12.325 8.300 1.00 10.00 O ATOM 263 CB ARG A 17 -7.817 -9.365 9.528 1.00 10.00 C ATOM 264 CG ARG A 17 -8.378 -10.131 10.736 1.00 10.00 C ATOM 265 CD ARG A 17 -9.908 -10.036 10.796 1.00 10.00 C ATOM 266 NE ARG A 17 -10.456 -10.945 11.811 1.00 10.00 N ATOM 267 CZ ARG A 17 -10.684 -12.252 11.638 1.00 10.00 C ATOM 268 NH1 ARG A 17 -10.360 -12.880 10.512 1.00 10.00 N ATOM 269 NH2 ARG A 17 -11.240 -12.958 12.616 1.00 10.00 N ATOM 0 H ARG A 17 -7.039 -8.441 7.437 1.00 10.00 H new ATOM 0 HA ARG A 17 -6.756 -10.965 8.561 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -6.888 -8.874 9.817 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -8.518 -8.580 9.246 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -8.079 -11.177 10.676 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -7.950 -9.729 11.655 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -10.203 -9.012 11.024 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -10.329 -10.279 9.820 1.00 10.00 H new ATOM 0 HE ARG A 17 -10.681 -10.547 12.723 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -9.924 -12.364 9.748 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -10.547 -13.878 10.412 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -11.491 -12.503 13.494 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -11.416 -13.955 12.489 1.00 10.00 H new ATOM 283 N LYS A 18 -9.751 -10.588 7.257 1.00 10.00 N ATOM 284 CA LYS A 18 -10.912 -11.341 6.791 1.00 10.00 C ATOM 285 C LYS A 18 -10.511 -12.396 5.748 1.00 10.00 C ATOM 286 O LYS A 18 -10.799 -13.576 5.931 1.00 10.00 O ATOM 287 CB LYS A 18 -11.977 -10.372 6.267 1.00 10.00 C ATOM 288 CG LYS A 18 -12.596 -9.559 7.411 1.00 10.00 C ATOM 289 CD LYS A 18 -13.537 -8.487 6.849 1.00 10.00 C ATOM 290 CE LYS A 18 -14.142 -7.675 7.997 1.00 10.00 C ATOM 291 NZ LYS A 18 -15.048 -6.632 7.488 1.00 10.00 N ATOM 0 H LYS A 18 -9.771 -9.600 7.004 1.00 10.00 H new ATOM 0 HA LYS A 18 -11.342 -11.891 7.628 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -11.531 -9.697 5.537 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -12.757 -10.930 5.750 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -13.145 -10.220 8.081 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -11.809 -9.089 8.001 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -12.991 -7.828 6.174 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -14.330 -8.955 6.265 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -14.687 -8.339 8.668 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -13.345 -7.215 8.581 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -15.444 -6.096 8.287 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -14.520 -5.987 6.866 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -15.821 -7.075 6.951 1.00 10.00 H new ATOM 305 N CYS A 19 -9.825 -12.000 4.670 1.00 10.00 N ATOM 306 CA CYS A 19 -9.337 -12.923 3.641 1.00 10.00 C ATOM 307 C CYS A 19 -8.525 -14.087 4.230 1.00 10.00 C ATOM 308 O CYS A 19 -8.703 -15.237 3.834 1.00 10.00 O ATOM 309 CB CYS A 19 -8.514 -12.164 2.594 1.00 10.00 C ATOM 310 SG CYS A 19 -7.763 -13.242 1.354 1.00 10.00 S ATOM 0 H CYS A 19 -9.592 -11.024 4.487 1.00 10.00 H new ATOM 0 HA CYS A 19 -10.212 -13.362 3.161 1.00 10.00 H new ATOM 0 HB2 CYS A 19 -9.156 -11.439 2.094 1.00 10.00 H new ATOM 0 HB3 CYS A 19 -7.729 -11.600 3.098 1.00 10.00 H new ATOM 0 HG CYS A 19 -7.088 -12.524 0.507 1.00 10.00 H new ATOM 315 N LYS A 20 -7.641 -13.798 5.187 1.00 10.00 N ATOM 316 CA LYS A 20 -6.836 -14.811 5.869 1.00 10.00 C ATOM 317 C LYS A 20 -7.627 -15.664 6.879 1.00 10.00 C ATOM 318 O LYS A 20 -7.053 -16.585 7.458 1.00 10.00 O ATOM 319 CB LYS A 20 -5.627 -14.137 6.535 1.00 10.00 C ATOM 320 CG LYS A 20 -4.661 -13.444 5.557 1.00 10.00 C ATOM 321 CD LYS A 20 -4.009 -14.406 4.550 1.00 10.00 C ATOM 322 CE LYS A 20 -4.687 -14.327 3.176 1.00 10.00 C ATOM 323 NZ LYS A 20 -4.090 -15.289 2.233 1.00 10.00 N ATOM 0 H LYS A 20 -7.463 -12.848 5.512 1.00 10.00 H new ATOM 0 HA LYS A 20 -6.498 -15.516 5.109 1.00 10.00 H new ATOM 0 HB2 LYS A 20 -5.988 -13.400 7.252 1.00 10.00 H new ATOM 0 HB3 LYS A 20 -5.075 -14.888 7.100 1.00 10.00 H new ATOM 0 HG2 LYS A 20 -5.202 -12.672 5.011 1.00 10.00 H new ATOM 0 HG3 LYS A 20 -3.879 -12.942 6.126 1.00 10.00 H new ATOM 0 HD2 LYS A 20 -2.951 -14.166 4.449 1.00 10.00 H new ATOM 0 HD3 LYS A 20 -4.070 -15.426 4.929 1.00 10.00 H new ATOM 0 HE2 LYS A 20 -5.753 -14.530 3.281 1.00 10.00 H new ATOM 0 HE3 LYS A 20 -4.592 -13.317 2.778 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 -4.567 -15.214 1.312 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 -3.078 -15.079 2.117 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 -4.203 -16.254 2.604 1.00 10.00 H new ATOM 337 N ILE A 21 -8.924 -15.394 7.097 1.00 10.00 N ATOM 338 CA ILE A 21 -9.834 -16.155 7.963 1.00 10.00 C ATOM 339 C ILE A 21 -9.527 -15.976 9.460 1.00 10.00 C ATOM 340 O ILE A 21 -10.401 -15.584 10.232 1.00 10.00 O ATOM 341 CB ILE A 21 -9.917 -17.644 7.557 1.00 10.00 C ATOM 342 CG1 ILE A 21 -10.111 -17.864 6.042 1.00 10.00 C ATOM 343 CG2 ILE A 21 -11.034 -18.349 8.341 1.00 10.00 C ATOM 344 CD1 ILE A 21 -11.363 -17.204 5.454 1.00 10.00 C ATOM 0 H ILE A 21 -9.387 -14.601 6.652 1.00 10.00 H new ATOM 0 HA ILE A 21 -10.825 -15.729 7.807 1.00 10.00 H new ATOM 0 HB ILE A 21 -8.951 -18.081 7.809 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -9.235 -17.481 5.518 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -10.156 -18.935 5.847 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -11.081 -19.397 8.045 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -10.827 -18.283 9.409 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -11.988 -17.868 8.126 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -11.416 -17.412 4.385 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -12.250 -17.603 5.946 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -11.315 -16.127 5.612 1.00 10.00 H new ATOM 356 N ILE A 22 -8.292 -16.256 9.883 1.00 10.00 N ATOM 357 CA ILE A 22 -7.819 -16.078 11.254 1.00 10.00 C ATOM 358 C ILE A 22 -7.766 -14.588 11.627 1.00 10.00 C ATOM 359 O ILE A 22 -7.171 -13.816 10.840 1.00 10.00 O ATOM 360 CB ILE A 22 -6.444 -16.762 11.415 1.00 10.00 C ATOM 361 CG1 ILE A 22 -6.558 -18.268 11.103 1.00 10.00 C ATOM 362 CG2 ILE A 22 -5.895 -16.549 12.835 1.00 10.00 C ATOM 363 CD1 ILE A 22 -5.208 -18.993 11.113 1.00 10.00 C ATOM 364 OXT ILE A 22 -8.301 -14.253 12.707 1.00 10.00 O ATOM 0 H ILE A 22 -7.573 -16.624 9.260 1.00 10.00 H new ATOM 0 HA ILE A 22 -8.520 -16.550 11.943 1.00 10.00 H new ATOM 0 