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 -70:sc= 1.92 USER MOD Set 1.2: D 17 HIS : no HE2:sc= 0.211 K(o=2.1,f=-4.8!) USER MOD Set 2.1: A 15 THR OG1 : rot -74:sc= 1.77 USER MOD Set 2.2: B 17 HIS : no HE2:sc= 0.32 K(o=3.1,f=-6.1!) USER MOD Set 2.3: B 21 LYS NZ :NH3+ -163:sc= 1.01 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0099 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -175:sc=-0.00716 (180deg=-0.0839) USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0295) USER MOD Single : B 11 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0506) USER MOD Single : B 12 TYR OH : rot 180:sc= 1.08 USER MOD Single : B 15 GLN : amide:sc= 0.0775 X(o=0.078,f=0) USER MOD Single : B 19 LYS NZ :NH3+ -173:sc= -0.0498 (180deg=-0.113) USER MOD Single : B 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 10 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : C 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 LYS NZ :NH3+ -174:sc=-0.000193 (180deg=-0.0347) USER MOD Single : C 19 CYS SG : rot -17:sc= 0 USER MOD Single : D 11 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.039) USER MOD Single : D 12 TYR OH : rot 180:sc= 0 USER MOD Single : D 15 GLN : amide:sc= -0.487 X(o=-0.49,f=-0.029) USER MOD Single : D 19 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0418) USER MOD Single : D 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 22 ASN : amide:sc= 1.17 K(o=1.2,f=-9.2!) USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 6 -3.876 6.446 6.789 1.00 10.00 N ATOM 88 CA PRO A 6 -5.195 6.733 6.237 1.00 10.00 C ATOM 89 C PRO A 6 -6.190 5.598 6.537 1.00 10.00 C ATOM 90 O PRO A 6 -5.767 4.474 6.812 1.00 10.00 O ATOM 91 CB PRO A 6 -4.953 6.853 4.730 1.00 10.00 C ATOM 92 CG PRO A 6 -3.867 5.807 4.498 1.00 10.00 C ATOM 93 CD PRO A 6 -2.984 5.978 5.735 1.00 10.00 C ATOM 0 HA PRO A 6 -5.632 7.633 6.669 1.00 10.00 H new ATOM 0 HB2 PRO A 6 -5.854 6.640 4.154 1.00 10.00 H new ATOM 0 HB3 PRO A 6 -4.623 7.853 4.448 1.00 10.00 H new ATOM 0 HG2 PRO A 6 -4.279 4.800 4.428 1.00 10.00 H new ATOM 0 HG3 PRO A 6 -3.316 5.990 3.576 1.00 10.00 H new ATOM 0 HD2 PRO A 6 -2.510 5.036 6.012 1.00 10.00 H new ATOM 0 HD3 PRO A 6 -2.184 6.695 5.550 1.00 10.00 H new ATOM 101 N PRO A 7 -7.508 5.846 6.414 1.00 10.00 N ATOM 102 CA PRO A 7 -8.536 4.809 6.513 1.00 10.00 C ATOM 103 C PRO A 7 -8.218 3.579 5.653 1.00 10.00 C ATOM 104 O PRO A 7 -8.415 2.445 6.082 1.00 10.00 O ATOM 105 CB PRO A 7 -9.843 5.480 6.076 1.00 10.00 C ATOM 106 CG PRO A 7 -9.607 6.949 6.413 1.00 10.00 C ATOM 107 CD PRO A 7 -8.123 7.128 6.100 1.00 10.00 C ATOM 0 HA PRO A 7 -8.600 4.425 7.531 1.00 10.00 H new ATOM 0 HB2 PRO A 7 -10.034 5.336 5.013 1.00 10.00 H new ATOM 0 HB3 PRO A 7 -10.702 5.076 6.612 1.00 10.00 H new ATOM 0 HG2 PRO A 7 -10.231 7.609 5.810 1.00 10.00 H new ATOM 0 HG3 PRO A 7 -9.830 7.166 7.458 1.00 10.00 H new ATOM 0 HD2 PRO A 7 -7.971 7.392 5.053 1.00 10.00 H new ATOM 0 HD3 PRO A 7 -7.689 7.930 6.697 1.00 10.00 H new ATOM 115 N GLY A 8 -7.680 3.814 4.449 1.00 10.00 N ATOM 116 CA GLY A 8 -7.176 2.782 3.547 1.00 10.00 C ATOM 117 C GLY A 8 -6.288 1.735 4.233 1.00 10.00 C ATOM 118 O GLY A 8 -6.379 0.553 3.913 1.00 10.00 O ATOM 0 H GLY A 8 -7.583 4.756 4.069 1.00 10.00 H new ATOM 0 HA2 GLY A 8 -8.022 2.277 3.080 1.00 10.00 H new ATOM 0 HA3 GLY A 8 -6.608 3.258 2.748 1.00 10.00 H new ATOM 122 N PHE A 9 -5.441 2.140 5.187 1.00 10.00 N ATOM 123 CA PHE A 9 -4.620 1.198 5.946 1.00 10.00 C ATOM 124 C PHE A 9 -5.485 0.294 6.835 1.00 10.00 C ATOM 125 O PHE A 9 -5.389 -0.928 6.765 1.00 10.00 O ATOM 126 CB PHE A 9 -3.574 1.953 6.767 1.00 10.00 C ATOM 127 CG PHE A 9 -2.827 1.064 7.739 1.00 10.00 C ATOM 128 CD1 PHE A 9 -1.908 0.115 7.257 1.00 10.00 C ATOM 129 CD2 PHE A 9 -3.172 1.071 9.103 1.00 10.00 C ATOM 130 CE1 PHE A 9 -1.285 -0.777 8.147 1.00 10.00 C ATOM 131 CE2 PHE A 9 -2.524 0.206 9.997 1.00 10.00 C ATOM 132 CZ PHE A 9 -1.578 -0.719 9.521 1.00 10.00 C ATOM 0 H PHE A 9 -5.308 3.117 5.450 1.00 10.00 H new ATOM 0 HA PHE A 9 -4.099 0.550 5.241 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -2.860 2.423 6.091 1.00 10.00 H new ATOM 0 HB3 PHE A 9 -4.064 2.755 7.320 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -1.681 0.071 6.202 1.00 10.00 H new ATOM 0 HD2 PHE A 9 -3.937 1.743 9.462 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -0.581 -1.507 7.775 1.00 10.00 H new ATOM 0 HE2 PHE A 9 -2.752 0.250 11.052 1.00 10.00 H new ATOM 0 HZ PHE A 9 -1.077 -1.384 10.209 1.00 10.00 H new ATOM 142 N THR A 10 -6.357 0.882 7.656 1.00 10.00 N ATOM 143 CA THR A 10 -7.306 0.128 8.475 1.00 10.00 C ATOM 144 C THR A 10 -8.122 -0.844 7.613 1.00 10.00 C ATOM 145 O THR A 10 -8.235 -2.031 7.921 1.00 10.00 O ATOM 146 CB THR A 10 -8.220 1.110 9.224 1.00 10.00 C ATOM 147 OG1 THR A 10 -7.435 2.109 9.842 1.00 10.00 O ATOM 148 CG2 THR A 10 -9.041 0.406 10.305 1.00 10.00 C ATOM 0 H THR A 10 -6.425 1.893 7.771 1.00 10.00 H new ATOM 0 HA THR A 10 -6.757 -0.470 9.203 1.00 10.00 H new ATOM 0 HB THR A 10 -8.902 1.546 8.494 1.00 10.00 H new ATOM 0 HG1 THR A 10 -8.019 2.736 10.318 1.00 10.00 H new ATOM 0 HG21 THR A 10 -9.675 1.134 10.812 1.00 10.00 H new ATOM 0 HG22 THR A 10 -9.665 -0.361 9.846 1.00 10.00 H new ATOM 0 HG23 THR A 10 -8.370 -0.057 11.028 1.00 10.00 H new ATOM 156 N ALA A 11 -8.658 -0.344 6.497 1.00 10.00 N ATOM 157 CA ALA A 11 -9.378 -1.142 5.514 1.00 10.00 C ATOM 158 C ALA A 11 -8.511 -2.280 4.946 1.00 10.00 C ATOM 159 O ALA A 11 -8.963 -3.423 4.879 1.00 10.00 O ATOM 160 CB ALA A 11 -9.920 -0.213 4.426 1.00 10.00 C ATOM 0 H ALA A 11 -8.600 0.644 6.251 1.00 10.00 H new ATOM 0 HA ALA A 11 -10.219 -1.639 5.998 1.00 10.00 H new ATOM 0 HB1 ALA A 11 -10.461 -0.799 3.684 1.00 10.00 H new ATOM 0 HB2 ALA A 11 -10.594 0.517 4.874 1.00 10.00 H new ATOM 0 HB3 ALA A 11 -9.091 0.306 3.944 1.00 10.00 H new ATOM 166 N LEU A 12 -7.255 -2.000 4.575 1.00 10.00 N ATOM 167 CA LEU A 12 -6.283 -3.028 4.205 1.00 10.00 C ATOM 168 C LEU A 12 -6.163 -4.091 5.299 1.00 10.00 C ATOM 169 O LEU A 12 -6.358 -5.264 5.014 1.00 10.00 O ATOM 170 CB LEU A 12 -4.922 -2.415 3.836 1.00 10.00 C ATOM 171 CG LEU A 12 -3.921 -3.474 3.332 1.00 10.00 C ATOM 172 CD1 LEU A 12 -2.985 -2.859 2.290 1.00 10.00 C ATOM 173 CD2 LEU A 12 -3.044 -4.046 4.458 1.00 10.00 C ATOM 0 H LEU A 12 -6.887 -1.050 4.524 1.00 10.00 H new ATOM 0 HA LEU A 12 -6.651 -3.529 3.309 1.00 10.00 H new ATOM 0 HB2 LEU A 12 -5.064 -1.657 3.066 1.00 10.00 H new ATOM 0 HB3 LEU A 12 -4.505 -1.910 4.707 1.00 10.00 H new ATOM 0 HG LEU A 12 -4.520 -4.280 2.907 1.00 10.00 H new ATOM 0 HD11 LEU A 12 -2.282 -3.615 1.941 1.00 10.00 H new ATOM 0 HD12 LEU A 12 -3.570 -2.491 1.447 1.00 10.00 H new ATOM 0 HD13 LEU A 12 -2.435 -2.032 2.738 1.00 10.00 H new ATOM 0 HD21 LEU A 12 -2.359 -4.786 4.045 1.00 10.00 H new ATOM 0 HD22 LEU A 12 -2.473 -3.240 4.919 1.00 10.00 H new ATOM 0 HD23 LEU A 12 -3.678 -4.517 5.209 1.00 10.00 H new ATOM 185 N ILE A 13 -5.873 -3.709 6.546 1.00 10.00 N ATOM 186 CA ILE A 13 -5.755 -4.651 7.662 1.00 10.00 C ATOM 187 C ILE A 13 -7.009 -5.531 7.800 1.00 10.00 C ATOM 188 O ILE A 13 -6.910 -6.759 7.830 1.00 10.00 O ATOM 189 CB ILE A 13 -5.414 -3.895 8.962 1.00 10.00 C ATOM 190 CG1 ILE A 13 -4.022 -3.233 8.913 1.00 10.00 C ATOM 191 CG2 ILE A 13 -5.531 -4.799 10.199 1.00 10.00 C ATOM 192 CD1 ILE A 13 -2.841 -4.211 8.931 1.00 10.00 C ATOM 0 H ILE A 13 -5.713 -2.737 6.810 1.00 10.00 H new ATOM 0 HA ILE A 13 -4.932 -5.335 7.453 1.00 10.00 H new ATOM 0 HB ILE A 13 -6.155 -3.100 9.047 1.00 10.00 H new ATOM 0 HG12 ILE A 13 -3.957 -2.624 8.011 1.00 10.00 H new ATOM 0 HG13 ILE A 13 -3.927 -2.556 9.762 1.00 10.00 H new ATOM 0 HG21 ILE A 13 -5.282 -4.227 11.093 1.00 10.00 H new ATOM 0 HG22 ILE A 13 -6.551 -5.174 10.280 1.00 10.00 H new ATOM 0 HG23 ILE A 13 -4.843 -5.639 10.103 1.00 10.00 H new ATOM 0 HD11 ILE A 13 -1.906 -3.653 8.894 1.00 10.00 H new ATOM 0 HD12 ILE A 13 -2.873 -4.804 9.845 1.00 10.00 H new ATOM 0 HD13 ILE A 13 -2.903 -4.873 8.067 1.00 10.00 H new ATOM 204 N LYS A 14 -8.200 -4.923 7.851 1.00 10.00 