HB ILE A 22 -5.748 -16.310 10.708 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -7.218 -18.734 11.834 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -7.024 -18.395 10.126 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -4.926 -17.039 12.928 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -5.782 -15.482 13.025 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -6.588 -16.975 13.561 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -5.360 -20.048 10.886 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -4.552 -18.551 10.363 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -4.750 -18.896 12.097 1.00 10.00 H new ATOM 465 N ILE B 7 3.081 9.040 -4.269 1.00 10.00 N ATOM 466 CA ILE B 7 2.004 8.643 -5.177 1.00 10.00 C ATOM 467 C ILE B 7 2.069 7.141 -5.486 1.00 10.00 C ATOM 468 O ILE B 7 1.041 6.466 -5.468 1.00 10.00 O ATOM 469 CB ILE B 7 1.930 9.537 -6.432 1.00 10.00 C ATOM 470 CG1 ILE B 7 3.148 9.398 -7.364 1.00 10.00 C ATOM 471 CG2 ILE B 7 1.720 10.998 -6.009 1.00 10.00 C ATOM 472 CD1 ILE B 7 2.996 10.194 -8.663 1.00 10.00 C ATOM 0 HA ILE B 7 1.056 8.809 -4.665 1.00 10.00 H new ATOM 0 HB ILE B 7 1.078 9.195 -7.019 1.00 10.00 H new ATOM 0 HG12 ILE B 7 4.042 9.736 -6.839 1.00 10.00 H new ATOM 0 HG13 ILE B 7 3.298 8.345 -7.604 1.00 10.00 H new ATOM 0 HG21 ILE B 7 1.668 11.630 -6.896 1.00 10.00 H new ATOM 0 HG22 ILE B 7 0.790 11.084 -5.447 1.00 10.00 H new ATOM 0 HG23 ILE B 7 2.553 11.319 -5.384 1.00 10.00 H new ATOM 0 HD11 ILE B 7 3.885 10.058 -9.279 1.00 10.00 H new ATOM 0 HD12 ILE B 7 2.120 9.840 -9.206 1.00 10.00 H new ATOM 0 HD13 ILE B 7 2.875 11.252 -8.429 1.00 10.00 H new ATOM 484 N GLU B 8 3.275 6.596 -5.692 1.00 10.00 N ATOM 485 CA GLU B 8 3.493 5.158 -5.808 1.00 10.00 C ATOM 486 C GLU B 8 2.932 4.410 -4.587 1.00 10.00 C ATOM 487 O GLU B 8 2.114 3.512 -4.748 1.00 10.00 O ATOM 488 CB GLU B 8 4.986 4.893 -6.054 1.00 10.00 C ATOM 489 CG GLU B 8 5.307 3.426 -6.399 1.00 10.00 C ATOM 490 CD GLU B 8 5.234 2.462 -5.214 1.00 10.00 C ATOM 491 OE1 GLU B 8 5.730 2.845 -4.133 1.00 10.00 O ATOM 492 OE2 GLU B 8 4.696 1.354 -5.419 1.00 10.00 O ATOM 0 H GLU B 8 4.128 7.148 -5.783 1.00 10.00 H new ATOM 0 HA GLU B 8 2.944 4.766 -6.664 1.00 10.00 H new ATOM 0 HB2 GLU B 8 5.330 5.532 -6.868 1.00 10.00 H new ATOM 0 HB3 GLU B 8 5.548 5.179 -5.165 1.00 10.00 H new ATOM 0 HG2 GLU B 8 4.614 3.088 -7.169 1.00 10.00 H new ATOM 0 HG3 GLU B 8 6.308 3.378 -6.828 1.00 10.00 H new ATOM 499 N ALA B 9 3.332 4.788 -3.369 1.00 10.00 N ATOM 500 CA ALA B 9 2.824 4.188 -2.135 1.00 10.00 C ATOM 501 C ALA B 9 1.293 4.262 -2.029 1.00 10.00 C ATOM 502 O ALA B 9 0.651 3.291 -1.644 1.00 10.00 O ATOM 503 CB ALA B 9 3.497 4.846 -0.926 1.00 10.00 C ATOM 0 H ALA B 9 4.021 5.523 -3.212 1.00 10.00 H new ATOM 0 HA ALA B 9 3.075 3.127 -2.153 1.00 10.00 H new ATOM 0 HB1 ALA B 9 3.116 4.397 -0.009 1.00 10.00 H new ATOM 0 HB2 ALA B 9 4.575 4.696 -0.983 1.00 10.00 H new ATOM 0 HB3 ALA B 9 3.279 5.914 -0.925 1.00 10.00 H new ATOM 509 N ARG B 10 0.700 5.408 -2.380 1.00 10.00 N ATOM 510 CA ARG B 10 -0.749 5.618 -2.363 1.00 10.00 C ATOM 511 C ARG B 10 -1.469 4.691 -3.366 1.00 10.00 C ATOM 512 O ARG B 10 -2.400 3.966 -3.010 1.00 10.00 O ATOM 513 CB ARG B 10 -1.015 7.112 -2.612 1.00 10.00 C ATOM 514 CG ARG B 10 -2.323 7.641 -2.008 1.00 10.00 C ATOM 515 CD ARG B 10 -3.579 7.228 -2.777 1.00 10.00 C ATOM 516 NE ARG B 10 -4.732 7.988 -2.269 1.00 10.00 N ATOM 517 CZ ARG B 10 -5.848 8.291 -2.937 1.00 10.00 C ATOM 518 NH1 ARG B 10 -6.080 7.802 -4.152 1.00 10.00 N ATOM 519 NH2 ARG B 10 -6.748 9.097 -2.379 1.00 10.00 N ATOM 0 H ARG B 10 1.223 6.228 -2.689 1.00 10.00 H new ATOM 0 HA ARG B 10 -1.163 5.349 -1.391 1.00 10.00 H new ATOM 0 HB2 ARG B 10 -0.184 7.688 -2.205 1.00 10.00 H new ATOM 0 HB3 ARG B 10 -1.029 7.290 -3.687 1.00 10.00 H new ATOM 0 HG2 ARG B 10 -2.406 7.286 -0.981 1.00 10.00 H new ATOM 0 HG3 ARG B 10 -2.277 8.729 -1.966 1.00 10.00 H new ATOM 0 HD2 ARG B 10 -3.446 7.416 -3.842 1.00 10.00 H new ATOM 0 HD3 ARG B 10 -3.755 6.158 -2.662 1.00 10.00 H new ATOM 0 HE ARG B 10 -4.673 8.318 -1.306 1.00 10.00 H new ATOM 0 HH11 ARG B 10 -5.399 7.183 -4.591 1.00 10.00 H new ATOM 0 HH12 ARG B 10 -6.939 8.046 -4.645 1.00 10.00 H new ATOM 0 HH21 ARG B 10 -6.583 9.479 -1.448 1.00 10.00 H new ATOM 0 HH22 ARG B 10 -7.603 9.333 -2.883 1.00 10.00 H new ATOM 533 N LYS B 11 -1.015 4.675 -4.623 1.00 10.00 N ATOM 534 CA LYS B 11 -1.522 3.761 -5.648 1.00 10.00 C ATOM 535 C LYS B 11 -1.361 2.292 -5.220 1.00 10.00 C ATOM 536 O LYS B 11 -2.310 1.512 -5.270 1.00 10.00 O ATOM 537 CB LYS B 11 -0.801 4.040 -6.973 1.00 10.00 C ATOM 538 CG LYS B 11 -1.202 5.402 -7.555 1.00 10.00 C ATOM 539 CD LYS B 11 -0.303 5.736 -8.751 1.00 10.00 C ATOM 540 CE LYS B 11 -0.685 7.098 -9.334 1.00 10.00 C ATOM 541 NZ LYS B 11 0.191 7.453 -10.464 1.00 10.00 N ATOM 0 H LYS B 11 -0.282 5.299 -4.959 1.00 10.00 H new ATOM 0 HA LYS B 11 -2.590 3.933 -5.781 1.00 10.00 H new ATOM 0 HB2 LYS B 11 0.277 4.014 -6.814 1.00 10.00 H new ATOM 0 HB3 LYS B 11 -1.037 3.253 -7.690 1.00 10.00 H new ATOM 0 HG2 LYS B 11 -2.246 5.382 -7.867 1.00 10.00 H new ATOM 0 HG3 LYS B 11 -1.112 6.175 -6.792 1.00 10.00 H new ATOM 0 HD2 LYS B 11 0.741 5.746 -8.439 1.00 10.00 H new ATOM 0 HD3 LYS B 11 -0.400 4.965 -9.515 1.00 10.00 H new ATOM 0 HE2 LYS B 11 -1.723 7.077 -9.666 1.00 10.00 H new ATOM 0 HE3 LYS B 11 -0.614 7.862 -8.560 1.00 10.00 H new ATOM 0 HZ1 LYS B 11 -0.088 8.381 -10.842 1.00 10.00 H new ATOM 0 HZ2 LYS B 11 1.178 7.495 -10.138 1.00 10.00 H new ATOM 0 HZ3 LYS B 11 0.103 6.734 -11.211 1.00 10.00 H new ATOM 555 N TYR B 12 -0.168 1.921 -4.753 1.00 10.00 N ATOM 556 CA TYR B 12 0.133 0.600 -4.218 1.00 10.00 C ATOM 557 C TYR B 12 -0.812 0.213 -3.071 1.00 10.00 C ATOM 558 O TYR B 12 -1.382 -0.874 -3.092 1.00 10.00 O ATOM 559 CB TYR B 12 1.602 0.562 -3.791 1.00 10.00 C ATOM 560 CG TYR B 12 2.038 -0.761 -3.201 1.00 10.00 C ATOM 561 CD1 TYR B 12 2.386 -1.831 -4.045 1.00 10.00 C ATOM 562 CD2 TYR B 12 2.058 -0.933 -1.804 1.00 10.00 C ATOM 563 CE1 TYR B 12 2.767 -3.066 -3.493 1.00 10.00 C ATOM 564 CE2 TYR B 12 2.439 -2.168 -1.256 1.00 10.00 C ATOM 565 CZ TYR B 12 2.799 -3.230 -2.100 1.00 10.00 C ATOM 566 OH TYR B 12 3.177 -4.423 -1.566 1.00 10.00 O ATOM 0 H TYR B 12 0.634 2.551 -4.738 1.00 10.00 H new ATOM 0 HA TYR B 12 -0.030 -0.145 -4.997 1.00 10.00 H new ATOM 0 HB2 TYR B 12 2.227 0.786 -4.656 1.00 10.00 H new ATOM 0 HB3 TYR B 12 1.777 1.350 -3.059 1.00 10.00 H new ATOM 0 HD1 TYR B 12 2.360 -1.704 -5.117 1.00 10.00 H new ATOM 0 HD2 TYR B 12 1.781 -0.116 -1.155 1.00 10.00 H new ATOM 0 HE1 TYR B 12 3.035 -3.888 -4.140 1.00 10.00 H new ATOM 0 HE2 TYR B 12 2.455 -2.301 -0.184 1.00 10.00 H new ATOM 0 HH TYR B 12 3.968 -4.293 -1.002 1.00 10.00 H new ATOM 576 N LEU B 13 -1.008 1.098 -2.086 1.00 10.00 N ATOM 577 CA LEU B 13 -2.001 0.935 -1.023 1.00 10.00 C ATOM 578 C LEU B 13 -3.379 0.597 -1.607 1.00 10.00 C ATOM 579 O LEU B 13 -3.953 -0.436 -1.260 1.00 10.00 O ATOM 580 CB LEU B 13 -2.027 2.199 -0.142 1.00 10.00 C ATOM 581 CG LEU B 13 -3.220 2.296 0.828 1.00 10.00 C ATOM 582 CD1 LEU B 13 -3.228 1.161 1.854 1.00 10.00 C ATOM 583 CD2 LEU B 13 -3.161 3.636 1.569 1.00 10.00 C ATOM 0 H LEU B 13 -0.471 1.961 -2.006 1.00 10.00 H new ATOM 0 HA LEU B 13 -1.721 0.093 -0.390 1.00 10.00 H new ATOM 0 HB2 LEU B 13 -1.104 2.238 0.437 1.00 10.00 H new ATOM 0 HB3 LEU B 13 -2.034 3.075 -0.791 1.00 10.00 H new ATOM 0 HG LEU B 13 -4.132 2.217 0.236 1.00 10.00 H new ATOM 0 HD11 LEU B 13 -4.088 1.274 2.515 1.00 10.00 H new ATOM 0 HD12 LEU B 13 -3.291 0.204 1.337 1.00 10.00 H new ATOM 0 HD13 LEU B 13 -2.311 1.196 2.443 1.00 10.00 H new ATOM 0 HD21 LEU B 13 -4.004 3.709 2.257 1.00 10.00 H new ATOM 0 HD22 LEU B 13 -2.228 3.701 2.130 1.00 10.00 H new ATOM 0 HD23 LEU B 13 -3.209 4.453 0.849 1.00 10.00 H new ATOM 595 N GLU B 14 -3.901 1.437 -2.511 1.00 10.00 N ATOM 596 CA GLU B 14 -5.167 1.171 -3.193 1.00 10.00 C ATOM 597 C GLU B 14 -5.193 -0.223 -3.848 1.00 10.00 C ATOM 598 O GLU B 14 -6.050 -1.048 -3.541 1.00 10.00 O ATOM 599 CB GLU B 14 -5.433 2.261 -4.241 1.00 10.00 C ATOM 600 CG GLU B 14 -5.777 3.623 -3.630 1.00 10.00 C ATOM 601 CD GLU B 14 -5.950 4.676 -4.721 1.00 10.00 C ATOM 602 OE1 GLU B 14 -7.071 4.753 -5.271 1.00 10.00 O ATOM 603 OE2 GLU B 14 -4.957 5.385 -4.996 1.00 10.00 O ATOM 0 H GLU B 14 -3.458 2.314 -2.786 1.00 10.00 H new ATOM 0 HA GLU B 14 -5.957 1.186 -2.443 1.00 10.00 H new ATOM 0 HB2 GLU B 14 -4.553 2.368 -4.875 1.00 10.00 H new ATOM 0 HB3 GLU B 14 -6.253 1.943 -4.885 1.00 10.00 H new ATOM 0 HG2 GLU B 14 -6.694 3.544 -3.046 1.00 10.00 H new ATOM 0 HG3 GLU B 14 -4.987 3.929 -2.944 1.00 10.00 H new ATOM 610 N GLN B 15 -4.250 -0.486 -4.756 1.00 10.00 N ATOM 611 CA GLN B 15 -4.139 -1.750 -5.486 1.00 10.00 C ATOM 612 C GLN B 15 -4.113 -2.959 -4.540 1.00 10.00 C ATOM 613 O GLN B 15 -4.909 -3.887 -4.679 1.00 10.00 O ATOM 614 CB GLN B 15 -2.877 -1.711 -6.360 1.00 10.00 C ATOM 615 CG GLN B 15 -3.014 -0.719 -7.524 1.00 10.00 C ATOM 616 CD GLN B 15 -1.674 -0.451 -8.200 1.00 10.00 C ATOM 617 OE1 GLN B 15 -1.163 0.660 -8.184 1.00 10.00 O ATOM 618 NE2 GLN B 15 -1.083 -1.466 -8.812 1.00 10.00 N ATOM 0 H GLN B 15 -3.528 0.188 -5.009 1.00 10.00 H new ATOM 0 HA GLN B 15 -5.020 -1.867 -6.116 1.00 10.00 H new ATOM 0 HB2 GLN B 15 -2.020 -1.434 -5.747 1.00 10.00 H new ATOM 0 HB3 GLN B 15 -2.678 -2.708 -6.754 1.00 10.00 H new ATOM 0 HG2 GLN B 15 -3.718 -1.113 -8.257 1.00 10.00 H new ATOM 0 HG3 GLN B 15 -3.429 0.219 -7.155 1.00 10.00 H new ATOM 0 HE21 GLN B 15 -1.524 -2.386 -8.815 1.00 10.00 H new ATOM 0 HE22 GLN B 15 -0.187 -1.328 -9.280 1.00 10.00 H new ATOM 627 N LEU B 16 -3.199 -2.947 -3.568 1.00 10.00 N ATOM 628 CA LEU B 16 -3.045 -4.005 -2.579 1.00 10.00 C ATOM 629 C LEU B 16 -4.328 -4.196 -1.759 1.00 10.00 C ATOM 630 O LEU B 16 -4.829 -5.312 -1.647 1.00 10.00 O ATOM 631 CB LEU B 16 -1.820 -3.692 -1.706 1.00 10.00 C ATOM 632 CG LEU B 16 -1.531 -4.749 -0.630 1.00 10.00 C ATOM 633 CD1 LEU B 16 -1.352 -6.156 -1.216 1.00 10.00 C ATOM 634 CD2 LEU B 16 -0.257 -4.363 0.128 1.00 10.00 C ATOM 0 H LEU B 16 -2.533 -2.184 -3.448 1.00 10.00 H new ATOM 0 HA LEU B 16 -2.874 -4.958 -3.080 1.00 10.00 H new ATOM 0 HB2 LEU B 16 -0.945 -3.594 -2.348 1.00 10.00 H new ATOM 0 HB3 LEU B 16 -1.969 -2.727 -1.222 1.00 10.00 H new ATOM 0 HG LEU B 16 -2.393 -4.776 0.036 1.00 10.00 H new ATOM 0 HD11 LEU B 16 -1.150 -6.862 -0.411 1.00 10.00 H new ATOM 0 HD12 LEU B 16 -2.262 -6.451 -1.738 1.00 10.00 H new ATOM 0 HD13 LEU B 16 -0.516 -6.155 -1.916 1.00 10.00 H new ATOM 0 HD21 LEU B 16 -0.048 -5.111 0.893 1.00 10.00 H new ATOM 0 HD22 LEU B 16 0.580 -4.313 -0.569 1.00 10.00 H new ATOM 0 HD23 LEU B 16 -0.395 -3.390 0.600 1.00 10.00 H new ATOM 646 N HIS B 17 -4.894 -3.113 -1.216 1.00 10.00 N ATOM 647 CA HIS B 17 -6.167 -3.161 -0.502 1.00 10.00 C ATOM 648 C HIS B 17 -7.279 -3.791 -1.354 1.00 10.00 C ATOM 649 O HIS B 17 -8.003 -4.665 -0.876 1.00 10.00 O ATOM 650 CB HIS B 17 -6.553 -1.750 -0.047 1.00 10.00 C ATOM 651 CG HIS B 17 -7.830 -1.683 0.752 1.00 10.00 C ATOM 652 ND1 HIS B 17 -8.628 -2.743 1.130 1.00 10.00 N ATOM 653 CD2 HIS B 17 -8.459 -0.532 1.138 1.00 10.00 C ATOM 654 CE1 HIS B 17 -9.717 -2.232 1.724 1.00 10.00 C ATOM 655 NE2 HIS B 17 -9.664 -0.892 1.745 1.00 10.00 N ATOM 0 H HIS B 17 -4.481 -2.182 -1.261 1.00 10.00 H new ATOM 0 HA HIS B 17 -6.045 -3.799 0.374 1.00 10.00 H new ATOM 0 HB2 HIS B 17 -5.741 -1.340 0.553 1.00 10.00 H new ATOM 0 HB3 HIS B 17 -6.654 -1.113 -0.925 1.00 10.00 H new ATOM 0 HD1 HIS B 17 -8.427 -3.732 0.985 1.00 10.00 H new ATOM 0 HD2 HIS B 17 -8.091 0.474 0.999 1.00 10.00 H new ATOM 0 HE1 HIS B 17 -10.527 -2.820 2.130 1.00 10.00 H new ATOM 663 N ARG B 18 -7.426 -3.349 -2.605 1.00 10.00 N ATOM 664 CA ARG B 18 -8.409 -3.892 -3.541 1.00 10.00 C ATOM 665 C ARG B 18 -8.166 -5.383 -3.813 1.00 10.00 C ATOM 666 O ARG B 18 -9.103 -6.175 -3.759 1.00 10.00 O ATOM 667 CB ARG B 18 -8.412 -3.057 -4.828 1.00 10.00 C ATOM 668 CG ARG B 18 -9.033 -1.680 -4.559 1.00 10.00 C ATOM 669 CD ARG B 18 -8.799 -0.720 -5.726 1.00 10.00 C ATOM 670 NE ARG B 18 -9.278 0.623 -5.364 1.00 10.00 N ATOM 671 CZ ARG B 18 -8.808 1.779 -5.840 1.00 10.00 C ATOM 672 NH1 ARG B 18 -7.988 1.814 -6.887 1.00 10.00 N ATOM 673 NH2 ARG B 18 -9.145 2.916 -5.241 1.00 10.00 N ATOM 0 H ARG B 18 -6.860 -2.597 -2.999 1.00 10.00 H new ATOM 0 HA ARG B 18 -9.400 -3.825 -3.092 1.00 10.00 H new ATOM 0 HB2 ARG B 18 -7.393 -2.940 -5.197 1.00 10.00 H new ATOM 0 HB3 ARG B 18 -8.975 -3.574 -5.605 1.00 10.00 H new ATOM 0 HG2 ARG B 18 -10.104 -1.790 -4.387 1.00 10.00 H new ATOM 0 HG3 ARG B 18 -8.606 -1.259 -3.649 1.00 10.00 H new ATOM 0 HD2 ARG B 18 -7.738 -0.684 -5.973 1.00 10.00 H new ATOM 0 HD3 ARG B 18 -9.322 -1.076 -6.614 1.00 10.00 H new ATOM 0 HE ARG B 18 -10.039 0.676 -4.687 1.00 10.00 H new ATOM 0 HH11 ARG B 18 -7.706 0.946 -7.343 1.00 10.00 H new ATOM 0 HH12 ARG B 18 -7.641 2.708 -7.234 1.00 10.00 H new ATOM 0 HH21 ARG B 18 -9.757 2.901 -4.425 1.00 10.00 H new ATOM 0 HH22 ARG B 18 -8.791 3.804 -5.597 1.00 10.00 H new ATOM 687 N LYS B 19 -6.917 -5.788 -4.060 1.00 10.00 N ATOM 688 CA LYS B 19 -6.550 -7.198 -4.194 1.00 10.00 C ATOM 689 C LYS B 19 -6.948 -8.009 -2.947 1.00 10.00 C ATOM 