N ATOM 205 CA LYS A 14 -9.455 -5.674 7.905 1.00 10.00 C ATOM 206 C LYS A 14 -9.606 -6.643 6.720 1.00 10.00 C ATOM 207 O LYS A 14 -9.906 -7.822 6.908 1.00 10.00 O ATOM 208 CB LYS A 14 -10.646 -4.708 7.990 1.00 10.00 C ATOM 209 CG LYS A 14 -10.709 -3.905 9.300 1.00 10.00 C ATOM 210 CD LYS A 14 -10.777 -4.751 10.582 1.00 10.00 C ATOM 211 CE LYS A 14 -11.943 -5.745 10.569 1.00 10.00 C ATOM 212 NZ LYS A 14 -12.066 -6.429 11.868 1.00 10.00 N ATOM 0 H LYS A 14 -8.319 -3.910 7.856 1.00 10.00 H new ATOM 0 HA LYS A 14 -9.436 -6.287 8.806 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -10.597 -4.013 7.152 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -11.570 -5.276 7.879 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -9.832 -3.260 9.355 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -11.582 -3.253 9.267 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -9.841 -5.296 10.704 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -10.876 -4.091 11.444 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -12.871 -5.220 10.341 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -11.790 -6.481 9.779 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.862 -7.097 11.835 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -11.188 -6.947 12.072 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -12.235 -5.726 12.616 1.00 10.00 H new ATOM 226 N THR A 15 -9.389 -6.165 5.493 1.00 10.00 N ATOM 227 CA THR A 15 -9.486 -7.013 4.302 1.00 10.00 C ATOM 228 C THR A 15 -8.371 -8.070 4.207 1.00 10.00 C ATOM 229 O THR A 15 -8.598 -9.144 3.660 1.00 10.00 O ATOM 230 CB THR A 15 -9.654 -6.191 3.015 1.00 10.00 C ATOM 231 OG1 THR A 15 -8.626 -5.238 2.838 1.00 10.00 O ATOM 232 CG2 THR A 15 -11.002 -5.468 3.032 1.00 10.00 C ATOM 0 H THR A 15 -9.145 -5.194 5.297 1.00 10.00 H new ATOM 0 HA THR A 15 -10.404 -7.589 4.419 1.00 10.00 H new ATOM 0 HB THR A 15 -9.603 -6.894 2.184 1.00 10.00 H new ATOM 0 HG1 THR A 15 -8.764 -4.490 3.456 1.00 10.00 H new ATOM 0 HG21 THR A 15 -11.115 -4.887 2.117 1.00 10.00 H new ATOM 0 HG22 THR A 15 -11.807 -6.200 3.099 1.00 10.00 H new ATOM 0 HG23 THR A 15 -11.046 -4.801 3.893 1.00 10.00 H new ATOM 240 N LEU A 16 -7.195 -7.821 4.789 1.00 10.00 N ATOM 241 CA LEU A 16 -6.140 -8.819 4.966 1.00 10.00 C ATOM 242 C LEU A 16 -6.635 -9.926 5.900 1.00 10.00 C ATOM 243 O LEU A 16 -6.664 -11.093 5.516 1.00 10.00 O ATOM 244 CB LEU A 16 -4.858 -8.137 5.482 1.00 10.00 C ATOM 245 CG LEU A 16 -3.581 -8.985 5.343 1.00 10.00 C ATOM 246 CD1 LEU A 16 -2.362 -8.062 5.464 1.00 10.00 C ATOM 247 CD2 LEU A 16 -3.465 -10.079 6.413 1.00 10.00 C ATOM 0 H LEU A 16 -6.946 -6.903 5.157 1.00 10.00 H new ATOM 0 HA LEU A 16 -5.894 -9.284 4.011 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -4.717 -7.201 4.942 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -4.996 -7.881 6.533 1.00 10.00 H new ATOM 0 HG LEU A 16 -3.627 -9.478 4.372 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.449 -8.650 5.367 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -2.395 -7.311 4.675 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.374 -7.568 6.436 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -2.544 -10.641 6.260 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -3.450 -9.621 7.402 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -4.318 -10.753 6.338 1.00 10.00 H new ATOM 259 N ARG A 17 -7.067 -9.553 7.110 1.00 10.00 N ATOM 260 CA ARG A 17 -7.698 -10.458 8.073 1.00 10.00 C ATOM 261 C ARG A 17 -8.812 -11.295 7.422 1.00 10.00 C ATOM 262 O ARG A 17 -8.847 -12.512 7.593 1.00 10.00 O ATOM 263 CB ARG A 17 -8.168 -9.621 9.273 1.00 10.00 C ATOM 264 CG ARG A 17 -8.976 -10.377 10.341 1.00 10.00 C ATOM 265 CD ARG A 17 -10.491 -10.385 10.081 1.00 10.00 C ATOM 266 NE ARG A 17 -10.947 -11.656 9.497 1.00 10.00 N ATOM 267 CZ ARG A 17 -12.214 -11.955 9.191 1.00 10.00 C ATOM 268 NH1 ARG A 17 -13.183 -11.054 9.316 1.00 10.00 N ATOM 269 NH2 ARG A 17 -12.506 -13.174 8.756 1.00 10.00 N ATOM 0 H ARG A 17 -6.986 -8.596 7.452 1.00 10.00 H new ATOM 0 HA ARG A 17 -6.982 -11.197 8.432 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -7.292 -9.181 9.751 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -8.776 -8.796 8.901 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -8.620 -11.406 10.392 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -8.786 -9.925 11.315 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -11.020 -10.207 11.017 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -10.747 -9.566 9.409 1.00 10.00 H new ATOM 0 HE ARG A 17 -10.239 -12.367 9.310 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -12.966 -10.115 9.650 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -14.143 -11.301 9.077 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -11.768 -13.871 8.658 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -13.469 -13.414 8.519 1.00 10.00 H new ATOM 283 N LYS A 18 -9.687 -10.653 6.642 1.00 10.00 N ATOM 284 CA LYS A 18 -10.719 -11.330 5.860 1.00 10.00 C ATOM 285 C LYS A 18 -10.129 -12.332 4.853 1.00 10.00 C ATOM 286 O LYS A 18 -10.421 -13.523 4.919 1.00 10.00 O ATOM 287 CB LYS A 18 -11.596 -10.273 5.177 1.00 10.00 C ATOM 288 CG LYS A 18 -12.808 -10.897 4.479 1.00 10.00 C ATOM 289 CD LYS A 18 -13.645 -9.853 3.723 1.00 10.00 C ATOM 290 CE LYS A 18 -14.192 -8.733 4.619 1.00 10.00 C ATOM 291 NZ LYS A 18 -14.977 -9.271 5.745 1.00 10.00 N ATOM 0 H LYS A 18 -9.697 -9.639 6.537 1.00 10.00 H new ATOM 0 HA LYS A 18 -11.336 -11.926 6.532 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -11.937 -9.551 5.919 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -11.000 -9.724 4.448 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -12.469 -11.662 3.781 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -13.434 -11.395 5.219 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -13.034 -9.411 2.936 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -14.480 -10.355 3.234 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -13.364 -8.138 5.004 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -14.817 -8.065 4.026 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -15.401 -8.486 6.279 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -15.731 -9.887 5.380 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -14.354 -9.820 6.371 1.00 10.00 H new ATOM 305 N CYS A 19 -9.301 -11.863 3.914 1.00 10.00 N ATOM 306 CA CYS A 19 -8.708 -12.693 2.863 1.00 10.00 C ATOM 307 C CYS A 19 -7.944 -13.899 3.430 1.00 10.00 C ATOM 308 O CYS A 19 -8.078 -15.022 2.948 1.00 10.00 O ATOM 309 CB CYS A 19 -7.797 -11.827 1.988 1.00 10.00 C ATOM 310 SG CYS A 19 -7.065 -12.694 0.576 1.00 10.00 S ATOM 0 H CYS A 19 -9.021 -10.884 3.863 1.00 10.00 H new ATOM 0 HA CYS A 19 -9.517 -13.101 2.257 1.00 10.00 H new ATOM 0 HB2 CYS A 19 -8.371 -10.977 1.618 1.00 10.00 H new ATOM 0 HB3 CYS A 19 -6.995 -11.425 2.607 1.00 10.00 H new ATOM 0 HG CYS A 19 -6.316 -11.872 -0.097 1.00 10.00 H new ATOM 315 N LYS A 20 -7.172 -13.663 4.493 1.00 10.00 N ATOM 316 CA LYS A 20 -6.418 -14.673 5.229 1.00 10.00 C ATOM 317 C LYS A 20 -7.306 -15.520 6.167 1.00 10.00 C ATOM 318 O LYS A 20 -6.794 -16.361 6.902 1.00 10.00 O ATOM 319 CB LYS A 20 -5.304 -13.928 5.984 1.00 10.00 C ATOM 320 CG LYS A 20 -4.210 -14.830 6.572 1.00 10.00 C ATOM 321 CD LYS A 20 -3.105 -13.955 7.179 1.00 10.00 C ATOM 322 CE LYS A 20 -2.073 -14.797 7.936 1.00 10.00 C ATOM 323 NZ LYS A 20 -1.360 -15.724 7.041 1.00 10.00 N ATOM 0 H LYS A 20 -7.052 -12.726 4.877 1.00 10.00 H new ATOM 0 HA LYS A 20 -5.992 -15.402 4.540 1.00 10.00 H new ATOM 0 HB2 LYS A 20 -4.840 -13.213 5.305 1.00 10.00 H new ATOM 0 HB3 LYS A 20 -5.755 -13.353 6.793 1.00 10.00 H new ATOM 0 HG2 LYS A 20 -4.633 -15.484 7.335 1.00 10.00 H new ATOM 0 HG3 LYS A 20 -3.796 -15.473 5.795 1.00 10.00 H new ATOM 0 HD2 LYS A 20 -2.608 -13.394 6.388 1.00 10.00 H new ATOM 0 HD3 LYS A 20 -3.548 -13.226 7.857 1.00 10.00 H new ATOM 0 HE2 LYS A 20 -1.355 -14.139 8.424 1.00 10.00 H new ATOM 0 HE3 LYS A 20 -2.572 -15.363 