690 O LYS B 19 -7.573 -9.064 -3.055 1.00 10.00 O ATOM 691 CB LYS B 19 -5.047 -7.297 -4.491 1.00 10.00 C ATOM 692 CG LYS B 19 -4.620 -8.735 -4.822 1.00 10.00 C ATOM 693 CD LYS B 19 -3.097 -8.856 -4.989 1.00 10.00 C ATOM 694 CE LYS B 19 -2.518 -7.980 -6.108 1.00 10.00 C ATOM 695 NZ LYS B 19 -3.147 -8.265 -7.409 1.00 10.00 N ATOM 0 H LYS B 19 -6.132 -5.146 -4.173 1.00 10.00 H new ATOM 0 HA LYS B 19 -7.102 -7.636 -5.026 1.00 10.00 H new ATOM 0 HB2 LYS B 19 -4.799 -6.643 -5.327 1.00 10.00 H new ATOM 0 HB3 LYS B 19 -4.483 -6.940 -3.629 1.00 10.00 H new ATOM 0 HG2 LYS B 19 -4.953 -9.404 -4.029 1.00 10.00 H new ATOM 0 HG3 LYS B 19 -5.113 -9.058 -5.739 1.00 10.00 H new ATOM 0 HD2 LYS B 19 -2.617 -8.589 -4.048 1.00 10.00 H new ATOM 0 HD3 LYS B 19 -2.846 -9.897 -5.191 1.00 10.00 H new ATOM 0 HE2 LYS B 19 -2.662 -6.929 -5.858 1.00 10.00 H new ATOM 0 HE3 LYS B 19 -1.443 -8.146 -6.180 1.00 10.00 H new ATOM 0 HZ1 LYS B 19 -2.682 -7.702 -8.150 1.00 10.00 H new ATOM 0 HZ2 LYS B 19 -3.047 -9.277 -7.629 1.00 10.00 H new ATOM 0 HZ3 LYS B 19 -4.156 -8.018 -7.368 1.00 10.00 H new ATOM 709 N LEU B 20 -6.609 -7.515 -1.754 1.00 10.00 N ATOM 710 CA LEU B 20 -6.973 -8.158 -0.494 1.00 10.00 C ATOM 711 C LEU B 20 -8.496 -8.254 -0.318 1.00 10.00 C ATOM 712 O LEU B 20 -9.016 -9.311 0.039 1.00 10.00 O ATOM 713 CB LEU B 20 -6.291 -7.435 0.674 1.00 10.00 C ATOM 714 CG LEU B 20 -4.766 -7.641 0.651 1.00 10.00 C ATOM 715 CD1 LEU B 20 -4.096 -6.536 1.466 1.00 10.00 C ATOM 716 CD2 LEU B 20 -4.366 -9.008 1.220 1.00 10.00 C ATOM 0 H LEU B 20 -6.073 -6.655 -1.637 1.00 10.00 H new ATOM 0 HA LEU B 20 -6.613 -9.187 -0.510 1.00 10.00 H new ATOM 0 HB2 LEU B 20 -6.516 -6.370 0.625 1.00 10.00 H new ATOM 0 HB3 LEU B 20 -6.695 -7.803 1.617 1.00 10.00 H new ATOM 0 HG LEU B 20 -4.437 -7.602 -0.387 1.00 10.00 H new ATOM 0 HD11 LEU B 20 -3.015 -6.678 1.452 1.00 10.00 H new ATOM 0 HD12 LEU B 20 -4.340 -5.566 1.033 1.00 10.00 H new ATOM 0 HD13 LEU B 20 -4.454 -6.575 2.495 1.00 10.00 H new ATOM 0 HD21 LEU B 20 -3.282 -9.113 1.186 1.00 10.00 H new ATOM 0 HD22 LEU B 20 -4.706 -9.086 2.253 1.00 10.00 H new ATOM 0 HD23 LEU B 20 -4.826 -9.798 0.626 1.00 10.00 H new ATOM 728 N LYS B 21 -9.239 -7.185 -0.622 1.00 10.00 N ATOM 729 CA LYS B 21 -10.695 -7.268 -0.680 1.00 10.00 C ATOM 730 C LYS B 21 -11.157 -8.344 -1.673 1.00 10.00 C ATOM 731 O LYS B 21 -12.014 -9.157 -1.345 1.00 10.00 O ATOM 732 CB LYS B 21 -11.316 -5.897 -0.992 1.00 10.00 C ATOM 733 CG LYS B 21 -12.838 -5.972 -1.220 1.00 10.00 C ATOM 734 CD LYS B 21 -13.622 -6.519 -0.011 1.00 10.00 C ATOM 735 CE LYS B 21 -15.014 -7.009 -0.424 1.00 10.00 C ATOM 736 NZ LYS B 21 -14.938 -8.287 -1.162 1.00 10.00 N ATOM 0 H LYS B 21 -8.857 -6.262 -0.829 1.00 10.00 H new ATOM 0 HA LYS B 21 -11.051 -7.570 0.305 1.00 10.00 H new ATOM 0 HB2 LYS B 21 -11.109 -5.213 -0.169 1.00 10.00 H new ATOM 0 HB3 LYS B 21 -10.840 -5.480 -1.880 1.00 10.00 H new ATOM 0 HG2 LYS B 21 -13.209 -4.976 -1.461 1.00 10.00 H new ATOM 0 HG3 LYS B 21 -13.036 -6.604 -2.086 1.00 10.00 H new ATOM 0 HD2 LYS B 21 -13.066 -7.339 0.445 1.00 10.00 H new ATOM 0 HD3 LYS B 21 -13.718 -5.740 0.745 1.00 10.00 H new ATOM 0 HE2 LYS B 21 -15.635 -7.135 0.463 1.00 10.00 H new ATOM 0 HE3 LYS B 21 -15.497 -6.256 -1.046 1.00 10.00 H new ATOM 0 HZ1 LYS B 21 -15.341 -8.163 -2.113 1.00 10.00 H new ATOM 0 HZ2 LYS B 21 -13.944 -8.582 -1.243 1.00 10.00 H new ATOM 0 HZ3 LYS B 21 -15.475 -9.016 -0.650 1.00 10.00 H new ATOM 750 N ASN B 22 -10.590 -8.373 -2.883 1.00 10.00 N ATOM 751 CA ASN B 22 -10.911 -9.392 -3.878 1.00 10.00 C ATOM 752 C ASN B 22 -10.649 -10.808 -3.341 1.00 10.00 C ATOM 753 O ASN B 22 -11.443 -11.708 -3.610 1.00 10.00 O ATOM 754 CB ASN B 22 -10.140 -9.122 -5.180 1.00 10.00 C ATOM 755 CG ASN B 22 -10.750 -9.776 -6.423 1.00 10.00 C ATOM 756 OD1 ASN B 22 -10.653 -9.233 -7.514 1.00 10.00 O ATOM 757 ND2 ASN B 22 -11.385 -10.937 -6.314 1.00 10.00 N ATOM 0 H ASN B 22 -9.898 -7.692 -3.196 1.00 10.00 H new ATOM 0 HA ASN B 22 -11.977 -9.335 -4.098 1.00 10.00 H new ATOM 0 HB2 ASN B 22 -10.087 -8.045 -5.340 1.00 10.00 H new ATOM 0 HB3 ASN B 22 -9.116 -9.478 -5.062 1.00 10.00 H new ATOM 0 HD21 ASN B 22 -11.792 -11.375 -7.140 1.00 10.00 H new ATOM 0 HD22 ASN B 22 -11.466 -11.390 -5.404 1.00 10.00 H new ATOM 914 N PRO C 7 5.836 6.366 5.749 1.00 10.00 N ATOM 915 CA PRO C 7 6.781 5.288 5.444 1.00 10.00 C ATOM 916 C PRO C 7 6.538 4.021 6.269 1.00 10.00 C ATOM 917 O PRO C 7 6.715 2.905 5.782 1.00 10.00 O ATOM 918 CB PRO C 7 8.175 5.865 5.718 1.00 10.00 C ATOM 919 CG PRO C 7 7.974 7.363 5.515 1.00 10.00 C ATOM 920 CD PRO C 7 6.567 7.585 6.066 1.00 10.00 C ATOM 0 HA PRO C 7 6.663 4.970 4.408 1.00 10.00 H new ATOM 0 HB2 PRO C 7 8.514 5.637 6.728 1.00 10.00 H new ATOM 0 HB3 PRO C 7 8.920 5.462 5.033 1.00 10.00 H new ATOM 0 HG2 PRO C 7 8.718 7.949 6.054 1.00 10.00 H new ATOM 0 HG3 PRO C 7 8.047 7.644 4.464 1.00 10.00 H new ATOM 0 HD2 PRO C 7 6.589 7.763 7.141 1.00 10.00 H new ATOM 0 HD3 PRO C 7 6.098 8.456 5.608 1.00 10.00 H new ATOM 928 N GLY C 8 6.099 4.203 7.521 1.00 10.00 N ATOM 929 CA GLY C 8 5.644 3.135 8.405 1.00 10.00 C ATOM 930 C GLY C 8 4.744 2.106 7.712 1.00 10.00 C ATOM 931 O GLY C 8 4.879 0.914 7.966 1.00 10.00 O ATOM 0 H GLY C 8 6.051 5.125 7.954 1.00 10.00 H new ATOM 0 HA2 GLY C 8 6.513 2.624 8.821 1.00 10.00 H new ATOM 0 HA3 GLY C 8 5.102 3.574 9.242 1.00 10.00 H new ATOM 935 N PHE C 9 3.843 2.541 6.819 1.00 10.00 N ATOM 936 CA PHE C 9 3.019 1.620 6.037 1.00 10.00 C ATOM 937 C PHE C 9 3.882 0.690 5.171 1.00 10.00 C ATOM 938 O PHE C 9 3.816 -0.532 5.293 1.00 10.00 O ATOM 939 CB PHE C 9 2.021 2.412 5.185 1.00 10.00 C ATOM 940 CG PHE C 9 1.240 1.543 4.219 1.00 10.00 C ATOM 941 CD1 PHE C 9 0.409 0.524 4.717 1.00 10.00 C ATOM 942 CD2 PHE C 9 1.465 1.645 2.833 1.00 10.00 C ATOM 943 CE1 PHE C 9 -0.201 -0.385 3.836 1.00 10.00 C ATOM 944 CE2 PHE C 9 0.842 0.747 1.950 1.00 10.00 C ATOM 945 CZ PHE C 9 0.018 -0.276 2.451 1.00 10.00 C ATOM 0 H PHE C 9 3.670 3.527 6.623 1.00 10.00 H new ATOM 0 HA PHE C 9 2.462 0.984 6.725 1.00 10.00 H new ATOM 0 HB2 PHE C 9 1.323 2.931 5.842 1.00 10.00 H new ATOM 0 HB3 PHE C 9 2.558 3.176 4.623 1.00 10.00 H new ATOM 0 HD1 PHE C 9 0.239 0.440 5.780 1.00 10.00 H new ATOM 0 HD2 PHE C 9 2.117 2.415 2.448 1.00 10.00 H new ATOM 0 HE1 PHE C 9 -0.838 -1.167 4.222 1.00 10.00 H new ATOM 0 HE2 PHE C 9 0.996 0.843 0.885 1.00 10.00 H new ATOM 0 HZ PHE C 9 -0.446 -0.977 1.773 1.00 10.00 H new ATOM 955 N THR C 10 4.727 1.268 4.313 1.00 10.00 N ATOM 956 CA THR C 10 5.665 0.524 3.478 1.00 10.00 C ATOM 957 C THR C 10 6.536 -0.418 4.319 1.00 10.00 C ATOM 958 O THR