8.722 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 -0.636 -16.239 7.581 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 -2.036 -16.402 6.633 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 -0.904 -15.187 6.276 1.00 10.00 H new ATOM 337 N ILE A 21 -8.630 -15.312 6.177 1.00 10.00 N ATOM 338 CA ILE A 21 -9.599 -15.945 7.076 1.00 10.00 C ATOM 339 C ILE A 21 -9.480 -15.415 8.513 1.00 10.00 C ATOM 340 O ILE A 21 -10.471 -14.963 9.084 1.00 10.00 O ATOM 341 CB ILE A 21 -9.566 -17.490 7.005 1.00 10.00 C ATOM 342 CG1 ILE A 21 -9.515 -18.040 5.566 1.00 10.00 C ATOM 343 CG2 ILE A 21 -10.774 -18.076 7.751 1.00 10.00 C ATOM 344 CD1 ILE A 21 -10.658 -17.564 4.666 1.00 10.00 C ATOM 0 H ILE A 21 -9.074 -14.665 5.525 1.00 10.00 H new ATOM 0 HA ILE A 21 -10.587 -15.657 6.717 1.00 10.00 H new ATOM 0 HB ILE A 21 -8.639 -17.802 7.486 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -8.567 -17.750 5.113 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -9.530 -19.129 5.606 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -10.743 -19.164 7.696 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -10.743 -17.764 8.795 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -11.695 -17.716 7.292 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -10.544 -17.998 3.673 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -11.611 -17.877 5.092 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -10.634 -16.477 4.591 1.00 10.00 H new ATOM 356 N ILE A 22 -8.277 -15.462 9.095 1.00 10.00 N ATOM 357 CA ILE A 22 -7.945 -14.856 10.387 1.00 10.00 C ATOM 358 C ILE A 22 -6.726 -13.927 10.286 1.00 10.00 C ATOM 359 O ILE A 22 -6.646 -13.002 11.123 1.00 10.00 O ATOM 360 CB ILE A 22 -7.771 -15.924 11.487 1.00 10.00 C ATOM 361 CG1 ILE A 22 -6.455 -16.727 11.445 1.00 10.00 C ATOM 362 CG2 ILE A 22 -8.992 -16.852 11.566 1.00 10.00 C ATOM 363 CD1 ILE A 22 -6.191 -17.519 10.161 1.00 10.00 C ATOM 364 OXT ILE A 22 -5.887 -14.159 9.387 1.00 10.00 O ATOM 0 H ILE A 22 -7.483 -15.938 8.666 1.00 10.00 H new ATOM 0 HA ILE A 22 -8.790 -14.233 10.679 1.00 10.00 H new ATOM 0 HB ILE A 22 -7.698 -15.345 12.408 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -5.626 -16.036 11.599 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -6.450 -17.422 12.284 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -8.836 -17.592 12.351 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -9.882 -16.264 11.793 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -9.126 -17.359 10.610 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -5.239 -18.043 10.246 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -6.991 -18.243 10.009 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -6.155 -16.835 9.313 1.00 10.00 H new ATOM 465 N ILE B 7 2.623 9.019 -3.895 1.00 10.00 N ATOM 466 CA ILE B 7 1.751 8.404 -4.900 1.00 10.00 C ATOM 467 C ILE B 7 2.041 6.907 -5.078 1.00 10.00 C ATOM 468 O ILE B 7 1.105 6.116 -5.147 1.00 10.00 O ATOM 469 CB ILE B 7 1.721 9.176 -6.232 1.00 10.00 C ATOM 470 CG1 ILE B 7 3.050 9.078 -6.999 1.00 10.00 C ATOM 471 CG2 ILE B 7 1.273 10.625 -5.991 1.00 10.00 C ATOM 472 CD1 ILE B 7 3.075 9.923 -8.276 1.00 10.00 C ATOM 0 HA ILE B 7 0.736 8.476 -4.508 1.00 10.00 H new ATOM 0 HB ILE B 7 0.984 8.705 -6.883 1.00 10.00 H new ATOM 0 HG12 ILE B 7 3.863 9.395 -6.346 1.00 10.00 H new ATOM 0 HG13 ILE B 7 3.237 8.036 -7.257 1.00 10.00 H new ATOM 0 HG21 ILE B 7 1.255 11.163 -6.939 1.00 10.00 H new ATOM 0 HG22 ILE B 7 0.275 10.629 -5.552 1.00 10.00 H new ATOM 0 HG23 ILE B 7 1.970 11.113 -5.310 1.00 10.00 H new ATOM 0 HD11 ILE B 7 4.040 9.809 -8.769 1.00 10.00 H new ATOM 0 HD12 ILE B 7 2.283 9.591 -8.947 1.00 10.00 H new ATOM 0 HD13 ILE B 7 2.919 10.971 -8.022 1.00 10.00 H new ATOM 484 N GLU B 8 3.314 6.497 -5.110 1.00 10.00 N ATOM 485 CA GLU B 8 3.686 5.085 -5.195 1.00 10.00 C ATOM 486 C GLU B 8 3.085 4.273 -4.035 1.00 10.00 C ATOM 487 O GLU B 8 2.367 3.296 -4.253 1.00 10.00 O ATOM 488 CB GLU B 8 5.217 4.988 -5.246 1.00 10.00 C ATOM 489 CG GLU B 8 5.699 3.541 -5.425 1.00 10.00 C ATOM 490 CD GLU B 8 7.220 3.470 -5.529 1.00 10.00 C ATOM 491 OE1 GLU B 8 7.857 3.396 -4.457 1.00 10.00 O ATOM 492 OE2 GLU B 8 7.714 3.504 -6.676 1.00 10.00 O ATOM 0 H GLU B 8 4.110 7.134 -5.078 1.00 10.00 H new ATOM 0 HA GLU B 8 3.274 4.648 -6.105 1.00 10.00 H new ATOM 0 HB2 GLU B 8 5.591 5.598 -6.068 1.00 10.00 H new ATOM 0 HB3 GLU B 8 5.637 5.398 -4.327 1.00 10.00 H new ATOM 0 HG2 GLU B 8 5.362 2.937 -4.583 1.00 10.00 H new ATOM 0 HG3 GLU B 8 5.251 3.115 -6.323 1.00 10.00 H new ATOM 499 N ALA B 9 3.359 4.692 -2.796 1.00 10.00 N ATOM 500 CA ALA B 9 2.831 4.071 -1.588 1.00 10.00 C ATOM 501 C ALA B 9 1.299 4.012 -1.603 1.00 10.00 C ATOM 502 O ALA B 9 0.717 2.965 -1.329 1.00 10.00 O ATOM 503 CB ALA B 9 3.345 4.829 -0.360 1.00 10.00 C ATOM 0 H ALA B 9 3.967 5.489 -2.606 1.00 10.00 H new ATOM 0 HA ALA B 9 3.183 3.040 -1.545 1.00 10.00 H new ATOM 0 HB1 ALA B 9 2.951 4.366 0.545 1.00 10.00 H new ATOM 0 HB2 ALA B 9 4.434 4.794 -0.341 1.00 10.00 H new ATOM 0 HB3 ALA B 9 3.016 5.867 -0.409 1.00 10.00 H new ATOM 509 N ARG B 10 0.640 5.126 -1.939 1.00 10.00 N ATOM 510 CA ARG B 10 -0.816 5.200 -1.997 1.00 10.00 C ATOM 511 C ARG B 10 -1.405 4.273 -3.074 1.00 10.00 C ATOM 512 O ARG B 10 -2.339 3.521 -2.805 1.00 10.00 O ATOM 513 CB ARG B 10 -1.249 6.662 -2.172 1.00 10.00 C ATOM 514 CG ARG B 10 -2.713 6.843 -1.754 1.00 10.00 C ATOM 515 CD ARG B 10 -3.122 8.319 -1.825 1.00 10.00 C ATOM 516 NE ARG B 10 -4.378 8.543 -1.092 1.00 10.00 N ATOM 517 CZ ARG B 10 -4.489 8.631 0.239 1.00 10.00 C ATOM 518 NH1 ARG B 10 -3.425 8.561 1.030 1.00 10.00 N ATOM 519 NH2 ARG B 10 -5.680 8.824 0.794 1.00 10.00 N ATOM 0 H ARG B 10 1.106 6.001 -2.178 1.00 10.00 H new ATOM 0 HA ARG B 10 -1.222 4.835 -1.053 1.00 10.00 H new ATOM 0 HB2 ARG B 10 -0.611 7.311 -1.572 1.00 10.00 H new ATOM 0 HB3 ARG B 10 -1.122 6.963 -3.212 1.00 10.00 H new ATOM 0 HG2 ARG B 10 -3.357 6.251 -2.404 1.00 10.00 H new ATOM 0 HG3 ARG B 10 -2.855 6.470 -0.740 1.00 10.00 H new ATOM 0 HD2 ARG B 10 -2.333 8.942 -1.404 1.00 10.00 H new ATOM 0 HD3 ARG B 10 -3.243 8.619 -2.866 1.00 10.00 H new ATOM 0 HE ARG B 10 -5.232 8.639 -1.642 1.00 10.00 H new ATOM 0 HH11 ARG B 10 -2.497 8.437 0.626 1.00 10.00 H new ATOM 0 HH12 ARG B 10 -3.536 8.631 2.042 1.00 10.00 H new ATOM 0 HH21 ARG B 10 -6.510 8.905 0.206 1.00 10.00 H new ATOM 0 HH22 ARG B 10 -5.765 8.891 1.808 1.00 10.00 H new ATOM 533 N LYS B 11 -0.850 4.290 -4.288 1.00 10.00 N ATOM 534 CA LYS B 11 -1.247 3.374 -5.357 1.00 10.00 C ATOM 535 C LYS B 11 -1.050 1.909 -4.947 1.00 10.00 C ATOM 536 O LYS B 11 -1.933 1.078 -5.167 1.00 10.00 O ATOM 537 CB LYS B 11 -0.467 3.696 -6.638 1.00 10.00 C ATOM 538 CG LYS B 11 -0.963 4.998 -7.282 1.00 10.00 C ATOM 539 CD LYS B 11 -0.037 5.384 -8.443 1.00 10.00 C ATOM 540 CE LYS B 11 -0.484 6.688 -9.112 1.00 10.00 C ATOM 541 NZ LYS B 11 -1.778 6.535 -9.800 1.00 10.00 N ATOM 0 H LYS B 11 -0.112 4.941 -4.557 1.00 10.00 H new ATOM 0 HA LYS B 11 -2.311 3.513 -5.548 1.00 10.00 H new ATOM 0 HB2 LYS B 11 0.595 3.784 -6.407 1.00 10.00 H new ATOM 0 HB3 LYS B 11 -0.572 2.874 -7.346 1.00 10.00 H new ATOM 0 HG2 LYS B 11 -1.983 4.871 -7.644 1.00 10.00 H new ATOM 0 HG3 LYS B 11 -0.985 5.797 -6.541 1.00 10.00 H new ATOM 0 HD2 LYS B 11 0.983 5.495 -8.074 1.00 10.00 H new ATOM 0 HD3 LYS B 11 -0.024 4.582 -9.181 1.00 10.00 H new ATOM 0 HE2 LYS B 11 -0.563 7.474 -8.360 1.00 10.00 H new ATOM 0 HE3 LYS B 11 0.273 7.007 -9.828 1.00 10.00 H new ATOM 0 HZ1 LYS B 11 -1.981 7.393 -10.352 1.00 10.00 H new ATOM 0 HZ2 LYS B 11 -1.737 5.715 -10.438 1.00 10.00 H new ATOM 0 HZ3 LYS B 11 -2.530 6.389 -9.097 1.00 10.00 H new ATOM 555 N TYR B 12 0.104 1.564 -4.369 1.00 10.00 N ATOM 556 CA TYR B 12 0.358 0.217 -3.862 1.00 10.00 C ATOM 557 C TYR B 12 -0.667 -0.182 -2.785 1.00 10.00 C ATOM 558 O TYR B 12 -1.319 -1.219 -2.905 1.00 10.00 O ATOM 559 CB TYR B 12 1.800 0.125 -3.351 1.00 10.00 C ATOM 560 CG TYR B 12 2.164 -1.244 -2.807 1.00 10.00 C ATOM 561 CD1 TYR B 12 2.623 -2.256 -3.671 1.00 10.00 C ATOM 562 CD2 TYR B 12 1.952 -1.532 -1.446 1.00 10.00 C ATOM 563 CE1 TYR B 12 2.889 -3.543 -3.169 1.00 10.00 C ATOM 564 CE2 TYR B 12 2.205 -2.820 -0.951 1.00 10.00 C ATOM 565 CZ TYR B 12 2.684 -3.821 -1.809 1.00 10.00 C ATOM 566 OH TYR B 12 2.921 -5.072 -1.324 1.00 10.00 O ATOM 0 H TYR B 12 0.884 2.209 -4.241 1.00 10.00 H new ATOM 0 HA TYR B 12 0.238 -0.498 -4.676 1.00 10.00 H new ATOM 0 HB2 TYR B 12 2.482 0.377 -4.163 1.00 10.00 H new ATOM 0 HB3 TYR B 12 1.948 0.869 -2.568 1.00 10.00 H new ATOM 0 HD1 TYR B 12 2.771 -2.044 -4.720 1.00 10.00 H new ATOM 0 HD2 TYR B 12 1.594 -0.760 -0.781 1.00 10.00 H new ATOM 0 HE1 TYR B 12 3.251 -4.317 -3.830 1.00 10.00 H new ATOM 0 HE2 TYR B 12 2.031 -3.041 0.092 1.00 10.00 H new ATOM 0 HH TYR B 12 2.730 -5.092 -0.363 1.00 10.00 H new ATOM 576 N LEU B 13 -0.828 0.658 -1.755 1.00 10.00 N ATOM 577 CA LEU B 13 -1.841 0.521 -0.707 1.00 10.00 C ATOM 578 C LEU B 13 -3.220 0.222 -1.306 1.00 10.00 C ATOM 579 O LEU B 13 -3.814 -0.813 -1.010 1.00 10.00 O ATOM 580 CB LEU B 13 -1.850 1.804 0.147 1.00 10.00 C ATOM 581 CG LEU B 13 -3.016 1.929 1.141 1.00 10.00 C ATOM 582 CD1 LEU B 13 -3.041 0.769 2.138 1.00 10.00 C ATOM 583 CD2 LEU B 13 -2.888 3.249 1.908 1.00 10.00 C ATOM 0 H LEU B 13 -0.236 1.478 -1.626 1.00 10.00 H new ATOM 0 HA LEU B 13 -1.594 -0.326 -0.067 1.00 10.00 H new ATOM 0 HB2 LEU B 13 -0.914 1.856 0.703 1.00 10.00 H new ATOM 0 HB3 LEU B 13 -1.872 2.665 -0.522 1.00 10.00 H new ATOM 0 HG LEU B 13 -3.945 1.904 0.572 1.00 10.00 H new ATOM 0 HD11 LEU B 13 -3.880 0.896 2.822 1.00 10.00 H new ATOM 0 HD12 LEU B 13 -3.151 -0.172 1.599 1.00 10.00 H new ATOM 0 HD13 LEU B 13 -2.110 0.756 2.704 1.00 10.00 H new ATOM 0 HD21 LEU B 13 -3.713 3.341 2.614 1.00 10.00 H new ATOM 0 HD22 LEU B 13 -1.943 3.264 2.451 1.00 10.00 H new ATOM 0 HD23 LEU B 13 -2.917 4.082 1.206 1.00 10.00 H new ATOM 595 N GLU B 14 -3.718 1.116 -2.167 1.00 10.00 N ATOM 596 CA GLU B 14 -5.004 0.957 -2.831 1.00 10.00 C ATOM 597 C GLU B 14 -5.091 -0.364 -3.610 1.00 10.00 C ATOM 598 O GLU B 14 -5.990 -1.158 -3.358 1.00 10.00 O ATOM 599 CB GLU B 14 -5.280 2.174 -3.725 1.00 10.00 C ATOM 600 CG GLU B 14 -5.626 3.428 -2.903 1.00 10.00 C ATOM 601 CD GLU B 14 -6.935 3.287 -2.129 1.00 10.00 C ATOM 602 OE1 GLU B 14 -7.990 3.260 -2.801 1.00 10.00 O ATOM 603 OE2 GLU B 14 -6.856 3.203 -0.884 1.00 10.00 O ATOM 0 H GLU B 14 -3.231 1.976 -2.421 1.00 10.00 H new ATOM 0 HA GLU B 14 -5.782 0.906 -2.069 1.00 10.00 H new ATOM 0 HB2 GLU B 14 -4.405 2.376 -4.343 1.00 10.00 H new ATOM 0 HB3 GLU B 14 -6.103 1.947 -4.403 1.00 10.00 H new ATOM 0 HG2 GLU B 14 -4.816 3.633 -2.203 1.00 10.00 H new ATOM 0 HG3 GLU B 14 -5.695 4.287 -3.571 1.00 10.00 H new ATOM 610 N GLN B 15 -4.169 -0.633 -4.538 1.00 10.00 N ATOM 611 CA GLN B 15 -4.188 -1.877 -5.311 1.00 10.00 C ATOM 612 C GLN B 15 -4.203 -3.125 -4.414 1.00 10.00 C ATOM 613 O GLN B 15 -5.014 -4.033 -4.610 1.00 10.00 O ATOM 614 CB GLN B 15 -2.995 -1.900 -6.270 1.00 10.00 C ATOM 615 CG GLN B 15 -3.195 -0.904 -7.422 1.00 10.00 C ATOM 616 CD GLN B 15 -1.909 -0.699 -8.209 1.00 10.00 C ATOM 617 OE1 GLN B 15 -1.786 -1.104 -9.358 1.00 10.00 O ATOM 618 NE2 GLN B 15 -0.932 -0.061 -7.588 1.00 10.00 N ATOM 0 H GLN B 15 -3.400 -0.005 -4.772 1.00 10.00 H new ATOM 0 HA GLN B 15 -5.114 -1.903 -5.885 1.00 10.00 H new ATOM 0 HB2 GLN B 15 -2.082 -1.655 -5.727 1.00 10.00 H new ATOM 0 HB3 GLN B 15 -2.866 -2.905 -6.672 1.00 10.00 H new ATOM 0 HG2 GLN B 15 -3.977 -1.268 -8.088 1.00 10.00 H new ATOM 0 HG3 GLN B 15 -3.536 0.052 -7.024 1.00 10.00 H new ATOM 0 HE21 GLN B 15 -1.063 0.265 -6.630 1.00 10.00 H new ATOM 0 HE22 GLN B 15 -0.047 0.105 -8.066 1.00 10.00 H new ATOM 627 N LEU B 16 -3.304 -3.187 -3.427 1.00 10.00 N ATOM 628 CA LEU B 16 -3.232 -4.310 -2.498 1.00 10.00 C ATOM 629 C LEU B 16 -4.540 -4.461 -1.705 1.00 10.00 C ATOM 630 O LEU B 16 -5.148 -5.532 -1.704 1.00 10.00 O ATOM 631 CB LEU B 16 -1.995 -4.148 -1.604 1.00 10.00 C ATOM 632 CG LEU B 16 -1.754 -5.333 -0.654 1.00 10.00 C ATOM 633 CD1 LEU B 16 -1.606 -6.666 -1.399 1.00 10.00 C ATOM 634 CD2 LEU B 16 -0.464 -5.087 0.134 1.00 10.00 C ATOM 0 H LEU B 16 -2.609 -2.461 -3.253 1.00 10.00 H new ATOM 0 HA LEU B 16 -3.119 -5.242 -3.052 1.00 10.00 H new ATOM 0 HB2 LEU B 16 -1.117 -4.017 -2.236 1.00 10.00 H new ATOM 0 HB3 LEU B 16 -2.102 -3.238 -1.014 1.00 10.00 H new ATOM 0 HG LEU B 16 -2.623 -5.402 0.000 1.00 10.00 H new ATOM 0 HD11 LEU B 16 -1.438 -7.468 -0.680 1.00 10.00 H new ATOM 0 HD12 LEU B 16 -2.516 -6.870 -1.964 1.00 10.00 H new ATOM 0 HD13 LEU B 16 -0.759 -6.608 -2.083 1.00 10.00 H new ATOM 0 HD21 LEU B 16 -0.286 -5.923 0.810 1.00 10.00 H new ATOM 0 HD22 LEU B 16 0.373 -4.995 -0.558 1.00 10.00 H new ATOM 0 HD23 LEU B 16 -0.560 -4.167 0.711 1.00 10.00 H new ATOM 646 N HIS B 17 -5.011 -3.379 -1.076 1.00 10.00 N ATOM 647 CA HIS B 17 -6.304 -3.350 -0.400 1.00 10.00 C ATOM 648 C HIS B 17 -7.441 -3.839 -1.308 1.00 10.00 C ATOM 649 O HIS B 17 -8.240 -4.668 -0.894 1.00 10.00 O ATOM 650 CB HIS B 17 -6.589 -1.936 0.116 1.00 10.00 C ATOM 651 CG HIS B 17 -7.962 -1.786 0.723 1.00 10.00 C ATOM 652 ND1 HIS B 17 -8.662 -2.743 1.428 1.00 10.00 N ATOM 653 CD2 HIS B 17 -8.793 -0.710 0.547 1.00 10.00 C ATOM 654 CE1 HIS B 17 -9.881 -2.239 1.677 1.00 10.00 C ATOM 655 NE2 HIS B 17 -10.014 -1.009 1.156 1.00 10.00 N ATOM 0 H HIS B 17 -4.501 -2.497 -1.024 1.00 10.00 H new ATOM 0 HA HIS B 17 -6.256 -4.038 0.444 1.00 10.00 H new ATOM 0 HB2 HIS B 17 -5.839 -1.671 0.861 1.00 10.00 H new ATOM 0 HB3 HIS B 17 -6.484 -1.229 -0.707 1.00 10.00 H new ATOM 0 HD1 HIS B 17 -8.318 -3.662 1.708 1.00 10.00 H new ATOM 0 HD2 HIS B 17 -8.547 0.206 0.030 1.00 10.00 H new ATOM 0 HE1 HIS B 17 -10.654 -2.756 2.225 1.00 10.00 H new ATOM 663 N ARG B 18 -7.523 -3.338 -2.542 1.00 10.00 N ATOM 664 CA ARG B 18 -8.541 -3.737 -3.511 1.00 10.00 C ATOM 665 C ARG B 18 -8.490 -5.242 -3.812 1.00 10.00 C ATOM 666 O ARG B 18 -9.527 -5.901 -3.795 1.00 10.00 O ATOM 667 CB ARG B 18 -8.420 -2.882 -4.779 1.00 10.00 C ATOM 668 CG ARG B 18 -8.867 -1.438 -4.499 1.00 10.00 C ATOM 669 CD ARG B 18 -8.467 -0.511 -5.649 1.00 10.00 C ATOM 670 NE ARG B 18 -8.599 0.897 -5.245 1.00 10.00 N ATOM 671 CZ ARG B 18 -8.494 1.956 -6.053 1.00 10.00 C ATOM 672 NH1 ARG B 18 -8.336 1.806 -7.366 1.00 10.00 N ATOM 673 NH2 ARG B 18 -8.537 3.179 -5.533 1.00 10.00 N ATOM 0 H ARG B 18 -6.876 -2.635 -2.899 1.00 10.00 H new ATOM 0 HA ARG B 18 -9.523 -3.555 -3.075 1.00 10.00 H new ATOM 0 HB2 ARG B 18 -7.389 -2.888 -5.132 1.00 10.00 H new ATOM 0 HB3 ARG B 18 -9.031 -3.311 -5.573 1.00 10.00 H new ATOM 0 HG2 ARG B 18 -9.948 -1.408 -4.361 1.00 10.00 H new ATOM 0 HG3 ARG B 18 -8.417 -1.087 -3.570 1.00 10.00 H new ATOM 0 HD2 ARG B 18 -7.439 -0.715 -5.948 1.00 10.00 H new ATOM 0 HD3 ARG B 18 -9.096 -0.707 -6.517 1.00 10.00 H new ATOM 0 HE ARG B 18 -8.788 1.082 -4.260 1.00 10.00 H new ATOM 0 HH11 ARG B 18 -8.293 0.871 -7.771 1.00 10.00 H new ATOM 0 HH12 ARG B 18 -8.258 2.626 -7.967 1.00 10.00 H new ATOM 0 HH21 ARG B 18 -8.649 3.302 -4.527 1.00 10.00 H new ATOM 0 HH22 ARG B 18 -8.458 3.995 -6.140 1.00 10.00 H new ATOM 687 N LYS B 19 -7.302 -5.814 -4.042 1.00 10.00 N ATOM 688 CA LYS B 19 -7.168 -7.268 -4.173 1.00 10.00 C ATOM 689 C LYS B 19 -7.659 -8.008 -2.913 1.00 10.00 C ATOM 690 O LYS B 19 -8.502 -8.900 -2.999 1.00 10.00 O ATOM 691 CB LYS B 19 -5.722 -7.642 -4.526 1.00 10.00 C ATOM 692 CG LYS B 19 -5.391 -7.242 -5.971 1.00 10.00 C ATOM 693 CD LYS B 19 -4.023 -7.776 -6.422 1.00 10.00 C ATOM 694 CE LYS B 19 -2.843 -7.177 -5.647 1.00 10.00 C ATOM 695 NZ LYS B 19 -2.787 -5.713 -5.800 1.00 10.00 N ATOM 0 H LYS B 19 -6.428 -5.297 -4.140 1.00 10.00 H new ATOM 0 HA LYS B 19 -7.811 -7.592 -4.991 1.00 10.00 H new ATOM 0 HB2 LYS B 19 -5.036 -7.145 -3.840 1.00 10.00 H new ATOM 0 HB3 LYS B 19 -5.578 -8.715 -4.399 1.00 10.00 H new ATOM 0 HG2 LYS B 19 -6.165 -7.622 -6.638 1.00 10.00 H new ATOM 0 HG3 LYS B 19 -5.401 -6.155 -6.057 1.00 10.00 H new ATOM 0 HD2 LYS B 19 -4.010 -8.860 -6.307 1.00 10.00 H new ATOM 0 HD3 LYS B 19 -3.893 -7.567 -7.484 1.00 10.00 H new ATOM 0 