C 10 6.697 -1.590 3.985 1.00 10.00 O ATOM 959 CB THR C 10 6.527 1.515 2.682 1.00 10.00 C ATOM 960 OG1 THR C 10 5.695 2.489 2.084 1.00 10.00 O ATOM 961 CG2 THR C 10 7.316 0.817 1.573 1.00 10.00 C ATOM 0 H THR C 10 4.777 2.278 4.179 1.00 10.00 H new ATOM 0 HA THR C 10 5.103 -0.100 2.783 1.00 10.00 H new ATOM 0 HB THR C 10 7.229 1.972 3.379 1.00 10.00 H new ATOM 0 HG1 THR C 10 6.245 3.123 1.577 1.00 10.00 H new ATOM 0 HG21 THR C 10 7.913 1.552 1.033 1.00 10.00 H new ATOM 0 HG22 THR C 10 7.974 0.067 2.011 1.00 10.00 H new ATOM 0 HG23 THR C 10 6.624 0.334 0.883 1.00 10.00 H new ATOM 969 N ALA C 11 7.078 0.086 5.432 1.00 10.00 N ATOM 970 CA ALA C 11 7.876 -0.702 6.367 1.00 10.00 C ATOM 971 C ALA C 11 7.081 -1.877 6.972 1.00 10.00 C ATOM 972 O ALA C 11 7.574 -3.008 7.024 1.00 10.00 O ATOM 973 CB ALA C 11 8.442 0.230 7.439 1.00 10.00 C ATOM 0 H ALA C 11 6.972 1.062 5.709 1.00 10.00 H new ATOM 0 HA ALA C 11 8.702 -1.164 5.826 1.00 10.00 H new ATOM 0 HB1 ALA C 11 9.040 -0.347 8.144 1.00 10.00 H new ATOM 0 HB2 ALA C 11 9.067 0.989 6.968 1.00 10.00 H new ATOM 0 HB3 ALA C 11 7.622 0.714 7.970 1.00 10.00 H new ATOM 979 N LEU C 12 5.836 -1.632 7.397 1.00 10.00 N ATOM 980 CA LEU C 12 4.915 -2.684 7.819 1.00 10.00 C ATOM 981 C LEU C 12 4.755 -3.730 6.718 1.00 10.00 C ATOM 982 O LEU C 12 5.023 -4.900 6.960 1.00 10.00 O ATOM 983 CB LEU C 12 3.565 -2.105 8.269 1.00 10.00 C ATOM 984 CG LEU C 12 2.613 -3.196 8.805 1.00 10.00 C ATOM 985 CD1 LEU C 12 1.714 -2.620 9.899 1.00 10.00 C ATOM 986 CD2 LEU C 12 1.699 -3.779 7.716 1.00 10.00 C ATOM 0 H LEU C 12 5.441 -0.693 7.457 1.00 10.00 H new ATOM 0 HA LEU C 12 5.343 -3.184 8.688 1.00 10.00 H new ATOM 0 HB2 LEU C 12 3.732 -1.358 9.045 1.00 10.00 H new ATOM 0 HB3 LEU C 12 3.093 -1.593 7.430 1.00 10.00 H new ATOM 0 HG LEU C 12 3.252 -3.991 9.189 1.00 10.00 H new ATOM 0 HD11 LEU C 12 1.047 -3.399 10.269 1.00 10.00 H new ATOM 0 HD12 LEU C 12 2.330 -2.250 10.719 1.00 10.00 H new ATOM 0 HD13 LEU C 12 1.123 -1.800 9.490 1.00 10.00 H new ATOM 0 HD21 LEU C 12 1.053 -4.541 8.153 1.00 10.00 H new ATOM 0 HD22 LEU C 12 1.087 -2.984 7.291 1.00 10.00 H new ATOM 0 HD23 LEU C 12 2.308 -4.227 6.931 1.00 10.00 H new ATOM 998 N ILE C 13 4.350 -3.336 5.506 1.00 10.00 N ATOM 999 CA ILE C 13 4.183 -4.284 4.401 1.00 10.00 C ATOM 1000 C ILE C 13 5.469 -5.084 4.135 1.00 10.00 C ATOM 1001 O ILE C 13 5.421 -6.308 4.020 1.00 10.00 O ATOM 1002 CB ILE C 13 3.666 -3.575 3.137 1.00 10.00 C ATOM 1003 CG1 ILE C 13 2.273 -2.943 3.332 1.00 10.00 C ATOM 1004 CG2 ILE C 13 3.639 -4.548 1.949 1.00 10.00 C ATOM 1005 CD1 ILE C 13 1.160 -3.932 3.695 1.00 10.00 C ATOM 0 H ILE C 13 4.132 -2.369 5.266 1.00 10.00 H new ATOM 0 HA ILE C 13 3.425 -5.009 4.698 1.00 10.00 H new ATOM 0 HB ILE C 13 4.361 -2.761 2.930 1.00 10.00 H new ATOM 0 HG12 ILE C 13 2.339 -2.189 4.116 1.00 10.00 H new ATOM 0 HG13 ILE C 13 1.994 -2.425 2.415 1.00 10.00 H new ATOM 0 HG21 ILE C 13 3.271 -4.030 1.063 1.00 10.00 H new ATOM 0 HG22 ILE C 13 4.646 -4.919 1.760 1.00 10.00 H new ATOM 0 HG23 ILE C 13 2.981 -5.386 2.180 1.00 10.00 H new ATOM 0 HD11 ILE C 13 0.219 -3.394 3.811 1.00 10.00 H new ATOM 0 HD12 ILE C 13 1.059 -4.673 2.902 1.00 10.00 H new ATOM 0 HD13 ILE C 13 1.409 -4.433 4.630 1.00 10.00 H new ATOM 1017 N LYS C 14 6.626 -4.419 4.068 1.00 10.00 N ATOM 1018 CA LYS C 14 7.907 -5.095 3.880 1.00 10.00 C ATOM 1019 C LYS C 14 8.174 -6.133 4.983 1.00 10.00 C ATOM 1020 O LYS C 14 8.485 -7.286 4.688 1.00 10.00 O ATOM 1021 CB LYS C 14 9.029 -4.052 3.782 1.00 10.00 C ATOM 1022 CG LYS C 14 10.421 -4.665 3.550 1.00 10.00 C ATOM 1023 CD LYS C 14 10.482 -5.501 2.263 1.00 10.00 C ATOM 1024 CE LYS C 14 11.924 -5.925 1.972 1.00 10.00 C ATOM 1025 NZ LYS C 14 12.003 -6.705 0.723 1.00 10.00 N ATOM 0 H LYS C 14 6.698 -3.404 4.142 1.00 10.00 H new ATOM 0 HA LYS C 14 7.874 -5.654 2.945 1.00 10.00 H new ATOM 0 HB2 LYS C 14 8.804 -3.364 2.967 1.00 10.00 H new ATOM 0 HB3 LYS C 14 9.048 -3.464 4.700 1.00 10.00 H new ATOM 0 HG2 LYS C 14 11.163 -3.868 3.498 1.00 10.00 H new ATOM 0 HG3 LYS C 14 10.686 -5.292 4.401 1.00 10.00 H new ATOM 0 HD2 LYS C 14 9.850 -6.383 2.364 1.00 10.00 H new ATOM 0 HD3 LYS C 14 10.090 -4.922 1.427 1.00 10.00 H new ATOM 0 HE2 LYS C 14 12.558 -5.042 1.894 1.00 10.00 H new ATOM 0 HE3 LYS C 14 12.306 -6.520 2.801 1.00 10.00 H new ATOM 0 HZ1 LYS C 14 12.988 -6.995 0.557 1.00 10.00 H new ATOM 0 HZ2 LYS C 14 11.402 -7.550 0.803 1.00 10.00 H new ATOM 0 HZ3 LYS C 14 11.675 -6.121 -0.072 1.00 10.00 H new ATOM 1039 N THR C 15 8.044 -5.743 6.256 1.00 10.00 N ATOM 1040 CA THR C 15 8.209 -6.676 7.377 1.00 10.00 C ATOM 1041 C THR C 15 7.145 -7.783 7.407 1.00 10.00 C ATOM 1042 O THR C 15 7.461 -8.914 7.767 1.00 10.00 O ATOM 1043 CB THR C 15 8.323 -5.955 8.729 1.00 10.00 C ATOM 1044 OG1 THR C 15 7.290 -5.013 8.929 1.00 10.00 O ATOM 1045 CG2 THR C 15 9.667 -5.235 8.830 1.00 10.00 C ATOM 0 H THR C 15 7.825 -4.787 6.536 1.00 10.00 H new ATOM 0 HA THR C 15 9.161 -7.176 7.200 1.00 10.00 H new ATOM 0 HB THR C 15 8.238 -6.722 9.499 1.00 10.00 H new ATOM 0 HG1 THR C 15 7.434 -4.240 8.344 1.00 10.00 H new ATOM 0 HG21 THR C 15 9.737 -4.728 9.792 1.00 10.00 H new ATOM 0 HG22 THR C 15 10.476 -5.960 8.743 1.00 10.00 H new ATOM 0 HG23 THR C 15 9.749 -4.503 8.027 1.00 10.00 H new ATOM 1053 N LEU C 16 5.907 -7.497 6.996 1.00 10.00 N ATOM 1054 CA LEU C 16 4.852 -8.495 6.811 1.00 10.00 C ATOM 1055 C LEU C 16 5.297 -9.539 5.783 1.00 10.00 C ATOM 1056 O LEU C 16 5.368 -10.725 6.092 1.00 10.00 O ATOM 1057 CB LEU C 16 3.539 -7.794 6.413 1.00 10.00 C ATOM 1058 CG LEU C 16 2.270 -8.638 6.628 1.00 10.00 C ATOM 1059 CD1 LEU C 16 1.048 -7.714 6.562 1.00 10.00 C ATOM 1060 CD2 LEU C 16 2.100 -9.743 5.576 1.00 10.00 C ATOM 0 H LEU C 16 5.605 -6.547 6.779 1.00 10.00 H new ATOM 0 HA LEU C 16 4.667 -9.024 7.746 1.00 10.00 H new ATOM 0 HB2 LEU C 16 3.447 -6.871 6.986 1.00 10.00 H new ATOM 0 HB3 LEU C 16 3.598 -7.512 5.362 1.00 10.00 H new ATOM 0 HG LEU C 16 2.363 -9.121 7.601 1.00 10.00 H new ATOM 0 HD11 LEU C 16 0.141 -8.299 6.713 1.00 10.00 H new ATOM 0 HD12 LEU C 16 1.124 -6.955 7.340 1.00 10.00 H new ATOM 0 HD13 LEU C 16 1.010 -7.230 5.586 1.00 10.00 H new ATOM 0 HD21 LEU C 16 1.188 -10.303 5.781 1.00 10.00 H new ATOM 0 HD22 LEU C 16 2.035 -9.295 4.585 1.00 10.00 H new ATOM 0 HD23 LEU C 16 2.956 -10.417 5.614 1.00 10.00 H new ATOM 1072 N ARG C 17 5.642 -9.086 4.574 1.00 10.00 N ATOM 1073 CA ARG C 17 6.198 -9.917 3.510 1.00 10.00 C ATOM 1074 C ARG C 17 7.372 -10.757 4.037 1.00 10.00 C ATOM 1075 O ARG C 17 7.369 -11.980 3.908 1.00 10.00 O ATOM 1076 CB ARG C 17 6.582 -9.001 2.335 1.00 10.00 C ATOM 1077 CG ARG C 17 6.853 -9.715 1.001 1.00 10.00 C ATOM 1078 CD ARG C 17 8.086 -10.627 0.985 1.00 10.00 C ATOM 1079 NE ARG C 17 9.273 -9.935 1.507 1.00 10.00 N ATOM 1080 CZ ARG C 17 10.433 -10.511 1.834 1.00 10.00 C ATOM 1081 NH1 ARG C 17 10.619 -11.824 1.722 1.00 10.00 N ATOM 1082 NH2 ARG C 17 11.426 -9.755 2.296 1.00 10.00 N ATOM 0 H ARG C 17 5.539 -8.108 4.305 1.00 10.00 H new ATOM 0 HA ARG C 17 5.462 -10.636 3.152 1.00 10.00 H new ATOM 0 HB2 ARG C 17 5.781 -8.278 2.184 1.00 10.00 H new ATOM 0 HB3 ARG C 17 7.472 -8.437 2.613 1.00 10.00 H new ATOM 0 HG2 ARG C 17 5.978 -10.310 0.742 1.00 10.00 H new ATOM 0 HG3 ARG C 17 6.968 -8.962 0.221 1.00 10.00 H new ATOM 0 HD2 ARG C 17 7.890 -11.517 1.583 1.00 10.00 H new ATOM 0 HD3 ARG C 17 8.278 -10.964 -0.034 1.00 10.00 H new ATOM 0 HE ARG C 17 9.205 -8.925 1.631 1.00 10.00 H new ATOM 0 HH11 ARG C 17 9.865 -12.419 1.379 1.00 10.00 H new ATOM 0 HH12 ARG C 17 11.516 -12.236 1.979 1.00 10.00 H new ATOM 0 HH21 ARG C 17 11.296 -8.748 2.397 1.00 10.00 H new ATOM 0 HH22 ARG C 17 12.317 -10.182 2.549 1.00 10.00 H new ATOM 1096 N LYS C 18 8.352 -10.119 4.686 1.00 10.00 N ATOM 1097 CA LYS C 18 9.504 -10.810 5.259 1.00 10.00 C ATOM 1098 C LYS C 18 9.087 -11.904 6.255 1.00 10.00 C ATOM 1099 O LYS C 18 9.442 -13.066 6.071 1.00 10.00 O ATOM 1100 CB LYS C 18 10.474 -9.791 5.873 1.00 10.00 C ATOM 1101 CG LYS C 18 11.881 -10.386 5.990 1.00 10.00 C ATOM 1102 CD LYS C 18 12.838 -9.373 6.634 1.00 10.00 C ATOM 1103 CE LYS C 18 14.300 -9.696 6.309 1.00 10.00 C ATOM 1104 NZ LYS C 18 14.661 -11.067 6.709 1.00 10.00 N ATOM 0 H LYS C 18 8.366 -9.109 4.827 1.00 10.00 H new ATOM 0 HA LYS C 18 10.028 -11.330 4.457 1.00 10.00 H new ATOM 0 HB2 LYS C 18 10.504 -8.892 5.257 1.00 10.00 H new ATOM 0 HB3 LYS C 18 10.118 -9.490 6.858 1.00 10.00 H new ATOM 0 HG2 LYS C 18 11.849 -11.297 6.588 1.00 10.00 H new ATOM 0 HG3 LYS C 18 12.248 -10.666 5.002 1.00 10.00 H new ATOM 0 HD2 LYS C 18 12.599 -8.370 6.281 1.00 10.00 H new ATOM 0 HD3 LYS C 18 12.696 -9.373 7.715 1.00 10.00 H new ATOM 0 HE2 LYS C 18 14.470 -9.573 5.239 1.00 10.00 H new ATOM 0 HE3 LYS C 18 14.951 -8.986 6.819 1.00 10.00 H new ATOM 0 HZ1 LYS C 18 15.692 -11.187 6.647 1.00 10.00 H new ATOM 0 HZ2 LYS C 18 14.351 -11.236 7.687 1.00 10.00 H new ATOM 0 HZ3 LYS C 18 14.195 -11.748 6.075 1.00 10.00 H new ATOM 1118 N CYS C 19 8.300 -11.557 7.281 1.00 10.00 N ATOM 1119 CA CYS C 19 7.751 -12.511 8.246 1.00 10.00 C ATOM 1120 C CYS C 19 7.044 -13.689 7.551 1.00 10.00 C ATOM 1121 O CYS C 19 7.265 -14.851 7.884 1.00 10.00 O ATOM 1122 CB CYS C 19 6.780 -11.787 9.190 1.00 10.00 C ATOM 1123 SG CYS C 19 6.150 -12.861 10.501 1.00 10.00 S ATOM 0 H CYS C 19 8.024 -10.592 7.465 1.00 10.00 H new ATOM 0 HA CYS C 19 8.580 -12.925 8.820 1.00 10.00 H new ATOM 0 HB2 CYS C 19 7.285 -10.932 9.638 1.00 10.00 H new ATOM 0 HB3 CYS C 19 5.942 -11.396 8.613 1.00 10.00 H new ATOM 0 HG CYS C 19 5.339 -12.187 11.262 1.00 10.00 H new ATOM 1278 N ILE D 7 -3.193 9.042 16.140 1.00 10.00 N ATOM 1279 CA ILE D 7 -2.285 8.511 17.164 1.00 10.00 C ATOM 1280 C ILE D 7 -2.537 7.023 17.457 1.00 10.00 C ATOM 1281 O ILE D 7 -1.589 6.240 17.504 1.00 10.00 O ATOM 1282 CB ILE D 7 -2.208 9.382 18.434 1.00 10.00 C ATOM 1283 CG1 ILE D 7 -3.529 9.447 19.217 1.00 10.00 C ATOM 1284 CG2 ILE D 7 -1.684 10.782 18.077 1.00 10.00 C ATOM 1285 CD1 ILE D 7 -3.399 10.185 20.552 1.00 10.00 C ATOM 0 HA ILE D 7 -1.286 8.567 16.732 1.00 10.00 H new ATOM 0 HB ILE D 7 -1.503 8.900 19.112 1.00 10.00 H new ATOM 0 HG12 ILE D 7 -4.283 9.943 18.606 1.00 10.00 H new ATOM 0 HG13 ILE D 7 -3.885 8.434 19.402 1.00 10.00 H new ATOM 0 HG21 ILE D 7 -1.632 11.392 18.979 1.00 10.00 H new ATOM 0 HG22 ILE D 7 -0.690 10.697 17.638 1.00 10.00 H new ATOM 0 HG23 ILE D 7 -2.358 11.251 17.360 1.00 10.00 H new ATOM 0 HD11 ILE D 7 -4.365 10.197 21.057 1.00 10.00 H new ATOM 0 HD12 ILE D 7 -2.668 9.676 21.180 1.00 10.00 H new ATOM 0 HD13 ILE D 7 -3.071 11.209 20.371 1.00 10.00 H new ATOM 1297 N GLU D 8 -3.799 6.602 17.587 1.00 10.00 N ATOM 1298 CA GLU D 8 -4.126 5.195 17.810 1.00 10.00 C ATOM 1299 C GLU D 8 -3.685 4.304 16.634 1.00 10.00 C ATOM 1300 O GLU D 8 -3.004 3.295 16.830 1.00 10.00 O ATOM 1301 CB GLU D 8 -5.625 5.056 18.119 1.00 10.00 C ATOM 1302 CG GLU D 8 -6.036 5.791 19.408 1.00 10.00 C ATOM 1303 CD GLU D 8 -5.254 5.328 20.635 1.00 10.00 C ATOM 1304 OE1 GLU D 8 -5.573 4.224 21.127 1.00 10.00 O ATOM 1305 OE2 GLU D 8 -4.347 6.081 21.052 1.00 10.00 O ATOM 0 H GLU D 8 -4.610 7.219 17.541 1.00 10.00 H new ATOM 0 HA GLU D 8 -3.564 4.840 18.674 1.00 10.00 H new ATOM 0 HB2 GLU D 8 -6.202 5.448 17.282 1.00 10.00 H new ATOM 0 HB3 GLU D 8 -5.876 3.999 18.212 1.00 10.00 H new ATOM 0 HG2 GLU D 8 -5.887 6.862 19.272 1.00 10.00 H new ATOM 0 HG3 GLU D 8 -7.101 5.637 19.583 1.00 10.00 H new ATOM 1312 N ALA D 9 -4.038 4.681 15.403 1.00 10.00 N ATOM 1313 CA ALA D 9 -3.630 3.951 14.206 1.00 10.00 C ATOM 1314 C ALA D 9 -2.103 3.903 14.049 1.00 10.00 C ATOM 1315 O ALA D 9 -1.559 2.876 13.660 1.00 10.00 O ATOM 1316 CB ALA D 9 -4.305 4.560 12.976 1.00 10.00 C ATOM 0 H ALA D 9 -4.614 5.500 15.211 1.00 10.00 H new ATOM 0 HA ALA D 9 -3.957 2.916 14.309 1.00 10.00 H new ATOM 0 HB1 ALA D 9 -3.998 4.013 12.084 1.00 10.00 H new ATOM 0 HB2 ALA D 9 -5.388 4.497 13.086 1.00 10.00 H new ATOM 0 HB3 ALA D 9 -4.011 5.605 12.880 1.00 10.00 H new ATOM 1322 N ARG D 10 -1.406 4.994 14.376 1.00 10.00 N ATOM 1323 CA ARG D 10 0.052 5.095 14.401 1.00 10.00 C ATOM 1324 C ARG D 10 0.678 4.185 15.474 1.00 10.00 C ATOM 1325 O ARG D 10 1.686 3.522 15.220 1.00 10.00 O ATOM 1326 CB ARG D 10 0.433 6.575 14.558 1.00 10.00 C ATOM 1327 CG ARG D 10 1.917 6.819 14.862 1.00 10.00 C ATOM 1328 CD ARG D 10 2.099 7.088 16.360 1.00 10.00 C ATOM 1329 NE ARG D 10 3.518 7.103 16.736 1.00 10.00 N ATOM 1330 CZ ARG D 10 4.222 6.032 17.112 1.00 10.00 C ATOM 1331 NH1 ARG D 10 3.736 4.800 16.998 1.00 10.00 N ATOM 1332 NH2 ARG D 10 5.440 6.184 17.620 1.00 10.00 N ATOM 0 H ARG D 10 -1.863 5.866 14.641 1.00 10.00 H new ATOM 0 HA ARG D 10 0.465 4.730 13.460 1.00 10.00 H new ATOM 0 HB2 ARG D 10 0.171 7.104 13.642 1.00 10.00 H new ATOM 0 HB3 ARG D 10 -0.165 7.009 15.359 1.00 10.00 H new ATOM 0 HG2 ARG D 10 2.507 5.952 14.564 1.00 10.00 H new ATOM 0 HG3 ARG D 10 2.282 7.667 14.283 1.00 10.00 H new ATOM 0 HD2 ARG D 10 1.643 8.044 16.617 1.00 10.00 H new ATOM 0 HD3 ARG D 10 1.578 6.322 16.934 1.00 10.00 H new ATOM 0 HE ARG D 10 4.003 8.000 16.708 1.00 10.00 H new ATOM 0 HH11 ARG D 10 2.802 4.654 16.615 1.00 10.00 H new ATOM 0 HH12 ARG D 10 4.297 4.001 17.294 1.00 10.00 H new ATOM 0 HH21 