HE2 LYS B 19 -2.933 -7.431 -4.591 1.00 10.00 H new ATOM 0 HE3 LYS B 19 -1.911 -7.617 -6.002 1.00 10.00 H new ATOM 0 HZ1 LYS B 19 -1.914 -5.352 -5.365 1.00 10.00 H new ATOM 0 HZ2 LYS B 19 -2.796 -5.469 -6.811 1.00 10.00 H new ATOM 0 HZ3 LYS B 19 -3.611 -5.283 -5.333 1.00 10.00 H new ATOM 709 N LEU B 20 -7.173 -7.617 -1.733 1.00 10.00 N ATOM 710 CA LEU B 20 -7.630 -8.171 -0.453 1.00 10.00 C ATOM 711 C LEU B 20 -9.154 -8.036 -0.254 1.00 10.00 C ATOM 712 O LEU B 20 -9.797 -8.926 0.290 1.00 10.00 O ATOM 713 CB LEU B 20 -6.852 -7.496 0.683 1.00 10.00 C ATOM 714 CG LEU B 20 -5.530 -8.194 1.043 1.00 10.00 C ATOM 715 CD1 LEU B 20 -4.667 -8.599 -0.158 1.00 10.00 C ATOM 716 CD2 LEU B 20 -4.727 -7.244 1.936 1.00 10.00 C ATOM 0 H LEU B 20 -6.449 -6.905 -1.636 1.00 10.00 H new ATOM 0 HA LEU B 20 -7.430 -9.242 -0.450 1.00 10.00 H new ATOM 0 HB2 LEU B 20 -6.640 -6.465 0.401 1.00 10.00 H new ATOM 0 HB3 LEU B 20 -7.484 -7.460 1.570 1.00 10.00 H new ATOM 0 HG LEU B 20 -5.792 -9.127 1.543 1.00 10.00 H new ATOM 0 HD11 LEU B 20 -3.757 -9.083 0.195 1.00 10.00 H new ATOM 0 HD12 LEU B 20 -5.224 -9.291 -0.790 1.00 10.00 H new ATOM 0 HD13 LEU B 20 -4.406 -7.711 -0.734 1.00 10.00 H new ATOM 0 HD21 LEU B 20 -3.781 -7.713 2.208 1.00 10.00 H new ATOM 0 HD22 LEU B 20 -4.530 -6.317 1.397 1.00 10.00 H new ATOM 0 HD23 LEU B 20 -5.297 -7.025 2.839 1.00 10.00 H new ATOM 728 N LYS B 21 -9.745 -6.927 -0.695 1.00 10.00 N ATOM 729 CA LYS B 21 -11.181 -6.673 -0.639 1.00 10.00 C ATOM 730 C LYS B 21 -11.953 -7.563 -1.626 1.00 10.00 C ATOM 731 O LYS B 21 -12.994 -8.115 -1.281 1.00 10.00 O ATOM 732 CB LYS B 21 -11.405 -5.177 -0.885 1.00 10.00 C ATOM 733 CG LYS B 21 -12.864 -4.738 -0.708 1.00 10.00 C ATOM 734 CD LYS B 21 -12.948 -3.248 -0.341 1.00 10.00 C ATOM 735 CE LYS B 21 -12.250 -2.342 -1.364 1.00 10.00 C ATOM 736 NZ LYS B 21 -12.236 -0.941 -0.906 1.00 10.00 N ATOM 0 H LYS B 21 -9.221 -6.158 -1.113 1.00 10.00 H new ATOM 0 HA LYS B 21 -11.573 -6.934 0.344 1.00 10.00 H new ATOM 0 HB2 LYS B 21 -10.777 -4.607 -0.201 1.00 10.00 H new ATOM 0 HB3 LYS B 21 -11.080 -4.931 -1.896 1.00 10.00 H new ATOM 0 HG2 LYS B 21 -13.417 -4.921 -1.629 1.00 10.00 H new ATOM 0 HG3 LYS B 21 -13.336 -5.336 0.072 1.00 10.00 H new ATOM 0 HD2 LYS B 21 -13.995 -2.957 -0.260 1.00 10.00 H new ATOM 0 HD3 LYS B 21 -12.498 -3.094 0.640 1.00 10.00 H new ATOM 0 HE2 LYS B 21 -11.228 -2.687 -1.523 1.00 10.00 H new ATOM 0 HE3 LYS B 21 -12.762 -2.409 -2.324 1.00 10.00 H new ATOM 0 HZ1 LYS B 21 -12.030 -0.315 -1.710 1.00 10.00 H new ATOM 0 HZ2 LYS B 21 -13.165 -0.697 -0.506 1.00 10.00 H new ATOM 0 HZ3 LYS B 21 -11.503 -0.821 -0.178 1.00 10.00 H new ATOM 750 N ASN B 22 -11.431 -7.723 -2.847 1.00 10.00 N ATOM 751 CA ASN B 22 -11.948 -8.664 -3.840 1.00 10.00 C ATOM 752 C ASN B 22 -11.884 -10.116 -3.337 1.00 10.00 C ATOM 753 O ASN B 22 -12.807 -10.892 -3.574 1.00 10.00 O ATOM 754 CB ASN B 22 -11.179 -8.479 -5.155 1.00 10.00 C ATOM 755 CG ASN B 22 -11.687 -9.408 -6.250 1.00 10.00 C ATOM 756 OD1 ASN B 22 -11.009 -10.343 -6.651 1.00 10.00 O ATOM 757 ND2 ASN B 22 -12.888 -9.165 -6.756 1.00 10.00 N ATOM 0 H ASN B 22 -10.624 -7.192 -3.176 1.00 10.00 H new ATOM 0 HA ASN B 22 -13.003 -8.452 -4.015 1.00 10.00 H new ATOM 0 HB2 ASN B 22 -11.271 -7.445 -5.486 1.00 10.00 H new ATOM 0 HB3 ASN B 22 -10.119 -8.666 -4.984 1.00 10.00 H new ATOM 0 HD21 ASN B 22 -13.261 -9.763 -7.493 1.00 10.00 H new ATOM 0 HD22 ASN B 22 -13.439 -8.380 -6.408 1.00 10.00 H new ATOM 914 N PRO C 7 6.139 6.260 5.161 1.00 10.00 N ATOM 915 CA PRO C 7 7.089 5.169 4.941 1.00 10.00 C ATOM 916 C PRO C 7 6.932 4.010 5.937 1.00 10.00 C ATOM 917 O PRO C 7 7.142 2.850 5.590 1.00 10.00 O ATOM 918 CB PRO C 7 8.475 5.813 5.045 1.00 10.00 C ATOM 919 CG PRO C 7 8.217 7.246 4.584 1.00 10.00 C ATOM 920 CD PRO C 7 6.829 7.540 5.150 1.00 10.00 C ATOM 0 HA PRO C 7 6.917 4.707 3.969 1.00 10.00 H new ATOM 0 HB2 PRO C 7 8.861 5.779 6.064 1.00 10.00 H new ATOM 0 HB3 PRO C 7 9.204 5.309 4.411 1.00 10.00 H new ATOM 0 HG2 PRO C 7 8.966 7.936 4.971 1.00 10.00 H new ATOM 0 HG3 PRO C 7 8.237 7.331 3.497 1.00 10.00 H new ATOM 0 HD2 PRO C 7 6.895 7.960 6.154 1.00 10.00 H new ATOM 0 HD3 PRO C 7 6.299 8.267 4.534 1.00 10.00 H new ATOM 928 N GLY C 8 6.519 4.315 7.174 1.00 10.00 N ATOM 929 CA GLY C 8 6.106 3.329 8.170 1.00 10.00 C ATOM 930 C GLY C 8 5.182 2.234 7.614 1.00 10.00 C ATOM 931 O GLY C 8 5.338 1.068 7.966 1.00 10.00 O ATOM 0 H GLY C 8 6.463 5.275 7.513 1.00 10.00 H new ATOM 0 HA2 GLY C 8 6.994 2.861 8.594 1.00 10.00 H new ATOM 0 HA3 GLY C 8 5.596 3.842 8.985 1.00 10.00 H new ATOM 935 N PHE C 9 4.240 2.580 6.729 1.00 10.00 N ATOM 936 CA PHE C 9 3.411 1.591 6.041 1.00 10.00 C ATOM 937 C PHE C 9 4.248 0.674 5.136 1.00 10.00 C ATOM 938 O PHE C 9 4.108 -0.545 5.185 1.00 10.00 O ATOM 939 CB PHE C 9 2.301 2.289 5.246 1.00 10.00 C ATOM 940 CG PHE C 9 1.532 1.347 4.338 1.00 10.00 C ATOM 941 CD1 PHE C 9 0.872 0.232 4.885 1.00 10.00 C ATOM 942 CD2 PHE C 9 1.648 1.470 2.940 1.00 10.00 C ATOM 943 CE1 PHE C 9 0.323 -0.751 4.042 1.00 10.00 C ATOM 944 CE2 PHE C 9 1.090 0.494 2.098 1.00 10.00 C ATOM 945 CZ PHE C 9 0.435 -0.621 2.647 1.00 10.00 C ATOM 0 H PHE C 9 4.034 3.546 6.473 1.00 10.00 H new ATOM 0 HA PHE C 9 2.950 0.956 6.798 1.00 10.00 H new ATOM 0 HB2 PHE C 9 1.607 2.760 5.941 1.00 10.00 H new ATOM 0 HB3 PHE C 9 2.740 3.085 4.645 1.00 10.00 H new ATOM 0 HD1 PHE C 9 0.786 0.130 5.957 1.00 10.00 H new ATOM 0 HD2 PHE C 9 2.167 2.316 2.515 1.00 10.00 H new ATOM 0 HE1 PHE C 9 -0.184 -1.605 4.466 1.00 10.00 H new ATOM 0 HE2 PHE C 9 1.165 0.601 1.026 1.00 10.00 H new ATOM 0 HZ PHE C 9 0.018 -1.377 1.998 1.00 10.00 H new ATOM 955 N THR C 10 5.142 1.248 4.327 1.00 10.00 N ATOM 956 CA THR C 10 6.072 0.484 3.496 1.00 10.00 C ATOM 957 C THR C 10 6.907 -0.479 4.353 1.00 10.00 C ATOM 958 O THR C 10 7.010 -1.667 4.054 1.00 10.00 O ATOM 959 CB THR C 10 6.968 1.442 2.696 1.00 10.00 C ATOM 960 OG1 THR C 10 6.184 2.479 2.144 1.00 10.00 O ATOM 961 CG2 THR C 10 7.678 0.716 1.552 1.00 10.00 C ATOM 0 H THR C 10 5.240 2.259 4.231 1.00 10.00 H new ATOM 0 HA THR C 10 5.501 -0.120 2.791 1.00 10.00 H new ATOM 0 HB THR C 10 7.715 1.845 3.380 1.00 10.00 H new ATOM 0 HG1 THR C 10 6.759 3.089 1.636 1.00 10.00 H new ATOM 0 HG21 THR C 10 8.304 1.422 1.006 1.00 10.00 H new ATOM 0 HG22 THR C 10 8.300 -0.082 1.958 1.00 10.00 H new ATOM 0 HG23 THR C 10 6.937 0.290 0.876 1.00 10.00 H new ATOM 969 N ALA C 11 7.475 0.027 5.452 1.00 10.00 N ATOM 970 CA ALA C 11 8.220 -0.778 6.415 1.00 10.00 C ATOM 971 C ALA C 11 7.355 -1.894 7.029 1.00 10.00 C ATOM 972 O ALA C 11 7.766 -3.057 7.075 1.00 10.00 O ATOM 973 CB ALA C 11 8.813 0.150 7.478 1.00 10.00 C ATOM 0 H ALA C 11 7.428 1.016 5.697 1.00 10.00 H new ATOM 0 HA ALA C 11 9.032 -1.292 5.901 1.00 10.00 H new ATOM 0 HB1 ALA C 11 9.373 -0.439 8.204 1.00 10.00 H new ATOM 0 HB2 ALA C 11 9.480 0.869 7.002 1.00 10.00 H new ATOM 0 HB3 ALA C 11 8.009 0.683 7.986 1.00 10.00 H new ATOM 979 N LEU C 12 6.135 -1.561 7.469 1.00 10.00 N ATOM 980 CA LEU C 12 5.154 -2.537 7.932 1.00 10.00 C ATOM 981 C LEU C 12 4.938 -3.631 6.889 1.00 10.00 C ATOM 982 O LEU C 12 5.216 -4.791 7.165 1.00 10.00 O ATOM 983 CB LEU C 12 3.835 -1.853 8.323 1.00 10.00 C ATOM 984 CG LEU C 12 2.826 -2.825 8.969 1.00 10.00 C ATOM 985 CD1 LEU C 12 1.915 -2.037 9.910 1.00 10.00 C ATOM 986 CD2 LEU C 12 1.934 -3.548 7.948 1.00 10.00 C ATOM 0 H LEU C 12 5.803 -0.597 7.512 1.00 10.00 H new ATOM 0 HA LEU C 12 5.548 -3.015 8.829 1.00 10.00 H new ATOM 0 HB2 LEU C 12 4.045 -1.040 9.018 1.00 10.00 H new ATOM 0 HB3 LEU C 12 3.386 -1.407 7.436 1.00 10.00 H new ATOM 0 HG LEU C 12 3.411 -3.581 9.493 1.00 10.00 H new ATOM 0 HD11 LEU C 12 1.197 -2.714 10.373 1.00 10.00 H new ATOM 0 HD12 LEU C 12 2.516 -1.561 10.685 1.00 10.00 H new ATOM 0 HD13 LEU C 12 1.381 -1.273 9.345 1.00 10.00 H new ATOM 0 HD21 LEU C 12 1.249 -4.215 8.471 1.00 10.00 H new ATOM 0 HD22 LEU C 12 1.363 -2.814 7.380 1.00 10.00 H new ATOM 0 HD23 LEU C 12 2.557 -4.129 7.267 1.00 10.00 H new ATOM 998 N ILE C 13 4.454 -3.291 5.692 1.00 10.00 N ATOM 999 