ARG D 10 5.837 7.118 17.723 1.00 10.00 H new ATOM 0 HH22 ARG D 10 5.978 5.367 17.907 1.00 10.00 H new ATOM 1346 N LYS D 11 0.101 4.136 16.679 1.00 10.00 N ATOM 1347 CA LYS D 11 0.512 3.179 17.707 1.00 10.00 C ATOM 1348 C LYS D 11 0.343 1.738 17.203 1.00 10.00 C ATOM 1349 O LYS D 11 1.300 0.966 17.211 1.00 10.00 O ATOM 1350 CB LYS D 11 -0.271 3.426 19.005 1.00 10.00 C ATOM 1351 CG LYS D 11 0.203 4.703 19.710 1.00 10.00 C ATOM 1352 CD LYS D 11 -0.751 5.045 20.862 1.00 10.00 C ATOM 1353 CE LYS D 11 -0.406 6.396 21.498 1.00 10.00 C ATOM 1354 NZ LYS D 11 0.925 6.381 22.127 1.00 10.00 N ATOM 0 H LYS D 11 -0.658 4.754 16.966 1.00 10.00 H new ATOM 0 HA LYS D 11 1.570 3.324 17.925 1.00 10.00 H new ATOM 0 HB2 LYS D 11 -1.335 3.506 18.780 1.00 10.00 H new ATOM 0 HB3 LYS D 11 -0.149 2.573 19.673 1.00 10.00 H new ATOM 0 HG2 LYS D 11 1.214 4.564 20.092 1.00 10.00 H new ATOM 0 HG3 LYS D 11 0.241 5.529 19.000 1.00 10.00 H new ATOM 0 HD2 LYS D 11 -1.776 5.068 20.492 1.00 10.00 H new ATOM 0 HD3 LYS D 11 -0.703 4.263 21.619 1.00 10.00 H new ATOM 0 HE2 LYS D 11 -0.439 7.175 20.736 1.00 10.00 H new ATOM 0 HE3 LYS D 11 -1.158 6.648 22.245 1.00 10.00 H new ATOM 0 HZ1 LYS D 11 1.094 7.290 22.604 1.00 10.00 H new ATOM 0 HZ2 LYS D 11 0.971 5.610 22.824 1.00 10.00 H new ATOM 0 HZ3 LYS D 11 1.652 6.233 21.398 1.00 10.00 H new ATOM 1368 N TYR D 12 -0.855 1.386 16.724 1.00 10.00 N ATOM 1369 CA TYR D 12 -1.136 0.076 16.139 1.00 10.00 C ATOM 1370 C TYR D 12 -0.154 -0.280 15.008 1.00 10.00 C ATOM 1371 O TYR D 12 0.465 -1.340 15.028 1.00 10.00 O ATOM 1372 CB TYR D 12 -2.587 0.041 15.649 1.00 10.00 C ATOM 1373 CG TYR D 12 -2.979 -1.273 15.002 1.00 10.00 C ATOM 1374 CD1 TYR D 12 -3.358 -2.365 15.805 1.00 10.00 C ATOM 1375 CD2 TYR D 12 -2.880 -1.433 13.606 1.00 10.00 C ATOM 1376 CE1 TYR D 12 -3.666 -3.600 15.211 1.00 10.00 C ATOM 1377 CE2 TYR D 12 -3.177 -2.674 13.016 1.00 10.00 C ATOM 1378 CZ TYR D 12 -3.579 -3.753 13.820 1.00 10.00 C ATOM 1379 OH TYR D 12 -3.878 -4.952 13.254 1.00 10.00 O ATOM 0 H TYR D 12 -1.662 2.010 16.733 1.00 10.00 H new ATOM 0 HA TYR D 12 -0.998 -0.681 16.911 1.00 10.00 H new ATOM 0 HB2 TYR D 12 -3.251 0.233 16.492 1.00 10.00 H new ATOM 0 HB3 TYR D 12 -2.739 0.848 14.933 1.00 10.00 H new ATOM 0 HD1 TYR D 12 -3.412 -2.253 16.878 1.00 10.00 H new ATOM 0 HD2 TYR D 12 -2.576 -0.601 12.988 1.00 10.00 H new ATOM 0 HE1 TYR D 12 -3.970 -4.433 15.827 1.00 10.00 H new ATOM 0 HE2 TYR D 12 -3.096 -2.797 11.946 1.00 10.00 H new ATOM 0 HH TYR D 12 -3.769 -4.891 12.282 1.00 10.00 H new ATOM 1389 N LEU D 13 -0.010 0.617 14.028 1.00 10.00 N ATOM 1390 CA LEU D 13 0.934 0.528 12.916 1.00 10.00 C ATOM 1391 C LEU D 13 2.342 0.184 13.412 1.00 10.00 C ATOM 1392 O LEU D 13 2.890 -0.856 13.047 1.00 10.00 O ATOM 1393 CB LEU D 13 0.897 1.861 12.148 1.00 10.00 C ATOM 1394 CG LEU D 13 1.966 2.053 11.062 1.00 10.00 C ATOM 1395 CD1 LEU D 13 1.893 0.950 10.009 1.00 10.00 C ATOM 1396 CD2 LEU D 13 1.754 3.411 10.384 1.00 10.00 C ATOM 0 H LEU D 13 -0.577 1.464 13.989 1.00 10.00 H new ATOM 0 HA LEU D 13 0.648 -0.280 12.243 1.00 10.00 H new ATOM 0 HB2 LEU D 13 -0.084 1.960 11.683 1.00 10.00 H new ATOM 0 HB3 LEU D 13 0.992 2.673 12.869 1.00 10.00 H new ATOM 0 HG LEU D 13 2.947 2.010 11.535 1.00 10.00 H new ATOM 0 HD11 LEU D 13 2.663 1.115 9.255 1.00 10.00 H new ATOM 0 HD12 LEU D 13 2.052 -0.018 10.484 1.00 10.00 H new ATOM 0 HD13 LEU D 13 0.912 0.964 9.535 1.00 10.00 H new ATOM 0 HD21 LEU D 13 2.510 3.554 9.612 1.00 10.00 H new ATOM 0 HD22 LEU D 13 0.763 3.441 9.932 1.00 10.00 H new ATOM 0 HD23 LEU D 13 1.839 4.205 11.126 1.00 10.00 H new ATOM 1408 N GLU D 14 2.921 1.041 14.262 1.00 10.00 N ATOM 1409 CA GLU D 14 4.253 0.808 14.807 1.00 10.00 C ATOM 1410 C GLU D 14 4.335 -0.525 15.566 1.00 10.00 C ATOM 1411 O GLU D 14 5.250 -1.308 15.335 1.00 10.00 O ATOM 1412 CB GLU D 14 4.661 1.993 15.685 1.00 10.00 C ATOM 1413 CG GLU D 14 6.117 1.842 16.159 1.00 10.00 C ATOM 1414 CD GLU D 14 6.612 3.066 16.921 1.00 10.00 C ATOM 1415 OE1 GLU D 14 5.965 3.398 17.939 1.00 10.00 O ATOM 1416 OE2 GLU D 14 7.612 3.662 16.469 1.00 10.00 O ATOM 0 H GLU D 14 2.482 1.903 14.585 1.00 10.00 H new ATOM 0 HA GLU D 14 4.960 0.729 13.981 1.00 10.00 H new ATOM 0 HB2 GLU D 14 4.550 2.922 15.126 1.00 10.00 H new ATOM 0 HB3 GLU D 14 3.997 2.059 16.547 1.00 10.00 H new ATOM 0 HG2 GLU D 14 6.198 0.963 16.798 1.00 10.00 H new ATOM 0 HG3 GLU D 14 6.761 1.670 15.296 1.00 10.00 H new ATOM 1423 N GLN D 15 3.385 -0.795 16.465 1.00 10.00 N ATOM 1424 CA GLN D 15 3.353 -2.028 17.245 1.00 10.00 C ATOM 1425 C GLN D 15 3.335 -3.278 16.350 1.00 10.00 C ATOM 1426 O GLN D 15 4.123 -4.203 16.560 1.00 10.00 O ATOM 1427 CB GLN D 15 2.153 -1.985 18.202 1.00 10.00 C ATOM 1428 CG GLN D 15 1.963 -3.264 19.036 1.00 10.00 C ATOM 1429 CD GLN D 15 3.145 -3.592 19.941 1.00 10.00 C ATOM 1430 OE1 GLN D 15 3.115 -3.339 21.138 1.00 10.00 O ATOM 1431 NE2 GLN D 15 4.199 -4.187 19.399 1.00 10.00 N ATOM 0 H GLN D 15 2.614 -0.159 16.671 1.00 10.00 H new ATOM 0 HA GLN D 15 4.269 -2.099 17.831 1.00 10.00 H new ATOM 0 HB2 GLN D 15 2.272 -1.139 18.878 1.00 10.00 H new ATOM 0 HB3 GLN D 15 1.247 -1.805 17.623 1.00 10.00 H new ATOM 0 HG2 GLN D 15 1.068 -3.157 19.648 1.00 10.00 H new ATOM 0 HG3 GLN D 15 1.790 -4.103 18.362 1.00 10.00 H new ATOM 0 HE21 GLN D 15 4.211 -4.392 18.400 1.00 10.00 H new ATOM 0 HE22 GLN D 15 4.998 -4.439 19.981 1.00 10.00 H new ATOM 1440 N LEU D 16 2.433 -3.318 15.367 1.00 10.00 N ATOM 1441 CA LEU D 16 2.311 -4.431 14.431 1.00 10.00 C ATOM 1442 C LEU D 16 3.573 -4.570 13.568 1.00 10.00 C ATOM 1443 O LEU D 16 4.157 -5.649 13.497 1.00 10.00 O ATOM 1444 CB LEU D 16 1.031 -4.255 13.600 1.00 10.00 C ATOM 1445 CG LEU D 16 0.798 -5.369 12.566 1.00 10.00 C ATOM 1446 CD1 LEU D 16 0.832 -6.773 13.184 1.00 10.00 C ATOM 1447 CD2 LEU D 16 -0.575 -5.168 11.917 1.00 10.00 C ATOM 0 H LEU D 16 1.761 -2.569 15.199 1.00 10.00 H new ATOM 0 HA LEU D 16 2.225 -5.368 14.981 1.00 10.00 H new ATOM 0 HB2 LEU D 16 0.175 -4.214 14.274 1.00 10.00 H new ATOM 0 HB3 LEU D 16 1.075 -3.297 13.083 1.00 10.00 H new ATOM 0 HG LEU D 16 1.606 -5.303 11.837 1.00 10.00 H new ATOM 0 HD11 LEU D 16 0.661 -7.517 12.406 1.00 10.00 H new ATOM 0 HD12 LEU D 16 1.805 -6.945 13.643 1.00 10.00 H new ATOM 0 HD13 LEU D 16 0.053 -6.856 13.942 1.00 10.00 H new ATOM 0 HD21 LEU D 16 -0.749 -5.954 11.182 1.00 10.00 H new ATOM 0 HD22 LEU D 16 -1.349 -5.210 12.683 1.00 10.00 H new ATOM 0 HD23 LEU D 16 -0.605 -4.197 11.423 1.00 10.00 H new ATOM 1459 N HIS D 17 4.033 -3.476 12.953 1.00 10.00 N ATOM 1460 CA HIS D 17 5.307 -3.435 12.236 1.00 10.00 C ATOM 1461 