CA ILE C 13 4.116 -4.301 4.693 1.00 10.00 C ATOM 1000 C ILE C 13 5.345 -5.111 4.250 1.00 10.00 C ATOM 1001 O ILE C 13 5.251 -6.325 4.097 1.00 10.00 O ATOM 1002 CB ILE C 13 3.290 -3.696 3.540 1.00 10.00 C ATOM 1003 CG1 ILE C 13 2.439 -4.767 2.837 1.00 10.00 C ATOM 1004 CG2 ILE C 13 4.172 -2.981 2.512 1.00 10.00 C ATOM 1005 CD1 ILE C 13 1.173 -5.111 3.629 1.00 10.00 C ATOM 0 H ILE C 13 4.289 -2.329 5.394 1.00 10.00 H new ATOM 0 HA ILE C 13 3.461 -5.038 5.158 1.00 10.00 H new ATOM 0 HB ILE C 13 2.627 -2.958 3.992 1.00 10.00 H new ATOM 0 HG12 ILE C 13 2.160 -4.413 1.844 1.00 10.00 H new ATOM 0 HG13 ILE C 13 3.035 -5.669 2.698 1.00 10.00 H new ATOM 0 HG21 ILE C 13 3.547 -2.571 1.719 1.00 10.00 H new ATOM 0 HG22 ILE C 13 4.717 -2.172 3.000 1.00 10.00 H new ATOM 0 HG23 ILE C 13 4.881 -3.690 2.085 1.00 10.00 H new ATOM 0 HD11 ILE C 13 0.604 -5.871 3.094 1.00 10.00 H new ATOM 0 HD12 ILE C 13 1.451 -5.491 4.612 1.00 10.00 H new ATOM 0 HD13 ILE C 13 0.562 -4.216 3.745 1.00 10.00 H new ATOM 1017 N LYS C 14 6.517 -4.479 4.116 1.00 10.00 N ATOM 1018 CA LYS C 14 7.772 -5.195 3.889 1.00 10.00 C ATOM 1019 C LYS C 14 8.041 -6.231 4.994 1.00 10.00 C ATOM 1020 O LYS C 14 8.244 -7.412 4.713 1.00 10.00 O ATOM 1021 CB LYS C 14 8.918 -4.181 3.759 1.00 10.00 C ATOM 1022 CG LYS C 14 10.250 -4.864 3.423 1.00 10.00 C ATOM 1023 CD LYS C 14 11.339 -3.802 3.229 1.00 10.00 C ATOM 1024 CE LYS C 14 12.675 -4.472 2.895 1.00 10.00 C ATOM 1025 NZ LYS C 14 13.736 -3.468 2.701 1.00 10.00 N ATOM 0 H LYS C 14 6.619 -3.465 4.162 1.00 10.00 H new ATOM 0 HA LYS C 14 7.698 -5.757 2.958 1.00 10.00 H new ATOM 0 HB2 LYS C 14 8.675 -3.456 2.982 1.00 10.00 H new ATOM 0 HB3 LYS C 14 9.020 -3.626 4.692 1.00 10.00 H new ATOM 0 HG2 LYS C 14 10.532 -5.547 4.225 1.00 10.00 H new ATOM 0 HG3 LYS C 14 10.145 -5.462 2.517 1.00 10.00 H new ATOM 0 HD2 LYS C 14 11.055 -3.121 2.427 1.00 10.00 H new ATOM 0 HD3 LYS C 14 11.440 -3.204 4.135 1.00 10.00 H new ATOM 0 HE2 LYS C 14 12.956 -5.152 3.699 1.00 10.00 H new ATOM 0 HE3 LYS C 14 12.569 -5.073 1.992 1.00 10.00 H new ATOM 0 HZ1 LYS C 14 14.631 -3.948 2.476 1.00 10.00 H new ATOM 0 HZ2 LYS C 14 13.476 -2.835 1.918 1.00 10.00 H new ATOM 0 HZ3 LYS C 14 13.851 -2.912 3.572 1.00 10.00 H new ATOM 1039 N THR C 15 8.031 -5.805 6.261 1.00 10.00 N ATOM 1040 CA THR C 15 8.202 -6.731 7.387 1.00 10.00 C ATOM 1041 C THR C 15 7.095 -7.793 7.463 1.00 10.00 C ATOM 1042 O THR C 15 7.383 -8.936 7.801 1.00 10.00 O ATOM 1043 CB THR C 15 8.413 -6.003 8.724 1.00 10.00 C ATOM 1044 OG1 THR C 15 7.424 -5.029 8.986 1.00 10.00 O ATOM 1045 CG2 THR C 15 9.782 -5.323 8.740 1.00 10.00 C ATOM 0 H THR C 15 7.907 -4.830 6.533 1.00 10.00 H new ATOM 0 HA THR C 15 9.125 -7.276 7.186 1.00 10.00 H new ATOM 0 HB THR C 15 8.346 -6.765 9.501 1.00 10.00 H new ATOM 0 HG1 THR C 15 7.541 -4.272 8.375 1.00 10.00 H new ATOM 0 HG21 THR C 15 9.922 -4.810 9.691 1.00 10.00 H new ATOM 0 HG22 THR C 15 10.562 -6.073 8.614 1.00 10.00 H new ATOM 0 HG23 THR C 15 9.839 -4.600 7.926 1.00 10.00 H new ATOM 1053 N LEU C 16 5.854 -7.461 7.096 1.00 10.00 N ATOM 1054 CA LEU C 16 4.763 -8.427 6.960 1.00 10.00 C ATOM 1055 C LEU C 16 5.123 -9.497 5.925 1.00 10.00 C ATOM 1056 O LEU C 16 5.146 -10.686 6.239 1.00 10.00 O ATOM 1057 CB LEU C 16 3.446 -7.702 6.621 1.00 10.00 C ATOM 1058 CG LEU C 16 2.191 -8.495 7.033 1.00 10.00 C ATOM 1059 CD1 LEU C 16 0.989 -7.548 7.129 1.00 10.00 C ATOM 1060 CD2 LEU C 16 1.850 -9.614 6.040 1.00 10.00 C ATOM 0 H LEU C 16 5.577 -6.503 6.883 1.00 10.00 H new ATOM 0 HA LEU C 16 4.614 -8.939 7.911 1.00 10.00 H new ATOM 0 HB2 LEU C 16 3.434 -6.732 7.119 1.00 10.00 H new ATOM 0 HB3 LEU C 16 3.410 -7.510 5.549 1.00 10.00 H new ATOM 0 HG LEU C 16 2.408 -8.952 7.999 1.00 10.00 H new ATOM 0 HD11 LEU C 16 0.103 -8.113 7.421 1.00 10.00 H new ATOM 0 HD12 LEU C 16 1.191 -6.779 7.874 1.00 10.00 H new ATOM 0 HD13 LEU C 16 0.817 -7.079 6.160 1.00 10.00 H new ATOM 0 HD21 LEU C 16 0.958 -10.141 6.378 1.00 10.00 H new ATOM 0 HD22 LEU C 16 1.666 -9.183 5.056 1.00 10.00 H new ATOM 0 HD23 LEU C 16 2.684 -10.314 5.980 1.00 10.00 H new ATOM 1072 N ARG C 17 5.451 -9.074 4.700 1.00 10.00 N ATOM 1073 CA ARG C 17 5.920 -9.965 3.646 1.00 10.00 C ATOM 1074 C ARG C 17 7.061 -10.863 4.131 1.00 10.00 C ATOM 1075 O ARG C 17 6.993 -12.073 3.965 1.00 10.00 O ATOM 1076 CB ARG C 17 6.360 -9.162 2.416 1.00 10.00 C ATOM 1077 CG ARG C 17 5.166 -8.617 1.630 1.00 10.00 C ATOM 1078 CD ARG C 17 5.680 -7.967 0.341 1.00 10.00 C ATOM 1079 NE ARG C 17 4.573 -7.525 -0.517 1.00 10.00 N ATOM 1080 CZ ARG C 17 3.800 -8.318 -1.264 1.00 10.00 C ATOM 1081 NH1 ARG C 17 3.954 -9.642 -1.271 1.00 10.00 N ATOM 1082 NH2 ARG C 17 2.859 -7.757 -2.016 1.00 10.00 N ATOM 0 H ARG C 17 5.396 -8.096 4.415 1.00 10.00 H new ATOM 0 HA ARG C 17 5.086 -10.609 3.367 1.00 10.00 H new ATOM 0 HB2 ARG C 17 6.995 -8.334 2.732 1.00 10.00 H new ATOM 0 HB3 ARG C 17 6.963 -9.796 1.766 1.00 10.00 H new ATOM 0 HG2 ARG C 17 4.469 -9.422 1.395 1.00 10.00 H new ATOM 0 HG3 ARG C 17 4.621 -7.888 2.229 1.00 10.00 H new ATOM 0 HD2 ARG C 17 6.312 -7.114 0.589 1.00 10.00 H new ATOM 0 HD3 ARG C 17 6.302 -8.678 -0.203 1.00 10.00 H new ATOM 0 HE ARG C 17 4.377 -6.524 -0.545 1.00 10.00 H new ATOM 0 HH11 ARG C 17 4.677 -10.074 -0.696 1.00 10.00 H new ATOM 0 HH12 ARG C 17 3.349 -10.223 -1.852 1.00 10.00 H new ATOM 0 HH21 ARG C 17 2.741 -6.744 -2.013 1.00 10.00 H new ATOM 0 HH22 ARG C 17 2.255 -8.339 -2.596 1.00 10.00 H new ATOM 1096 N LYS C 18 8.107 -10.289 4.734 1.00 10.00 N ATOM 1097 CA LYS C 18 9.242 -11.072 5.221 1.00 10.00 C ATOM 1098 C LYS C 18 8.860 -12.043 6.351 1.00 10.00 C ATOM 1099 O LYS C 18 9.249 -13.208 6.310 1.00 10.00 O ATOM 1100 CB LYS C 18 10.398 -10.144 5.611 1.00 10.00 C ATOM 1101 CG LYS C 18 10.985 -9.391 4.406 1.00 10.00 C ATOM 1102 CD LYS C 18 11.745 -10.321 3.442 1.00 10.00 C ATOM 1103 CE LYS C 18 11.221 -10.218 2.003 1.00 10.00 C ATOM 1104 NZ LYS C 18 9.846 -10.734 1.873 1.00 10.00 N ATOM 0 H LYS C 18 8.189 -9.285 4.895 1.00 10.00 H new ATOM 0 HA LYS C 18 9.579 -11.708 4.402 1.00 10.00 H new ATOM 0 HB2 LYS C 18 10.047 -9.423 6.349 1.00 10.00 H new ATOM 0 HB3 LYS C 18 11.184 -10.730 6.087 1.00 10.00 H new ATOM 0 HG2 LYS C 18 10.180 -8.893 3.866 1.00 10.00 H new ATOM 0 HG3 LYS C 18 11.660 -8.612 4.762 1.00 10.00 H new ATOM 0 HD2 LYS C 18 12.806 -10.071 3.459 1.00 10.00 H new ATOM 0 HD3 LYS C 18 11.655 -11.351 3.787 1.00 10.00 H new ATOM 0 HE2 LYS C 18 11.248 -9.177 1.682 1.00 10.00 H new ATOM 0 HE3 LYS C 18 11.881 -10.774 1.337 1.00 10.00 H new ATOM 0 HZ1 LYS C 18 9.571 -10.739 0.870 1.00 10.00 H new ATOM 0 HZ2 LYS C 18 9.802 -11.703 2.249 1.00 10.00 H new ATOM 0 HZ3 LYS C 18 9.195 -10.125 2.408 1.00 10.00 H new ATOM 1118 N CYS C 19 8.063 -11.609 7.334 1.00 10.00 N ATOM 1119 CA CYS C 19 7.488 -12.498 8.348 1.00 10.00 C ATOM 1120 C CYS C 19 6.725 -13.668 7.703 1.00 10.00 C ATOM 1121 O CYS C 19 6.891 -14.822 8.090 1.00 10.00 O ATOM 1122 CB CYS C 19 6.581 -11.683 9.280 1.00 10.00 C ATOM 1123 SG CYS C 19 5.752 -12.639 10.574 1.00 10.00 S ATOM 0 H CYS C 19 7.799 -10.630 7.448 1.00 10.00 H new ATOM 0 HA CYS C 19 8.296 -12.936 8.934 1.00 10.00 H new ATOM 0 HB2 CYS C 19 7.178 -10.903 9.752 1.00 10.00 H new ATOM 0 HB3 CYS C 19 5.823 -11.183 8.677 1.00 10.00 H new ATOM 0 HG CYS C 19 5.779 -13.902 10.266 1.00 10.00 H new ATOM 1278 N ILE D 7 -3.625 8.903 15.886 1.00 10.00 N ATOM 1279 CA ILE D 7 -2.664 8.413 16.877 1.00 10.00 C ATOM 1280 C ILE D 7 -2.849 6.914 17.161 1.00 10.00 C ATOM 1281 O ILE D 7 -1.867 6.176 17.224 1.00 10.00 O ATOM 1282 CB ILE D 7 -2.630 9.279 18.152 1.00 10.00 C ATOM 1283 CG1 ILE D 7 -3.935 9.226 18.964 1.00 10.00 C ATOM 1284 CG2 ILE D 7 -2.247 10.721 17.785 1.00 10.00 C ATOM 1285 CD1 ILE D 7 -3.860 10.025 20.268 1.00 10.00 C ATOM 0 HA ILE D 7 -1.672 8.517 16.436 1.00 10.00 H new ATOM 0 HB ILE D 7 -1.869 8.860 18.811 1.00 10.00 H new ATOM 0 HG12 ILE D 7 -4.752 9.612 18.354 1.00 10.00 H new ATOM 0 HG13 ILE D 7 -4.172 8.187 19.194 1.00 10.00 H new ATOM 0 HG21 ILE D 7 -2.223 11.332 18.687 1.00 10.00 H new ATOM 0 HG22 ILE D 7 -1.263 10.728 17.316 1.00 10.00 H new ATOM 0 HG23 ILE D 7 -2.983 11.127 17.091 1.00 10.00 H new ATOM 0 HD11 ILE D 7 -4.810 9.949 20.796 1.00 10.00 H new ATOM 0 HD12 ILE D 7 -3.063 9.624 20.895 1.00 10.00 H new ATOM 0 HD13 ILE D 7 -3.653 11.071 20.042 1.00 10.00 H new ATOM 1297 N GLU D 8 -4.097 6.443 17.271 1.00 10.00 N ATOM 1298 CA GLU D 8 -4.410 5.024 17.410 1.00 10.00 C ATOM 1299 C GLU D 8 -3.808 4.206 16.256 1.00 10.00 C ATOM 1300 O GLU D 8 -3.010 3.298 16.487 1.00 10.00 O ATOM 1301 CB GLU D 8 -5.934 4.869 17.530 1.00 10.00 C ATOM 1302 CG GLU D 8 -6.394 3.418 17.770 1.00 10.00 C ATOM 1303 CD GLU D 8 -6.348 2.535 16.523 1.00 10.00 C ATOM 1304 OE1 GLU D 8 -6.942 2.955 15.505 1.00 10.00 O ATOM 1305 OE2 GLU D 8 -5.719 1.460 16.610 1.00 10.00 O ATOM 0 H GLU D 8 -4.921 7.044 17.266 1.00 10.00 H new ATOM 0 HA GLU D 8 -3.955 4.624 18.316 1.00 10.00 H new ATOM 0 HB2 GLU D 8 -6.290 5.493 18.349 1.00 10.00 H new ATOM 0 HB3 GLU D 8 -6.401 5.242 16.619 1.00 10.00 H new ATOM 0 HG2 GLU D 8 -5.766 2.972 18.541 1.00 10.00 H new ATOM 0 HG3 GLU D 8 -7.413 3.430 18.156 1.00 10.00 H new ATOM 1312 N ALA D 9 -4.171 4.532 15.012 1.00 10.00 N ATOM 1313 CA ALA D 9 -3.671 3.834 13.832 1.00 10.00 C ATOM 1314 C ALA D 9 -2.139 3.882 13.744 1.00 10.00 C ATOM 1315 O ALA D 9 -1.513 2.874 13.434 1.00 10.00 O ATOM 1316 CB ALA D 9 -4.327 4.410 12.577 1.00 10.00 C ATOM 0 H ALA D 9 -4.821 5.289 14.798 1.00 10.00 H new ATOM 0 HA ALA D 9 -3.940 2.781 13.915 1.00 10.00 H new ATOM 0 HB1 ALA D 9 -3.952 3.887 11.697 1.00 10.00 H new ATOM 0 HB2 ALA D 9 -5.408 4.284 12.641 1.00 10.00 H new ATOM 0 HB3 ALA D 9 -4.090 5.471 12.497 1.00 10.00 H new ATOM 1322 N ARG D 10 -1.528 5.033 14.043 1.00 10.00 N ATOM 1323 CA ARG D 10 -0.075 5.180 14.121 1.00 10.00 C ATOM 1324 C ARG D 10 0.555 4.247 15.169 1.00 10.00 C ATOM 1325 O ARG D 10 1.492 3.516 14.855 1.00 10.00 O ATOM 1326 CB ARG D 10 0.268 6.655 14.353 1.00 10.00 C ATOM 1327 CG ARG D 10 1.778 6.884 14.514 1.00 10.00 C ATOM 1328 CD ARG D 10 2.114 8.363 14.296 1.00 10.00 C ATOM 1329 NE ARG D 10 2.082 8.689 12.860 1.00 10.00 N ATOM 1330 CZ ARG D 10 1.902 9.895 12.315 1.00 10.00 C ATOM 1331 NH1 ARG D 10 1.684 10.975 13.061 1.00 10.00 N ATOM 1332 NH2 ARG D 10 1.942 10.017 10.993 1.00 10.00 N ATOM 0 H ARG D 10 -2.035 5.896 14.239 1.00 10.00 H new ATOM 0 HA ARG D 10 0.363 4.869 13.173 1.00 10.00 H new ATOM 0 HB2 ARG D 10 -0.100 7.247 13.515 1.00 10.00 H new ATOM 0 HB3 ARG D 10 -0.248 7.010 15.245 1.00 10.00 H new ATOM 0 HG2 ARG D 10 2.096 6.574 15.509 1.00 10.00 H new ATOM 0 HG3 ARG D 10 2.325 6.270 13.799 1.00 10.00 H new ATOM 0 HD2 ARG D 10 1.401 8.988 14.834 1.00 10.00 H new ATOM 0 HD3 ARG D 10 3.101 8.583 14.704 1.00 10.00 H new ATOM 0 HE ARG D 10 2.211 7.911 12.213 1.00 10.00 H new ATOM 0 HH11 ARG D 10 1.651 10.895 14.077 1.00 10.00 H new ATOM 0 HH12 ARG D 10 1.550 11.883 12.617 1.00 10.00 H new ATOM 0 HH21 ARG D 10 2.108 9.197 10.410 1.00 10.00 H new ATOM 0 HH22 ARG D 10 1.806 10.931 10.561 1.00 10.00 H new ATOM 1346 N LYS D 11 0.048 4.247 16.406 1.00 10.00 N ATOM 1347 CA LYS D 11 0.519 3.343 17.457 1.00 10.00 C ATOM 1348 C LYS D 11 0.366 1.869 17.047 1.00 10.00 C ATOM 1349 O LYS D 11 1.318 1.092 17.132 1.00 10.00 O ATOM 1350 CB LYS D 11 -0.231 3.638 18.763 1.00 10.00 C ATOM 1351 CG LYS D 11 0.218 4.972 19.377 1.00 10.00 C ATOM 1352 CD LYS D 11 -0.736 5.441 20.486 1.00 10.00 C ATOM 1353 CE LYS D 11 -0.883 4.439 21.639 1.00 10.00 C ATOM 1354 NZ LYS D 11 0.414 4.137 22.270 1.00 10.00 N ATOM 0 H LYS D 11 -0.699 4.873 16.705 1.00 10.00 H new ATOM 0 HA LYS D 11 1.584 3.517 17.613 1.00 10.00 H new ATOM 0 HB2 LYS D 11 -1.303 3.667 18.570 1.00 10.00 H new ATOM 0 HB3 LYS D 11 -0.057 2.831 19.475 1.00 10.00 H new ATOM 0 HG2 LYS D 11 1.223 4.864 19.784 1.00 10.00 H new ATOM 0 HG3 LYS D 11 0.270 5.732 18.597 1.00 10.00 H new ATOM 0 HD2 LYS D 11 -0.377 6.390 20.885 1.00 10.00 H new ATOM 0 HD3 LYS D 11 -1.718 5.629 20.052 1.00 10.00 H new ATOM 0 HE2 LYS D 11 -1.566 4.843 22.387 1.00 10.00 H new ATOM 0 HE3 LYS D 11 -1.329 3.517 21.265 1.00 10.00 H new ATOM 0 HZ1 LYS D 11 0.264 3.524 23.096 1.00 10.00 H new ATOM 0 HZ2 LYS D 11 1.028 3.651 21.586 1.00 10.00 H new ATOM 0 HZ3 LYS D 11 0.867 5.023 22.574 1.00 10.00 H new ATOM 1368 N TYR D 12 -0.824 1.489 16.575 1.00 10.00 N ATOM 1369 CA TYR D 12 -1.099 0.150 16.062 1.00 10.00 C ATOM 1370 C TYR D 12 -0.116 -0.243 14.949 1.00 10.00 C ATOM 1371 O TYR D 12 0.526 -1.288 15.030 1.00 10.00 O ATOM 1372 CB TYR D 12 -2.555 0.082 15.588 1.00 10.00 C ATOM 1373 CG TYR D 12 -2.956 -1.268 15.026 1.00 10.00 C ATOM 1374 CD1 TYR D 12 -2.773 -1.541 13.658 1.00 10.00 C ATOM 1375 CD2 TYR D 12 -3.459 -2.269 15.877 1.00 10.00 C ATOM 1376 CE1 TYR D 12 -3.121 -2.799 13.137 1.00 10.00 C ATOM 1377 CE2 TYR D 12 -3.793 -3.532 15.356 1.00 10.00 C ATOM 1378 CZ TYR D 12 -3.627 -3.793 13.987 1.00 10.00 C ATOM 1379 OH TYR D 12 -3.946 -5.015 13.483 1.00 10.00 O ATOM 0 H TYR D 12 -1.631 2.112 16.539 1.00 10.00 H new ATOM 0 HA TYR D 12 -0.956 -0.575 16.864 1.00 10.00 H new ATOM 0 HB2 TYR D 12 -3.211 0.326 16.424 1.00 10.00 H new ATOM 0 HB3 TYR D 12 -2.714 0.844 14.825 1.00 10.00 H new ATOM 0 HD1 TYR D 12 -2.364 -0.782 13.007 1.00 10.00 H new ATOM 0 HD2 TYR D 12 -3.589 -2.068 16.930 1.00 10.00 H new ATOM 0 HE1 TYR D 12 -2.999 -3.000 12.083 1.00 10.00 H new ATOM 0 HE2 TYR D 12 -4.177 -4.301 16.010 1.00 10.00 H new ATOM 0 HH TYR D 12 -4.282 -5.588 14.203 1.00 10.00 H new ATOM 1389 N LEU D 13 0.019 0.599 13.920 1.00 10.00 N ATOM 1390 CA LEU D 13 0.978 0.433 12.831 1.00 10.00 C ATOM 1391 C LEU D 13 2.399 0.232 13.369 1.00 10.00 C ATOM 1392 O LEU D 13 3.060 -0.742 13.017 1.00 10.00 O ATOM 1393 CB LEU D 13 0.862 1.637 11.878 1.00 10.00 C ATOM 1394 CG LEU D 13 1.888 1.638 10.729 1.00 10.00 C ATOM 1395 CD1 LEU D 13 1.218 2.079 9.425 1.00 10.00 C ATOM 1396 CD2 LEU D 13 3.059 2.583 11.024 1.00 10.00 C ATOM 0 H LEU D 13 -0.553 1.438 13.822 1.00 10.00 H new ATOM 0 HA LEU D 13 0.747 -0.470 12.266 1.00 10.00 H new ATOM 0 HB2 LEU D 13 -0.142 1.654 11.453 1.00 10.00 H new ATOM 0 HB3 LEU D 13 0.979 2.554 12.455 1.00 10.00 H new ATOM 0 HG LEU D 13 2.270 0.622 10.632 1.00 10.00 H new ATOM 0 HD11 LEU D 13 1.952 2.076 8.620 1.00 10.00 H new ATOM 0 HD12 LEU D 13 0.409 1.391 9.181 1.00 10.00 H new ATOM 0 HD13 LEU D 13 0.815 3.085 9.545 1.00 10.00 H new ATOM 0 HD21 LEU D 13 3.764 2.559 10.193 1.00 10.00 H new ATOM 0 HD22 LEU D 13 2.684 3.598 11.153 1.00 10.00 H new ATOM 0 HD23 LEU D 13 3.563 2.264 11.936 1.00 10.00 H new ATOM 1408 N GLU D 14 2.863 1.127 14.245 1.00 10.00 N ATOM 1409 CA GLU D 14 4.178 1.037 14.868 1.00 10.00 C ATOM 1410 C GLU D 14 4.384 -0.314 15.572 1.00 10.00 C ATOM 1411 O GLU D 14 5.335 -1.036 15.273 1.00 10.00 O ATOM 1412 CB GLU D 14 4.347 2.233 15.815 1.00 10.00 C ATOM 1413 CG GLU D 14 5.745 2.280 16.448 1.00 10.00 C ATOM 1414 CD GLU D 14 5.910 3.507 17.341 1.00 10.00 C ATOM 1415 OE1 GLU D 14 5.383 3.457 18.474 1.00 10.00 O ATOM 1416 OE2 GLU D 14 6.549 4.473 16.871 1.00 10.00 O ATOM 0 H GLU D 14 2.327 1.942 14.542 1.00 10.00 H new ATOM 0 HA GLU D 14 4.954 1.082 14.104 1.00 10.00 H new ATOM 0 HB2 GLU D 14 4.168 3.157 15.266 1.00 10.00 H new ATOM 0 HB3 GLU D 14 3.595 2.179 16.603 1.00 10.00 H new ATOM 0 HG2 GLU D 14 5.911 1.376 17.034 1.00 10.00 H new ATOM 0 HG3 GLU D 14 6.501 2.295 15.663 1.00 10.00 H new ATOM 1423 N GLN D 15 3.490 -0.676 16.497 1.00 10.00 N ATOM 1424 CA GLN D 15 3.583 -1.941 17.222 1.00 10.00 C ATOM 1425 C GLN D 15 3.518 -3.152 16.280 1.00 10.00 C ATOM 1426 O GLN D 15 4.323 -4.076 16.405 1.00 10.00 O ATOM 1427 CB GLN D 15 2.498 -1.993 18.308 1.00 10.00 C ATOM 1428 CG GLN D 15 2.485 -3.308 19.109 1.00 10.00 C ATOM 1429 CD GLN D 15 3.800 -3.618 19.822 1.00 10.00 C ATOM 1430 OE1 GLN D 15 3.976 -3.309 20.992 1.00 10.00 O ATOM 1431 NE2 GLN D 15 4.739 -4.255 19.139 1.00 10.00 N ATOM 0 H GLN D 15 2.688 -0.103 16.761 1.00 10.00 H new ATOM 0 HA GLN D 15 4.559 -1.993 17.706 1.00 10.00 H new ATOM 0 HB2 GLN D 15 2.645 -1.160 18.996 1.00 10.00 H new ATOM 0 HB3 GLN D 15 1.523 -1.853 17.842 1.00 