C HIS D 17 6.461 -3.998 13.084 1.00 10.00 C ATOM 1462 O HIS D 17 7.214 -4.853 12.627 1.00 10.00 O ATOM 1463 CB HIS D 17 5.576 -1.988 11.812 1.00 10.00 C ATOM 1464 CG HIS D 17 6.922 -1.756 11.178 1.00 10.00 C ATOM 1465 ND1 HIS D 17 7.648 -2.652 10.422 1.00 10.00 N ATOM 1466 CD2 HIS D 17 7.673 -0.619 11.311 1.00 10.00 C ATOM 1467 CE1 HIS D 17 8.811 -2.056 10.110 1.00 10.00 C ATOM 1468 NE2 HIS D 17 8.875 -0.821 10.628 1.00 10.00 N ATOM 0 H HIS D 17 3.528 -2.590 12.940 1.00 10.00 H new ATOM 0 HA HIS D 17 5.244 -4.071 11.353 1.00 10.00 H new ATOM 0 HB2 HIS D 17 4.801 -1.680 11.110 1.00 10.00 H new ATOM 0 HB3 HIS D 17 5.487 -1.345 12.688 1.00 10.00 H new ATOM 0 HD1 HIS D 17 7.357 -3.591 10.151 1.00 10.00 H new ATOM 0 HD2 HIS D 17 7.388 0.274 11.848 1.00 10.00 H new ATOM 0 HE1 HIS D 17 9.592 -2.512 9.519 1.00 10.00 H new ATOM 1476 N ARG D 18 6.587 -3.535 14.329 1.00 10.00 N ATOM 1477 CA ARG D 18 7.587 -3.981 15.294 1.00 10.00 C ATOM 1478 C ARG D 18 7.450 -5.476 15.637 1.00 10.00 C ATOM 1479 O ARG D 18 8.455 -6.182 15.742 1.00 10.00 O ATOM 1480 CB ARG D 18 7.511 -3.053 16.516 1.00 10.00 C ATOM 1481 CG ARG D 18 8.458 -3.444 17.656 1.00 10.00 C ATOM 1482 CD ARG D 18 7.700 -4.251 18.717 1.00 10.00 C ATOM 1483 NE ARG D 18 8.612 -4.812 19.723 1.00 10.00 N ATOM 1484 CZ ARG D 18 9.364 -5.901 19.545 1.00 10.00 C ATOM 1485 NH1 ARG D 18 9.474 -6.492 18.361 1.00 10.00 N ATOM 1486 NH2 ARG D 18 10.022 -6.438 20.566 1.00 10.00 N ATOM 0 H ARG D 18 5.972 -2.813 14.704 1.00 10.00 H new ATOM 0 HA ARG D 18 8.585 -3.907 14.862 1.00 10.00 H new ATOM 0 HB2 ARG D 18 7.739 -2.035 16.201 1.00 10.00 H new ATOM 0 HB3 ARG D 18 6.488 -3.048 16.893 1.00 10.00 H new ATOM 0 HG2 ARG D 18 9.288 -4.032 17.264 1.00 10.00 H new ATOM 0 HG3 ARG D 18 8.887 -2.549 18.106 1.00 10.00 H new ATOM 0 HD2 ARG D 18 6.966 -3.611 19.207 1.00 10.00 H new ATOM 0 HD3 ARG D 18 7.148 -5.058 18.235 1.00 10.00 H new ATOM 0 HE ARG D 18 8.675 -4.335 20.622 1.00 10.00 H new ATOM 0 HH11 ARG D 18 8.976 -6.115 17.555 1.00 10.00 H new ATOM 0 HH12 ARG D 18 10.057 -7.323 18.258 1.00 10.00 H new ATOM 0 HH21 ARG D 18 9.955 -6.019 21.493 1.00 10.00 H new ATOM 0 HH22 ARG D 18 10.595 -7.270 20.423 1.00 10.00 H new ATOM 1500 N LYS D 19 6.226 -5.984 15.811 1.00 10.00 N ATOM 1501 CA LYS D 19 5.992 -7.421 15.975 1.00 10.00 C ATOM 1502 C LYS D 19 6.449 -8.212 14.740 1.00 10.00 C ATOM 1503 O LYS D 19 7.207 -9.171 14.863 1.00 10.00 O ATOM 1504 CB LYS D 19 4.513 -7.687 16.285 1.00 10.00 C ATOM 1505 CG LYS D 19 4.190 -7.332 17.740 1.00 10.00 C ATOM 1506 CD LYS D 19 2.687 -7.144 17.998 1.00 10.00 C ATOM 1507 CE LYS D 19 1.858 -8.415 17.769 1.00 10.00 C ATOM 1508 NZ LYS D 19 1.506 -8.602 16.349 1.00 10.00 N ATOM 0 H LYS D 19 5.378 -5.417 15.842 1.00 10.00 H new ATOM 0 HA LYS D 19 6.590 -7.766 16.818 1.00 10.00 H new ATOM 0 HB2 LYS D 19 3.885 -7.100 15.615 1.00 10.00 H new ATOM 0 HB3 LYS D 19 4.281 -8.736 16.102 1.00 10.00 H new ATOM 0 HG2 LYS D 19 4.568 -8.119 18.392 1.00 10.00 H new ATOM 0 HG3 LYS D 19 4.716 -6.416 18.009 1.00 10.00 H new ATOM 0 HD2 LYS D 19 2.543 -6.807 19.025 1.00 10.00 H new ATOM 0 HD3 LYS D 19 2.312 -6.354 17.348 1.00 10.00 H new ATOM 0 HE2 LYS D 19 2.419 -9.281 18.120 1.00 10.00 H new ATOM 0 HE3 LYS D 19 0.946 -8.364 18.364 1.00 10.00 H new ATOM 0 HZ1 LYS D 19 0.547 -8.997 16.278 1.00 10.00 H new ATOM 0 HZ2 LYS D 19 1.540 -7.685 15.859 1.00 10.00 H new ATOM 0 HZ3 LYS D 19 2.183 -9.256 15.907 1.00 10.00 H new ATOM 1522 N LEU D 20 6.015 -7.806 13.544 1.00 10.00 N ATOM 1523 CA LEU D 20 6.411 -8.450 12.291 1.00 10.00 C ATOM 1524 C LEU D 20 7.935 -8.420 12.094 1.00 10.00 C ATOM 1525 O LEU D 20 8.550 -9.434 11.771 1.00 10.00 O ATOM 1526 CB LEU D 20 5.673 -7.794 11.120 1.00 10.00 C ATOM 1527 CG LEU D 20 4.150 -8.010 11.184 1.00 10.00 C ATOM 1528 CD1 LEU D 20 3.477 -7.032 10.219 1.00 10.00 C ATOM 1529 CD2 LEU D 20 3.759 -9.450 10.831 1.00 10.00 C ATOM 0 H LEU D 20 5.378 -7.020 13.418 1.00 10.00 H new ATOM 0 HA LEU D 20 6.128 -9.502 12.334 1.00 10.00 H new ATOM 0 HB2 LEU D 20 5.885 -6.725 11.115 1.00 10.00 H new ATOM 0 HB3 LEU D 20 6.054 -8.199 10.183 1.00 10.00 H new ATOM 0 HG LEU D 20 3.817 -7.829 12.206 1.00 10.00 H new ATOM 0 HD11 LEU D 20 2.397 -7.173 10.253 1.00 10.00 H new ATOM 0 HD12 LEU D 20 3.719 -6.010 10.509 1.00 10.00 H new ATOM 0 HD13 LEU D 20 3.835 -7.216 9.206 1.00 10.00 H new ATOM 0 HD21 LEU D 20 2.676 -9.558 10.889 1.00 10.00 H new ATOM 0 HD22 LEU D 20 4.093 -9.680 9.819 1.00 10.00 H new ATOM 0 HD23 LEU D 20 4.230 -10.138 11.534 1.00 10.00 H new ATOM 1541 N LYS D 21 8.573 -7.275 12.349 1.00 10.00 N ATOM 1542 CA LYS D 21 10.029 -7.166 12.399 1.00 10.00 C ATOM 1543 C LYS D 21 10.642 -8.238 13.318 1.00 10.00 C ATOM 1544 O LYS D 21 11.630 -8.876 12.956 1.00 10.00 O ATOM 1545 CB LYS D 21 10.413 -5.744 12.831 1.00 10.00 C ATOM 1546 CG LYS D 21 11.914 -5.481 12.656 1.00 10.00 C ATOM 1547 CD LYS D 21 12.221 -4.026 13.037 1.00 10.00 C ATOM 1548 CE LYS D 21 13.721 -3.721 12.941 1.00 10.00 C ATOM 1549 NZ LYS D 21 14.210 -3.813 11.552 1.00 10.00 N ATOM 0 H LYS D 21 8.090 -6.395 12.527 1.00 10.00 H new ATOM 0 HA LYS D 21 10.439 -7.349 11.406 1.00 10.00 H new ATOM 0 HB2 LYS D 21 9.847 -5.021 12.245 1.00 10.00 H new ATOM 0 HB3 LYS D 21 10.137 -5.594 13.875 1.00 10.00 H new ATOM 0 HG2 LYS D 21 12.490 -6.162 13.282 1.00 10.00 H new ATOM 0 HG3 LYS D 21 12.210 -5.669 11.624 1.00 10.00 H new ATOM 0 HD2 LYS D 21 11.670 -3.353 12.380 1.00 10.00 H new ATOM 0 HD3 LYS D 21 11.875 -3.834 14.053 1.00 10.00 H new ATOM 0 HE2 LYS D 21 13.914 -2.721 13.329 1.00 10.00 H new ATOM 0 HE3 LYS D 21 14.275 -4.419 13.569 1.00 10.00 H new ATOM 0 HZ1 LYS D 21 15.196 -3.486 11.509 1.00 10.00 H new ATOM 0 HZ2 LYS D 21 14.158 -4.801 11.230 1.00 10.00 H new ATOM 0 HZ3 LYS D 21 13.621 -3.217 10.936 1.00 10.00 H new ATOM 1563 N ASN D 22 10.026 -8.486 14.481 1.00 10.00 N ATOM 1564 CA ASN D 22 10.453 -9.536 15.408 1.00 10.00 C ATOM 1565 C ASN D 22 10.436 -10.959 14.820 1.00 10.00 C ATOM 1566 O ASN D 22 11.045 -11.847 15.413 1.00 10.00 O ATOM 1567 CB ASN D 22 9.628 -9.490 16.703 1.00 10.00 C ATOM 1568 CG ASN D 22 10.479 -9.776 17.938 1.00 10.00 C ATOM 1569 OD1 ASN D 22 10.595 -8.941 18.828 1.00 10.00 O ATOM 1570 ND2 ASN D 22 11.108 -10.938 18.009 1.00 10.00 N ATOM 0 H ASN D 22 9.214 -7.960 14.805 1.00 10.00 H new ATOM 0 HA ASN D 22 11.499 -9.315 15.622 1.00 10.00 H new ATOM 0 HB2 ASN D 22 9.165 -8.508 16.802 1.00 10.00 H new ATOM 0 HB3 ASN D 22 8.820 -10.219 16.643 1.00 10.00 H new ATOM 0 HD21 ASN D 22 11.700 -11.149 18.813 1.00 10.00 H new ATOM 0 HD22 ASN D 22 11.001 -11.622 17.260 1.00 10.00 H new