10.00 H new ATOM 0 HG2 GLN D 15 1.685 -3.262 19.848 1.00 10.00 H new ATOM 0 HG3 GLN D 15 2.248 -4.130 18.433 1.00 10.00 H new ATOM 0 HE21 GLN D 15 4.578 -4.506 18.164 1.00 10.00 H new ATOM 0 HE22 GLN D 15 5.623 -4.494 19.588 1.00 10.00 H new ATOM 1440 N LEU D 16 2.568 -3.172 15.344 1.00 10.00 N ATOM 1441 CA LEU D 16 2.424 -4.257 14.379 1.00 10.00 C ATOM 1442 C LEU D 16 3.696 -4.411 13.532 1.00 10.00 C ATOM 1443 O LEU D 16 4.273 -5.494 13.471 1.00 10.00 O ATOM 1444 CB LEU D 16 1.160 -4.023 13.536 1.00 10.00 C ATOM 1445 CG LEU D 16 0.896 -5.111 12.482 1.00 10.00 C ATOM 1446 CD1 LEU D 16 0.869 -6.522 13.082 1.00 10.00 C ATOM 1447 CD2 LEU D 16 -0.457 -4.850 11.812 1.00 10.00 C ATOM 0 H LEU D 16 1.875 -2.432 15.236 1.00 10.00 H new ATOM 0 HA LEU D 16 2.299 -5.205 14.902 1.00 10.00 H new ATOM 0 HB2 LEU D 16 0.299 -3.961 14.202 1.00 10.00 H new ATOM 0 HB3 LEU D 16 1.245 -3.059 13.034 1.00 10.00 H new ATOM 0 HG LEU D 16 1.715 -5.064 11.764 1.00 10.00 H new ATOM 0 HD11 LEU D 16 0.679 -7.249 12.293 1.00 10.00 H new ATOM 0 HD12 LEU D 16 1.830 -6.737 13.550 1.00 10.00 H new ATOM 0 HD13 LEU D 16 0.079 -6.584 13.830 1.00 10.00 H new ATOM 0 HD21 LEU D 16 -0.647 -5.620 11.064 1.00 10.00 H new ATOM 0 HD22 LEU D 16 -1.246 -4.872 12.564 1.00 10.00 H new ATOM 0 HD23 LEU D 16 -0.442 -3.872 11.331 1.00 10.00 H new ATOM 1459 N HIS D 17 4.181 -3.320 12.931 1.00 10.00 N ATOM 1460 CA HIS D 17 5.468 -3.291 12.240 1.00 10.00 C ATOM 1461 C HIS D 17 6.602 -3.835 13.121 1.00 10.00 C ATOM 1462 O HIS D 17 7.342 -4.715 12.689 1.00 10.00 O ATOM 1463 CB HIS D 17 5.770 -1.863 11.779 1.00 10.00 C ATOM 1464 CG HIS D 17 7.142 -1.695 11.175 1.00 10.00 C ATOM 1465 ND1 HIS D 17 7.848 -2.634 10.452 1.00 10.00 N ATOM 1466 CD2 HIS D 17 7.963 -0.614 11.361 1.00 10.00 C ATOM 1467 CE1 HIS D 17 9.063 -2.116 10.206 1.00 10.00 C ATOM 1468 NE2 HIS D 17 9.182 -0.892 10.740 1.00 10.00 N ATOM 0 H HIS D 17 3.686 -2.428 12.912 1.00 10.00 H new ATOM 0 HA HIS D 17 5.404 -3.944 11.369 1.00 10.00 H new ATOM 0 HB2 HIS D 17 5.021 -1.562 11.046 1.00 10.00 H new ATOM 0 HB3 HIS D 17 5.673 -1.188 12.630 1.00 10.00 H new ATOM 0 HD1 HIS D 17 7.510 -3.551 10.159 1.00 10.00 H new ATOM 0 HD2 HIS D 17 7.712 0.292 11.893 1.00 10.00 H new ATOM 0 HE1 HIS D 17 9.841 -2.619 9.651 1.00 10.00 H new ATOM 1476 N ARG D 18 6.741 -3.332 14.351 1.00 10.00 N ATOM 1477 CA ARG D 18 7.760 -3.806 15.285 1.00 10.00 C ATOM 1478 C ARG D 18 7.660 -5.325 15.510 1.00 10.00 C ATOM 1479 O ARG D 18 8.651 -6.043 15.399 1.00 10.00 O ATOM 1480 CB ARG D 18 7.650 -3.039 16.608 1.00 10.00 C ATOM 1481 CG ARG D 18 8.945 -3.137 17.429 1.00 10.00 C ATOM 1482 CD ARG D 18 8.636 -3.349 18.912 1.00 10.00 C ATOM 1483 NE ARG D 18 8.281 -4.755 19.158 1.00 10.00 N ATOM 1484 CZ ARG D 18 7.714 -5.256 20.256 1.00 10.00 C ATOM 1485 NH1 ARG D 18 7.284 -4.473 21.242 1.00 10.00 N ATOM 1486 NH2 ARG D 18 7.573 -6.574 20.340 1.00 10.00 N ATOM 0 H ARG D 18 6.152 -2.588 14.724 1.00 10.00 H new ATOM 0 HA ARG D 18 8.741 -3.615 14.850 1.00 10.00 H new ATOM 0 HB2 ARG D 18 7.426 -1.992 16.404 1.00 10.00 H new ATOM 0 HB3 ARG D 18 6.818 -3.435 17.191 1.00 10.00 H new ATOM 0 HG2 ARG D 18 9.554 -3.962 17.059 1.00 10.00 H new ATOM 0 HG3 ARG D 18 9.531 -2.227 17.302 1.00 10.00 H new ATOM 0 HD2 ARG D 18 9.501 -3.073 19.515 1.00 10.00 H new ATOM 0 HD3 ARG D 18 7.815 -2.700 19.217 1.00 10.00 H new ATOM 0 HE ARG D 18 8.491 -5.416 18.410 1.00 10.00 H new ATOM 0 HH11 ARG D 18 7.384 -3.460 21.170 1.00 10.00 H new ATOM 0 HH12 ARG D 18 6.854 -4.885 22.070 1.00 10.00 H new ATOM 0 HH21 ARG D 18 7.894 -7.171 19.578 1.00 10.00 H new ATOM 0 HH22 ARG D 18 7.143 -6.989 21.167 1.00 10.00 H new ATOM 1500 N LYS D 19 6.454 -5.828 15.783 1.00 10.00 N ATOM 1501 CA LYS D 19 6.194 -7.254 15.959 1.00 10.00 C ATOM 1502 C LYS D 19 6.582 -8.065 14.710 1.00 10.00 C ATOM 1503 O LYS D 19 7.277 -9.075 14.809 1.00 10.00 O ATOM 1504 CB LYS D 19 4.723 -7.443 16.349 1.00 10.00 C ATOM 1505 CG LYS D 19 4.436 -8.883 16.794 1.00 10.00 C ATOM 1506 CD LYS D 19 2.954 -9.091 17.145 1.00 10.00 C ATOM 1507 CE LYS D 19 2.430 -8.153 18.242 1.00 10.00 C ATOM 1508 NZ LYS D 19 3.258 -8.215 19.460 1.00 10.00 N ATOM 0 H LYS D 19 5.622 -5.247 15.889 1.00 10.00 H new ATOM 0 HA LYS D 19 6.821 -7.641 16.762 1.00 10.00 H new ATOM 0 HB2 LYS D 19 4.469 -6.755 17.155 1.00 10.00 H new ATOM 0 HB3 LYS D 19 4.086 -7.190 15.501 1.00 10.00 H new ATOM 0 HG2 LYS D 19 4.721 -9.572 15.999 1.00 10.00 H new ATOM 0 HG3 LYS D 19 5.051 -9.124 17.661 1.00 10.00 H new ATOM 0 HD2 LYS D 19 2.356 -8.949 16.245 1.00 10.00 H new ATOM 0 HD3 LYS D 19 2.809 -10.123 17.465 1.00 10.00 H new ATOM 0 HE2 LYS D 19 2.412 -7.130 17.867 1.00 10.00 H new ATOM 0 HE3 LYS D 19 1.402 -8.420 18.488 1.00 10.00 H new ATOM 0 HZ1 LYS D 19 2.815 -7.647 20.210 1.00 10.00 H new ATOM 0 HZ2 LYS D 19 3.338 -9.203 19.775 1.00 10.00 H new ATOM 0 HZ3 LYS D 19 4.206 -7.839 19.255 1.00 10.00 H new ATOM 1522 N LEU D 20 6.161 -7.621 13.526 1.00 10.00 N ATOM 1523 CA LEU D 20 6.520 -8.259 12.259 1.00 10.00 C ATOM 1524 C LEU D 20 8.033 -8.191 11.985 1.00 10.00 C ATOM 1525 O LEU D 20 8.620 -9.127 11.446 1.00 10.00 O ATOM 1526 CB LEU D 20 5.703 -7.633 11.125 1.00 10.00 C ATOM 1527 CG LEU D 20 4.190 -7.877 11.282 1.00 10.00 C ATOM 1528 CD1 LEU D 20 3.447 -6.940 10.330 1.00 10.00 C ATOM 1529 CD2 LEU D 20 3.802 -9.333 10.998 1.00 10.00 C ATOM 0 H LEU D 20 5.559 -6.805 13.418 1.00 10.00 H new ATOM 0 HA LEU D 20 6.276 -9.320 12.322 1.00 10.00 H new ATOM 0 HB2 LEU D 20 5.893 -6.560 11.094 1.00 10.00 H new ATOM 0 HB3 LEU D 20 6.037 -8.043 10.172 1.00 10.00 H new ATOM 0 HG LEU D 20 3.914 -7.674 12.317 1.00 10.00 H new ATOM 0 HD11 LEU D 20 2.373 -7.099 10.428 1.00 10.00 H new ATOM 0 HD12 LEU D 20 3.685 -5.906 10.578 1.00 10.00 H new ATOM 0 HD13 LEU D 20 3.753 -7.146 9.304 1.00 10.00 H new ATOM 0 HD21 LEU D 20 2.726 -9.454 11.122 1.00 10.00 H new ATOM 0 HD22 LEU D 20 4.081 -9.591 9.976 1.00 10.00 H new ATOM 0 HD23 LEU D 20 4.323 -9.991 11.693 1.00 10.00 H new ATOM 1541 N LYS D 21 8.696 -7.105 12.388 1.00 10.00 N ATOM 1542 CA LYS D 21 10.151 -7.026 12.373 1.00 10.00 C ATOM 1543 C LYS D 21 10.765 -8.079 13.312 1.00 10.00 C ATOM 1544 O LYS D 21 11.639 -8.833 12.896 1.00 10.00 O ATOM 1545 CB LYS D 21 10.585 -5.590 12.697 1.00 10.00 C ATOM 1546 CG LYS D 21 12.082 -5.369 12.443 1.00 10.00 C ATOM 1547 CD LYS D 21 12.413 -3.873 12.325 1.00 10.00 C ATOM 1548 CE LYS D 21 12.037 -3.091 13.588 1.00 10.00 C ATOM 1549 NZ LYS D 21 12.417 -1.674 13.460 1.00 10.00 N ATOM 0 H LYS D 21 8.238 -6.261 12.732 1.00 10.00 H new ATOM 0 HA LYS D 21 10.530 -7.262 11.378 1.00 10.00 H new ATOM 0 HB2 LYS D 21 10.008 -4.892 12.091 1.00 10.00 H new ATOM 0 HB3 LYS D 21 10.358 -5.370 13.740 1.00 10.00 H new ATOM 0 HG2 LYS D 21 12.660 -5.809 13.256 1.00 10.00 H new ATOM 0 HG3 LYS D 21 12.378 -5.882 11.528 1.00 10.00 H new ATOM 0 HD2 LYS D 21 13.479 -3.754 12.131 1.00 10.00 H new ATOM 0 HD3 LYS D 21 11.884 -3.453 11.470 1.00 10.00 H new ATOM 0 HE2 LYS D 21 10.964 -3.170 13.764 1.00 10.00 H new ATOM 0 HE3 LYS D 21 12.535 -3.529 14.453 1.00 10.00 H new ATOM 0 HZ1 LYS D 21 12.153 -1.164 14.327 1.00 10.00 H new ATOM 0 HZ2 LYS D 21 13.444 -1.602 13.315 1.00 10.00 H new ATOM 0 HZ3 LYS D 21 11.923 -1.254 12.647 1.00 10.00 H new ATOM 1563 N ASN D 22 10.277 -8.182 14.556 1.00 10.00 N ATOM 1564 CA ASN D 22 10.693 -9.228 15.498 1.00 10.00 C ATOM 1565 C ASN D 22 10.508 -10.641 14.917 1.00 10.00 C ATOM 1566 O ASN D 22 11.397 -11.480 15.032 1.00 10.00 O ATOM 1567 CB ASN D 22 9.945 -9.113 16.838 1.00 10.00 C ATOM 1568 CG ASN D 22 10.000 -7.743 17.508 1.00 10.00 C ATOM 1569 OD1 ASN D 22 9.038 -7.323 18.141 1.00 10.00 O ATOM 1570 ND2 ASN D 22 11.116 -7.032 17.422 1.00 10.00 N ATOM 0 H ASN D 22 9.581 -7.541 14.937 1.00 10.00 H new ATOM 0 HA ASN D 22 11.757 -9.072 15.676 1.00 10.00 H new ATOM 0 HB2 ASN D 22 8.900 -9.376 16.674 1.00 10.00 H new ATOM 0 HB3 ASN D 22 10.355 -9.851 17.527 1.00 10.00 H new ATOM 0 HD21 ASN D 22 11.180 -6.126 17.885 1.00 10.00 H new ATOM 0 HD22 ASN D 22 11.910 -7.392 16.893 1.00 10.00 H new